smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1(COC(=O)/C=C\Sc2ccccc2)CCOCC1 ZINC000588411839 1082175685 /nfs/dbraw/zinc/17/56/85/1082175685.db2.gz YEILTKCDQMAXFW-WDZFZDKYSA-N 0 0 303.383 3.156 10 30 DGEERN COc1cccc(/C=N\Cc2ncc(-c3ccccc3)cn2)c1O ZINC000588460211 1082349773 /nfs/dbraw/zinc/34/97/73/1082349773.db2.gz LYAOYLILUOARBN-JMIUGGIZSA-N 0 0 319.364 3.477 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000588479259 1082427348 /nfs/dbraw/zinc/42/73/48/1082427348.db2.gz FLQOQMASXMMGCC-JJEJIETFSA-N 0 0 320.348 3.026 10 30 DGEERN Cc1conc1CNc1ccc(C#N)c(Br)c1F ZINC000708371872 1082755498 /nfs/dbraw/zinc/75/54/98/1082755498.db2.gz IYUCIKXFDSLSNM-UHFFFAOYSA-N 0 0 310.126 3.368 10 30 DGEERN Cc1cncc(C=CC(=O)[C@H](C#N)c2cnc3ccccc3n2)c1 ZINC000588587433 1082811703 /nfs/dbraw/zinc/81/17/03/1082811703.db2.gz DXDZKONRRODJJB-IDTUSYRASA-N 0 0 314.348 3.223 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000588587451 1082812143 /nfs/dbraw/zinc/81/21/43/1082812143.db2.gz NDGWISYBRXUPSA-CKXPSTMWSA-N 0 0 314.348 3.223 10 30 DGEERN COc1ccc(OC)c(/C=C\C(=O)c2cc(O)ccc2OC)c1 ZINC000588409739 1083161779 /nfs/dbraw/zinc/16/17/79/1083161779.db2.gz URIJCZYPVDWETF-DAXSKMNVSA-N 0 0 314.337 3.314 10 30 DGEERN N#Cc1ccc2ncc(/C=C3\Cc4ccc(F)cc4C3=O)n2c1 ZINC000176411026 1087728827 /nfs/dbraw/zinc/72/88/27/1087728827.db2.gz QDAWBXCNUPHOPZ-AWNIVKPZSA-N 0 0 303.296 3.167 10 30 DGEERN N#Cc1ccc(Br)cc1N[C@H]1CCCC12OCCO2 ZINC000715908829 1091039253 /nfs/dbraw/zinc/03/92/53/1091039253.db2.gz MSXBYSHVVFVJJS-ZDUSSCGKSA-N 0 0 323.190 3.028 10 30 DGEERN C=CCOc1ccc(CNC(=O)C2(CC(C)=O)CCC2)cc1 ZINC000285770965 1091800028 /nfs/dbraw/zinc/80/00/28/1091800028.db2.gz BXABTUYAMMAATG-UHFFFAOYSA-N 0 0 301.386 3.017 10 30 DGEERN N#Cc1cccc(NC(=O)N2CCC=C(Br)C2)c1 ZINC000404486785 1094259787 /nfs/dbraw/zinc/25/97/87/1094259787.db2.gz XIRDVFNJBYKYNB-UHFFFAOYSA-N 0 0 306.163 3.075 10 30 DGEERN COc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1-c1ccccc1 ZINC000108829072 1094664344 /nfs/dbraw/zinc/66/43/44/1094664344.db2.gz LVDGOVJQESUJTF-QGZVFWFLSA-N 0 0 306.365 3.394 10 30 DGEERN N#Cc1ccc(Br)cc1N1CCC2(C1)CCOCC2 ZINC000311439844 1094958458 /nfs/dbraw/zinc/95/84/58/1094958458.db2.gz IPFZHHCZWDUEAE-UHFFFAOYSA-N 0 0 321.218 3.328 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)cc1 ZINC000081398507 1101702146 /nfs/dbraw/zinc/70/21/46/1101702146.db2.gz UBBQBSDFOWIILQ-CQSZACIVSA-N 0 0 313.422 3.463 10 30 DGEERN Cc1cc(C(=O)N[C@H](C#N)C(C)C)sc1Br ZINC000081754235 1101890715 /nfs/dbraw/zinc/89/07/15/1101890715.db2.gz IUJXDNVAEXDUMN-MRVPVSSYSA-N 0 0 301.209 3.097 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000278273339 214060720 /nfs/dbraw/zinc/06/07/20/214060720.db2.gz AYBXWHVKVOWTPZ-RHSMWYFYSA-N 0 0 317.433 3.388 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000278324350 214090393 /nfs/dbraw/zinc/09/03/93/214090393.db2.gz KEZHRJSILWYZHR-KBAYOESNSA-N 0 0 317.404 3.198 10 30 DGEERN COc1ccc2nc(C3CC3)cc(C(=O)N[C@H](C#N)C3CC3)c2c1 ZINC000129154538 432002017 /nfs/dbraw/zinc/00/20/17/432002017.db2.gz UZHVBISRALIWAS-GOSISDBHSA-N 0 0 321.380 3.153 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000278336743 214098501 /nfs/dbraw/zinc/09/85/01/214098501.db2.gz LQSZOHVBQVOFSN-HZPDHXFCSA-N 0 0 305.393 3.201 10 30 DGEERN C=CCCCCCN(C)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000278361481 214114743 /nfs/dbraw/zinc/11/47/43/214114743.db2.gz ODCZBBSMFMWLRV-UHFFFAOYSA-N 0 0 302.418 3.488 10 30 DGEERN COc1ccc(CSc2nnc(OC(C)C)s2)cc1C#N ZINC000162949401 197602520 /nfs/dbraw/zinc/60/25/20/197602520.db2.gz RQKPHKBFMVPNIT-UHFFFAOYSA-N 0 0 321.427 3.498 10 30 DGEERN COCCN(C[C@H]1CC=CCC1)c1snc(Cl)c1C#N ZINC000302712774 230818121 /nfs/dbraw/zinc/81/81/21/230818121.db2.gz IJXZTRHKFNSWPQ-NSHDSACASA-N 0 0 311.838 3.477 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000278572948 214247222 /nfs/dbraw/zinc/24/72/22/214247222.db2.gz RWSWKTACFBSDAA-ZDUSSCGKSA-N 0 0 306.381 3.193 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000278572942 214247637 /nfs/dbraw/zinc/24/76/37/214247637.db2.gz RWSWKTACFBSDAA-CYBMUJFWSA-N 0 0 306.381 3.193 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C#N)n1C)c1cccc(Cl)c1 ZINC000448663030 529564249 /nfs/dbraw/zinc/56/42/49/529564249.db2.gz FIBAXNONFCATPT-AWEZNQCLSA-N 0 0 301.777 3.431 10 30 DGEERN CC[C@H](C#N)NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000174442918 529583297 /nfs/dbraw/zinc/58/32/97/529583297.db2.gz KPOPBEFVXUKNNH-LJQANCHMSA-N 0 0 321.424 3.107 10 30 DGEERN CCc1ccc(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 ZINC000328630080 529618025 /nfs/dbraw/zinc/61/80/25/529618025.db2.gz PNDSUOTYXMYULR-UKRRQHHQSA-N 0 0 319.430 3.278 10 30 DGEERN CCc1cnccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000180359404 529671901 /nfs/dbraw/zinc/67/19/01/529671901.db2.gz GTHJRLXZDCKJSQ-AWEZNQCLSA-N 0 0 304.353 3.021 10 30 DGEERN CCc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)cc1CC ZINC000190673652 529673437 /nfs/dbraw/zinc/67/34/37/529673437.db2.gz AKMBOJLEKIWWQT-UHFFFAOYSA-N 0 0 321.380 3.260 10 30 DGEERN N#Cc1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)o1 ZINC000092968649 185350535 /nfs/dbraw/zinc/35/05/35/185350535.db2.gz RSOXHMZDEVYECG-INIZCTEOSA-N 0 0 310.353 3.260 10 30 DGEERN CCc1nc(C)c(CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)o1 ZINC000330200264 529721066 /nfs/dbraw/zinc/72/10/66/529721066.db2.gz ACLKGUNQDXNXLC-OAHLLOKOSA-N 0 0 303.406 3.224 10 30 DGEERN CN(CCC1CCOCC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181555277 529878232 /nfs/dbraw/zinc/87/82/32/529878232.db2.gz DUTCKHBTTUFITC-UHFFFAOYSA-N 0 0 312.413 3.130 10 30 DGEERN CN(CCC#N)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155930715 529867635 /nfs/dbraw/zinc/86/76/35/529867635.db2.gz ZEYCLNKAEQOAKC-LLVKDONJSA-N 0 0 321.249 3.123 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000190084553 334943315 /nfs/dbraw/zinc/94/33/15/334943315.db2.gz ZTPJTKOKBWSNEV-CQSZACIVSA-N 0 0 324.428 3.356 10 30 DGEERN CNC(=O)c1ccccc1OCc1ccccc1C(C)(C)C#N ZINC000134026243 529951274 /nfs/dbraw/zinc/95/12/74/529951274.db2.gz LVSWRCVZENZXKE-UHFFFAOYSA-N 0 0 308.381 3.426 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000129927332 432010538 /nfs/dbraw/zinc/01/05/38/432010538.db2.gz BFFFQRDHAZMYER-KDOFPFPSSA-N 0 0 308.381 3.109 10 30 DGEERN COc1ccccc1CCN(C)C(=O)CCc1ccc(C#N)cc1 ZINC000104458068 432017289 /nfs/dbraw/zinc/01/72/89/432017289.db2.gz NJGVQABHTZDSJQ-UHFFFAOYSA-N 0 0 322.408 3.201 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CC[C@H](CNc3ccccn3)C2)c1 ZINC000272561218 209976377 /nfs/dbraw/zinc/97/63/77/209976377.db2.gz SBTOGPMTBFSANI-OAHLLOKOSA-N 0 0 320.396 3.094 10 30 DGEERN CCCC(C#N)(CCC)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000106422135 432021606 /nfs/dbraw/zinc/02/16/06/432021606.db2.gz LBHMBJDZWREAOF-AWEZNQCLSA-N 0 0 313.401 3.304 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277406296 213502889 /nfs/dbraw/zinc/50/28/89/213502889.db2.gz ZTTOGBLBJXPASS-BBRMVZONSA-N 0 0 313.401 3.380 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000279929978 215245887 /nfs/dbraw/zinc/24/58/87/215245887.db2.gz GYSMFQFWHWXCIP-GDBMZVCRSA-N 0 0 311.385 3.305 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000408342858 229622822 /nfs/dbraw/zinc/62/28/22/229622822.db2.gz ZQDWDPGAXBGFBE-TUAOUCFPSA-N 0 0 303.328 3.099 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccnc1OCC(C)C ZINC000170872135 197843343 /nfs/dbraw/zinc/84/33/43/197843343.db2.gz KNLZEHTXZGFPHW-UHFFFAOYSA-N 0 0 316.323 3.307 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000150794566 186066450 /nfs/dbraw/zinc/06/64/50/186066450.db2.gz LQPXUHKLZHHWKU-DLBZAZTESA-N 0 0 312.413 3.368 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000277229198 213381798 /nfs/dbraw/zinc/38/17/98/213381798.db2.gz MRJSQQUBZOCIAW-CYBMUJFWSA-N 0 0 313.319 3.302 10 30 DGEERN C=CCn1c2ccccc2nc1SCc1nnnn1C(C)C ZINC000107077281 432027252 /nfs/dbraw/zinc/02/72/52/432027252.db2.gz FOIOOHZGWLCIQT-UHFFFAOYSA-N 0 0 314.418 3.082 10 30 DGEERN COCc1noc([C@H](C)SCc2ccc(OC)c(C#N)c2)n1 ZINC000182055562 199380212 /nfs/dbraw/zinc/38/02/12/199380212.db2.gz JBSWNXXEIIZZDW-JTQLQIEISA-N 0 0 319.386 3.091 10 30 DGEERN CC(=O)Nc1ccc(NC(=O)N2CCC(C#N)CC2)c(Cl)c1 ZINC000067576183 432032850 /nfs/dbraw/zinc/03/28/50/432032850.db2.gz GZSQJJUZCXTEPY-UHFFFAOYSA-N 0 0 320.780 3.066 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccnc1 ZINC000174230304 198307941 /nfs/dbraw/zinc/30/79/41/198307941.db2.gz QNQWBDBQWPGIIY-CYBMUJFWSA-N 0 0 309.369 3.483 10 30 DGEERN C[C@H](NCc1ccc(C#N)o1)c1cccc(N2CCCC2=O)c1 ZINC000174308780 198318172 /nfs/dbraw/zinc/31/81/72/198318172.db2.gz ZBALKOBFPREHCR-ZDUSSCGKSA-N 0 0 309.369 3.129 10 30 DGEERN O=C1c2ccccc2C(=O)N1/N=C/c1cccc2ccccc12 ZINC000003574349 181036309 /nfs/dbraw/zinc/03/63/09/181036309.db2.gz OYHJBPNTHWIYES-UDWIEESQSA-N 0 0 300.317 3.470 10 30 DGEERN O=C1Nc2ccc(F)c(F)c2[C@@](C#CC2CC2)(C(F)(F)F)N1 ZINC000003982665 181059603 /nfs/dbraw/zinc/05/96/03/181059603.db2.gz QCNJQJJFXFJVCX-ZDUSSCGKSA-N 0 0 316.229 3.271 10 30 DGEERN CCn1c(NC(=O)Cc2ccc(C)s2)nc2cc(C#N)ccc21 ZINC000132020333 432043474 /nfs/dbraw/zinc/04/34/74/432043474.db2.gz VGQTXJQUELSLIZ-UHFFFAOYSA-N 0 0 324.409 3.479 10 30 DGEERN COc1cc(C=NNc2ccc(F)cc2F)cc(OC)c1O ZINC000004919619 181173155 /nfs/dbraw/zinc/17/31/55/181173155.db2.gz CTCQKFMVJCBTET-QGMBQPNBSA-N 0 0 308.284 3.134 10 30 DGEERN N#Cc1c(N)sc2c1CCN(c1ccnc3ccsc31)C2 ZINC000301528536 283078518 /nfs/dbraw/zinc/07/85/18/283078518.db2.gz OHNSBGMAMGDQGL-UHFFFAOYSA-N 0 0 312.423 3.374 10 30 DGEERN CC(C)(C)c1ccc(OCC(=O)NC2(C#N)CCCC2)cc1 ZINC000004957816 181179695 /nfs/dbraw/zinc/17/96/95/181179695.db2.gz FTLUVCOTTYDAAS-UHFFFAOYSA-N 0 0 300.402 3.315 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000183767448 199640661 /nfs/dbraw/zinc/64/06/61/199640661.db2.gz BTZSOFDSHKGUJA-CYBMUJFWSA-N 0 0 324.428 3.238 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCSc4ccncc43)CC2)cc1 ZINC000191963567 283136950 /nfs/dbraw/zinc/13/69/50/283136950.db2.gz XBEAYPTUYSHRRE-UHFFFAOYSA-N 0 0 321.405 3.124 10 30 DGEERN CCOC(=O)c1ccccc1N[C@@H](C=O)c1ccc(OC)cc1 ZINC000005332641 181230193 /nfs/dbraw/zinc/23/01/93/181230193.db2.gz HITKDFRPJSXXNJ-KRWDZBQOSA-N 0 0 313.353 3.224 10 30 DGEERN N#Cc1ccc(N2CCC(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000171632012 283153388 /nfs/dbraw/zinc/15/33/88/283153388.db2.gz WMXYWKNYEYGBRX-UHFFFAOYSA-N 0 0 322.368 3.321 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000081547520 192287846 /nfs/dbraw/zinc/28/78/46/192287846.db2.gz PHZVSSRLHDDIDL-GDBMZVCRSA-N 0 0 307.397 3.223 10 30 DGEERN N#Cc1nc(N[C@H]2CCCc3sccc32)ccc1[N+](=O)[O-] ZINC000236416654 283251605 /nfs/dbraw/zinc/25/16/05/283251605.db2.gz XQYNFBKRDASNET-JTQLQIEISA-N 0 0 300.343 3.412 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000179384017 199026085 /nfs/dbraw/zinc/02/60/85/199026085.db2.gz YXJWODGRKXOYAG-JTQLQIEISA-N 0 0 320.336 3.185 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CC(C)C ZINC000185186982 199820824 /nfs/dbraw/zinc/82/08/24/199820824.db2.gz WGWQZXFHLIXPLE-HNNXBMFYSA-N 0 0 302.418 3.215 10 30 DGEERN N#Cc1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1F ZINC000180674772 199195204 /nfs/dbraw/zinc/19/52/04/199195204.db2.gz SUUHLBVAXWRVCT-HNNXBMFYSA-N 0 0 313.336 3.180 10 30 DGEERN N#Cc1c(N)cccc1[S@](=O)c1cccc(C(F)(F)F)c1 ZINC000005933137 181297702 /nfs/dbraw/zinc/29/77/02/181297702.db2.gz YBZQARFSHDUPFY-NRFANRHFSA-N 0 0 310.300 3.326 10 30 DGEERN C[C@H]1CN(Cc2ccc(C#N)cc2Br)CCS1 ZINC000181084762 199250514 /nfs/dbraw/zinc/25/05/14/199250514.db2.gz UOSUBAZNZXIYLR-JTQLQIEISA-N 0 0 311.248 3.258 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1 ZINC000180492541 432088631 /nfs/dbraw/zinc/08/86/31/432088631.db2.gz IFWKLQFMYMBGKF-UHFFFAOYSA-N 0 0 306.369 3.101 10 30 DGEERN C=CCC[C@H](O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000246074396 432090267 /nfs/dbraw/zinc/09/02/67/432090267.db2.gz YORULNYLQXOQMS-UONOGXRCSA-N 0 0 324.490 3.141 10 30 DGEERN COc1ccc(COCCCNc2ccc(C)c(C#N)n2)cc1 ZINC000189805007 432091809 /nfs/dbraw/zinc/09/18/09/432091809.db2.gz OPLODJFTOZWEEJ-UHFFFAOYSA-N 0 0 311.385 3.289 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000436005951 238381918 /nfs/dbraw/zinc/38/19/18/238381918.db2.gz MHSPJLZUDHJLQI-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000436014309 238383634 /nfs/dbraw/zinc/38/36/34/238383634.db2.gz FDBOXHGPCNRPNH-WDEREUQCSA-N 0 0 317.270 3.113 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000436029342 238385165 /nfs/dbraw/zinc/38/51/65/238385165.db2.gz RPZXSLXFCVACKL-UHFFFAOYSA-N 0 0 324.321 3.328 10 30 DGEERN Cc1oc(C#N)cc1C(=O)NCc1ccccc1OC(F)(F)F ZINC000436081746 238394534 /nfs/dbraw/zinc/39/45/34/238394534.db2.gz ILJYWDKCNGBTJM-UHFFFAOYSA-N 0 0 324.258 3.288 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)ccn1 ZINC000193163412 201000365 /nfs/dbraw/zinc/00/03/65/201000365.db2.gz NIBBDIHVPSOUQZ-QGZVFWFLSA-N 0 0 309.344 3.364 10 30 DGEERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccnc(C#N)c1 ZINC000193308856 201025904 /nfs/dbraw/zinc/02/59/04/201025904.db2.gz AONOROHWGAABGL-WFASDCNBSA-N 0 0 309.344 3.111 10 30 DGEERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccnc(C#N)c1 ZINC000193308843 201026104 /nfs/dbraw/zinc/02/61/04/201026104.db2.gz AONOROHWGAABGL-DOMZBBRYSA-N 0 0 309.344 3.111 10 30 DGEERN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193367854 201039842 /nfs/dbraw/zinc/03/98/42/201039842.db2.gz GRLKHJKEDLLBGP-YVEFUNNKSA-N 0 0 309.344 3.316 10 30 DGEERN Cc1cc(C)cc(C2=CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000193738315 201114371 /nfs/dbraw/zinc/11/43/71/201114371.db2.gz GUFGIWAGBUMMCL-UHFFFAOYSA-N 0 0 317.392 3.500 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)ccn1 ZINC000194086021 201175949 /nfs/dbraw/zinc/17/59/49/201175949.db2.gz DFHXIQZACDZUNL-NVXWUHKLSA-N 0 0 305.381 3.094 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)c(F)c1 ZINC000189871072 432098312 /nfs/dbraw/zinc/09/83/12/432098312.db2.gz WMJOAKFVXJJLMJ-SECBINFHSA-N 0 0 302.280 3.033 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1cccc(Cl)c1 ZINC000189860021 432099122 /nfs/dbraw/zinc/09/91/22/432099122.db2.gz SAVNKPBKGNNGIA-SNVBAGLBSA-N 0 0 300.745 3.408 10 30 DGEERN CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C#N)n1C ZINC000448612777 239816594 /nfs/dbraw/zinc/81/65/94/239816594.db2.gz SJLHLGAQYDBUPS-UHFFFAOYSA-N 0 0 321.380 3.478 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C(=O)OC ZINC000189911529 432105045 /nfs/dbraw/zinc/10/50/45/432105045.db2.gz SURYMSAHGLJZCV-LSDHHAIUSA-N 0 0 301.386 3.286 10 30 DGEERN C=CCC[C@@H](NCc1cc(-c2ccccc2)n[nH]1)C(=O)OCC ZINC000449660180 240348386 /nfs/dbraw/zinc/34/83/86/240348386.db2.gz XGXFZUQOKPTSNH-MRXNPFEDSA-N 0 0 313.401 3.064 10 30 DGEERN N#CCCN(CC(F)(F)F)C(=O)Cc1cnc2ccccc2c1 ZINC000189958883 432108393 /nfs/dbraw/zinc/10/83/93/432108393.db2.gz XHARMHCPIZUBQV-UHFFFAOYSA-N 0 0 321.302 3.082 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCC1 ZINC000451206000 241046261 /nfs/dbraw/zinc/04/62/61/241046261.db2.gz ZVRLBHFJIQQAKV-CHWSQXEVSA-N 0 0 319.367 3.285 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000451273123 241065755 /nfs/dbraw/zinc/06/57/55/241065755.db2.gz DDHGGUKTLBVMEI-CVEARBPZSA-N 0 0 303.377 3.065 10 30 DGEERN C[C@]1(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000184008391 291367695 /nfs/dbraw/zinc/36/76/95/291367695.db2.gz BTJHSFAEOYPKPK-CABCVRRESA-N 0 0 323.223 3.138 10 30 DGEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000452049841 241306773 /nfs/dbraw/zinc/30/67/73/241306773.db2.gz JHGYXIPVLUOJHT-CQSZACIVSA-N 0 0 301.358 3.008 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000081151879 283910966 /nfs/dbraw/zinc/91/09/66/283910966.db2.gz OXUYRESRIHKYRN-UHFFFAOYSA-N 0 0 311.238 3.307 10 30 DGEERN C=C(C)Cn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453471780 241798949 /nfs/dbraw/zinc/79/89/49/241798949.db2.gz UWQODIWVOIVNMB-CRAIPNDOSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@H]1COCC1(C)C)c1ccccc1 ZINC000454706539 242015060 /nfs/dbraw/zinc/01/50/60/242015060.db2.gz ZDAAXHMTBXQAIK-HOTGVXAUSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000455283540 242156776 /nfs/dbraw/zinc/15/67/76/242156776.db2.gz OOJFWZUQZAOVEH-UHFFFAOYSA-N 0 0 313.401 3.262 10 30 DGEERN C=C(C)CCNC(=O)N1CC=C(c2cccc(OC)c2)CC1 ZINC000455304057 242163861 /nfs/dbraw/zinc/16/38/61/242163861.db2.gz BOIILLNBKQFTEU-UHFFFAOYSA-N 0 0 300.402 3.460 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000455326002 242170784 /nfs/dbraw/zinc/17/07/84/242170784.db2.gz NYMGEHXDSNFBGG-SFHVURJKSA-N 0 0 300.402 3.184 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCCc1ncccc1C ZINC000455365462 242181329 /nfs/dbraw/zinc/18/13/29/242181329.db2.gz HHGSLBGOEIAFAM-UHFFFAOYSA-N 0 0 315.442 3.392 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(CC(F)F)C[C@@H](C)O ZINC000455387025 242187118 /nfs/dbraw/zinc/18/71/18/242187118.db2.gz RRHJIUCRDILUEU-GFCCVEGCSA-N 0 0 312.360 3.285 10 30 DGEERN C=C(C)CCNC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000455449477 242202136 /nfs/dbraw/zinc/20/21/36/242202136.db2.gz PQIISGWGKZEZMX-UHFFFAOYSA-N 0 0 301.346 3.042 10 30 DGEERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455907257 242308823 /nfs/dbraw/zinc/30/88/23/242308823.db2.gz PFORXBYWIVXQPN-QGZVFWFLSA-N 0 0 323.400 3.245 10 30 DGEERN N#CCc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000455936567 242315481 /nfs/dbraw/zinc/31/54/81/242315481.db2.gz CRQAMBMCVGYLME-UHFFFAOYSA-N 0 0 320.396 3.107 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)N2CCCC[C@H]2c2ccnn2C)c1 ZINC000455953982 242316836 /nfs/dbraw/zinc/31/68/36/242316836.db2.gz LLXTVZWOSVJSPJ-KRWDZBQOSA-N 0 0 323.400 3.359 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCCc1cc(F)ccc1F ZINC000456271270 242396878 /nfs/dbraw/zinc/39/68/78/242396878.db2.gz XGPJCQJTQUFDOB-CVEARBPZSA-N 0 0 309.356 3.137 10 30 DGEERN C=CCC[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)OCC ZINC000456626192 242509987 /nfs/dbraw/zinc/50/99/87/242509987.db2.gz LBRHCKFDZIAHTC-MWWKQMNYSA-N 0 0 319.376 3.243 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccccc3-n3cccn3)n2c1 ZINC000092137952 193166806 /nfs/dbraw/zinc/16/68/06/193166806.db2.gz LZAHIKLPUXIGSN-UHFFFAOYSA-N 0 0 314.352 3.004 10 30 DGEERN C[C@@H]1CCSCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000190042552 432117072 /nfs/dbraw/zinc/11/70/72/432117072.db2.gz PKSQIWOULIFGQH-CYBMUJFWSA-N 0 0 300.427 3.209 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000458329115 243033314 /nfs/dbraw/zinc/03/33/14/243033314.db2.gz YJVKAQCGBVXZHW-CYBMUJFWSA-N 0 0 306.381 3.203 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NC1(C2(C)CC2)CC1 ZINC000458377640 243043048 /nfs/dbraw/zinc/04/30/48/243043048.db2.gz LYUXQNVCYAFQGH-UHFFFAOYSA-N 0 0 300.402 3.383 10 30 DGEERN CC#CCN(C)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000458624950 243106744 /nfs/dbraw/zinc/10/67/44/243106744.db2.gz SHODCVBTMFNHDO-AWEZNQCLSA-N 0 0 306.793 3.218 10 30 DGEERN CC#CCN(C)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000458642728 243112741 /nfs/dbraw/zinc/11/27/41/243112741.db2.gz HZTQRWAKSJQIQD-INIZCTEOSA-N 0 0 314.433 3.040 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000458736373 243143108 /nfs/dbraw/zinc/14/31/08/243143108.db2.gz ODRJVGPUHAGSQE-CYBMUJFWSA-N 0 0 318.352 3.030 10 30 DGEERN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)CC1 ZINC000460291119 243539469 /nfs/dbraw/zinc/53/94/69/243539469.db2.gz TVCKDONJLYCKFM-CQSZACIVSA-N 0 0 309.417 3.463 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000022060339 291446283 /nfs/dbraw/zinc/44/62/83/291446283.db2.gz WVAMBAWFDOYFOD-BMSLSITRSA-N 0 0 302.414 3.058 10 30 in-vitro DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC1(C)CC1 ZINC000472240803 244292187 /nfs/dbraw/zinc/29/21/87/244292187.db2.gz LNDQOKWCEFDHOU-UHFFFAOYSA-N 0 0 317.389 3.483 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C#N)[C@H](C)C2 ZINC000181255125 432120784 /nfs/dbraw/zinc/12/07/84/432120784.db2.gz PNLREFNVCCAELQ-JLTOFOAXSA-N 0 0 320.392 3.295 10 30 DGEERN CC(C)CC1(C(=O)NCCOc2ccc(C#N)cc2)CCC1 ZINC000123554431 284240439 /nfs/dbraw/zinc/24/04/39/284240439.db2.gz CIINGPOFLNVMTP-UHFFFAOYSA-N 0 0 300.402 3.270 10 30 DGEERN C=CCSCCNC(=O)NCc1ccc(C2CC2)cc1F ZINC000488526201 245205683 /nfs/dbraw/zinc/20/56/83/245205683.db2.gz APCICYPWZSAUFH-UHFFFAOYSA-N 0 0 308.422 3.422 10 30 DGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488990396 245258640 /nfs/dbraw/zinc/25/86/40/245258640.db2.gz ZYOGKVJMVWCTSO-YPMHNXCESA-N 0 0 308.328 3.020 10 30 DGEERN C=CCCOCCCCC(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000488928838 245247989 /nfs/dbraw/zinc/24/79/89/245247989.db2.gz BMGUAKHEAGXQGP-UHFFFAOYSA-N 0 0 305.353 3.404 10 30 DGEERN CC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 ZINC000012241486 181743333 /nfs/dbraw/zinc/74/33/33/181743333.db2.gz BSOUFDSOLRQMKY-UHFFFAOYSA-N 0 0 319.368 3.176 10 30 DGEERN Cc1cccc2c1N(C(=O)[C@H](C)Oc1ccccc1C#N)CC2 ZINC000125502588 284277296 /nfs/dbraw/zinc/27/72/96/284277296.db2.gz WLXUDVHRAJTFCU-AWEZNQCLSA-N 0 0 306.365 3.223 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000125975503 284289695 /nfs/dbraw/zinc/28/96/95/284289695.db2.gz PTMAWAXUXBXJQQ-ZDUSSCGKSA-N 0 0 312.344 3.203 10 30 DGEERN CC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000015542260 182006018 /nfs/dbraw/zinc/00/60/18/182006018.db2.gz UHVAWAMHVWHEDS-UHFFFAOYSA-N 0 0 313.744 3.422 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000274651252 211793874 /nfs/dbraw/zinc/79/38/74/211793874.db2.gz VANVTNHMWULJBA-GDBMZVCRSA-N 0 0 303.402 3.052 10 30 DGEERN N/C(=N\O)NN=Cc1c2ccccc2c(Cl)c2ccccc12 ZINC000017191706 182079263 /nfs/dbraw/zinc/07/92/63/182079263.db2.gz FCVGMMMRBFYCTL-DJKKODMXSA-N 0 0 312.760 3.274 10 30 DGEERN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3C3(CCCC3)C12 ZINC000017055342 182073017 /nfs/dbraw/zinc/07/30/17/182073017.db2.gz KHQUPHDVCPTDKM-CQSZACIVSA-N 0 0 320.396 3.374 10 30 DGEERN CO/N=C/c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000017696862 182085230 /nfs/dbraw/zinc/08/52/30/182085230.db2.gz BDASCLNSERQZPD-LICLKQGHSA-N 0 0 316.313 3.163 10 30 DGEERN N/C(CCOc1ccc2cc(Br)ccc2c1)=N\O ZINC000019424893 182122628 /nfs/dbraw/zinc/12/26/28/182122628.db2.gz XEURAWJWFYNXEF-UHFFFAOYSA-N 0 0 309.163 3.118 10 30 DGEERN N/C(=N\O)c1cccc(OCc2ccc(Br)cc2)c1 ZINC000019519829 182127115 /nfs/dbraw/zinc/12/71/15/182127115.db2.gz PYVDUIUHHLIVHD-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN CCc1nccn1[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000160112652 197385989 /nfs/dbraw/zinc/38/59/89/197385989.db2.gz KAVIMKMTVGPTLG-KRWDZBQOSA-N 0 0 312.392 3.293 10 30 DGEERN Cc1cccc(OCCN(C)C(=O)c2ccc(C#N)cc2C)c1 ZINC000160094580 197385270 /nfs/dbraw/zinc/38/52/70/197385270.db2.gz CLAXFPHEONNDOR-UHFFFAOYSA-N 0 0 308.381 3.326 10 30 DGEERN Cc1cc(C(=O)NCCOc2ccc(C#N)cc2)cc(C)c1F ZINC000134752951 284450754 /nfs/dbraw/zinc/45/07/54/284450754.db2.gz DFZICNAZFHNQNA-UHFFFAOYSA-N 0 0 312.344 3.123 10 30 DGEERN C=CC[C@@H](C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000190245054 432134925 /nfs/dbraw/zinc/13/49/25/432134925.db2.gz XGNXNPMGOUGPOC-RBUKOAKNSA-N 0 0 309.409 3.066 10 30 DGEERN CCC[C@@H](C)NC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135348910 284472581 /nfs/dbraw/zinc/47/25/81/284472581.db2.gz ZTLJZGLSUDGFLN-OLZOCXBDSA-N 0 0 320.458 3.493 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccc(N)cc2)cc(OC)c1OC ZINC000098089079 193784543 /nfs/dbraw/zinc/78/45/43/193784543.db2.gz HORVIDXMQQVQAS-WTKPLQERSA-N 0 0 313.353 3.191 10 30 DGEERN N#Cc1ccc(-n2ccc(NC(=O)/C=C/c3ccccc3)n2)cc1 ZINC000034909396 182743326 /nfs/dbraw/zinc/74/33/26/182743326.db2.gz VNWPZJITPJOEFU-DHZHZOJOSA-N 0 0 314.348 3.396 10 30 DGEERN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040279748 183050527 /nfs/dbraw/zinc/05/05/27/183050527.db2.gz CEUSKCWXMVKGQC-UHFFFAOYSA-N 0 0 321.380 3.161 10 30 DGEERN C#CCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040277186 183050856 /nfs/dbraw/zinc/05/08/56/183050856.db2.gz MYWHHCBWEVFWMD-UHFFFAOYSA-N 0 0 323.783 3.253 10 30 DGEERN C=CCNc1ncnc(Nc2nc3ccc(C)cc3s2)c1N ZINC000040709019 183120967 /nfs/dbraw/zinc/12/09/67/183120967.db2.gz RGQSHQRHCYAKFU-UHFFFAOYSA-N 0 0 312.402 3.318 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H]2CCc3cc(F)c(F)c(F)c32)n1 ZINC000450831685 291677453 /nfs/dbraw/zinc/67/74/53/291677453.db2.gz GSWBVVRLMVMSNO-LLVKDONJSA-N 0 0 304.275 3.173 10 30 DGEERN C=CCNC(=O)CCCOc1ccc(C)cc1Br ZINC000040942194 183150004 /nfs/dbraw/zinc/15/00/04/183150004.db2.gz WVURBRNQVYTZQP-UHFFFAOYSA-N 0 0 312.207 3.219 10 30 DGEERN N#CCCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000042301587 183251338 /nfs/dbraw/zinc/25/13/38/183251338.db2.gz WMEUVLQTFOFNAJ-UHFFFAOYSA-N 0 0 319.213 3.060 10 30 DGEERN CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1cccc2ccccc21 ZINC000190378673 432149985 /nfs/dbraw/zinc/14/99/85/432149985.db2.gz BQQONTOJCWTKGF-QGZVFWFLSA-N 0 0 314.410 3.153 10 30 DGEERN CC(C)N(CC/C(N)=N/O)Cc1ccc(Cl)cc1Cl ZINC000042529036 183281103 /nfs/dbraw/zinc/28/11/03/183281103.db2.gz SZLFXUUIXOKOLQ-UHFFFAOYSA-N 0 0 304.221 3.340 10 30 DGEERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000159561899 197361844 /nfs/dbraw/zinc/36/18/44/197361844.db2.gz YHGQQBLVTIWVPW-JSGCOSHPSA-N 0 0 306.431 3.426 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3sccc3C#N)c2)no1 ZINC000052033027 183848328 /nfs/dbraw/zinc/84/83/28/183848328.db2.gz IARHLRYCKARPOO-UHFFFAOYSA-N 0 0 310.338 3.231 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N/N=C2\C[C@H]3C=CC[C@@H]23)cc1 ZINC000058978868 184132829 /nfs/dbraw/zinc/13/28/29/184132829.db2.gz RUJXQYGKFDZVAC-IBROELNMSA-N 0 0 318.442 3.214 10 30 DGEERN CCCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061890805 184192946 /nfs/dbraw/zinc/19/29/46/184192946.db2.gz JKHHAAULZAFDRG-JQWIXIFHSA-N 0 0 324.222 3.083 10 30 DGEERN Cc1cc(Br)ccc1OCCCC/C(N)=N/O ZINC000063062044 184268773 /nfs/dbraw/zinc/26/87/73/184268773.db2.gz UVSHDUPJNNDEBY-UHFFFAOYSA-N 0 0 301.184 3.053 10 30 DGEERN N#Cc1ccccc1OCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114439303 194656586 /nfs/dbraw/zinc/65/65/86/194656586.db2.gz FKNPCJHPRTYHSN-LJQANCHMSA-N 0 0 310.397 3.286 10 30 DGEERN CCCc1cc(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)n[nH]1 ZINC000193998219 207638302 /nfs/dbraw/zinc/63/83/02/207638302.db2.gz KXSCERPKIOMVDF-UHFFFAOYSA-N 0 0 314.393 3.434 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 ZINC000174311387 252672110 /nfs/dbraw/zinc/67/21/10/252672110.db2.gz FZAVUDBRZOSZKL-CQSZACIVSA-N 0 0 309.369 3.285 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000119547908 194992732 /nfs/dbraw/zinc/99/27/32/194992732.db2.gz PVPLUPHWRHPIEP-BEFAXECRSA-N 0 0 320.392 3.469 10 30 DGEERN C=C(C)[C@H](CC(=O)NCc1ccc(OCC)c(F)c1)OCC ZINC000270016130 208068562 /nfs/dbraw/zinc/06/85/62/208068562.db2.gz CHUTVVCIOFKWTP-INIZCTEOSA-N 0 0 309.381 3.212 10 30 DGEERN CCC1(CC)CN([C@H](C)c2cccc(C#N)c2)CC[S@]1=O ZINC000249404887 285072332 /nfs/dbraw/zinc/07/23/32/285072332.db2.gz WDODHFQPKVAMKJ-SPLOXXLWSA-N 0 0 304.459 3.242 10 30 DGEERN C=CCCOCCNC(=O)N1CCC(n2c(C)ccc2C)CC1 ZINC000270212100 208277555 /nfs/dbraw/zinc/27/75/55/208277555.db2.gz GFJLBGDFRBRTAZ-UHFFFAOYSA-N 0 0 319.449 3.044 10 30 DGEERN CSc1nsc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000181878505 533095466 /nfs/dbraw/zinc/09/54/66/533095466.db2.gz DPDKWJRYPXFMGL-UHFFFAOYSA-N 0 0 316.411 3.067 10 30 DGEERN Fc1ccc(C#CCN2CCO[C@H](c3cccs3)C2)cc1 ZINC000156979414 197153821 /nfs/dbraw/zinc/15/38/21/197153821.db2.gz GAGJIPYGJQVGDA-INIZCTEOSA-N 0 0 301.386 3.312 10 30 DGEERN C=CCN(C(=O)NCCCCOCc1ccccc1)C1CC1 ZINC000271548613 209003892 /nfs/dbraw/zinc/00/38/92/209003892.db2.gz LYHANCSUNMKTTM-UHFFFAOYSA-N 0 0 302.418 3.343 10 30 DGEERN C#CCOc1ccc(C(=O)N(CC)[C@H](C)c2cccnc2)cc1 ZINC000156097832 197086850 /nfs/dbraw/zinc/08/68/50/197086850.db2.gz VXDBCANJSGOJGO-OAHLLOKOSA-N 0 0 308.381 3.317 10 30 DGEERN C[C@@H](C#N)Oc1ccc(CNc2cccc3c2OCC[C@H]3O)cc1 ZINC000184061612 533162115 /nfs/dbraw/zinc/16/21/15/533162115.db2.gz NLXMQBHPODIKMQ-SCLBCKFNSA-N 0 0 324.380 3.405 10 30 DGEERN C#CCCCCNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000154903602 197003401 /nfs/dbraw/zinc/00/34/01/197003401.db2.gz XGYATZBADBVHMX-RHSMWYFYSA-N 0 0 318.392 3.101 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000155016876 197014228 /nfs/dbraw/zinc/01/42/28/197014228.db2.gz SRCVXUXWBCLWEB-ROUUACIJSA-N 0 0 314.429 3.088 10 30 DGEERN CC(=O)C(C=Nc1ccc(F)cc1F)C(=O)Nc1ccccc1 ZINC000100068157 257121099 /nfs/dbraw/zinc/12/10/99/257121099.db2.gz ZOLSKZUJUXLTPD-GXDHUFHOSA-N 0 0 316.307 3.488 10 30 DGEERN C[C@]12CC[C@@H]3[C@H](C[C@@]4(CO4)C4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000503943453 257151976 /nfs/dbraw/zinc/15/19/76/257151976.db2.gz GFNJDRLFFJDJAC-FFCBISMGSA-N 0 0 312.409 3.242 10 30 DGEERN CCc1cnccc1C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000121958551 195381210 /nfs/dbraw/zinc/38/12/10/195381210.db2.gz ZDPXWRJRIQNCJC-UHFFFAOYSA-N 0 0 306.369 3.042 10 30 DGEERN C=C(C)CCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000455303356 533486925 /nfs/dbraw/zinc/48/69/25/533486925.db2.gz AROYSMFDFAILQA-UHFFFAOYSA-N 0 0 323.234 3.483 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC(C)(OCC)C2)c1 ZINC000454667102 533519444 /nfs/dbraw/zinc/51/94/44/533519444.db2.gz IRBXJYVCYXEBQI-UHFFFAOYSA-N 0 0 304.390 3.284 10 30 DGEERN COc1ccccc1S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC000163814258 132124232 /nfs/dbraw/zinc/12/42/32/132124232.db2.gz XKARDCFJRYVLDG-UHFFFAOYSA-N 0 0 321.785 3.194 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CCn2cnc3ccccc3c2=O)no1 ZINC000289870624 335066663 /nfs/dbraw/zinc/06/66/63/335066663.db2.gz VCSWEQMVDRPRSC-ZDUSSCGKSA-N 0 0 324.384 3.092 10 30 DGEERN CCOC(=O)c1sc(N=NCc2ccccc2OC)nc1C ZINC000005598493 400088367 /nfs/dbraw/zinc/08/83/67/400088367.db2.gz CUPBWDNKKNQTTI-CXUHLZMHSA-N 0 0 319.386 3.083 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000066522935 400095725 /nfs/dbraw/zinc/09/57/25/400095725.db2.gz RGYVLPGSMRVLTC-OLZOCXBDSA-N 0 0 301.390 3.111 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000584850640 400116658 /nfs/dbraw/zinc/11/66/58/400116658.db2.gz PYRHHOWGIZLNFN-HNNXBMFYSA-N 0 0 302.418 3.069 10 30 DGEERN CN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)C1(C#N)CCC1 ZINC000066321487 400079107 /nfs/dbraw/zinc/07/91/07/400079107.db2.gz SIMKMPLISHZEFH-UHFFFAOYSA-N 0 0 314.776 3.044 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccccc3NC(=O)C2)CCCCC1 ZINC000581617158 400081392 /nfs/dbraw/zinc/08/13/92/400081392.db2.gz KKSDTQOQVLFNEF-UHFFFAOYSA-N 0 0 312.413 3.494 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H]2CCc3cccc(O)c32)cc1 ZINC000581683054 400082009 /nfs/dbraw/zinc/08/20/09/400082009.db2.gz ZAYJPTWCFOKHKZ-QGZVFWFLSA-N 0 0 323.392 3.303 10 30 DGEERN C=C/C(C)=C\CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600477734 400083166 /nfs/dbraw/zinc/08/31/66/400083166.db2.gz USWFMUPPFSWLLI-TVPGTPATSA-N 0 0 310.397 3.203 10 30 DGEERN Cc1cc(C#N)nc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000587607657 400174377 /nfs/dbraw/zinc/17/43/77/400174377.db2.gz OEQAFWAGSNUBBN-AEFFLSMTSA-N 0 0 322.412 3.261 10 30 DGEERN C[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccsc1 ZINC000328619089 400182156 /nfs/dbraw/zinc/18/21/56/400182156.db2.gz FJUMEKAVGDTTFZ-BYCMXARLSA-N 0 0 319.430 3.319 10 30 DGEERN Cc1cc(C)n(CC(=O)NC[C@@H]2CCCc3sc(C)nc32)n1 ZINC000328625965 400182262 /nfs/dbraw/zinc/18/22/62/400182262.db2.gz LFYIUYQFMFLOMZ-ZDUSSCGKSA-N 0 0 318.446 3.341 10 30 DGEERN C[C@](C#N)(NC(=O)c1cc(-c2cccnc2)on1)C1CCCCC1 ZINC000609640706 400183646 /nfs/dbraw/zinc/18/36/46/400183646.db2.gz HLAJYJJRMGRENY-GOSISDBHSA-N 0 0 324.384 3.329 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc[nH]2)c(F)c1 ZINC000609639632 400184262 /nfs/dbraw/zinc/18/42/62/400184262.db2.gz DMFWFZBIXGJJTN-MRXNPFEDSA-N 0 0 312.348 3.072 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000616302072 400121799 /nfs/dbraw/zinc/12/17/99/400121799.db2.gz ZMCMUJPOGIFTOS-KBAYOESNSA-N 0 0 301.430 3.495 10 30 DGEERN N#Cc1cc(F)c(NCC[C@H]2CCCO2)cc1Br ZINC000310756082 400134916 /nfs/dbraw/zinc/13/49/16/400134916.db2.gz XDVZSOYNYMTCCA-SNVBAGLBSA-N 0 0 313.170 3.441 10 30 DGEERN C[C@H]1C[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609070594 400137470 /nfs/dbraw/zinc/13/74/70/400137470.db2.gz JOMLGWASLLDWQX-GXTWGEPZSA-N 0 0 310.353 3.116 10 30 DGEERN C[C@H]1C[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609070597 400137695 /nfs/dbraw/zinc/13/76/95/400137695.db2.gz JOMLGWASLLDWQX-JSGCOSHPSA-N 0 0 310.353 3.116 10 30 DGEERN C=CCCOCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000585753363 400138394 /nfs/dbraw/zinc/13/83/94/400138394.db2.gz SHPHDPFSNMMXLA-UHFFFAOYSA-N 0 0 306.362 3.424 10 30 DGEERN CCOc1ccc([C@H](C)NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000011170541 400141117 /nfs/dbraw/zinc/14/11/17/400141117.db2.gz LWRCCXIDWMDRDO-AWEZNQCLSA-N 0 0 324.380 3.213 10 30 DGEERN C=CCOc1ccc(CN[C@@H](CC(C)(C)C)C(=O)OC)cc1 ZINC000586541003 400147437 /nfs/dbraw/zinc/14/74/37/400147437.db2.gz GPCBZQBXDVQJHL-INIZCTEOSA-N 0 0 305.418 3.319 10 30 DGEERN C=CCOc1ccc(CN[C@H](CC(C)(C)C)C(=O)OC)cc1 ZINC000586541004 400147618 /nfs/dbraw/zinc/14/76/18/400147618.db2.gz GPCBZQBXDVQJHL-MRXNPFEDSA-N 0 0 305.418 3.319 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCCO[C@@H](c2ccccc2)C1 ZINC000609230634 400153058 /nfs/dbraw/zinc/15/30/58/400153058.db2.gz NSERFXQNGRFGMH-OAHLLOKOSA-N 0 0 312.394 3.224 10 30 DGEERN C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(C#N)cc1F ZINC000609240258 400153864 /nfs/dbraw/zinc/15/38/64/400153864.db2.gz XUJCICOSPVMFMO-NSHDSACASA-N 0 0 317.389 3.189 10 30 DGEERN CC[C@H](Nc1ccccc1)C(=O)NCc1ccc(C#N)cc1F ZINC000609241144 400153984 /nfs/dbraw/zinc/15/39/84/400153984.db2.gz WKUUBUOTRROGTQ-KRWDZBQOSA-N 0 0 311.360 3.204 10 30 DGEERN CC(C)(NC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609253061 400154356 /nfs/dbraw/zinc/15/43/56/400154356.db2.gz QIEPOQYKPBJSGQ-UHFFFAOYSA-N 0 0 311.360 3.432 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000616750089 400219589 /nfs/dbraw/zinc/21/95/89/400219589.db2.gz CTLFSURYENOBHT-HNNXBMFYSA-N 0 0 311.429 3.419 10 30 DGEERN C=C[C@@H]1OCC[C@H]1c1nc([C@H](Cc2ccccc2)OC)no1 ZINC000351145767 400236103 /nfs/dbraw/zinc/23/61/03/400236103.db2.gz PMBWDRAAUKQWPJ-ILXRZTDVSA-N 0 0 300.358 3.058 10 30 DGEERN CC(C)(C)OC(=O)N1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616651692 400192654 /nfs/dbraw/zinc/19/26/54/400192654.db2.gz QJZLDFVKOZLRHK-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN COC(=O)c1cc(Sc2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000092679531 400193337 /nfs/dbraw/zinc/19/33/37/400193337.db2.gz CKJUUNFPLRNXGD-UHFFFAOYSA-N 0 0 314.322 3.404 10 30 DGEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000021499844 400193863 /nfs/dbraw/zinc/19/38/63/400193863.db2.gz ILABMEIDLGSOHS-UHFFFAOYSA-N 0 0 306.774 3.154 10 30 DGEERN CC(C)(C)OC(=O)N1CCCO[C@H](c2ccccc2C#N)C1 ZINC000616652348 400194386 /nfs/dbraw/zinc/19/43/86/400194386.db2.gz KXVYMYMIOFQSAL-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN CCN1c2ccc(NC(=O)CCCCCC#N)cc2CCC1=O ZINC000588164024 400195579 /nfs/dbraw/zinc/19/55/79/400195579.db2.gz CGQSXNPNZULVOE-UHFFFAOYSA-N 0 0 313.401 3.398 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc2nccn2c1)c1ccc(C#N)cc1 ZINC000610026194 400208769 /nfs/dbraw/zinc/20/87/69/400208769.db2.gz GDRUNDOYVMEDGF-GFCCVEGCSA-N 0 0 305.341 3.089 10 30 DGEERN C=C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601039653 400209069 /nfs/dbraw/zinc/20/90/69/400209069.db2.gz NPOSPPKLVXKHJQ-UHFFFAOYSA-N 0 0 300.358 3.195 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000601041675 400210087 /nfs/dbraw/zinc/21/00/87/400210087.db2.gz LNBSFZDTZCCFRO-UHFFFAOYSA-N 0 0 310.397 3.284 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000610402676 400254851 /nfs/dbraw/zinc/25/48/51/400254851.db2.gz YXFIEXGYRJDGSS-SQWLQELKSA-N 0 0 315.392 3.465 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000610498275 400264449 /nfs/dbraw/zinc/26/44/49/400264449.db2.gz SFEJVMLVIOZFTR-FJIDUMEYSA-N 0 0 312.413 3.271 10 30 DGEERN C=C(C)C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)OC ZINC000601227036 400268316 /nfs/dbraw/zinc/26/83/16/400268316.db2.gz KYZGWAMGRQDTKC-CQSZACIVSA-N 0 0 315.329 3.063 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)c1ccncc1 ZINC000610530524 400272870 /nfs/dbraw/zinc/27/28/70/400272870.db2.gz POMYRERJLWBDQW-ZDUSSCGKSA-N 0 0 324.384 3.277 10 30 DGEERN C=CCCO[C@H](C)C(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000068738985 400282801 /nfs/dbraw/zinc/28/28/01/400282801.db2.gz JQMFVVAXYHYTMZ-CQSZACIVSA-N 0 0 318.373 3.091 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000610905506 400322921 /nfs/dbraw/zinc/32/29/21/400322921.db2.gz BXFBNKJVXXHCFP-UHFFFAOYSA-N 0 0 308.316 3.199 10 30 DGEERN Cc1cccc(CC2CN(C(=O)NCc3cccc(C#N)c3)C2)c1 ZINC000610640216 400284175 /nfs/dbraw/zinc/28/41/75/400284175.db2.gz FJQIQODNIFRGQF-UHFFFAOYSA-N 0 0 319.408 3.251 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc(Cl)cn2)c(F)c1 ZINC000610652314 400285993 /nfs/dbraw/zinc/28/59/93/400285993.db2.gz VEGJRQOXKZPGNV-UHFFFAOYSA-N 0 0 304.712 3.067 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccsc1 ZINC000617034781 400287065 /nfs/dbraw/zinc/28/70/65/400287065.db2.gz DJTCRHQRDJJYBL-HIFRSBDPSA-N 0 0 320.458 3.119 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)C1 ZINC000601649622 400323237 /nfs/dbraw/zinc/32/32/37/400323237.db2.gz QRCKGSSHEWBLAK-UHFFFAOYSA-N 0 0 307.434 3.313 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CNC(C)=O)s1 ZINC000617038549 400288672 /nfs/dbraw/zinc/28/86/72/400288672.db2.gz YUZXXGRFRODJMG-DZGCQCFKSA-N 0 0 320.458 3.249 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000617038580 400289005 /nfs/dbraw/zinc/28/90/05/400289005.db2.gz ZBPOOTAUWCQODY-ZMSDIMECSA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000617038031 400289055 /nfs/dbraw/zinc/28/90/55/400289055.db2.gz UIKDWNXVESWRQA-ZFWWWQNUSA-N 0 0 310.397 3.393 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617039738 400289278 /nfs/dbraw/zinc/28/92/78/400289278.db2.gz LEBYOSPTJSLWJA-PBHICJAKSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1O ZINC000617040500 400289851 /nfs/dbraw/zinc/28/98/51/400289851.db2.gz VEFXNMBXQQHROS-CZUORRHYSA-N 0 0 316.401 3.215 10 30 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ZINC000521792044 400311154 /nfs/dbraw/zinc/31/11/54/400311154.db2.gz NUABEVCWFNIYHS-UHFFFAOYSA-N 0 0 301.308 3.259 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)CCC1CC1 ZINC000571324774 400320824 /nfs/dbraw/zinc/32/08/24/400320824.db2.gz FBYUDUYYXRSWRN-UHFFFAOYSA-N 0 0 303.435 3.132 10 30 DGEERN C=CCCSCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601193532 400260302 /nfs/dbraw/zinc/26/03/02/400260302.db2.gz JQHBOUCNDFHPGY-UHFFFAOYSA-N 0 0 324.328 3.068 10 30 DGEERN C=CCCC1(CNC(=O)CSc2nncs2)CCCC1 ZINC000617416531 400384249 /nfs/dbraw/zinc/38/42/49/400384249.db2.gz UZOQIBORMWCQEI-UHFFFAOYSA-N 0 0 311.476 3.273 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)CCCC1 ZINC000617416107 400384571 /nfs/dbraw/zinc/38/45/71/400384571.db2.gz BIUYQTOHGDYMAJ-CQSZACIVSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3n[nH]cc3C2)CCCC1 ZINC000617417454 400385253 /nfs/dbraw/zinc/38/52/53/400385253.db2.gz ZIVRKLCOKJYQPJ-AWEZNQCLSA-N 0 0 301.434 3.157 10 30 DGEERN C=CCCC1(CNC(=O)COCc2nnc(C)s2)CCCC1 ZINC000617417870 400385615 /nfs/dbraw/zinc/38/56/15/400385615.db2.gz JQNSGXDYKDYQCS-UHFFFAOYSA-N 0 0 323.462 3.006 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)c1ccccc1 ZINC000617444565 400387811 /nfs/dbraw/zinc/38/78/11/400387811.db2.gz HRKLTTKAQJXBPX-KBMXLJTQSA-N 0 0 310.401 3.150 10 30 DGEERN C=CCCOCC(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000617458760 400390161 /nfs/dbraw/zinc/39/01/61/400390161.db2.gz WNOBGGMAIDOVJE-QGZVFWFLSA-N 0 0 317.429 3.175 10 30 DGEERN C=CCn1c(S[C@H](C(C)=O)C(C)C)nnc1-c1ccncc1 ZINC000578191681 400326716 /nfs/dbraw/zinc/32/67/16/400326716.db2.gz BTMDTQZKEGCJJE-AWEZNQCLSA-N 0 0 316.430 3.232 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC000578331681 400327741 /nfs/dbraw/zinc/32/77/41/400327741.db2.gz PASKERDTNHAZRE-ZDUSSCGKSA-N 0 0 316.405 3.118 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000601683129 400328865 /nfs/dbraw/zinc/32/88/65/400328865.db2.gz NRPROPICISOXJY-KBPBESRZSA-N 0 0 307.434 3.169 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000106910758 400332578 /nfs/dbraw/zinc/33/25/78/400332578.db2.gz RAYPPEFSQBXWGS-LJQANCHMSA-N 0 0 324.424 3.363 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CCO[C@@H](C3CCC3)C2)c1 ZINC000578968946 400333646 /nfs/dbraw/zinc/33/36/46/400333646.db2.gz OVFJAAJVXLWXAZ-QGZVFWFLSA-N 0 0 316.401 3.284 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(C#N)c1 ZINC000610991448 400334369 /nfs/dbraw/zinc/33/43/69/400334369.db2.gz KUXIUTFIGGPALT-UHFFFAOYSA-N 0 0 308.341 3.050 10 30 DGEERN CC#CCN(C)C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000579000410 400334716 /nfs/dbraw/zinc/33/47/16/400334716.db2.gz ILPRYOFFFQYNPE-CABCVRRESA-N 0 0 324.428 3.254 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000579703659 400341587 /nfs/dbraw/zinc/34/15/87/400341587.db2.gz LQBWDMYRBTWFLM-YJBOKZPZSA-N 0 0 323.396 3.461 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000601744449 400343809 /nfs/dbraw/zinc/34/38/09/400343809.db2.gz 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C=C(C)Cn1c(C)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC000580994291 400349413 /nfs/dbraw/zinc/34/94/13/400349413.db2.gz PHIKNNJKYNYIAY-KRWDZBQOSA-N 0 0 300.381 3.238 10 30 DGEERN C=CCCCCCNS(=O)(=O)c1ccc(Br)o1 ZINC000580962621 400349726 /nfs/dbraw/zinc/34/97/26/400349726.db2.gz HOYSEHCPYKSTHI-UHFFFAOYSA-N 0 0 322.224 3.067 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601875259 400368945 /nfs/dbraw/zinc/36/89/45/400368945.db2.gz VIJSBXIKLTYFQC-UKRRQHHQSA-N 0 0 311.389 3.243 10 30 DGEERN C=C(C)Cn1c(N(C)[C@@H]2CCC[C@@H]2C#N)nnc1C(C)(C)C ZINC000601874914 400369099 /nfs/dbraw/zinc/36/90/99/400369099.db2.gz RSFUICPEXCKCAM-ZIAGYGMSSA-N 0 0 301.438 3.280 10 30 DGEERN C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601875616 400369316 /nfs/dbraw/zinc/36/93/16/400369316.db2.gz XBPPXSGBIQHQRM-GOEBONIOSA-N 0 0 322.416 3.045 10 30 DGEERN C=CCOCCCC(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000617519723 400402495 /nfs/dbraw/zinc/40/24/95/400402495.db2.gz UEAAGJWIVNBXKV-UHFFFAOYSA-N 0 0 301.430 3.332 10 30 DGEERN C=CCN(C(=O)CCC(=O)c1ccc(CC)cc1)[C@H](C)COC ZINC000617575343 400415678 /nfs/dbraw/zinc/41/56/78/400415678.db2.gz VNNQDYQVOPJESF-OAHLLOKOSA-N 0 0 317.429 3.261 10 30 DGEERN C=CCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000617611213 400425618 /nfs/dbraw/zinc/42/56/18/400425618.db2.gz QDEQTTACOQVZRR-NSHDSACASA-N 0 0 310.191 3.008 10 30 DGEERN Cc1onc(CC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1C#N ZINC000611527608 400416413 /nfs/dbraw/zinc/41/64/13/400416413.db2.gz FUYSYLLPGSBGDR-DOTOQJQBSA-N 0 0 323.396 3.240 10 30 DGEERN C=CCN(C(=O)c1cc2c(cc(F)cc2C)[nH]1)[C@H](C)COC ZINC000617579530 400416950 /nfs/dbraw/zinc/41/69/50/400416950.db2.gz GEOFAPFKIMUPSS-GFCCVEGCSA-N 0 0 304.365 3.279 10 30 DGEERN C=CCN(C(=O)c1[nH]c2ccc(C)cc2c1C)[C@@H](C)COC ZINC000617580950 400418224 /nfs/dbraw/zinc/41/82/24/400418224.db2.gz IJUSRYHTBVKFKO-ZDUSSCGKSA-N 0 0 300.402 3.448 10 30 DGEERN C=CCN(C(=O)c1coc2ccc(OC)cc21)[C@H](C)COC ZINC000617582111 400419303 /nfs/dbraw/zinc/41/93/03/400419303.db2.gz 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C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000078376800 400794158 /nfs/dbraw/zinc/79/41/58/400794158.db2.gz OKRQRUAXZNHIOP-FMKPAKJESA-N 0 0 300.402 3.363 10 30 DGEERN C=CCCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000619216448 400802691 /nfs/dbraw/zinc/80/26/91/400802691.db2.gz OLMXGJWJUSALMD-HNNXBMFYSA-N 0 0 318.417 3.192 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cc(-c3ccoc3)[nH]n2)c1 ZINC000619218582 400803641 /nfs/dbraw/zinc/80/36/41/400803641.db2.gz IBQSOUURNLDPET-UHFFFAOYSA-N 0 0 309.325 3.487 10 30 DGEERN C[C@@H]1CCCCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000619592655 400870979 /nfs/dbraw/zinc/87/09/79/400870979.db2.gz QWYNUYBRVVOHOF-CQSZACIVSA-N 0 0 308.385 3.149 10 30 DGEERN C=CC[C@@H]1CC[C@@H](N[C@@H](C(=O)OCC)c2cccc(O)c2)C1 ZINC000593616090 400881409 /nfs/dbraw/zinc/88/14/09/400881409.db2.gz GRONIPBODLZGFZ-FRFSOERESA-N 0 0 303.402 3.331 10 30 DGEERN CC(C)Cn1ccnc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180462069 400884164 /nfs/dbraw/zinc/88/41/64/400884164.db2.gz 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303.189 3.360 10 30 DGEERN N#Cc1ccc(CNC(=O)c2ccnc3ccncc32)cc1Cl ZINC000619780242 400906532 /nfs/dbraw/zinc/90/65/32/400906532.db2.gz FSJJLVXTGBJLTR-UHFFFAOYSA-N 0 0 322.755 3.085 10 30 DGEERN CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 ZINC000619808945 400908289 /nfs/dbraw/zinc/90/82/89/400908289.db2.gz FAGKWXNNEQUMBM-HNNXBMFYSA-N 0 0 319.771 3.060 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000629516439 400953970 /nfs/dbraw/zinc/95/39/70/400953970.db2.gz FXEDPWRXWPRXGN-CYBMUJFWSA-N 0 0 316.401 3.078 10 30 DGEERN C=CCc1cc(CNC(=O)CCCCC#N)cc(OC)c1OC ZINC000593971590 400931181 /nfs/dbraw/zinc/93/11/81/400931181.db2.gz JQHKYCQIVRUPRV-UHFFFAOYSA-N 0 0 316.401 3.132 10 30 DGEERN C[C@@H](NC(=O)C(=O)CC(=O)C=Cc1ccccc1)c1ccccc1 ZINC000198720600 400935305 /nfs/dbraw/zinc/93/53/05/400935305.db2.gz VMEMGVIKDRKLDH-RDRICISKSA-N 0 0 321.376 3.106 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620141601 400981229 /nfs/dbraw/zinc/98/12/29/400981229.db2.gz 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/nfs/dbraw/zinc/63/19/78/401631978.db2.gz XMGGXCKFWKFIQZ-LLVKDONJSA-N 0 0 302.374 3.270 10 30 DGEERN C=CCN(CCOC)c1ncc(F)c(Oc2ccccc2F)n1 ZINC000624154710 401632922 /nfs/dbraw/zinc/63/29/22/401632922.db2.gz STBLOSZNVJGMJT-UHFFFAOYSA-N 0 0 321.327 3.186 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H](C)CCCc2cccnc2)C1 ZINC000624189582 401636161 /nfs/dbraw/zinc/63/61/61/401636161.db2.gz TUINCJIKIRHZDS-RDJZCZTQSA-N 0 0 301.434 3.400 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NC(C)(C)c1ccc(OC)c(F)c1 ZINC000628827512 401641603 /nfs/dbraw/zinc/64/16/03/401641603.db2.gz SDPDTELPRYTLSS-LBPRGKRZSA-N 0 0 309.381 3.167 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000632412323 401605979 /nfs/dbraw/zinc/60/59/79/401605979.db2.gz YDOXUSJCWSEBRV-ZDUSSCGKSA-N 0 0 322.474 3.376 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)C1 ZINC000628485389 401606309 /nfs/dbraw/zinc/60/63/09/401606309.db2.gz KIJYPYQPZFASJO-CKEIUWERSA-N 0 0 312.413 3.319 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000628483969 401606406 /nfs/dbraw/zinc/60/64/06/401606406.db2.gz BCHLLHXYWYDPAJ-LLVKDONJSA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cnc3c(cnn3CC(C)C)c2)C1 ZINC000628486408 401606751 /nfs/dbraw/zinc/60/67/51/401606751.db2.gz HVIABLOCFWNBKX-CQSZACIVSA-N 0 0 312.417 3.126 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(OCCCOC)cc2)C1 ZINC000628488907 401607064 /nfs/dbraw/zinc/60/70/64/401607064.db2.gz KTPONOWJHFJYMK-HNNXBMFYSA-N 0 0 303.402 3.140 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)cn2)C1 ZINC000628490611 401607098 /nfs/dbraw/zinc/60/70/98/401607098.db2.gz CDITYKUEVJEYBT-LLVKDONJSA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCc2ccc(OC)cc2OC)C1 ZINC000628489562 401607135 /nfs/dbraw/zinc/60/71/35/401607135.db2.gz ZJWBTNFLMGABLD-HNNXBMFYSA-N 0 0 317.429 3.451 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)C1 ZINC000628489217 401607381 /nfs/dbraw/zinc/60/73/81/401607381.db2.gz RLYPJYSRSXWJHJ-CYBMUJFWSA-N 0 0 311.385 3.124 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(Nc3ccn(C)n3)cc2)C1 ZINC000628492996 401607444 /nfs/dbraw/zinc/60/74/44/401607444.db2.gz HFWKNBAJJLUDRL-CQSZACIVSA-N 0 0 310.401 3.202 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000628490706 401607535 /nfs/dbraw/zinc/60/75/35/401607535.db2.gz FCUQEUSYRFSYCV-LBPRGKRZSA-N 0 0 317.339 3.189 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccnn2CCc2ccccc2)C1 ZINC000628494360 401608305 /nfs/dbraw/zinc/60/83/05/401608305.db2.gz MOIJYVQLXRYDGN-KRWDZBQOSA-N 0 0 309.413 3.164 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 ZINC000628493526 401608397 /nfs/dbraw/zinc/60/83/97/401608397.db2.gz ROSHPZPHNKTBGC-HNNXBMFYSA-N 0 0 307.397 3.490 10 30 DGEERN C=C(C)CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632571612 401615269 /nfs/dbraw/zinc/61/52/69/401615269.db2.gz HACGGBWWIYCDDF-HZSPNIEDSA-N 0 0 306.203 3.027 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000632644637 401618233 /nfs/dbraw/zinc/61/82/33/401618233.db2.gz GVSXRAXIGKNVRL-UHFFFAOYSA-N 0 0 308.466 3.132 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000624315066 401649998 /nfs/dbraw/zinc/64/99/98/401649998.db2.gz VHNUQJBFIGPLDR-UPJWGTAASA-N 0 0 320.355 3.094 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCCc2ccnc3ccccc23)C1 ZINC000624352001 401655165 /nfs/dbraw/zinc/65/51/65/401655165.db2.gz DYGYDNYFGYNMIV-OAHLLOKOSA-N 0 0 309.413 3.385 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)COc2c(F)cccc2F)C1 ZINC000624363047 401655595 /nfs/dbraw/zinc/65/55/95/401655595.db2.gz OUEUNDFFNXUQEJ-CHWSQXEVSA-N 0 0 324.371 3.340 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCC(=O)C[C@@H]1c1ccccc1)OCC ZINC000633166220 401656267 /nfs/dbraw/zinc/65/62/67/401656267.db2.gz SLLCZQCGVZEPJB-QZTJIDSGSA-N 0 0 315.413 3.291 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)c(F)c1 ZINC000633173182 401657047 /nfs/dbraw/zinc/65/70/47/401657047.db2.gz OJPARMAWOLDHDR-WVATUKLVSA-N 0 0 324.371 3.447 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000624461961 401662241 /nfs/dbraw/zinc/66/22/41/401662241.db2.gz YXXOEXXQKLFQBG-INIZCTEOSA-N 0 0 302.418 3.452 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000624459514 401662488 /nfs/dbraw/zinc/66/24/88/401662488.db2.gz FJFQVHOYHJPLLU-NHYWBVRUSA-N 0 0 304.381 3.043 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000624464188 401662572 /nfs/dbraw/zinc/66/25/72/401662572.db2.gz OZBHJQTUSVGUQM-OAHLLOKOSA-N 0 0 318.465 3.223 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000624464696 401662582 /nfs/dbraw/zinc/66/25/82/401662582.db2.gz LEYCVZNUTBBTKP-INIZCTEOSA-N 0 0 301.434 3.075 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000624464043 401662625 /nfs/dbraw/zinc/66/26/25/401662625.db2.gz JRDZPIFNQPCOFA-AWEZNQCLSA-N 0 0 322.371 3.342 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000624464983 401663082 /nfs/dbraw/zinc/66/30/82/401663082.db2.gz YKVLEAKETJQXFM-UHFFFAOYSA-N 0 0 305.422 3.270 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000624727265 401685493 /nfs/dbraw/zinc/68/54/93/401685493.db2.gz XXFFSLSUGMXXKP-QGZVFWFLSA-N 0 0 306.365 3.460 10 30 DGEERN C=CCC1(CNC(=O)c2[nH]ncc2C(F)(F)F)CCCC1 ZINC000633337966 401673658 /nfs/dbraw/zinc/67/36/58/401673658.db2.gz LDUXKBMLOSVOJJ-UHFFFAOYSA-N 0 0 301.312 3.295 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2c(Cl)oc3ccccc32)C1=O ZINC000629480540 401687237 /nfs/dbraw/zinc/68/72/37/401687237.db2.gz RQGMXDBBFTXFFB-LBPRGKRZSA-N 0 0 318.760 3.473 10 30 DGEERN C[C@H](CCCC(F)(F)F)NC(=O)N1CCC(C)(C#N)CC1 ZINC000494795000 298382306 /nfs/dbraw/zinc/38/23/06/298382306.db2.gz NHJKHYRWHCFZAE-LLVKDONJSA-N 0 0 305.344 3.443 10 30 DGEERN CC1(C)CN(C(=O)c2cc(C#N)ccn2)CC[C@H]1C(F)(F)F ZINC000408161618 165946869 /nfs/dbraw/zinc/94/68/69/165946869.db2.gz ODCIDCGGQCCFAJ-GFCCVEGCSA-N 0 0 311.307 3.004 10 30 DGEERN CC[C@@H]1CCCC[C@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000330203782 287039307 /nfs/dbraw/zinc/03/93/07/287039307.db2.gz BBUQLTXVCZAFGQ-IUODEOHRSA-N 0 0 303.406 3.028 10 30 DGEERN CC[C@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000173497971 164697635 /nfs/dbraw/zinc/69/76/35/164697635.db2.gz YFMGBDHHGVVTMM-RDTXWAMCSA-N 0 0 300.402 3.364 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000175789029 164766165 /nfs/dbraw/zinc/76/61/65/164766165.db2.gz XVQQWFGSFRJVRD-NVXWUHKLSA-N 0 0 323.400 3.369 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)c2cc(C#N)cs2)n1 ZINC000177353353 164806093 /nfs/dbraw/zinc/80/60/93/164806093.db2.gz CTQKZONNGWDEIV-UHFFFAOYSA-N 0 0 308.366 3.366 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1-n1cccn1 ZINC000177821355 164816804 /nfs/dbraw/zinc/81/68/04/164816804.db2.gz NYNCPCZPVFWPHZ-LBPRGKRZSA-N 0 0 322.393 3.296 10 30 DGEERN CCC[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)C ZINC000183682100 164958021 /nfs/dbraw/zinc/95/80/21/164958021.db2.gz DZUVEECMEXQVAL-OAHLLOKOSA-N 0 0 311.389 3.150 10 30 DGEERN C[C@H](NCc1ccc(F)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000185475500 165005999 /nfs/dbraw/zinc/00/59/99/165005999.db2.gz ZGGABEGNFJJTFX-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2cc(F)ccc2F)cn1 ZINC000185851454 165019201 /nfs/dbraw/zinc/01/92/01/165019201.db2.gz GTEUOUSAVWFKOG-UHFFFAOYSA-N 0 0 311.295 3.029 10 30 DGEERN C[C@H]1C[C@H]1c1ccc(CNc2cnn(-c3ncccc3C#N)c2)o1 ZINC000185851079 165019211 /nfs/dbraw/zinc/01/92/11/165019211.db2.gz RYLLGDFLURPWCB-BLLLJJGKSA-N 0 0 319.368 3.467 10 30 DGEERN COc1ccccc1[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186021933 165025412 /nfs/dbraw/zinc/02/54/12/165025412.db2.gz XEAXIWLOSZAFEX-CYBMUJFWSA-N 0 0 319.368 3.321 10 30 DGEERN Cc1csc([C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000186511636 165047466 /nfs/dbraw/zinc/04/74/66/165047466.db2.gz TXIUUMYJOTXKNK-LBPRGKRZSA-N 0 0 311.410 3.232 10 30 DGEERN N#Cc1ccc(CSc2nnc(N3CCCC3)s2)cc1F ZINC000187910004 165105874 /nfs/dbraw/zinc/10/58/74/165105874.db2.gz DTKLYMHJLXJATL-UHFFFAOYSA-N 0 0 320.418 3.441 10 30 DGEERN Cc1nc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)cs1 ZINC000189923391 165183090 /nfs/dbraw/zinc/18/30/90/165183090.db2.gz ULZNPTOEQWXTED-MRXNPFEDSA-N 0 0 323.425 3.308 10 30 DGEERN N#Cc1ccc(CSCc2cccc(C(N)=O)c2)cc1F ZINC000190900787 165220402 /nfs/dbraw/zinc/22/04/02/165220402.db2.gz BAYVFZZWZKPHMN-UHFFFAOYSA-N 0 0 300.358 3.230 10 30 DGEERN N#Cc1ccc(CNC(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000190947681 165222380 /nfs/dbraw/zinc/22/23/80/165222380.db2.gz DHXWRRGYNKWPBS-UHFFFAOYSA-N 0 0 305.381 3.435 10 30 DGEERN Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)C1CCCCC1 ZINC000191359907 165246727 /nfs/dbraw/zinc/24/67/27/165246727.db2.gz WLRLJUSKOORHMJ-QGZVFWFLSA-N 0 0 310.401 3.066 10 30 DGEERN N#Cc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c[nH]1 ZINC000191450002 165251130 /nfs/dbraw/zinc/25/11/30/165251130.db2.gz WHJHKEUPNPFKAV-UHFFFAOYSA-N 0 0 321.302 3.481 10 30 DGEERN COc1ccc2cc(CNC(=O)c3ccnc(C#N)c3)ccc2c1 ZINC000192459846 165292455 /nfs/dbraw/zinc/29/24/55/165292455.db2.gz CEJNPLFVUBGZTH-UHFFFAOYSA-N 0 0 317.348 3.045 10 30 DGEERN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccnc(C#N)c1 ZINC000192583604 165297576 /nfs/dbraw/zinc/29/75/76/165297576.db2.gz SPGCBFDBNDPMBF-SNVBAGLBSA-N 0 0 301.296 3.065 10 30 DGEERN Cc1cc(C)n(-c2cccc(NC(=O)c3ccnc(C#N)c3)c2)n1 ZINC000192675971 165299942 /nfs/dbraw/zinc/29/99/42/165299942.db2.gz YERORKIESJTDFB-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)o1 ZINC000192662826 165300977 /nfs/dbraw/zinc/30/09/77/165300977.db2.gz VHSXCYPCNKFDMS-PXAZEXFGSA-N 0 0 321.380 3.474 10 30 DGEERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccnc(C#N)c1 ZINC000192775016 165305643 /nfs/dbraw/zinc/30/56/43/165305643.db2.gz SAUZBAIQCPJBJJ-GFCCVEGCSA-N 0 0 305.337 3.499 10 30 DGEERN CN(C(=O)c1ccnc(C#N)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000193152013 165318365 /nfs/dbraw/zinc/31/83/65/165318365.db2.gz PPKRLMUPRPLTCN-CQSZACIVSA-N 0 0 319.286 3.329 10 30 DGEERN N#Cc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)ccn1 ZINC000193374640 165325200 /nfs/dbraw/zinc/32/52/00/165325200.db2.gz YDFFFNOSWOCANJ-UHFFFAOYSA-N 0 0 324.771 3.060 10 30 DGEERN Cc1cccc(C2=CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000193741916 165331149 /nfs/dbraw/zinc/33/11/49/165331149.db2.gz OKJNPSCTKQVFQT-UHFFFAOYSA-N 0 0 303.365 3.191 10 30 DGEERN N#Cc1cc(C(=O)NCC2(Cc3ccccc3)CCCC2)ccn1 ZINC000193778056 165331156 /nfs/dbraw/zinc/33/11/56/165331156.db2.gz UDXBKSYIXKLZBY-UHFFFAOYSA-N 0 0 319.408 3.486 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCCSc2ccc(F)cc21 ZINC000190418148 432155064 /nfs/dbraw/zinc/15/50/64/432155064.db2.gz PTUSPNAVQBPMIA-UHFFFAOYSA-N 0 0 315.373 3.178 10 30 DGEERN N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCCOC3)c2)cc1 ZINC000171675887 432157873 /nfs/dbraw/zinc/15/78/73/432157873.db2.gz SLTLAIMDKNCTPM-INIZCTEOSA-N 0 0 322.364 3.259 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269594909 432185423 /nfs/dbraw/zinc/18/54/23/432185423.db2.gz DNYYZMHSWPQRJN-AWEZNQCLSA-N 0 0 312.413 3.449 10 30 DGEERN CSCCCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000172475909 432216890 /nfs/dbraw/zinc/21/68/90/432216890.db2.gz JPIGCTGUKPQDRL-UHFFFAOYSA-N 0 0 317.458 3.375 10 30 DGEERN N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000133756625 196334321 /nfs/dbraw/zinc/33/43/21/196334321.db2.gz LSTMBXLWKOMNHR-HNNXBMFYSA-N 0 0 313.382 3.225 10 30 DGEERN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1C ZINC000133956226 196348733 /nfs/dbraw/zinc/34/87/33/196348733.db2.gz PICVFQQKJDSBFZ-SFHVURJKSA-N 0 0 322.408 3.280 10 30 DGEERN CCC(C)(C)[C@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000134124514 196363311 /nfs/dbraw/zinc/36/33/11/196363311.db2.gz IPQOCJHEFGSKME-MRXNPFEDSA-N 0 0 300.402 3.364 10 30 DGEERN Cc1cc(OCc2noc(-c3ccsc3)n2)c(C#N)c(C)n1 ZINC000150895472 196600673 /nfs/dbraw/zinc/60/06/73/196600673.db2.gz WJVAATPESOOMHV-UHFFFAOYSA-N 0 0 312.354 3.261 10 30 DGEERN N#CCOc1ccccc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110450755 226919670 /nfs/dbraw/zinc/91/96/70/226919670.db2.gz SMLUSLZRDPZGPA-RDJZCZTQSA-N 0 0 306.365 3.122 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000184575894 335079292 /nfs/dbraw/zinc/07/92/92/335079292.db2.gz YYIBWUXGTDGLGA-OAHLLOKOSA-N 0 0 315.373 3.017 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000160306374 228246085 /nfs/dbraw/zinc/24/60/85/228246085.db2.gz PIBPFDVDRUIKBY-GFCCVEGCSA-N 0 0 308.337 3.086 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000160829008 228248876 /nfs/dbraw/zinc/24/88/76/228248876.db2.gz JIDOKYMALADIGA-HNNXBMFYSA-N 0 0 320.820 3.480 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1cc(F)cc(F)c1 ZINC000164184681 228264081 /nfs/dbraw/zinc/26/40/81/228264081.db2.gz VMACNJWUMFYHPA-UHFFFAOYSA-N 0 0 300.308 3.117 10 30 DGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1cccc(F)c1 ZINC000171044231 228270106 /nfs/dbraw/zinc/27/01/06/228270106.db2.gz KWCZWMLSECCGQV-SNAWJCMRSA-N 0 0 318.373 3.015 10 30 DGEERN Cc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000173228418 228279143 /nfs/dbraw/zinc/27/91/43/228279143.db2.gz INTAPYZHTDHJBL-UHFFFAOYSA-N 0 0 301.371 3.129 10 30 DGEERN Cc1ncc(-c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)o1 ZINC000176634472 228317207 /nfs/dbraw/zinc/31/72/07/228317207.db2.gz LAEUCUKVWYWCFB-UHFFFAOYSA-N 0 0 306.325 3.113 10 30 DGEERN C[C@@]1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCCS1 ZINC000181556449 228363518 /nfs/dbraw/zinc/36/35/18/228363518.db2.gz DFCZWMVSBDHYCS-INIZCTEOSA-N 0 0 300.427 3.257 10 30 DGEERN C[C@H](C#N)Oc1ccc(CNc2cccc3c2OCC[C@H]3O)cc1 ZINC000184061632 228380796 /nfs/dbraw/zinc/38/07/96/228380796.db2.gz NLXMQBHPODIKMQ-FZKQIMNGSA-N 0 0 324.380 3.405 10 30 DGEERN C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Oc1ccccc1 ZINC000186976349 228418155 /nfs/dbraw/zinc/41/81/55/228418155.db2.gz QLGNGRDOKLLBDR-OAHLLOKOSA-N 0 0 320.392 3.174 10 30 DGEERN COc1ccc(C(=O)C=C(SC)SC)c(OC)c1OC ZINC000228992828 228613691 /nfs/dbraw/zinc/61/36/91/228613691.db2.gz RYGQXHMHPZMHJC-UHFFFAOYSA-N 0 0 314.428 3.463 10 30 DGEERN C[C@H](C#N)N(C)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000297787591 228882888 /nfs/dbraw/zinc/88/28/88/228882888.db2.gz JHUAYJSHMIVENF-WDEREUQCSA-N 0 0 309.207 3.313 10 30 DGEERN Cc1cc(COCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)on1 ZINC000328832576 228915323 /nfs/dbraw/zinc/91/53/23/228915323.db2.gz VUFXQMAVWAFOGX-SECBINFHSA-N 0 0 321.402 3.369 10 30 DGEERN Cc1nc(CN(C)C(=O)N[C@@H]2CCCC23CCOCC3)cs1 ZINC000328859543 228916648 /nfs/dbraw/zinc/91/66/48/228916648.db2.gz YMYZOCZETOKFJY-CQSZACIVSA-N 0 0 323.462 3.147 10 30 DGEERN Cc1nc(CN(C)C(=O)N[C@H]2CCCC23CCOCC3)cs1 ZINC000328859541 228917089 /nfs/dbraw/zinc/91/70/89/228917089.db2.gz YMYZOCZETOKFJY-AWEZNQCLSA-N 0 0 323.462 3.147 10 30 DGEERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@H]2CCC[C@H]21 ZINC000330262842 228985521 /nfs/dbraw/zinc/98/55/21/228985521.db2.gz VSFWKPGCQQIMHF-IUODEOHRSA-N 0 0 314.364 3.431 10 30 DGEERN N#Cc1cccnc1NCCN1CCc2c(Cl)cccc2C1 ZINC000302622372 230323183 /nfs/dbraw/zinc/32/31/83/230323183.db2.gz DTWQEEYZHLGAOF-UHFFFAOYSA-N 0 0 312.804 3.077 10 30 DGEERN Cc1ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nc1C#N ZINC000302639948 230328168 /nfs/dbraw/zinc/32/81/68/230328168.db2.gz KYVURYBGBHKFGH-MRXNPFEDSA-N 0 0 315.323 3.118 10 30 DGEERN Cc1ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2)nc1C#N ZINC000302688969 230352546 /nfs/dbraw/zinc/35/25/46/230352546.db2.gz YWDJKGMOPQWSSJ-OAHLLOKOSA-N 0 0 310.376 3.482 10 30 DGEERN Cc1ccc(C[C@@H](C)C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000181272543 263580505 /nfs/dbraw/zinc/58/05/05/263580505.db2.gz ZKVDXTOCBQDTDG-MRXNPFEDSA-N 0 0 322.408 3.241 10 30 DGEERN Cc1cc(CCNC(=O)Nc2cccc(C#N)c2)cc(C)c1O ZINC000190878495 263745435 /nfs/dbraw/zinc/74/54/35/263745435.db2.gz PEKUYEXQYLGOQB-UHFFFAOYSA-N 0 0 309.369 3.245 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000357406536 270003753 /nfs/dbraw/zinc/00/37/53/270003753.db2.gz FBZGVFDEHHWZBU-UHFFFAOYSA-N 0 0 306.152 3.441 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)n1nc(C)cc1C ZINC000194443731 265604345 /nfs/dbraw/zinc/60/43/45/265604345.db2.gz AOHUYWCHAMZKIJ-INIZCTEOSA-N 0 0 322.412 3.147 10 30 DGEERN CC(=O)N(C)c1ccccc1NCCOc1cccc(C#N)c1 ZINC000360363165 265653589 /nfs/dbraw/zinc/65/35/89/265653589.db2.gz JSJUKPJMVDKBJU-UHFFFAOYSA-N 0 0 309.369 3.032 10 30 DGEERN C=CCC(CC=C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000151230398 432231179 /nfs/dbraw/zinc/23/11/79/432231179.db2.gz STNGPTSBDCNBHM-UHFFFAOYSA-N 0 0 303.406 3.286 10 30 DGEERN C=C(C)C[C@@H](Nc1cc(C(F)F)nc(SC)n1)C(=O)OC ZINC000601226000 425053984 /nfs/dbraw/zinc/05/39/84/425053984.db2.gz CMOXYDHXHNEXHM-SECBINFHSA-N 0 0 317.361 3.056 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC=C ZINC000508955133 266815689 /nfs/dbraw/zinc/81/56/89/266815689.db2.gz CXQLBSRUGYTJTM-UHFFFAOYSA-N 0 0 307.401 3.405 10 30 DGEERN COc1cccc(C2=CCN(C(=O)c3cc(C#N)oc3C)CC2)c1 ZINC000373864938 266881267 /nfs/dbraw/zinc/88/12/67/266881267.db2.gz FWGZADGEEDBUKR-UHFFFAOYSA-N 0 0 322.364 3.398 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000151283645 432234987 /nfs/dbraw/zinc/23/49/87/432234987.db2.gz FLFYIDKANMMHRR-QGZVFWFLSA-N 0 0 303.406 3.175 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)Cc2cccc(C#N)c2)C1(CC)CC ZINC000530683101 267151488 /nfs/dbraw/zinc/15/14/88/267151488.db2.gz FZZCSLWUSDZGQC-DLBZAZTESA-N 0 0 314.429 3.201 10 30 DGEERN CCS[C@@H]1CCCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000530676083 267180012 /nfs/dbraw/zinc/18/00/12/267180012.db2.gz SCFLZTLVHGAGMG-MRXNPFEDSA-N 0 0 302.443 3.235 10 30 DGEERN C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000358570666 267180371 /nfs/dbraw/zinc/18/03/71/267180371.db2.gz NOBUNYQHHGOURO-ZDUSSCGKSA-N 0 0 317.408 3.139 10 30 DGEERN C[C@H]1CCOCCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000367730316 267218721 /nfs/dbraw/zinc/21/87/21/267218721.db2.gz RJSBNUUGWPFBRK-HNNXBMFYSA-N 0 0 320.392 3.476 10 30 DGEERN Cc1cc(C#N)nc(N2CCC[C@@H]2c2cccc(N(C)C)c2)n1 ZINC000367332798 267314889 /nfs/dbraw/zinc/31/48/89/267314889.db2.gz MOQPBJCBWLDVNF-QGZVFWFLSA-N 0 0 307.401 3.064 10 30 DGEERN Cc1cc(C#N)nc(N2CCn3c(cc4ccc(Cl)cc43)C2)n1 ZINC000367804458 267316204 /nfs/dbraw/zinc/31/62/04/267316204.db2.gz PUTYWULGOYNYGZ-UHFFFAOYSA-N 0 0 323.787 3.285 10 30 DGEERN C[C@H](CNC(=O)Cc1cccc(C#N)c1)Sc1ccccc1 ZINC000530674949 267821546 /nfs/dbraw/zinc/82/15/46/267821546.db2.gz IFFAJEIIYYGBHT-CQSZACIVSA-N 0 0 310.422 3.398 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000530672406 268275587 /nfs/dbraw/zinc/27/55/87/268275587.db2.gz KXRFAAQCHYMOHD-SFHVURJKSA-N 0 0 322.433 3.248 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000531147371 268276076 /nfs/dbraw/zinc/27/60/76/268276076.db2.gz IPQAMJUIMGNYRY-UHFFFAOYSA-N 0 0 316.307 3.019 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCCc3ccc(F)cc32)c1 ZINC000526025101 268277897 /nfs/dbraw/zinc/27/78/97/268277897.db2.gz UFLNJMGFCVMQGS-SFHVURJKSA-N 0 0 308.356 3.434 10 30 DGEERN N#Cc1ccnc(NC(=O)CCSc2ccccc2F)c1 ZINC000357399809 268295661 /nfs/dbraw/zinc/29/56/61/268295661.db2.gz ZHUOLKZWLQXGQU-UHFFFAOYSA-N 0 0 301.346 3.213 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000365986470 268302872 /nfs/dbraw/zinc/30/28/72/268302872.db2.gz YDEAERQRBDJMMN-ZDUSSCGKSA-N 0 0 300.358 3.389 10 30 DGEERN N#Cc1cnc(NCc2nc(-c3ccccc3F)cs2)cn1 ZINC000364810621 268312358 /nfs/dbraw/zinc/31/23/58/268312358.db2.gz KPXBHWSSPPVHCT-UHFFFAOYSA-N 0 0 311.345 3.223 10 30 DGEERN Cc1ccnc(C2CCN(c3nc(C)cc(C)c3C#N)CC2)n1 ZINC000371830287 271477606 /nfs/dbraw/zinc/47/76/06/271477606.db2.gz YHMQVYNVDVYXCT-UHFFFAOYSA-N 0 0 307.401 3.053 10 30 DGEERN N#Cc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1C#N ZINC000173098673 432258175 /nfs/dbraw/zinc/25/81/75/432258175.db2.gz YYUFJJSCUURVHZ-CYBMUJFWSA-N 0 0 317.348 3.325 10 30 DGEERN C=CCC[C@H](NC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1)C(=O)OCC ZINC000456612758 275424103 /nfs/dbraw/zinc/42/41/03/275424103.db2.gz SJKRVQGFCNLYFM-XLNGHYISSA-N 0 0 315.413 3.050 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)n(-c2ccccc2)n1 ZINC000519513174 429460349 /nfs/dbraw/zinc/46/03/49/429460349.db2.gz PRIGBGWFUAREHI-NVXWUHKLSA-N 0 0 311.385 3.100 10 30 DGEERN C=CCN1CC[C@H](n2c3ccccc3nc2C(F)(F)F)C1=O ZINC000347703478 275746062 /nfs/dbraw/zinc/74/60/62/275746062.db2.gz VCQVNMSNPOXNCH-LBPRGKRZSA-N 0 0 309.291 3.015 10 30 DGEERN CC1(C)Oc2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc2O1 ZINC000408238195 276157332 /nfs/dbraw/zinc/15/73/32/276157332.db2.gz WCEXSFAYULJULH-JQWIXIFHSA-N 0 0 301.346 3.008 10 30 DGEERN CCC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCCC1 ZINC000183660360 276215200 /nfs/dbraw/zinc/21/52/00/276215200.db2.gz UCHMZNOGYZFDNB-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN C=CCCS(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122968064 276885990 /nfs/dbraw/zinc/88/59/90/276885990.db2.gz GAKRUZDBEJHWCS-HNNXBMFYSA-N 0 0 321.442 3.319 10 30 DGEERN C=CC[C@@H](CO)CNc1nnc(-c2ccccc2Cl)s1 ZINC000545472722 430322101 /nfs/dbraw/zinc/32/21/01/430322101.db2.gz XXCWRDGYZVEKDZ-SNVBAGLBSA-N 0 0 309.822 3.455 10 30 DGEERN C/C(=C/c1ccc(F)cc1)C(=O)NC1(C#N)CCSCC1 ZINC000162149593 277728275 /nfs/dbraw/zinc/72/82/75/277728275.db2.gz MKBZHXHFDYIZOL-BENRWUELSA-N 0 0 304.390 3.135 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000491245937 277807673 /nfs/dbraw/zinc/80/76/73/277807673.db2.gz AJIINPFWBUUMKT-IIAWOOMASA-N 0 0 303.427 3.321 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CCOCC1 ZINC000424739828 277825749 /nfs/dbraw/zinc/82/57/49/277825749.db2.gz CCGWVSJXEUYZLS-HUUCEWRRSA-N 0 0 309.450 3.069 10 30 DGEERN C=CCOc1ccccc1CNC(=O)Nc1cc(CC)on1 ZINC000606964252 430558453 /nfs/dbraw/zinc/55/84/53/430558453.db2.gz QSJDIEKPFSIBDS-UHFFFAOYSA-N 0 0 301.346 3.124 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2cccc(OC)c21 ZINC000433237348 277843593 /nfs/dbraw/zinc/84/35/93/277843593.db2.gz WASMCGQEHKEARR-LBPRGKRZSA-N 0 0 313.319 3.302 10 30 DGEERN C=CCN(Cc1ccccc1N1CCOCC1)CC(F)(F)F ZINC000092471976 277855371 /nfs/dbraw/zinc/85/53/71/277855371.db2.gz FRLCPWWWPHYQRR-UHFFFAOYSA-N 0 0 314.351 3.074 10 30 DGEERN COc1cc(C(=O)Oc2ccc(CC#N)cc2)cc(Cl)n1 ZINC000000163254 431137729 /nfs/dbraw/zinc/13/77/29/431137729.db2.gz PFBDLMNYBSTCTC-UHFFFAOYSA-N 0 0 302.717 3.029 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1cccc(NC(C)=O)c1 ZINC000110424174 431190884 /nfs/dbraw/zinc/19/08/84/431190884.db2.gz XODZAHFUMVLCLR-UHFFFAOYSA-N 0 0 324.380 3.140 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC(CC)CC ZINC000068883315 431146914 /nfs/dbraw/zinc/14/69/14/431146914.db2.gz GUSKTGRGISNWCA-UHFFFAOYSA-N 0 0 305.378 3.481 10 30 DGEERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000068918618 431150330 /nfs/dbraw/zinc/15/03/30/431150330.db2.gz PHLSMWYNCLWXQE-UHFFFAOYSA-N 0 0 318.373 3.301 10 30 DGEERN N#C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000108830725 431156496 /nfs/dbraw/zinc/15/64/96/431156496.db2.gz XIHRROJWYQIGHO-ZDUSSCGKSA-N 0 0 301.733 3.027 10 30 DGEERN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108829240 431157867 /nfs/dbraw/zinc/15/78/67/431157867.db2.gz IWCCOWGFENXXRK-WBMJQRKESA-N 0 0 300.402 3.170 10 30 DGEERN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450365120 279482432 /nfs/dbraw/zinc/48/24/32/279482432.db2.gz PETMVGCRUMRTEF-HOTGVXAUSA-N 0 0 308.341 3.266 10 30 DGEERN N#Cc1cc(C(=O)N2CCCc3cc(Cl)cc(F)c32)ccn1 ZINC000193560416 279500533 /nfs/dbraw/zinc/50/05/33/279500533.db2.gz UXAJHAYKFAVBJC-UHFFFAOYSA-N 0 0 315.735 3.339 10 30 DGEERN C=CCN(C(=O)c1cnc(-c2cnn(C)c2)s1)c1ccccc1 ZINC000112167311 431250874 /nfs/dbraw/zinc/25/08/74/431250874.db2.gz CBACUUOEPCMHDD-UHFFFAOYSA-N 0 0 324.409 3.376 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCC(CN2CCc3ccccc32)CC1 ZINC000112560567 431285040 /nfs/dbraw/zinc/28/50/40/431285040.db2.gz PDOVUXIYBWQKRP-SFHVURJKSA-N 0 0 322.456 3.205 10 30 DGEERN COc1ccccc1CC1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000112560252 431286189 /nfs/dbraw/zinc/28/61/89/431286189.db2.gz ZKJOVAPZWNURLV-QGZVFWFLSA-N 0 0 311.429 3.393 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cccc(C#N)c1)C2 ZINC000112712503 431298788 /nfs/dbraw/zinc/29/87/88/431298788.db2.gz QVCWBQJUVWQMOC-UHFFFAOYSA-N 0 0 323.400 3.005 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C#N)C1CC1 ZINC000112908403 431314923 /nfs/dbraw/zinc/31/49/23/431314923.db2.gz FTJYWEKBPYYISU-QPUJVOFHSA-N 0 0 313.184 3.179 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000072094796 431331858 /nfs/dbraw/zinc/33/18/58/431331858.db2.gz WBEFINIFWHIXDP-ACJLOTCBSA-N 0 0 306.365 3.275 10 30 DGEERN COc1ccc(NC(=O)C2(C#N)CCCCC2)c(OC)c1OC ZINC000072501762 431337502 /nfs/dbraw/zinc/33/75/02/431337502.db2.gz VOFICLHODVAEME-UHFFFAOYSA-N 0 0 318.373 3.125 10 30 DGEERN CCCCCCCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114864400 431415769 /nfs/dbraw/zinc/41/57/69/431415769.db2.gz BNFKIQCSRYEPRW-AWEZNQCLSA-N 0 0 306.454 3.022 10 30 DGEERN Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)C3CC3)c2)cn1 ZINC000114332683 431384089 /nfs/dbraw/zinc/38/40/89/431384089.db2.gz AUEAFJLOOORSBV-SFHVURJKSA-N 0 0 321.380 3.001 10 30 DGEERN C[C@H]1C[C@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115360724 431450693 /nfs/dbraw/zinc/45/06/93/431450693.db2.gz VRXCTFQOBGGHKD-SCLBCKFNSA-N 0 0 306.365 3.275 10 30 DGEERN CN(CCc1ccncc1)c1nc(C(F)(F)F)ccc1C#N ZINC000115516331 431456321 /nfs/dbraw/zinc/45/63/21/431456321.db2.gz KCGULMATTFOFQL-UHFFFAOYSA-N 0 0 306.291 3.046 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000075286953 431464989 /nfs/dbraw/zinc/46/49/89/431464989.db2.gz NGEQGVSHOWTLDH-ZIAGYGMSSA-N 0 0 302.443 3.438 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000075286955 431465446 /nfs/dbraw/zinc/46/54/46/431465446.db2.gz NGEQGVSHOWTLDH-UONOGXRCSA-N 0 0 302.443 3.438 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116775919 431527290 /nfs/dbraw/zinc/52/72/90/431527290.db2.gz SDZBAPVYZHPZJB-QGZVFWFLSA-N 0 0 320.481 3.494 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C#Cc1ccccc1 ZINC000176199052 279921440 /nfs/dbraw/zinc/92/14/40/279921440.db2.gz GNOKFBOWXIFPCK-QFBILLFUSA-N 0 0 305.377 3.027 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 ZINC000084109483 279924113 /nfs/dbraw/zinc/92/41/13/279924113.db2.gz ALBJQKJOCNSFCZ-WFASDCNBSA-N 0 0 312.394 3.222 10 30 DGEERN C=CCCCN(C)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000076492465 431552210 /nfs/dbraw/zinc/55/22/10/431552210.db2.gz PPJHSMRIJIPQHF-GOSISDBHSA-N 0 0 312.413 3.375 10 30 DGEERN C[C@H]1Sc2ccccc2N(C(=O)c2ccnc(C#N)c2)[C@@H]1C ZINC000193661759 280093428 /nfs/dbraw/zinc/09/34/28/280093428.db2.gz OGPOTFAUUOVRHL-VXGBXAGGSA-N 0 0 309.394 3.483 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000117776348 431576151 /nfs/dbraw/zinc/57/61/51/431576151.db2.gz OGJQHUZVXLJMJG-HNNXBMFYSA-N 0 0 324.380 3.478 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000129016985 280315850 /nfs/dbraw/zinc/31/58/50/280315850.db2.gz GTDBXUPBHSSAFF-HZPDHXFCSA-N 0 0 300.427 3.367 10 30 DGEERN C=CCSCCNC(=O)NCc1ccccc1OC1CCC1 ZINC000118478701 431606982 /nfs/dbraw/zinc/60/69/82/431606982.db2.gz WQIKSSXCHSRZKC-UHFFFAOYSA-N 0 0 320.458 3.336 10 30 DGEERN C[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCOCC1 ZINC000119046256 431640556 /nfs/dbraw/zinc/64/05/56/431640556.db2.gz PPBDLPHZPICINZ-GFCCVEGCSA-N 0 0 303.406 3.116 10 30 DGEERN COc1cccc([C@@H]2CN(Cc3cccc(C#N)c3)CCO2)c1 ZINC000119216833 431662662 /nfs/dbraw/zinc/66/26/62/431662662.db2.gz OVSNTZKGDXCNIA-IBGZPJMESA-N 0 0 308.381 3.140 10 30 DGEERN C#CCCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000120964525 431737648 /nfs/dbraw/zinc/73/76/48/431737648.db2.gz GXKYIEQAOUUWCR-OAHLLOKOSA-N 0 0 300.402 3.392 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000119915445 431719426 /nfs/dbraw/zinc/71/94/26/431719426.db2.gz BXOQTZZLAGDFAL-SFHVURJKSA-N 0 0 313.401 3.132 10 30 DGEERN Cc1csc([C@H](C#N)C(=O)Nc2nc3ccccc3s2)n1 ZINC000121950886 431807997 /nfs/dbraw/zinc/80/79/97/431807997.db2.gz JPELBAABGJMDMC-SECBINFHSA-N 0 0 314.395 3.307 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cs1)c1cccc(-n2ccnc2)c1 ZINC000084116221 431815982 /nfs/dbraw/zinc/81/59/82/431815982.db2.gz LTHUFTUKMBOIOP-LBPRGKRZSA-N 0 0 322.393 3.296 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1cccc(C(F)(F)F)c1 ZINC000080942282 431779237 /nfs/dbraw/zinc/77/92/37/431779237.db2.gz DVVVSOFHZNRJIC-SNVBAGLBSA-N 0 0 321.302 3.407 10 30 DGEERN N#Cc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)o1 ZINC000123055612 431853280 /nfs/dbraw/zinc/85/32/80/431853280.db2.gz RILHRWPZIBWCNC-UHFFFAOYSA-N 0 0 323.396 3.318 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000123137917 431856680 /nfs/dbraw/zinc/85/66/80/431856680.db2.gz NGAOYKNGYPYYNM-GOSISDBHSA-N 0 0 304.393 3.496 10 30 DGEERN N#Cc1ccc2ncc(CNc3cccc(OC(F)F)c3)n2c1 ZINC000123396630 431863766 /nfs/dbraw/zinc/86/37/66/431863766.db2.gz ADAJUEXNPGMBLI-UHFFFAOYSA-N 0 0 314.295 3.419 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000043165222 431867574 /nfs/dbraw/zinc/86/75/74/431867574.db2.gz ZXXCALPJUKABFY-QGZVFWFLSA-N 0 0 321.380 3.223 10 30 DGEERN CC(C)(C)C1CCC(O)(CNC(=O)c2cc(C#N)cs2)CC1 ZINC000084300236 431820515 /nfs/dbraw/zinc/82/05/15/431820515.db2.gz OEHRLOPFLXPZHZ-UHFFFAOYSA-N 0 0 320.458 3.317 10 30 DGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000035003447 431822425 /nfs/dbraw/zinc/82/24/25/431822425.db2.gz RTUJNMNBYUSXIH-GDNBJRDFSA-N 0 0 300.274 3.339 10 30 DGEERN C=CCOCCCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808639 431833458 /nfs/dbraw/zinc/83/34/58/431833458.db2.gz XYDJSSRVSBESGM-ZDUSSCGKSA-N 0 0 307.346 3.490 10 30 DGEERN N#Cc1ccc(F)cc1COc1cc(Cl)ccc1C(N)=O ZINC000122453613 431833638 /nfs/dbraw/zinc/83/36/38/431833638.db2.gz WKINTOYFUZDQIU-UHFFFAOYSA-N 0 0 304.708 3.029 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2ncccc2C#N)C1 ZINC000085332957 431838369 /nfs/dbraw/zinc/83/83/69/431838369.db2.gz ZRJNKHFCVBGTQR-ZDUSSCGKSA-N 0 0 319.430 3.445 10 30 DGEERN C=CCOc1ccc(CNc2ccc(C)c(-n3cnnn3)c2)cc1 ZINC000122590057 431838533 /nfs/dbraw/zinc/83/85/33/431838533.db2.gz RTNVFHPTLQMBEE-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN C=CCN(Cc1ccc(OC)c(OC)c1OC)CC(F)(F)F ZINC000092471852 431909364 /nfs/dbraw/zinc/90/93/64/431909364.db2.gz MYFXTEBBYSIBCC-UHFFFAOYSA-N 0 0 319.323 3.263 10 30 DGEERN CCC(CC)CN(CCC#N)Cc1cnc2ccc(C#N)cn12 ZINC000093101000 431913100 /nfs/dbraw/zinc/91/31/00/431913100.db2.gz TZHQERKFOPMXFK-UHFFFAOYSA-N 0 0 309.417 3.358 10 30 DGEERN N#Cc1cccc(OCCN2CCO[C@H](c3ccsc3)C2)c1 ZINC000125472668 431926257 /nfs/dbraw/zinc/92/62/57/431926257.db2.gz MXVOOVDQPSWAMD-KRWDZBQOSA-N 0 0 314.410 3.072 10 30 DGEERN N#CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000125259799 431919583 /nfs/dbraw/zinc/91/95/83/431919583.db2.gz AOXORJWAKVXOGF-KBPBESRZSA-N 0 0 304.340 3.363 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000094121428 431920065 /nfs/dbraw/zinc/92/00/65/431920065.db2.gz FJGGXYHPFIQXLK-UHFFFAOYSA-N 0 0 314.385 3.208 10 30 DGEERN C[C@H](Nc1ncncc1Br)c1ccc(C#N)cc1 ZINC000090780818 431894913 /nfs/dbraw/zinc/89/49/13/431894913.db2.gz IPMHAYUMEJKKNA-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101268 431902924 /nfs/dbraw/zinc/90/29/24/431902924.db2.gz SLSXJFPNGSGWGZ-RBUKOAKNSA-N 0 0 320.392 3.266 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1c(C)nn(C)c1Cl ZINC000092136217 431907345 /nfs/dbraw/zinc/90/73/45/431907345.db2.gz RAWHGKURMICRNP-UHFFFAOYSA-N 0 0 307.756 3.145 10 30 DGEERN C[C@@H](Nc1nccnc1C#N)c1cccc(Br)c1 ZINC000054377575 431971048 /nfs/dbraw/zinc/97/10/48/431971048.db2.gz IFPHJYATEXGZQI-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000127516349 431974243 /nfs/dbraw/zinc/97/42/43/431974243.db2.gz LNXFCQXEDMURNX-HNNXBMFYSA-N 0 0 322.836 3.432 10 30 DGEERN C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1nncs1 ZINC000048571954 431928406 /nfs/dbraw/zinc/92/84/06/431928406.db2.gz XXFYIAPQYKVEKC-VIFPVBQESA-N 0 0 310.810 3.473 10 30 DGEERN COc1cccc(O[C@H](C)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000125930193 431938660 /nfs/dbraw/zinc/93/86/60/431938660.db2.gz PRRUNUCFWUVQES-CQSZACIVSA-N 0 0 324.380 3.073 10 30 DGEERN COc1ccc(O[C@@H](C)CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000126027168 431941216 /nfs/dbraw/zinc/94/12/16/431941216.db2.gz NZXDDUNWZXMIDK-AWEZNQCLSA-N 0 0 324.380 3.073 10 30 DGEERN N#Cc1cnc(N2CCc3cc(-c4ccccc4)oc3C2)cn1 ZINC000126200298 431944686 /nfs/dbraw/zinc/94/46/86/431944686.db2.gz INDOTZZLHAVNRI-UHFFFAOYSA-N 0 0 302.337 3.171 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000126521699 431952476 /nfs/dbraw/zinc/95/24/76/431952476.db2.gz IRKFYWZGYRTVOF-WCQYABFASA-N 0 0 300.324 3.424 10 30 DGEERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)CCO2)o1 ZINC000127324864 431968714 /nfs/dbraw/zinc/96/87/14/431968714.db2.gz XGLVMYMLCCZBGV-JHTBKMLMSA-N 0 0 322.364 3.073 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000127304573 431968840 /nfs/dbraw/zinc/96/88/40/431968840.db2.gz PKXVOXYWTHINQU-MSOLQXFVSA-N 0 0 306.365 3.127 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000151860780 432283462 /nfs/dbraw/zinc/28/34/62/432283462.db2.gz QPIFWLAFDNSGCA-VBQJREDUSA-N 0 0 321.392 3.095 10 30 DGEERN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C#N)CC1 ZINC000057877371 431994075 /nfs/dbraw/zinc/99/40/75/431994075.db2.gz OMEPQDCGOPPQNS-INIZCTEOSA-N 0 0 313.445 3.048 10 30 DGEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(F)c(Cl)c1 ZINC000057995112 431994797 /nfs/dbraw/zinc/99/47/97/431994797.db2.gz IVFJXWYWASONBT-JTQLQIEISA-N 0 0 309.772 3.485 10 30 DGEERN C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000191435154 432265320 /nfs/dbraw/zinc/26/53/20/432265320.db2.gz GLJJDEAPBSGFNL-ZDUSSCGKSA-N 0 0 300.427 3.209 10 30 DGEERN CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1nccs1 ZINC000151707250 432268734 /nfs/dbraw/zinc/26/87/34/432268734.db2.gz QXWGDLWMGYUNHM-ZDUSSCGKSA-N 0 0 300.387 3.482 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183701379 432317331 /nfs/dbraw/zinc/31/73/31/432317331.db2.gz YJQISFUYGPSJQR-KRWDZBQOSA-N 0 0 324.355 3.299 10 30 DGEERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC#Cc1ccccc1 ZINC000192053428 432329221 /nfs/dbraw/zinc/32/92/21/432329221.db2.gz PJRNTPADHVSYER-OPAMFIHVSA-N 0 0 311.450 3.469 10 30 DGEERN C(#Cc1ccccc1)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000192128124 432334922 /nfs/dbraw/zinc/33/49/22/432334922.db2.gz CMUSEWOGMAXMAK-OAQYLSRUSA-N 0 0 303.405 3.212 10 30 DGEERN CCc1cccc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000183942411 432336185 /nfs/dbraw/zinc/33/61/85/432336185.db2.gz ZRFWLYFVWOFMKG-OAQYLSRUSA-N 0 0 318.420 3.359 10 30 DGEERN C#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000192191716 432342717 /nfs/dbraw/zinc/34/27/17/432342717.db2.gz JYRYZJDHFUNEHS-RDJZCZTQSA-N 0 0 322.811 3.144 10 30 DGEERN CC(C)(C(=O)NCc1cc(C#N)ccc1F)c1ccccc1F ZINC000174420290 432345582 /nfs/dbraw/zinc/34/55/82/432345582.db2.gz BKEABDZRNFBXOM-UHFFFAOYSA-N 0 0 314.335 3.430 10 30 DGEERN N#Cc1ccsc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174521878 432353878 /nfs/dbraw/zinc/35/38/78/432353878.db2.gz HJJBKJAQRCAGLU-CQSZACIVSA-N 0 0 304.415 3.184 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000248603230 432305078 /nfs/dbraw/zinc/30/50/78/432305078.db2.gz OLPSXBSCCGCTSL-HGTKMLMNSA-N 0 0 300.402 3.266 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccccc2Cl)cc1 ZINC000173908759 432306092 /nfs/dbraw/zinc/30/60/92/432306092.db2.gz OSHVATHMFDCDTR-UHFFFAOYSA-N 0 0 300.745 3.020 10 30 DGEERN CC(C)(C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173886273 432306278 /nfs/dbraw/zinc/30/62/78/432306278.db2.gz ZUBJFSKUVVEMMP-UHFFFAOYSA-N 0 0 308.381 3.031 10 30 DGEERN CCN(c1ccc(NC(=O)c2ccnc(C#N)c2)cc1)C(C)C ZINC000192485674 432380672 /nfs/dbraw/zinc/38/06/72/432380672.db2.gz COBKVWCBIYGKTA-UHFFFAOYSA-N 0 0 308.385 3.440 10 30 DGEERN CC[C@H](C)CN(CC)C(=O)NCCOc1ccc(C#N)cc1 ZINC000174944376 432382775 /nfs/dbraw/zinc/38/27/75/432382775.db2.gz PPABLPGWCGWFGE-AWEZNQCLSA-N 0 0 303.406 3.015 10 30 DGEERN C=C[C@H](CC(=O)NCc1cccnc1N(C)C)c1ccccc1 ZINC000153213922 432392128 /nfs/dbraw/zinc/39/21/28/432392128.db2.gz SAFLQACVGCFKQM-OAHLLOKOSA-N 0 0 309.413 3.124 10 30 DGEERN N#Cc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)ccn1 ZINC000192700090 432401193 /nfs/dbraw/zinc/40/11/93/432401193.db2.gz QXJXXMWNDOCANI-KRWDZBQOSA-N 0 0 306.369 3.106 10 30 DGEERN C=CCNC(=O)c1ccccc1N=Cc1ccc(N(C)C)cc1 ZINC000254296561 432402159 /nfs/dbraw/zinc/40/21/59/432402159.db2.gz IJMWUXNQUVGAEU-UHFFFAOYSA-N 0 0 307.397 3.419 10 30 DGEERN CC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1ccccn1 ZINC000254710332 432405341 /nfs/dbraw/zinc/40/53/41/432405341.db2.gz CLQYYXUSAQGRMT-UHFFFAOYSA-N 0 0 307.309 3.413 10 30 DGEERN Cn1cc(-c2cc(CSCc3ccc(C#N)cc3)on2)cn1 ZINC000184116116 432357201 /nfs/dbraw/zinc/35/72/01/432357201.db2.gz DKXCCKIZQNBORD-UHFFFAOYSA-N 0 0 310.382 3.380 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)CCCC)cc1 ZINC000192315978 432358526 /nfs/dbraw/zinc/35/85/26/432358526.db2.gz XDXWLBXIODENJN-UHFFFAOYSA-N 0 0 323.458 3.299 10 30 DGEERN Cc1ccc(C)c([C@@H]2CN(C(=O)C(C)(C)C#N)[C@@H](C)CO2)c1 ZINC000174706951 432367173 /nfs/dbraw/zinc/36/71/73/432367173.db2.gz CXPUNQUQVNOZNN-HOCLYGCPSA-N 0 0 300.402 3.142 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)c2c[nH]c3cc(F)ccc32)c1 ZINC000192959476 432434502 /nfs/dbraw/zinc/43/45/02/432434502.db2.gz XICKVIPIPIOYCL-UHFFFAOYSA-N 0 0 311.291 3.248 10 30 DGEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)(C)CC#N ZINC000184812132 432435039 /nfs/dbraw/zinc/43/50/39/432435039.db2.gz KTGJHVNSKSLXLY-LBPRGKRZSA-N 0 0 312.410 3.163 10 30 DGEERN CC(C)n1nnnc1CSCc1ccc(Cl)cc1C#N ZINC000184829368 432437563 /nfs/dbraw/zinc/43/75/63/432437563.db2.gz BXQPEOYGMYRWOW-UHFFFAOYSA-N 0 0 307.810 3.212 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)N2CCOC(C)(C)C2)cc1 ZINC000193045519 432441378 /nfs/dbraw/zinc/44/13/78/432441378.db2.gz CJSHBHMTWHPNEQ-UHFFFAOYSA-N 0 0 301.390 3.130 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000185164148 432473005 /nfs/dbraw/zinc/47/30/05/432473005.db2.gz BLBJZOLOCKQFIE-JKSUJKDBSA-N 0 0 302.374 3.402 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCC(=O)OC)Cc1ccccc1 ZINC000185128776 432470333 /nfs/dbraw/zinc/47/03/33/432470333.db2.gz GUUKCWOLETWLOC-OAHLLOKOSA-N 0 0 303.402 3.181 10 30 DGEERN Cc1ccc(SC[C@@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000185975914 432549969 /nfs/dbraw/zinc/54/99/69/432549969.db2.gz CZBYUCFFXPOFBV-CYBMUJFWSA-N 0 0 313.426 3.116 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000185978962 432551972 /nfs/dbraw/zinc/55/19/72/432551972.db2.gz SOGDRMGYANJYPZ-INIZCTEOSA-N 0 0 318.417 3.204 10 30 DGEERN Cc1cc(C#N)ccc1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000185995353 432553659 /nfs/dbraw/zinc/55/36/59/432553659.db2.gz JYMCYMNYPBDDAM-UHFFFAOYSA-N 0 0 319.339 3.278 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000186164451 432563697 /nfs/dbraw/zinc/56/36/97/432563697.db2.gz YABGOAOOIVDIPG-WBVHZDCISA-N 0 0 316.445 3.123 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000185613584 432517336 /nfs/dbraw/zinc/51/73/36/432517336.db2.gz PBTVPNANOKGCIV-ZDUSSCGKSA-N 0 0 307.463 3.004 10 30 DGEERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C#N)cn1C ZINC000176563302 432533762 /nfs/dbraw/zinc/53/37/62/432533762.db2.gz VCCIYXVELJELBT-LLVKDONJSA-N 0 0 324.409 3.340 10 30 DGEERN CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000176660329 432542285 /nfs/dbraw/zinc/54/22/85/432542285.db2.gz LFZYDBKUSXKGLY-CYBMUJFWSA-N 0 0 311.385 3.175 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000185912564 432544538 /nfs/dbraw/zinc/54/45/38/432544538.db2.gz ZNSWTFMGQSDSBS-OLZOCXBDSA-N 0 0 303.402 3.237 10 30 DGEERN C=CC[C@H](CO)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000185924653 432546110 /nfs/dbraw/zinc/54/61/10/432546110.db2.gz XZGDVEODPFRCCX-OAHLLOKOSA-N 0 0 315.413 3.460 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000185930685 432546808 /nfs/dbraw/zinc/54/68/08/432546808.db2.gz DVHJSPURTDPEMH-CQSZACIVSA-N 0 0 313.422 3.181 10 30 DGEERN C=CCOc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000263466623 432547103 /nfs/dbraw/zinc/54/71/03/432547103.db2.gz CRYGLRKELCZZTQ-SZMVWBNQSA-N 0 0 315.413 3.469 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000185949751 432547663 /nfs/dbraw/zinc/54/76/63/432547663.db2.gz ORRUOSYSVYBURY-SECBINFHSA-N 0 0 307.699 3.026 10 30 DGEERN C=C(C)CNC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000156823946 432607704 /nfs/dbraw/zinc/60/77/04/432607704.db2.gz ODKFJLSDFMHLJB-HNNXBMFYSA-N 0 0 304.390 3.126 10 30 DGEERN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1c(F)cc(C#N)cc1F)N2 ZINC000195268362 432615227 /nfs/dbraw/zinc/61/52/27/432615227.db2.gz MQTCZWLNIJUAED-MRXNPFEDSA-N 0 0 313.307 3.341 10 30 DGEERN C=CCn1c(S[C@@H](C)c2cccc(Cl)c2F)n[nH]c1=O ZINC000186630965 432615270 /nfs/dbraw/zinc/61/52/70/432615270.db2.gz AFXRMBYIDOQJGU-QMMMGPOBSA-N 0 0 313.785 3.403 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000186187022 432566687 /nfs/dbraw/zinc/56/66/87/432566687.db2.gz OLKJOEIJIBSVQC-DOTOQJQBSA-N 0 0 304.434 3.318 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000176957892 432569908 /nfs/dbraw/zinc/56/99/08/432569908.db2.gz CGBVRGKPXOQYGA-LLVKDONJSA-N 0 0 306.793 3.380 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000273256168 432574104 /nfs/dbraw/zinc/57/41/04/432574104.db2.gz XCIOTGCZNBQMOO-QGZVFWFLSA-N 0 0 308.385 3.107 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000273435811 432598464 /nfs/dbraw/zinc/59/84/64/432598464.db2.gz LZFKWMROXBGFSU-SECBINFHSA-N 0 0 304.724 3.336 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000186673379 432620906 /nfs/dbraw/zinc/62/09/06/432620906.db2.gz YYYCUNVKIAKONB-LLVKDONJSA-N 0 0 302.683 3.391 10 30 DGEERN C=CCC[C@@H](CC)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000186678366 432621123 /nfs/dbraw/zinc/62/11/23/432621123.db2.gz OYLCWCBDDZQMJO-CYBMUJFWSA-N 0 0 308.447 3.165 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000186677503 432621205 /nfs/dbraw/zinc/62/12/05/432621205.db2.gz UWCDRMLKEYEAIB-AWEZNQCLSA-N 0 0 317.433 3.124 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186808756 432632320 /nfs/dbraw/zinc/63/23/20/432632320.db2.gz DFPNCOVHBFLJEJ-SUMWQHHRSA-N 0 0 315.392 3.367 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCCNc3ccccc3)CC2)cc1 ZINC000186798556 432632604 /nfs/dbraw/zinc/63/26/04/432632604.db2.gz HJTRSLCNCBLKDK-UHFFFAOYSA-N 0 0 319.408 3.208 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000274271799 432645812 /nfs/dbraw/zinc/64/58/12/432645812.db2.gz HMSSLXYHYGDLFU-NSHDSACASA-N 0 0 321.373 3.031 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000274292705 432646626 /nfs/dbraw/zinc/64/66/26/432646626.db2.gz OSRCYSOQZHHJIC-OAHLLOKOSA-N 0 0 301.434 3.290 10 30 DGEERN CN(Cc1ccccc1F)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187165470 432650353 /nfs/dbraw/zinc/65/03/53/432650353.db2.gz DVUZMYUFZTWJSY-UHFFFAOYSA-N 0 0 308.356 3.388 10 30 DGEERN COc1ccc(CN2CCO[C@H](c3ccc(C)o3)C2)cc1C#N ZINC000158607538 432651610 /nfs/dbraw/zinc/65/16/10/432651610.db2.gz NQOOHBBVXQAYDM-SFHVURJKSA-N 0 0 312.369 3.042 10 30 DGEERN Cc1ccccc1CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187235494 432654912 /nfs/dbraw/zinc/65/49/12/432654912.db2.gz IDPUWOKCDDMTHA-UHFFFAOYSA-N 0 0 304.393 3.257 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000274346777 432655228 /nfs/dbraw/zinc/65/52/28/432655228.db2.gz 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/nfs/dbraw/zinc/68/37/92/432683792.db2.gz GUGOIXUWYAEDRW-INIZCTEOSA-N 0 0 318.371 3.378 10 30 DGEERN N#Cc1c(F)cccc1C(=O)Nc1cncc(Br)c1 ZINC000188858582 432749120 /nfs/dbraw/zinc/74/91/20/432749120.db2.gz JHQHMGOZVMIEBH-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1nccs1 ZINC000161114097 432759239 /nfs/dbraw/zinc/75/92/39/432759239.db2.gz DJHJPCOTKYTZIG-WCQYABFASA-N 0 0 314.414 3.083 10 30 DGEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000189013947 432759287 /nfs/dbraw/zinc/75/92/87/432759287.db2.gz TYGROOGXYCFIFG-CJNGLKHVSA-N 0 0 302.374 3.123 10 30 DGEERN COc1c(C)cnc(CN(C)C(=O)c2ccc(C#N)cc2C)c1C ZINC000178649328 432761289 /nfs/dbraw/zinc/76/12/89/432761289.db2.gz LAXAHKSLGIHLNM-UHFFFAOYSA-N 0 0 323.396 3.159 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000189068822 432762015 /nfs/dbraw/zinc/76/20/15/432762015.db2.gz SPHOOCQFUCRHRJ-YVEFUNNKSA-N 0 0 309.381 3.240 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](C)SC ZINC000161514122 432782489 /nfs/dbraw/zinc/78/24/89/432782489.db2.gz XTIBODYRAOJEPA-GFCCVEGCSA-N 0 0 308.403 3.251 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161304685 432772023 /nfs/dbraw/zinc/77/20/23/432772023.db2.gz KSZVVUPTNIMRAU-UHFFFAOYSA-N 0 0 300.358 3.248 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2csc(Cl)c2)cc1 ZINC000189328783 432778125 /nfs/dbraw/zinc/77/81/25/432778125.db2.gz PDEQHXTUJWDRRK-UHFFFAOYSA-N 0 0 306.774 3.082 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](C)SC ZINC000161513977 432782855 /nfs/dbraw/zinc/78/28/55/432782855.db2.gz XTIBODYRAOJEPA-LBPRGKRZSA-N 0 0 308.403 3.251 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)Nc1cccc(C#N)c1C ZINC000188489040 432728839 /nfs/dbraw/zinc/72/88/39/432728839.db2.gz KZXIBHSSGKSLQE-LBPRGKRZSA-N 0 0 310.357 3.153 10 30 DGEERN CC(F)(F)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000188556353 432731903 /nfs/dbraw/zinc/73/19/03/432731903.db2.gz YMVCYQTXGKYJJF-UHFFFAOYSA-N 0 0 322.336 3.471 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000188561579 432731969 /nfs/dbraw/zinc/73/19/69/432731969.db2.gz CAUMTMNPYBSPCP-QGZVFWFLSA-N 0 0 309.381 3.069 10 30 DGEERN C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1F ZINC000188596361 432733549 /nfs/dbraw/zinc/73/35/49/432733549.db2.gz VFHYFXXWIIMBAS-JTQLQIEISA-N 0 0 316.307 3.076 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000188667903 432737565 /nfs/dbraw/zinc/73/75/65/432737565.db2.gz DVFRSDUGZJMIPD-KVSKMBFKSA-N 0 0 317.429 3.204 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3ccc(C#N)cc3C)c2)n[nH]1 ZINC000162241768 432816998 /nfs/dbraw/zinc/81/69/98/432816998.db2.gz BYFJRIJMUMEQKO-UHFFFAOYSA-N 0 0 317.352 3.213 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000277137828 432830525 /nfs/dbraw/zinc/83/05/25/432830525.db2.gz DHDIMIMILNYMHX-NVRFMJDISA-N 0 0 324.424 3.315 10 30 DGEERN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000161733043 432794713 /nfs/dbraw/zinc/79/47/13/432794713.db2.gz 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/nfs/dbraw/zinc/89/22/65/432892265.db2.gz KMRQBHFCVNXFCB-REBRKWNGSA-N 0 0 317.389 3.210 10 30 DGEERN CN(C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CCNC1=O ZINC000330192148 432896199 /nfs/dbraw/zinc/89/61/99/432896199.db2.gz XOZWOFDKNAUCJV-XHSDSOJGSA-N 0 0 315.417 3.287 10 30 DGEERN C=CC[C@H]1N(C(=O)[C@@H]2CCCc3n[nH]cc32)CCCC1(C)C ZINC000278387582 432893087 /nfs/dbraw/zinc/89/30/87/432893087.db2.gz JPSDZHNAMSVRJQ-CZUORRHYSA-N 0 0 301.434 3.423 10 30 DGEERN C[C@H](NC(=O)[C@@H]1CCCOCC1)c1ccc2c(c1)OCCO2 ZINC000330114994 432893143 /nfs/dbraw/zinc/89/31/43/432893143.db2.gz FHGNVPRXNRQZHQ-QWHCGFSZSA-N 0 0 305.374 3.292 10 30 DGEERN C=CCC(CC=C)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000268185254 432853219 /nfs/dbraw/zinc/85/32/19/432853219.db2.gz UOABRIJSDZCDAS-UHFFFAOYSA-N 0 0 319.401 3.097 10 30 DGEERN CN(C(=O)NC1CCC2(CCCCC2)CC1)[C@@H]1CCNC1=O ZINC000329848016 288773007 /nfs/dbraw/zinc/77/30/07/288773007.db2.gz NCIXLZGMSGZNFO-CQSZACIVSA-N 0 0 307.438 3.454 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(C2CC2)n1 ZINC000296736227 432925820 /nfs/dbraw/zinc/92/58/20/432925820.db2.gz COPZXZZTBCSKNS-CJNGLKHVSA-N 0 0 301.390 3.062 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2cccc(N3CCNC3=O)c2)no1 ZINC000289181041 432931196 /nfs/dbraw/zinc/93/11/96/432931196.db2.gz PNVSVAXJKMEVJW-GFCCVEGCSA-N 0 0 312.373 3.336 10 30 DGEERN C=CCOc1ccccc1CNc1nc(C(=O)OCC)cs1 ZINC000297031735 432950616 /nfs/dbraw/zinc/95/06/16/432950616.db2.gz HIRGVBGGPXJJHL-UHFFFAOYSA-N 0 0 318.398 3.497 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000296961570 432943563 /nfs/dbraw/zinc/94/35/63/432943563.db2.gz QGXPMLIDAYXIBN-OWSLCNJRSA-N 0 0 314.429 3.071 10 30 DGEERN C[C@H](CC1CCCCC1)NC(=O)N1CCc2cncnc2C1 ZINC000330222264 432898947 /nfs/dbraw/zinc/89/89/47/432898947.db2.gz MGADDJYYNUYIRY-CYBMUJFWSA-N 0 0 302.422 3.108 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000289505500 432966916 /nfs/dbraw/zinc/96/69/16/432966916.db2.gz QISDKVUMIKDCIR-UHFFFAOYSA-N 0 0 317.838 3.073 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000289613724 432969584 /nfs/dbraw/zinc/96/95/84/432969584.db2.gz HUZUHYDQNYXJRJ-CYBMUJFWSA-N 0 0 309.373 3.446 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(COc2ccc(OC)cc2)no1 ZINC000290071781 432988533 /nfs/dbraw/zinc/98/85/33/432988533.db2.gz KDXKTZGBPZJYCA-KRWDZBQOSA-N 0 0 318.373 3.137 10 30 DGEERN C=C(Cl)CNCc1cc(Br)c(O)c(OCC)c1 ZINC000297294873 432989542 /nfs/dbraw/zinc/98/95/42/432989542.db2.gz AUGDQBFWTDBSLJ-UHFFFAOYSA-N 0 0 320.614 3.396 10 30 DGEERN N#Cc1cccc(CNCc2ccn(Cc3ccccc3)n2)c1 ZINC000341261274 433008992 /nfs/dbraw/zinc/00/89/92/433008992.db2.gz BGSUQZQXGDCNDY-UHFFFAOYSA-N 0 0 302.381 3.093 10 30 DGEERN N#Cc1ccc(CNCc2ccn(Cc3ccccc3)n2)s1 ZINC000341271543 433011976 /nfs/dbraw/zinc/01/19/76/433011976.db2.gz OERDAYXJCFDXCF-UHFFFAOYSA-N 0 0 308.410 3.154 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)[C@@H]2CCc3ccccc32)cc1 ZINC000297810816 433020087 /nfs/dbraw/zinc/02/00/87/433020087.db2.gz YTOTXJVZVSNVOK-LJQANCHMSA-N 0 0 304.393 3.497 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCOC[C@H]1C ZINC000280405299 433046041 /nfs/dbraw/zinc/04/60/41/433046041.db2.gz OLPXGQOWVMZPPT-WBVHZDCISA-N 0 0 302.418 3.199 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000298103402 433049261 /nfs/dbraw/zinc/04/92/61/433049261.db2.gz YEOJJELQMUMXTL-UHFFFAOYSA-N 0 0 313.401 3.342 10 30 DGEERN C[C@H](NC(=O)N[C@H]1CCCC12CCOCC2)c1ccncc1F ZINC000328760705 289233854 /nfs/dbraw/zinc/23/38/54/289233854.db2.gz XLNWHQZYPXEJJG-WFASDCNBSA-N 0 0 321.396 3.135 10 30 DGEERN C=CCCCN(C)C(=O)c1cn(-c2cccc(F)c2)nc1C ZINC000412125846 433062346 /nfs/dbraw/zinc/06/23/46/433062346.db2.gz LQHAYTZLEJXOOQ-UHFFFAOYSA-N 0 0 301.365 3.358 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccc2cc[nH]c(=O)c2c1)OCC ZINC000425109798 433099224 /nfs/dbraw/zinc/09/92/24/433099224.db2.gz AFHBHJDXNKGXMC-HNNXBMFYSA-N 0 0 300.358 3.250 10 30 DGEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000460945401 433072475 /nfs/dbraw/zinc/07/24/75/433072475.db2.gz AQFFUWYYODHUPX-AWEZNQCLSA-N 0 0 320.481 3.447 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O ZINC000419943325 433083391 /nfs/dbraw/zinc/08/33/91/433083391.db2.gz PNIMSALLMHFULO-HOTGVXAUSA-N 0 0 311.385 3.308 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nc(C)nc2sc3c(c21)CCC3 ZINC000425275582 433142573 /nfs/dbraw/zinc/14/25/73/433142573.db2.gz BXGCFZSKSXYDDP-AAEUAGOBSA-N 0 0 315.442 3.491 10 30 DGEERN C=CC[C@H]1N(C(=O)[C@H]2CC[C@@H](C(=O)OC)C2)CCCC1(C)C ZINC000412292746 433142978 /nfs/dbraw/zinc/14/29/78/433142978.db2.gz MWSDMGJBRVVDKL-RRFJBIMHSA-N 0 0 307.434 3.169 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000425289020 433146827 /nfs/dbraw/zinc/14/68/27/433146827.db2.gz YPURGYGTERZBRU-LRDDRELGSA-N 0 0 313.357 3.454 10 30 DGEERN C[C@@H]1OCC[C@@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280729175 433151127 /nfs/dbraw/zinc/15/11/27/433151127.db2.gz NBDJAXQNACPOLT-LRDDRELGSA-N 0 0 310.401 3.073 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000290568114 433101298 /nfs/dbraw/zinc/10/12/98/433101298.db2.gz ZSQOQAFJHBZWNX-MLGOLLRUSA-N 0 0 300.381 3.499 10 30 DGEERN C=CCN(CC=C)C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000361449084 433177077 /nfs/dbraw/zinc/17/70/77/433177077.db2.gz KAHCJAFOZSCEKC-UHFFFAOYSA-N 0 0 322.408 3.269 10 30 DGEERN N#CC1CCC(CNC(=O)N2CC(Cc3ccccc3)C2)CC1 ZINC000374242124 433179354 /nfs/dbraw/zinc/17/93/54/433179354.db2.gz UAHRIFCVOQFTRH-UHFFFAOYSA-N 0 0 311.429 3.200 10 30 DGEERN C=CCn1c(N(C)[C@@H](C)CCSC)nnc1[C@@]1(C)CCCO1 ZINC000453441943 433185890 /nfs/dbraw/zinc/18/58/90/433185890.db2.gz OWKZBGCKDMPMMO-XJKSGUPXSA-N 0 0 324.494 3.068 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1C[C@@H](CC)CC[C@H]1C ZINC000453449148 433189517 /nfs/dbraw/zinc/18/95/17/433189517.db2.gz DYLPENWTTSWYPN-CABCVRRESA-N 0 0 306.454 3.406 10 30 DGEERN C=CCn1c(N2CCC[C@H]2C(C)C)nnc1[C@@]1(C)CCCO1 ZINC000453444800 433189743 /nfs/dbraw/zinc/18/97/43/433189743.db2.gz SXVKNXJPTMMUJW-WMLDXEAASA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448873 433191307 /nfs/dbraw/zinc/19/13/07/433191307.db2.gz ZJYJBRRWJGFTKI-RDTXWAMCSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453454083 433195213 /nfs/dbraw/zinc/19/52/13/433195213.db2.gz POWHUFNQYSHXPS-GOSISDBHSA-N 0 0 316.449 3.129 10 30 DGEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453454085 433195273 /nfs/dbraw/zinc/19/52/73/433195273.db2.gz POWHUFNQYSHXPS-SFHVURJKSA-N 0 0 316.449 3.129 10 30 DGEERN C=C(C)Cn1c(N2CCCCCC2)nnc1[C@@]1(C)CCCO1 ZINC000453462598 433198011 /nfs/dbraw/zinc/19/80/11/433198011.db2.gz IHHJOXBQVTVGCU-QGZVFWFLSA-N 0 0 304.438 3.260 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@@H](C)C1 ZINC000453465685 433200274 /nfs/dbraw/zinc/20/02/74/433200274.db2.gz NMYRFTPCPQSNEQ-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN Cn1c2cc(NCc3ccc(F)c(C#N)c3)ccc2ccc1=O ZINC000447409635 433203239 /nfs/dbraw/zinc/20/32/39/433203239.db2.gz XAORIEQDCPHPRI-UHFFFAOYSA-N 0 0 307.328 3.161 10 30 DGEERN C=CCC1(C(=O)Nc2nccc(-c3ccccc3)n2)CCOCC1 ZINC000425411494 433226211 /nfs/dbraw/zinc/22/62/11/433226211.db2.gz DOKCVPROYGLCRX-UHFFFAOYSA-N 0 0 323.396 3.455 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OC)cc2OC)CCOCC1 ZINC000425409572 433229837 /nfs/dbraw/zinc/22/98/37/433229837.db2.gz VJFZGCWKMWLLKI-UHFFFAOYSA-N 0 0 305.374 3.015 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)CC(C)(C)C ZINC000291461210 433243140 /nfs/dbraw/zinc/24/31/40/433243140.db2.gz IDVSRRMSOCQVCD-KRWDZBQOSA-N 0 0 314.429 3.260 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(CSCC)cc1 ZINC000453641673 433256803 /nfs/dbraw/zinc/25/68/03/433256803.db2.gz ARKKHCPLMBFHPQ-UHFFFAOYSA-N 0 0 320.458 3.303 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000281131921 433261963 /nfs/dbraw/zinc/26/19/63/433261963.db2.gz YUMYREDFQOXNEZ-CHWSQXEVSA-N 0 0 306.406 3.419 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447717236 433262069 /nfs/dbraw/zinc/26/20/69/433262069.db2.gz DIOVFQUFGKCDDA-RNCFNFMXSA-N 0 0 319.298 3.368 10 30 DGEERN C#Cc1ccccc1CC(=O)OCc1nnc(C(C)(C)C)s1 ZINC000291542538 433264900 /nfs/dbraw/zinc/26/49/00/433264900.db2.gz XTHXCNALTVENSD-UHFFFAOYSA-N 0 0 314.410 3.103 10 30 DGEERN C=CCC[C@H](NC(=O)N1C[C@H](O)CC[C@H]1C)c1ccccc1 ZINC000420823713 433267994 /nfs/dbraw/zinc/26/79/94/433267994.db2.gz VZWNMPHLPTYGQW-OIISXLGYSA-N 0 0 302.418 3.249 10 30 DGEERN C=CC(C)(C)CNC(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000453878974 433267959 /nfs/dbraw/zinc/26/79/59/433267959.db2.gz ISWDGXPYGGSUBK-UHFFFAOYSA-N 0 0 302.418 3.385 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C#N)cc2C(C)=O)CCOCC1 ZINC000425615569 433322659 /nfs/dbraw/zinc/32/26/59/433322659.db2.gz ZODRUJDCEBVWOU-UHFFFAOYSA-N 0 0 312.369 3.072 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281190406 433269749 /nfs/dbraw/zinc/26/97/49/433269749.db2.gz SAVSLXUATFANDK-HZPDHXFCSA-N 0 0 314.429 3.100 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000281428488 433299973 /nfs/dbraw/zinc/29/99/73/433299973.db2.gz NMTSDEFUWMTEJQ-KDOFPFPSSA-N 0 0 323.383 3.385 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)Cc1ccccc1 ZINC000425572020 433305944 /nfs/dbraw/zinc/30/59/44/433305944.db2.gz ITCAHUKLDZGMBQ-IRXDYDNUSA-N 0 0 302.418 3.199 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000425583762 433310096 /nfs/dbraw/zinc/31/00/96/433310096.db2.gz PBKRRQCJURQCFK-KSZLIROESA-N 0 0 314.429 3.433 10 30 DGEERN N#Cc1cc(COc2cc(Cl)ccc2C(N)=O)ccc1F ZINC000158558028 292771265 /nfs/dbraw/zinc/77/12/65/292771265.db2.gz KSCKPZZMZSOIFX-UHFFFAOYSA-N 0 0 304.708 3.029 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC(C)(C#N)CC1 ZINC000361716536 433359909 /nfs/dbraw/zinc/35/99/09/433359909.db2.gz ISTBNGZYRBBBFN-UHFFFAOYSA-N 0 0 314.385 3.026 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000425874716 433366474 /nfs/dbraw/zinc/36/64/74/433366474.db2.gz LOUNFVSJYALEBG-JONQDZQNSA-N 0 0 308.466 3.434 10 30 DGEERN C=CCOc1ccccc1CNC(=O)C[C@H](O)CC(C)(C)C ZINC000291848236 433371608 /nfs/dbraw/zinc/37/16/08/433371608.db2.gz FWYZKOQSVYUAMN-HNNXBMFYSA-N 0 0 305.418 3.055 10 30 DGEERN C=CCCS(=O)(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447946351 433330154 /nfs/dbraw/zinc/33/01/54/433330154.db2.gz UUEJPFJMIMVRMC-YOEHRIQHSA-N 0 0 307.459 3.409 10 30 DGEERN C=CCCCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000447964947 433333824 /nfs/dbraw/zinc/33/38/24/433333824.db2.gz HGRYGYCSGRZVNE-KRWDZBQOSA-N 0 0 316.401 3.174 10 30 DGEERN C=CCCCNC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000447981142 433338096 /nfs/dbraw/zinc/33/80/96/433338096.db2.gz ZFKYSLWOOPVPRS-CYBMUJFWSA-N 0 0 304.390 3.002 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1OC ZINC000413993383 433340480 /nfs/dbraw/zinc/34/04/80/433340480.db2.gz ZIENSYZMEPTRDC-KZNAEPCWSA-N 0 0 301.430 3.495 10 30 DGEERN C=CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447996757 433342981 /nfs/dbraw/zinc/34/29/81/433342981.db2.gz FTHMIROMCZFELF-UHFFFAOYSA-N 0 0 311.769 3.056 10 30 DGEERN C=CCN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000448340698 433386344 /nfs/dbraw/zinc/38/63/44/433386344.db2.gz DISONCHRVFDMFB-UHFFFAOYSA-N 0 0 314.263 3.404 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cc(C2(C)CCCC2)on1)OCC ZINC000448417649 433406950 /nfs/dbraw/zinc/40/69/50/433406950.db2.gz ZLYLATYHYUCIAL-CYBMUJFWSA-N 0 0 306.406 3.816 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cc(-c2ccccc2F)on1)OCC ZINC000448493376 433414757 /nfs/dbraw/zinc/41/47/57/433414757.db2.gz VNZYYMDAMOIJJH-AWEZNQCLSA-N 0 0 318.348 3.791 10 30 DGEERN C=CC(C)(C)CNC(=O)NCCCCOCc1ccccc1 ZINC000454416145 433418239 /nfs/dbraw/zinc/41/82/39/433418239.db2.gz WRSQXACHCPVDTO-UHFFFAOYSA-N 0 0 304.434 3.495 10 30 DGEERN N#Cc1nccnc1N[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000301193443 433446724 /nfs/dbraw/zinc/44/67/24/433446724.db2.gz SOIKUWIGVZZSMD-NEPJUHHUSA-N 0 0 315.174 3.079 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000448619155 433460253 /nfs/dbraw/zinc/46/02/53/433460253.db2.gz UQVHTPZMFVPECX-UHFFFAOYSA-N 0 0 321.384 3.323 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2OC[C@H]1C ZINC000175347621 290184623 /nfs/dbraw/zinc/18/46/23/290184623.db2.gz CJRZIMZUGZXFOK-KGLIPLIRSA-N 0 0 322.364 3.140 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N(C)CCc1ncc(C)s1 ZINC000282284455 433550903 /nfs/dbraw/zinc/55/09/03/433550903.db2.gz NGULWRKCEUPXMU-UHFFFAOYSA-N 0 0 317.462 3.175 10 30 DGEERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C#N)n1C ZINC000448803068 433557795 /nfs/dbraw/zinc/55/77/95/433557795.db2.gz AFZRWVRVOBFUOK-AWEZNQCLSA-N 0 0 309.413 3.383 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000448810720 433563452 /nfs/dbraw/zinc/56/34/52/433563452.db2.gz JEWDUCJAOHNNCF-KRWDZBQOSA-N 0 0 305.381 3.189 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000426714240 433568405 /nfs/dbraw/zinc/56/84/05/433568405.db2.gz CBASQYFSDIZLCJ-BJWYYQGGSA-N 0 0 300.402 3.191 10 30 DGEERN N#Cc1cc(NC[C@@H]2CCC[C@H]2O)nc2ccc(Cl)cc12 ZINC000301476117 433573713 /nfs/dbraw/zinc/57/37/13/433573713.db2.gz STVWGEBCICDVPC-ZUZCIYMTSA-N 0 0 301.777 3.333 10 30 DGEERN C#CC[C@H](NC(=O)NCCCc1nccs1)c1ccccc1 ZINC000292533211 433581089 /nfs/dbraw/zinc/58/10/89/433581089.db2.gz PRUAAJVBNYDSOM-HNNXBMFYSA-N 0 0 313.426 3.140 10 30 DGEERN CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(C#N)n1C ZINC000448855924 433582510 /nfs/dbraw/zinc/58/25/10/433582510.db2.gz HAUQWTJKSBZMMY-OAHLLOKOSA-N 0 0 311.385 3.177 10 30 DGEERN COc1ccc(OC)c(CN(c2ccc(C#N)nc2)C2CC2)c1 ZINC000301503677 433582728 /nfs/dbraw/zinc/58/27/28/433582728.db2.gz HSSJUCSSHCRNSA-UHFFFAOYSA-N 0 0 309.369 3.139 10 30 DGEERN C=CCN1CC[C@H](N2CC[C@H](C(F)(F)F)c3ccccc32)C1=O ZINC000292751939 433590132 /nfs/dbraw/zinc/59/01/32/433590132.db2.gz NWYSKVNNECCOCE-ZFWWWQNUSA-N 0 0 324.346 3.330 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000282270001 433545905 /nfs/dbraw/zinc/54/59/05/433545905.db2.gz MANGTJICIACJPH-LBPRGKRZSA-N 0 0 316.371 3.441 10 30 DGEERN Cc1cc(C#N)cc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342352941 433630648 /nfs/dbraw/zinc/63/06/48/433630648.db2.gz VFXPZEBLLWRMCU-QGZVFWFLSA-N 0 0 320.440 3.363 10 30 DGEERN COc1ccc(CSc2ncn(-c3ccccc3)n2)cc1C#N ZINC000162248639 292850230 /nfs/dbraw/zinc/85/02/30/292850230.db2.gz JLGXTKZVHRJXIR-UHFFFAOYSA-N 0 0 322.393 3.440 10 30 DGEERN C=CCOc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426799821 433604170 /nfs/dbraw/zinc/60/41/70/433604170.db2.gz JGGUXYNFCFFGBS-KRWDZBQOSA-N 0 0 315.344 3.306 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000448903009 433606761 /nfs/dbraw/zinc/60/67/61/433606761.db2.gz XFENFCQIGVUIPN-UHFFFAOYSA-N 0 0 315.804 3.258 10 30 DGEERN C=CCC1(NC(=O)[C@H](C)Oc2cccc(CO)c2)CCCCC1 ZINC000456359174 433613879 /nfs/dbraw/zinc/61/38/79/433613879.db2.gz BOZVIRZCPNQWNC-HNNXBMFYSA-N 0 0 317.429 3.341 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000448941808 433623516 /nfs/dbraw/zinc/62/35/16/433623516.db2.gz OPEZASBSSSSFQL-INIZCTEOSA-N 0 0 320.396 3.189 10 30 DGEERN C=CCC[C@@H](C(=O)N1CC(OCCCOC)C1)c1ccccc1 ZINC000427238104 433681828 /nfs/dbraw/zinc/68/18/28/433681828.db2.gz SXPHQSCLQQNIAR-GOSISDBHSA-N 0 0 317.429 3.000 10 30 DGEERN C=CCC1(CNC(=O)c2ccc(-n3cncn3)cc2)CCCC1 ZINC000456482270 433685223 /nfs/dbraw/zinc/68/52/23/433685223.db2.gz DQMGDDBTKXDDSJ-UHFFFAOYSA-N 0 0 310.401 3.134 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1OC(C)C ZINC000421718692 433704132 /nfs/dbraw/zinc/70/41/32/433704132.db2.gz OYXXCRKEEISCFX-GFCCVEGCSA-N 0 0 304.390 3.114 10 30 DGEERN C[C@H](O)[C@@H]1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000301755130 433708759 /nfs/dbraw/zinc/70/87/59/433708759.db2.gz CXEFLFIXRFOJSA-NWDGAFQWSA-N 0 0 315.804 3.357 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N(CC)C1CC(C)(C)C1 ZINC000414541666 433708842 /nfs/dbraw/zinc/70/88/42/433708842.db2.gz QNJOZKNNMSFXLN-UHFFFAOYSA-N 0 0 306.454 3.406 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414543364 433709065 /nfs/dbraw/zinc/70/90/65/433709065.db2.gz SXVPXJAVPVPOTC-GDBMZVCRSA-N 0 0 318.465 3.373 10 30 DGEERN COCCOc1ccc(CNc2cc(C)nc(C)c2C#N)cc1 ZINC000301769012 433716603 /nfs/dbraw/zinc/71/66/03/433716603.db2.gz ILESCUQJGBZJAL-UHFFFAOYSA-N 0 0 311.385 3.207 10 30 DGEERN Cc1cc(Nc2cccc(N3CCOC3=O)c2)c(C#N)c(C)n1 ZINC000301779764 433720745 /nfs/dbraw/zinc/72/07/45/433720745.db2.gz MSATZASPRNQUIS-UHFFFAOYSA-N 0 0 308.341 3.270 10 30 DGEERN CC(=O)N1CCc2cc(Nc3cc(C)nc(C)c3C#N)ccc21 ZINC000301803700 433733077 /nfs/dbraw/zinc/73/30/77/433733077.db2.gz WYENMDHJKZWJSZ-UHFFFAOYSA-N 0 0 306.369 3.223 10 30 DGEERN C[S@](=O)Cc1cc(Nc2cccc(C#N)n2)ccc1Cl ZINC000301805957 433733391 /nfs/dbraw/zinc/73/33/91/433733391.db2.gz ABIRTZIEOPVZNI-FQEVSTJZSA-N 0 0 305.790 3.229 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456600356 433745546 /nfs/dbraw/zinc/74/55/46/433745546.db2.gz BPWYYNVDIWPNRX-SOUVJXGZSA-N 0 0 314.429 3.071 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000283574546 433748744 /nfs/dbraw/zinc/74/87/44/433748744.db2.gz KANYDTJJYJSSHK-INIZCTEOSA-N 0 0 317.433 3.126 10 30 DGEERN COc1cccc(COCCNc2snc(Cl)c2C#N)c1 ZINC000301833831 433749251 /nfs/dbraw/zinc/74/92/51/433749251.db2.gz VDAUFZDMWUARBH-UHFFFAOYSA-N 0 0 323.805 3.305 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1cn(C(C)C)nn1 ZINC000427532846 433724852 /nfs/dbraw/zinc/72/48/52/433724852.db2.gz CITAFYVCOOHWDX-UHFFFAOYSA-N 0 0 301.390 3.484 10 30 DGEERN C=CC[C@@H](C(=O)Nc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000429284347 433774902 /nfs/dbraw/zinc/77/49/02/433774902.db2.gz COEQCNWXSNJJGF-LLVKDONJSA-N 0 0 309.291 3.727 10 30 DGEERN C=CCO[C@H]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000302157922 433814880 /nfs/dbraw/zinc/81/48/80/433814880.db2.gz NGPMWCZJATVKMU-ZDUSSCGKSA-N 0 0 313.357 3.233 10 30 DGEERN C=CCC1(C(=O)NCc2cc(OC)c(O)c(OC)c2)CCCC1 ZINC000449830363 433828004 /nfs/dbraw/zinc/82/80/04/433828004.db2.gz XHUIUBXSSPNQPW-UHFFFAOYSA-N 0 0 319.401 3.162 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCCC1 ZINC000449852290 433837855 /nfs/dbraw/zinc/83/78/55/433837855.db2.gz SNCBEMXOONJLAO-MRXNPFEDSA-N 0 0 312.413 3.045 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000377304742 433852699 /nfs/dbraw/zinc/85/26/99/433852699.db2.gz NRWPIMGGANOFRF-UHFFFAOYSA-N 0 0 315.363 3.334 10 30 DGEERN CC#CCNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000434365014 433861216 /nfs/dbraw/zinc/86/12/16/433861216.db2.gz YYMNAZUCXNDKJD-INIZCTEOSA-N 0 0 322.811 3.146 10 30 DGEERN C=CCn1c(S[C@H](CC(C)C)C(=O)OC)nnc1C1CC1 ZINC000285197444 433923122 /nfs/dbraw/zinc/92/31/22/433923122.db2.gz VVTRUZHWMBMLRL-GFCCVEGCSA-N 0 0 309.435 3.021 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285530372 433982976 /nfs/dbraw/zinc/98/29/76/433982976.db2.gz AZWSIMWQIXLFIY-UHFFFAOYSA-N 0 0 314.345 3.422 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000450125538 433983930 /nfs/dbraw/zinc/98/39/30/433983930.db2.gz FPVIGHGYAZCAJW-ZDUSSCGKSA-N 0 0 313.323 3.138 10 30 DGEERN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(C#N)n2C)c1 ZINC000450128817 433986799 /nfs/dbraw/zinc/98/67/99/433986799.db2.gz QRFIYPWCQQCLHG-QGZVFWFLSA-N 0 0 307.397 3.491 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000285656941 434028118 /nfs/dbraw/zinc/02/81/18/434028118.db2.gz FCTCEHJSPGHVDE-KRWDZBQOSA-N 0 0 323.392 3.068 10 30 DGEERN C[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000450273263 434070821 /nfs/dbraw/zinc/07/08/21/434070821.db2.gz BCIMHOMCJTXYQG-SUMWQHHRSA-N 0 0 323.352 3.433 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC(C2CCOCC2)CC1)OCC ZINC000363443641 434054884 /nfs/dbraw/zinc/05/48/84/434054884.db2.gz XVFDBIMUWDSQGQ-KRWDZBQOSA-N 0 0 309.450 3.023 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416364285 434114211 /nfs/dbraw/zinc/11/42/11/434114211.db2.gz VMRNEYHUPKYFNU-GOEBONIOSA-N 0 0 302.418 3.362 10 30 DGEERN C=CC(C)(C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000294566413 434118971 /nfs/dbraw/zinc/11/89/71/434118971.db2.gz UCNLYDNBNLTFSX-UHFFFAOYSA-N 0 0 300.171 3.417 10 30 DGEERN C=CCOCCCC(=O)Nc1ncc(-c2cccnc2)s1 ZINC000285963049 434119692 /nfs/dbraw/zinc/11/96/92/434119692.db2.gz LTZLSJVUWMIYRH-UHFFFAOYSA-N 0 0 303.387 3.126 10 30 DGEERN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)ccn1 ZINC000285996260 434133392 /nfs/dbraw/zinc/13/33/92/434133392.db2.gz CZYZYRXWMTZCON-IPMKNSEASA-N 0 0 317.392 3.362 10 30 DGEERN C=CCN(C(=O)Cc1sccc1Br)C1CC1 ZINC000295041520 434164310 /nfs/dbraw/zinc/16/43/10/434164310.db2.gz XCIFQESZHZGPMB-UHFFFAOYSA-N 0 0 300.221 3.230 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)CC(F)(F)F)cc1 ZINC000457490011 434201625 /nfs/dbraw/zinc/20/16/25/434201625.db2.gz YSYMGZOKEZLGAO-JTQLQIEISA-N 0 0 314.307 3.129 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457490948 434201716 /nfs/dbraw/zinc/20/17/16/434201716.db2.gz NNTPDQAXQQEYJM-UHFFFAOYSA-N 0 0 314.360 3.055 10 30 DGEERN C#CCCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000364031612 434214555 /nfs/dbraw/zinc/21/45/55/434214555.db2.gz GWEHJDZHLJPRSI-MRXNPFEDSA-N 0 0 313.445 3.023 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC(c2ccccn2)CC1 ZINC000364640542 434275978 /nfs/dbraw/zinc/27/59/78/434275978.db2.gz XCAHSYPMBFQORR-GOSISDBHSA-N 0 0 302.418 3.016 10 30 DGEERN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC000457607483 434263829 /nfs/dbraw/zinc/26/38/29/434263829.db2.gz SROYAAOQNZLEMN-BRWVUGGUSA-N 0 0 321.392 3.001 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C/C=C\c1cccc(F)c1 ZINC000437471733 434267608 /nfs/dbraw/zinc/26/76/08/434267608.db2.gz WXTWUXZNROAHBJ-HRHLHYAFSA-N 0 0 303.377 3.326 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000437478934 434268734 /nfs/dbraw/zinc/26/87/34/434268734.db2.gz ITBFCQHHJUTSEX-MLGOLLRUSA-N 0 0 311.784 3.119 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC000437493867 434272254 /nfs/dbraw/zinc/27/22/54/434272254.db2.gz GBASLBXJSBENTO-XHDPSFHLSA-N 0 0 311.784 3.499 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[nH]c2cc(F)ccc21 ZINC000437498498 434272601 /nfs/dbraw/zinc/27/26/01/434272601.db2.gz NZASDGOHHRPOIY-BZNIZROVSA-N 0 0 302.349 3.018 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000450513150 434238223 /nfs/dbraw/zinc/23/82/23/434238223.db2.gz VNPWUDYVVFPXLS-UHFFFAOYSA-N 0 0 321.424 3.393 10 30 DGEERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@]2(CCOC2)C1 ZINC000328594376 434287634 /nfs/dbraw/zinc/28/76/34/434287634.db2.gz GLYVFGGURWBUCQ-ZDUSSCGKSA-N 0 0 316.188 3.046 10 30 DGEERN CC#CCNC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C ZINC000328606267 434288266 /nfs/dbraw/zinc/28/82/66/434288266.db2.gz QWLHDDQIAXVIJX-YJBOKZPZSA-N 0 0 323.396 3.238 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CC=C(c2cccc(OC)c2)CC1 ZINC000365238043 434291976 /nfs/dbraw/zinc/29/19/76/434291976.db2.gz NBFTUTVRXUFICV-CQSZACIVSA-N 0 0 300.402 3.459 10 30 DGEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CC[C@H]1CCCCO1 ZINC000328616636 434293834 /nfs/dbraw/zinc/29/38/34/434293834.db2.gz BWTQWYGOLPNFBM-YCPHGPKFSA-N 0 0 321.421 3.039 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C)[C@H]2C[C@@H](OC)C2)c1 ZINC000286960103 434298774 /nfs/dbraw/zinc/29/87/74/434298774.db2.gz KBZZKRJBTGOYII-FZNQNYSPSA-N 0 0 304.390 3.283 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H](C)C1(C)CC1)CCC2 ZINC000328719702 434301080 /nfs/dbraw/zinc/30/10/80/434301080.db2.gz QJVJNNXYNIUDOD-KBPBESRZSA-N 0 0 304.438 3.103 10 30 DGEERN C#Cc1ccc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000295307980 434302353 /nfs/dbraw/zinc/30/23/53/434302353.db2.gz BOOHDXMCFAEJOZ-GOSISDBHSA-N 0 0 305.377 3.110 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccn(C(C)C)n1 ZINC000287167976 434308519 /nfs/dbraw/zinc/30/85/19/434308519.db2.gz MVDWTHMETQFVGV-MRXNPFEDSA-N 0 0 310.401 3.220 10 30 DGEERN Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)s1 ZINC000328848485 434317319 /nfs/dbraw/zinc/31/73/19/434317319.db2.gz SXMAVJODUVLSDY-COLVAYQJSA-N 0 0 308.447 3.059 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000457728044 434318333 /nfs/dbraw/zinc/31/83/33/434318333.db2.gz HBZVMVOLTSLZTA-NXEZZACHSA-N 0 0 302.827 3.089 10 30 DGEERN C[C@H](CC(=O)N[C@@H]1CCO[C@@H]1C1CC1)NC(=O)C1CCCC1 ZINC000328876591 434322429 /nfs/dbraw/zinc/32/24/29/434322429.db2.gz KFBRZPAUAOGCJN-DJSGYFEHSA-N 0 0 308.422 3.436 10 30 DGEERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000328903023 434324855 /nfs/dbraw/zinc/32/48/55/434324855.db2.gz HIPDFEKGIBAOBB-XHSDSOJGSA-N 0 0 324.428 3.306 10 30 DGEERN C=CC[C@H]1N(C(=O)c2cc3c([nH]2)CCOC3)CCCC1(C)C ZINC000457761086 434331409 /nfs/dbraw/zinc/33/14/09/434331409.db2.gz LTRSFEDVKUQUIW-MRXNPFEDSA-N 0 0 302.418 3.294 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CC1CCCCC1 ZINC000328935096 434333068 /nfs/dbraw/zinc/33/30/68/434333068.db2.gz JCLOUEMSKNNEBC-WMLDXEAASA-N 0 0 305.422 3.425 10 30 DGEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CC=CCC1 ZINC000329129354 434363058 /nfs/dbraw/zinc/36/30/58/434363058.db2.gz VXBKSKAXLVKAFN-MJBXVCDLSA-N 0 0 317.389 3.480 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457880059 434386101 /nfs/dbraw/zinc/38/61/01/434386101.db2.gz QIGWQSKVQUJLFC-GFCCVEGCSA-N 0 0 311.809 3.184 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Sc1ccccn1 ZINC000287533785 434386064 /nfs/dbraw/zinc/38/60/64/434386064.db2.gz VRASMMGAYZGKIC-NVXWUHKLSA-N 0 0 324.449 3.313 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 ZINC000450696292 434348058 /nfs/dbraw/zinc/34/80/58/434348058.db2.gz KWSMUIZGWDYJOD-SECBINFHSA-N 0 0 320.780 3.372 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCOC(C)C ZINC000287390965 434350048 /nfs/dbraw/zinc/35/00/48/434350048.db2.gz NLWVQEKXWFQFFI-GOSISDBHSA-N 0 0 316.445 3.078 10 30 DGEERN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccc(C#N)cc1F ZINC000358440519 434393203 /nfs/dbraw/zinc/39/32/03/434393203.db2.gz ZLGSZCQHQGJLHK-SNVBAGLBSA-N 0 0 311.316 3.315 10 30 DGEERN CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000358559904 434396321 /nfs/dbraw/zinc/39/63/21/434396321.db2.gz DWBNAIRLLLDXQL-QWRGUYRKSA-N 0 0 301.369 3.351 10 30 DGEERN C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572480 434400288 /nfs/dbraw/zinc/40/02/88/434400288.db2.gz QBLSEBYPLDJJOQ-PIGZYNQJSA-N 0 0 302.324 3.221 10 30 DGEERN C#Cc1ccc(CNC(=O)c2cccc([C@H]3CCOC3)c2)cc1 ZINC000295559458 434414220 /nfs/dbraw/zinc/41/42/20/434414220.db2.gz UEJGTXBIILXWIP-IBGZPJMESA-N 0 0 305.377 3.102 10 30 DGEERN Cc1oc(C#N)cc1C(=O)NC1(CCOCc2ccccc2)CC1 ZINC000359351797 434417593 /nfs/dbraw/zinc/41/75/93/434417593.db2.gz NDPLWADBBJJMCK-UHFFFAOYSA-N 0 0 324.380 3.329 10 30 DGEERN Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000329471211 434417991 /nfs/dbraw/zinc/41/79/91/434417991.db2.gz YVHMGPOWLUJCGM-ZYHUDNBSSA-N 0 0 300.362 3.270 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccnn1C(C)(C)C ZINC000287644733 434420465 /nfs/dbraw/zinc/42/04/65/434420465.db2.gz QWIZQCPTTFOAAW-MRXNPFEDSA-N 0 0 324.428 3.394 10 30 DGEERN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2C[C@]23CCOC3)c1 ZINC000329541553 434430198 /nfs/dbraw/zinc/43/01/98/434430198.db2.gz DLZAKCKGNLDKCZ-YLVFBTJISA-N 0 0 305.374 3.148 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000417603775 434458761 /nfs/dbraw/zinc/45/87/61/434458761.db2.gz AIRKNMMOFQUAKF-LLVKDONJSA-N 0 0 319.735 3.450 10 30 DGEERN O=C(C[C@H]1CCCc2ccccc21)N[C@H]1CCCS(=O)(=O)C1 ZINC000329712825 434467140 /nfs/dbraw/zinc/46/71/40/434467140.db2.gz QOXANBYAUZWJIT-CABCVRRESA-N 0 0 321.442 3.030 10 30 DGEERN O=C(N[C@@H]1CCCCC12CCCC2)[C@H]1CCc2n[nH]nc2C1 ZINC000329736634 434469780 /nfs/dbraw/zinc/46/97/80/434469780.db2.gz LOLBXEYXRAYJPR-SWLSCSKDSA-N 0 0 302.422 3.369 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000417623382 434472697 /nfs/dbraw/zinc/47/26/97/434472697.db2.gz IURQFZLUWRGBFC-JTQLQIEISA-N 0 0 305.271 3.354 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000417628002 434477099 /nfs/dbraw/zinc/47/70/99/434477099.db2.gz QEDQXZORKZKVGE-NSHDSACASA-N 0 0 305.271 3.354 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000417631725 434481181 /nfs/dbraw/zinc/48/11/81/434481181.db2.gz WEQAIYWKPTXAIO-LBPRGKRZSA-N 0 0 304.777 3.397 10 30 DGEERN COc1cccc(N2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)c1 ZINC000329811261 434484561 /nfs/dbraw/zinc/48/45/61/434484561.db2.gz CRLNGZBSZBDROL-CABCVRRESA-N 0 0 318.417 3.047 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329865301 434495434 /nfs/dbraw/zinc/49/54/34/434495434.db2.gz UDAHNCFYCDELGL-DNNBLBMLSA-N 0 0 318.465 3.231 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000438501722 434496385 /nfs/dbraw/zinc/49/63/85/434496385.db2.gz ALIHAFYUVDLOGO-LJQANCHMSA-N 0 0 317.429 3.313 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2cccc(Cl)c2)CC(C)C1 ZINC000296070048 434496981 /nfs/dbraw/zinc/49/69/81/434496981.db2.gz RVMMPVWWGBGHGW-YAJUMTOWSA-N 0 0 307.821 3.061 10 30 DGEERN C=CCC1(CNC(=O)NCc2cccc(OC)n2)CCCC1 ZINC000458169990 434510890 /nfs/dbraw/zinc/51/08/90/434510890.db2.gz SXSSUMYPJJCCLG-UHFFFAOYSA-N 0 0 303.406 3.026 10 30 DGEERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000366915338 434532454 /nfs/dbraw/zinc/53/24/54/434532454.db2.gz SVCYQMLANFZDCX-MRXNPFEDSA-N 0 0 309.373 3.051 10 30 DGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NCCCC1CCCC1 ZINC000451025137 434537174 /nfs/dbraw/zinc/53/71/74/434537174.db2.gz PMFMOOAIPRZFGE-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)cc1Br ZINC000408066817 434541111 /nfs/dbraw/zinc/54/11/11/434541111.db2.gz DGQQODVHSHOTBX-BXUZGUMPSA-N 0 0 321.218 3.488 10 30 DGEERN C=CCOCCCC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367398710 434547450 /nfs/dbraw/zinc/54/74/50/434547450.db2.gz AIOIOZYYCFBVPV-IAGOWNOFSA-N 0 0 303.402 3.006 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000367919897 434562019 /nfs/dbraw/zinc/56/20/19/434562019.db2.gz CPGUTUMWWSXNIC-UHFFFAOYSA-N 0 0 302.377 3.028 10 30 DGEERN C[C@@]1(F)CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000408331311 434563731 /nfs/dbraw/zinc/56/37/31/434563731.db2.gz QNVLGFJDCVOYED-GOSISDBHSA-N 0 0 312.392 3.422 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3C[C@@H](O)C(C)(C)C3)c2c1 ZINC000408451861 434576160 /nfs/dbraw/zinc/57/61/60/434576160.db2.gz MZYRQNRCONBZCQ-QGZVFWFLSA-N 0 0 309.413 3.437 10 30 DGEERN C=CCn1c(C)nnc1SCc1cccc(-n2cccn2)c1 ZINC000368604014 434580525 /nfs/dbraw/zinc/58/05/25/434580525.db2.gz PCUJAWXYOGWEEO-UHFFFAOYSA-N 0 0 311.414 3.251 10 30 DGEERN CC(C)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000369220284 434590270 /nfs/dbraw/zinc/59/02/70/434590270.db2.gz RWSAXMDTWLDZST-KRWDZBQOSA-N 0 0 312.417 3.014 10 30 DGEERN N#Cc1cccc(CCNC(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000439522991 434620671 /nfs/dbraw/zinc/62/06/71/434620671.db2.gz MCALCFKXVWZROA-UHFFFAOYSA-N 0 0 321.380 3.247 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC000424118971 434628063 /nfs/dbraw/zinc/62/80/63/434628063.db2.gz CJEGQGXDFPBRRM-HUUCEWRRSA-N 0 0 311.433 3.075 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000424117347 434628601 /nfs/dbraw/zinc/62/86/01/434628601.db2.gz BJPUMNKTLHJDIY-RDBSUJKOSA-N 0 0 322.478 3.036 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@H](C2CC2)C1 ZINC000424130253 434630722 /nfs/dbraw/zinc/63/07/22/434630722.db2.gz USPCQJPQECQBIJ-UONOGXRCSA-N 0 0 304.463 3.269 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000410066910 434632931 /nfs/dbraw/zinc/63/29/31/434632931.db2.gz HFPZUYKCMAXQGQ-WOJBJXKFSA-N 0 0 323.436 3.456 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000370071566 434607547 /nfs/dbraw/zinc/60/75/47/434607547.db2.gz HRFBEKCIHZGQHZ-KDOFPFPSSA-N 0 0 300.402 3.182 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C2CC2)C1 ZINC000371240430 434660719 /nfs/dbraw/zinc/66/07/19/434660719.db2.gz UPTBCEPUUWIIFQ-FUHWJXTLSA-N 0 0 312.413 3.220 10 30 DGEERN C=CCN(C)C(=O)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000410788837 434673817 /nfs/dbraw/zinc/67/38/17/434673817.db2.gz ZQLOYCGOZQUGGT-OAHLLOKOSA-N 0 0 320.820 3.038 10 30 DGEERN C=CCn1cc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)nn1 ZINC000424297700 434682653 /nfs/dbraw/zinc/68/26/53/434682653.db2.gz RDTQMOUVSAAWOL-QGZVFWFLSA-N 0 0 300.381 3.153 10 30 DGEERN Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(C)(C#N)CC1 ZINC000360771788 434686185 /nfs/dbraw/zinc/68/61/85/434686185.db2.gz YWKWCKZKZRVHGG-UHFFFAOYSA-N 0 0 317.336 3.236 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@@]12C[C@@H]1C[C@H](OC)C[C@@H]1C2 ZINC000424570624 434745991 /nfs/dbraw/zinc/74/59/91/434745991.db2.gz FKXXLSUEMGITOO-CSVIQDERSA-N 0 0 312.413 3.272 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(NC(=O)CC)cc2)CCOCC1 ZINC000424596616 434752858 /nfs/dbraw/zinc/75/28/58/434752858.db2.gz GVFLSIKACNDUSP-UHFFFAOYSA-N 0 0 316.401 3.347 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OC)c(OC)c2)CCOCC1 ZINC000424530246 434732473 /nfs/dbraw/zinc/73/24/73/434732473.db2.gz SXQOCNYXROBONK-UHFFFAOYSA-N 0 0 305.374 3.015 10 30 DGEERN C=CCCCC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000371884171 434766454 /nfs/dbraw/zinc/76/64/54/434766454.db2.gz NGNIHSZKLFDSIU-UHFFFAOYSA-N 0 0 315.339 3.491 10 30 DGEERN C=CCCn1cc(C(=O)Nc2cc(F)ccc2OC(C)C)nn1 ZINC000424649158 434769412 /nfs/dbraw/zinc/76/94/12/434769412.db2.gz SQYOEPJEFOMGKM-UHFFFAOYSA-N 0 0 318.352 3.033 10 30 DGEERN C=C[C@@H](CC(=O)N(C)[C@@H](CC(C)C)C(=O)OC)c1ccccc1 ZINC000452919441 434757059 /nfs/dbraw/zinc/75/70/59/434757059.db2.gz DSLBXCWAPIVIAH-RDJZCZTQSA-N 0 0 317.429 3.392 10 30 DGEERN C=C(C)C(C)(C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000424669281 434773356 /nfs/dbraw/zinc/77/33/56/434773356.db2.gz RZBFXUJRCDTETK-UHFFFAOYSA-N 0 0 307.463 3.004 10 30 DGEERN Cn1c(C#N)ccc1-c1nc([C@@H]2CCCc3ccccc32)no1 ZINC000453050476 434784752 /nfs/dbraw/zinc/78/47/52/434784752.db2.gz SIJQCELTHOKQJT-OAHLLOKOSA-N 0 0 304.353 3.415 10 30 DGEERN C=CCC1(C(=O)NCC2(CCOC)CCCC2)CCOCC1 ZINC000424725632 434788267 /nfs/dbraw/zinc/78/82/67/434788267.db2.gz HOIOLCOGOACIQV-UHFFFAOYSA-N 0 0 309.450 3.072 10 30 DGEERN C=CCOc1ccccc1CN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000361115004 434801408 /nfs/dbraw/zinc/80/14/08/434801408.db2.gz VRTUWEORXOEDKS-QFBILLFUSA-N 0 0 317.429 3.021 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)CCOCC1 ZINC000424755000 434796699 /nfs/dbraw/zinc/79/66/99/434796699.db2.gz BVVDWSZXYJPATA-XHSDSOJGSA-N 0 0 323.477 3.315 10 30 DGEERN C=C(C)CCSCCC(=O)NCc1ccc(OC)cc1OC ZINC000419474204 434796798 /nfs/dbraw/zinc/79/67/98/434796798.db2.gz KWWVJBIHRIHHSW-UHFFFAOYSA-N 0 0 323.458 3.410 10 30 DGEERN C=CCC1(C(=O)Nc2cnn([C@H](C)CC)c2C)CCOCC1 ZINC000424803461 434807126 /nfs/dbraw/zinc/80/71/26/434807126.db2.gz MLQVYIQGDFUZQF-CYBMUJFWSA-N 0 0 305.422 3.474 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000424813784 434808541 /nfs/dbraw/zinc/80/85/41/434808541.db2.gz TUJQOFLRCFYQCJ-GFCCVEGCSA-N 0 0 305.340 3.160 10 30 DGEERN C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccncc2C#N)CC1 ZINC000372229956 434815474 /nfs/dbraw/zinc/81/54/74/434815474.db2.gz BVAXTOVQLRHDMX-OAHLLOKOSA-N 0 0 306.413 3.013 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccccc3O[C@H](C)C2)CCOCC1 ZINC000424852857 434816644 /nfs/dbraw/zinc/81/66/44/434816644.db2.gz UKPLBPBWDVODRH-OAHLLOKOSA-N 0 0 315.413 3.169 10 30 DGEERN C=C(C)CCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424863143 434820014 /nfs/dbraw/zinc/82/00/14/434820014.db2.gz JJPLSTIQNRPZDR-UHFFFAOYSA-N 0 0 323.190 3.215 10 30 DGEERN C=CCCCC[C@H](C)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000453177201 434823943 /nfs/dbraw/zinc/82/39/43/434823943.db2.gz FJEFVSUQMKKIJQ-HNNXBMFYSA-N 0 0 318.465 3.489 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCSc1ccc(F)cc1 ZINC000424913450 434828689 /nfs/dbraw/zinc/82/86/89/434828689.db2.gz KJYNSGSKSMPQPS-WFASDCNBSA-N 0 0 309.406 3.015 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000424930210 434829895 /nfs/dbraw/zinc/82/98/95/434829895.db2.gz DGSJIWYPTVPWBR-IECFSIQFSA-N 0 0 323.477 3.171 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CSCC)cc1 ZINC000424935500 434829914 /nfs/dbraw/zinc/82/99/14/434829914.db2.gz XWIPRFAPCJOKHB-HOTGVXAUSA-N 0 0 305.443 3.261 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000424934022 434830104 /nfs/dbraw/zinc/83/01/04/434830104.db2.gz SOOICXMCYIZMGB-HZMBPMFUSA-N 0 0 314.212 3.243 10 30 DGEERN C=CC(C)(C)c1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453242057 434839297 /nfs/dbraw/zinc/83/92/97/434839297.db2.gz VCFBTUWZVUILEM-UHFFFAOYSA-N 0 0 314.345 3.467 10 30 DGEERN C=CCCc1noc(-c2nn(C(C)C)c(=O)c3ccccc32)n1 ZINC000453247681 434840235 /nfs/dbraw/zinc/84/02/35/434840235.db2.gz OHAFWSZCPYYFQX-UHFFFAOYSA-N 0 0 310.357 3.146 10 30 DGEERN COc1cccc(C2(CNc3nc(C)cc(C#N)n3)CCCC2)c1 ZINC000553055654 434876950 /nfs/dbraw/zinc/87/69/50/434876950.db2.gz VBHUXCBRFQMVSC-UHFFFAOYSA-N 0 0 322.412 3.589 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(c2ccncn2)CC1 ZINC000573217532 434882144 /nfs/dbraw/zinc/88/21/44/434882144.db2.gz IQUMANOTWGZJRU-UHFFFAOYSA-N 0 0 302.422 3.112 10 30 DGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)NCCOCC1CCC1 ZINC000573381334 434894776 /nfs/dbraw/zinc/89/47/76/434894776.db2.gz SKWYFNFLHRTCME-UHFFFAOYSA-N 0 0 318.421 3.053 10 30 DGEERN CCOc1c(F)cccc1C(=O)N(C1CC1)C1(C#N)CCC1 ZINC000520920256 434865792 /nfs/dbraw/zinc/86/57/92/434865792.db2.gz MUCJWZSEOWBEQY-UHFFFAOYSA-N 0 0 302.349 3.275 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)CSCC(=O)c1ccccc1 ZINC000521075266 434869649 /nfs/dbraw/zinc/86/96/49/434869649.db2.gz YOSQXFHOSFQHDR-KRWDZBQOSA-N 0 0 318.442 3.047 10 30 DGEERN Cc1cc(C#N)nc(NCCCc2cccc(C(F)(F)F)c2)n1 ZINC000553000731 434874685 /nfs/dbraw/zinc/87/46/85/434874685.db2.gz XEMAQZHCXMNLQW-UHFFFAOYSA-N 0 0 320.318 3.720 10 30 DGEERN C=CCOc1ccccc1CNc1nc2cc(F)ccc2n1C ZINC000463509434 434964101 /nfs/dbraw/zinc/96/41/01/434964101.db2.gz NBSIJMVJGODWJA-UHFFFAOYSA-N 0 0 311.360 3.889 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000527596419 435013392 /nfs/dbraw/zinc/01/33/92/435013392.db2.gz BNHKDFHKYOPSLH-CQSZACIVSA-N 0 0 302.422 3.022 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC(F)(F)C[C@H]1C ZINC000528300632 435022233 /nfs/dbraw/zinc/02/22/33/435022233.db2.gz RTPCWKHLAHDXSZ-LLVKDONJSA-N 0 0 308.332 3.348 10 30 DGEERN COC(=O)Cc1cc(C#N)c(C(F)F)c(OC(F)(F)F)c1 ZINC000575344075 435030431 /nfs/dbraw/zinc/03/04/31/435030431.db2.gz ODUUMBHNJNWGGB-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN COC(=O)Cc1cc(C(F)F)cc(C#N)c1OC(F)(F)F ZINC000575344232 435030570 /nfs/dbraw/zinc/03/05/70/435030570.db2.gz WZTLTBZWGADUNU-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528984528 435031325 /nfs/dbraw/zinc/03/13/25/435031325.db2.gz GDUAQFNZNJIOKP-JSGCOSHPSA-N 0 0 312.207 3.010 10 30 DGEERN CCc1cc(C#N)c(SC(F)(F)F)c(CC(=O)OC)c1 ZINC000575389583 435034352 /nfs/dbraw/zinc/03/43/52/435034352.db2.gz KRXBZRZXISDXPB-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(OC(F)F)cc1C(F)F ZINC000575385302 435034375 /nfs/dbraw/zinc/03/43/75/435034375.db2.gz JSYFHSIFBCFCDA-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCc1c(CC(=O)OC)ccc(C#N)c1SC(F)(F)F ZINC000575389237 435034477 /nfs/dbraw/zinc/03/44/77/435034477.db2.gz CRAOFBKIJXIADV-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1OC(F)F ZINC000575386762 435034560 /nfs/dbraw/zinc/03/45/60/435034560.db2.gz FQZRFTORDRONHK-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN N#Cc1cccc(Cc2nc([C@H]3COc4ccccc4O3)no2)c1 ZINC000556002278 434992613 /nfs/dbraw/zinc/99/26/13/434992613.db2.gz XGMZHXXPEIAAFE-MRXNPFEDSA-N 0 0 319.320 3.045 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000464752071 434998231 /nfs/dbraw/zinc/99/82/31/434998231.db2.gz NZRUNLGAMOWKOR-SNVBAGLBSA-N 0 0 309.207 3.091 10 30 DGEERN COC(=O)c1cc(C#N)c(Br)c(OC(F)(F)F)c1 ZINC000575383409 435033224 /nfs/dbraw/zinc/03/32/24/435033224.db2.gz FOLBITVHZXZSSO-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)Cc1cc(Cl)cc(OC(F)(F)F)c1C#N ZINC000575383047 435033321 /nfs/dbraw/zinc/03/33/21/435033321.db2.gz CKTIYWSNRRTFIG-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](Cc2ccccc2)OC)no1 ZINC000556449918 435008837 /nfs/dbraw/zinc/00/88/37/435008837.db2.gz RKEVZFDQOBKVEM-BZUAXINKSA-N 0 0 314.385 3.448 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccccc2OC)n1CC ZINC000577079054 435059696 /nfs/dbraw/zinc/05/96/96/435059696.db2.gz AODZZWHRFYBRQC-UHFFFAOYSA-N 0 0 300.406 3.376 10 30 DGEERN COCCN(C(=O)Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000530909401 435059905 /nfs/dbraw/zinc/05/99/05/435059905.db2.gz CLPDHTZAMOSAFD-INIZCTEOSA-N 0 0 322.408 3.337 10 30 DGEERN C=CCCCCCN(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000466101350 435061474 /nfs/dbraw/zinc/06/14/74/435061474.db2.gz HXWUYJZHMCIEQM-UHFFFAOYSA-N 0 0 315.417 3.325 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@@H]2CC23CCCC3)cc1 ZINC000557996365 435074158 /nfs/dbraw/zinc/07/41/58/435074158.db2.gz QQDDNBFSLIIMDH-MRXNPFEDSA-N 0 0 300.402 3.383 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)F)c1C(F)F ZINC000575385377 435034707 /nfs/dbraw/zinc/03/47/07/435034707.db2.gz NNUDVNFKADJUCQ-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)c1ccc(OC(F)F)c(C#N)c1C(F)(F)F ZINC000575386691 435034743 /nfs/dbraw/zinc/03/47/43/435034743.db2.gz APLMWZXTLJNDDC-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCOC(=O)Cc1ccc(OC(F)F)c(C#N)c1C(F)(F)F ZINC000575386773 435034796 /nfs/dbraw/zinc/03/47/96/435034796.db2.gz GGGIBOFGCRTZBJ-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCc1c(C#N)cc(CC(=O)OC)cc1SC(F)(F)F ZINC000575389906 435034988 /nfs/dbraw/zinc/03/49/88/435034988.db2.gz UQOGINYRQRZLKH-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)Cc1c(SC(F)(F)F)ccc(C#N)c1OC ZINC000575394614 435035111 /nfs/dbraw/zinc/03/51/11/435035111.db2.gz NIRVZPMTFIISKV-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)Cc1c(SC(F)(F)F)ccc(F)c1C#N ZINC000575390712 435035274 /nfs/dbraw/zinc/03/52/74/435035274.db2.gz STNXFDKQZKXTPP-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1cc(F)cc(SC(F)(F)F)c1C#N ZINC000575390655 435035551 /nfs/dbraw/zinc/03/55/51/435035551.db2.gz LUASKJNGCRCKQA-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(C#N)c1C=O ZINC000575390887 435035584 /nfs/dbraw/zinc/03/55/84/435035584.db2.gz AJEQKADVTJYKRH-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCc1c(C#N)ccc(SC(F)(F)F)c1CC(=O)OC ZINC000575389916 435035690 /nfs/dbraw/zinc/03/56/90/435035690.db2.gz VFPCBGVQJZBOHO-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)c1cc(C#N)cc(OC)c1SC(F)(F)F ZINC000575394215 435035698 /nfs/dbraw/zinc/03/56/98/435035698.db2.gz HXSCRCCXFWNTHN-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1ccc(C=O)c(SC(F)(F)F)c1C#N ZINC000575391818 435035789 /nfs/dbraw/zinc/03/57/89/435035789.db2.gz WRQMKKRDXJIJLU-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1c(OC)cc(C#N)cc1SC(F)(F)F ZINC000575394116 435035818 /nfs/dbraw/zinc/03/58/18/435035818.db2.gz CEWJEYPFJNZNRX-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc2ncccc2c1Cl ZINC000529503464 435037004 /nfs/dbraw/zinc/03/70/04/435037004.db2.gz VNILKTHSGHVEAF-ONGXEEELSA-N 0 0 322.817 3.271 10 30 DGEERN N#CCc1cc(I)c(F)c(C(F)F)c1 ZINC000575665892 435040610 /nfs/dbraw/zinc/04/06/10/435040610.db2.gz ANUVQDHBYYOIDU-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN C=C[C@](C)(O)C(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000529939141 435041650 /nfs/dbraw/zinc/04/16/50/435041650.db2.gz SPINRKISJYDBRK-KRWDZBQOSA-N 0 0 305.805 3.201 10 30 DGEERN N#CCc1cc(OC(F)(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575667509 435041817 /nfs/dbraw/zinc/04/18/17/435041817.db2.gz NXGWCPKZSWTJHY-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN C=CC(C)(C)CCN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000530196345 435043001 /nfs/dbraw/zinc/04/30/01/435043001.db2.gz NHCQTVZGSRJIRU-HNNXBMFYSA-N 0 0 300.402 3.094 10 30 DGEERN CCOc1cc(I)cc(CC#N)c1CC ZINC000575694169 435045306 /nfs/dbraw/zinc/04/53/06/435045306.db2.gz CITPNFUQVILACR-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN COc1ccc(Br)c(Br)c1CC#N ZINC000575694876 435045310 /nfs/dbraw/zinc/04/53/10/435045310.db2.gz PTZSWQXVVDNRCD-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN N#CCCCOc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530669049 435046620 /nfs/dbraw/zinc/04/66/20/435046620.db2.gz CEPQTLMETFKRHY-UHFFFAOYSA-N 0 0 319.364 3.422 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000576714838 435057078 /nfs/dbraw/zinc/05/70/78/435057078.db2.gz HKKCLRYQBBSPNK-QGZVFWFLSA-N 0 0 302.418 3.117 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000576644557 435057518 /nfs/dbraw/zinc/05/75/18/435057518.db2.gz HVCUWHSMVGMQIT-UHFFFAOYSA-N 0 0 302.418 3.255 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000558641549 435103338 /nfs/dbraw/zinc/10/33/38/435103338.db2.gz NYUKOYSTLRHFDE-OAHLLOKOSA-N 0 0 310.401 3.138 10 30 DGEERN Cc1cc(C#N)nc(Nc2ccc(OCC(F)(F)F)cc2)n1 ZINC000561103829 435199693 /nfs/dbraw/zinc/19/96/93/435199693.db2.gz NYCXOMSABPLLHZ-UHFFFAOYSA-N 0 0 308.263 3.341 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000561469194 435218523 /nfs/dbraw/zinc/21/85/23/435218523.db2.gz ZMQRQNPOINGWSL-WKILWMFISA-N 0 0 308.356 3.302 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000476281954 435228012 /nfs/dbraw/zinc/22/80/12/435228012.db2.gz ZIAZRWHMXMGPAN-KRWDZBQOSA-N 0 0 306.381 3.428 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000580391126 435228492 /nfs/dbraw/zinc/22/84/92/435228492.db2.gz KTNOSUSYKHUHGA-ZFWWWQNUSA-N 0 0 302.422 3.735 10 30 DGEERN N#C[C@@]12CN(Cc3ccccc3)C[C@H]1c1c(F)cccc1OC2 ZINC000498050574 435302427 /nfs/dbraw/zinc/30/24/27/435302427.db2.gz NUOXHMCWCKVXCG-KXBFYZLASA-N 0 0 308.356 3.327 10 30 DGEERN COc1ccc(C[C@H](C)C(=O)N[C@](C)(C#N)CC(C)C)cc1 ZINC000533999543 435263804 /nfs/dbraw/zinc/26/38/04/435263804.db2.gz PKKHVTHNNCQHAP-KSSFIOAISA-N 0 0 302.418 3.318 10 30 DGEERN C=CCCC(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F ZINC000479135322 435320555 /nfs/dbraw/zinc/32/05/55/435320555.db2.gz UEAUERRHYPXTNL-ZDUSSCGKSA-N 0 0 315.291 3.159 10 30 DGEERN C=CCCCCCNC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000568186786 435404605 /nfs/dbraw/zinc/40/46/05/435404605.db2.gz LOZOCGNGOGASTJ-UHFFFAOYSA-N 0 0 300.406 3.417 10 30 DGEERN CCc1nnc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c(C#N)c1CC ZINC000480553935 435384528 /nfs/dbraw/zinc/38/45/28/435384528.db2.gz NEXQRIIATDULKP-BXKDBHETSA-N 0 0 312.339 3.250 10 30 DGEERN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CC1 ZINC000568331338 435423764 /nfs/dbraw/zinc/42/37/64/435423764.db2.gz VTOUBWVNBLCMEC-UHFFFAOYSA-N 0 0 302.809 3.307 10 30 DGEERN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[C@@H](C(C)C)C1 ZINC000568393026 435430256 /nfs/dbraw/zinc/43/02/56/435430256.db2.gz SJEAKSNEPKKCNA-GFCCVEGCSA-N 0 0 316.371 3.441 10 30 DGEERN CC#CCCNC(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000568506270 435441607 /nfs/dbraw/zinc/44/16/07/435441607.db2.gz VMNBSGQOAZMVNP-HUUCEWRRSA-N 0 0 324.428 3.302 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000568945004 435484001 /nfs/dbraw/zinc/48/40/01/435484001.db2.gz DKMFIGZFGHIUNO-AWEZNQCLSA-N 0 0 318.421 3.115 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000569939051 435572822 /nfs/dbraw/zinc/57/28/22/435572822.db2.gz HOZFWYNAFYQRJW-GFCCVEGCSA-N 0 0 308.426 3.474 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1c(C)cc(C)cc1C ZINC000485767123 435577981 /nfs/dbraw/zinc/57/79/81/435577981.db2.gz OHRPHDBUKZWVKQ-QZTJIDSGSA-N 0 0 301.430 3.252 10 30 DGEERN CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486710660 435611501 /nfs/dbraw/zinc/61/15/01/435611501.db2.gz URPQODPFNDDMJN-LRDDRELGSA-N 0 0 324.421 3.287 10 30 DGEERN Cc1nc2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2nc1C ZINC000540957922 435631097 /nfs/dbraw/zinc/63/10/97/435631097.db2.gz UTLKWWHWVBKEDL-UHFFFAOYSA-N 0 0 308.385 3.013 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc2cc(Cl)ccc2s1 ZINC000570624915 435635095 /nfs/dbraw/zinc/63/50/95/435635095.db2.gz VJAHBBSTSAMVQR-CABZTGNLSA-N 0 0 322.817 3.271 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](C2CCCCC2)C1 ZINC000541718382 435643876 /nfs/dbraw/zinc/64/38/76/435643876.db2.gz JDAVWYHLMLXAPN-FUHWJXTLSA-N 0 0 322.493 3.081 10 30 DGEERN N#Cc1cnccc1N[C@H]1CCc2c1cccc2Br ZINC000548152589 435673858 /nfs/dbraw/zinc/67/38/58/435673858.db2.gz ZGESGWFBKFUFDQ-HNNXBMFYSA-N 0 0 314.186 3.237 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2ccccc2CC1 ZINC000571191086 435686782 /nfs/dbraw/zinc/68/67/82/435686782.db2.gz NWACRUMHJHWBKS-UHFFFAOYSA-N 0 0 320.396 3.329 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1cc(OCc2ccccc2)ncn1 ZINC000571410408 435705416 /nfs/dbraw/zinc/70/54/16/435705416.db2.gz JODDTLNITOUSHZ-CVEARBPZSA-N 0 0 311.385 3.201 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000572539696 435835633 /nfs/dbraw/zinc/83/56/33/435835633.db2.gz JAHZBOFLMJMYMS-UHFFFAOYSA-N 0 0 318.417 3.113 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000572854117 435877104 /nfs/dbraw/zinc/87/71/04/435877104.db2.gz XNYIOPLMMTYRPU-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN CCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)s1 ZINC000135364372 312691914 /nfs/dbraw/zinc/69/19/14/312691914.db2.gz ZRXCCOVEQOGDCW-UHFFFAOYSA-N 0 0 310.375 3.122 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N(C)c2cccc(C#N)c2)s1 ZINC000176190623 312773788 /nfs/dbraw/zinc/77/37/88/312773788.db2.gz BTKAZTIUAMPFAZ-LLVKDONJSA-N 0 0 315.398 3.307 10 30 DGEERN CCOc1cccc([C@H]2C[C@H]2NC(=O)Cc2cccc(C#N)c2)c1 ZINC000537228976 313803308 /nfs/dbraw/zinc/80/33/08/313803308.db2.gz CWIGEHQMUBEHPO-RTBURBONSA-N 0 0 320.392 3.172 10 30 DGEERN C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000541905045 314047775 /nfs/dbraw/zinc/04/77/75/314047775.db2.gz WUMSJNIAGJTQHG-LBPRGKRZSA-N 0 0 312.344 3.319 10 30 DGEERN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Cc2cccc(C#N)c2)C1 ZINC000542583229 314086763 /nfs/dbraw/zinc/08/67/63/314086763.db2.gz YUZOMPTYPFZUAR-KSSFIOAISA-N 0 0 305.381 3.105 10 30 DGEERN CCn1nc(C)c(CN[C@H](C)c2ccc(C#N)cc2F)c1C ZINC000542834632 314102325 /nfs/dbraw/zinc/10/23/25/314102325.db2.gz SYTCTCVKXHTCNK-LLVKDONJSA-N 0 0 300.381 3.381 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000545202951 314232842 /nfs/dbraw/zinc/23/28/42/314232842.db2.gz WEPVIEYVIWRHNL-RBUKOAKNSA-N 0 0 320.392 3.137 10 30 DGEERN N#Cc1cccc(CC(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000545217413 314234627 /nfs/dbraw/zinc/23/46/27/314234627.db2.gz SYEPCVLLJCLFKM-HNNXBMFYSA-N 0 0 316.360 3.208 10 30 DGEERN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(C#N)cc1C ZINC000546013223 314285006 /nfs/dbraw/zinc/28/50/06/314285006.db2.gz YNFOVTGFMYSFSE-UHFFFAOYSA-N 0 0 319.364 3.028 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000546708589 314323675 /nfs/dbraw/zinc/32/36/75/314323675.db2.gz DOGDKGQWXILTQP-LLVKDONJSA-N 0 0 309.316 3.266 10 30 DGEERN N#Cc1cnccc1N1CCc2ccc(Br)cc21 ZINC000547825867 314399401 /nfs/dbraw/zinc/39/94/01/314399401.db2.gz PJWJADNCWVDHPD-UHFFFAOYSA-N 0 0 300.159 3.410 10 30 DGEERN CC(C)C[C@@H](C)Oc1cc(CNc2ccncc2C#N)ccn1 ZINC000547826212 314399573 /nfs/dbraw/zinc/39/95/73/314399573.db2.gz BEEKAOBEIPEEGZ-CQSZACIVSA-N 0 0 310.401 3.196 10 30 DGEERN CCCCOc1ccc(CNc2ccncc2C#N)cc1OC ZINC000548153901 314426775 /nfs/dbraw/zinc/42/67/75/314426775.db2.gz FOMVOIAKKJFYTL-UHFFFAOYSA-N 0 0 311.385 3.175 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)n1 ZINC000553164548 314634458 /nfs/dbraw/zinc/63/44/58/314634458.db2.gz VKUMLXWRQWHFFK-SJORKVTESA-N 0 0 322.412 3.453 10 30 DGEERN N#Cc1ccsc1C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000558786957 314863662 /nfs/dbraw/zinc/86/36/62/314863662.db2.gz HDJQSCVCCANEJT-ZDUSSCGKSA-N 0 0 304.415 3.231 10 30 DGEERN COc1ccc(C[C@H]2CCCN(c3ccncc3C#N)C2)cc1 ZINC000568462055 315512584 /nfs/dbraw/zinc/51/25/84/315512584.db2.gz SCEFVJVDGLUNHO-MRXNPFEDSA-N 0 0 307.397 3.421 10 30 DGEERN Cc1ccc(C[C@H]2CCCN(c3nc(C)cc(C#N)n3)C2)cc1 ZINC000577640407 316256393 /nfs/dbraw/zinc/25/63/93/316256393.db2.gz DEUFWBDWZSXGRP-QGZVFWFLSA-N 0 0 306.413 3.424 10 30 DGEERN CCC(C)(CC)NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184619010 323370169 /nfs/dbraw/zinc/37/01/69/323370169.db2.gz FDJORBVEDDLRMX-UHFFFAOYSA-N 0 0 319.405 3.284 10 30 DGEERN Cc1cc2cc(CNC(=O)Cc3cccc(C#N)c3)ccc2[nH]1 ZINC000582802284 324278224 /nfs/dbraw/zinc/27/82/24/324278224.db2.gz SYFNRGOJEOZWAY-UHFFFAOYSA-N 0 0 303.365 3.207 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000570735903 332808437 /nfs/dbraw/zinc/80/84/37/332808437.db2.gz AKYXVLUXTBURGZ-UHFFFAOYSA-N 0 0 303.406 3.304 10 30 DGEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000170730131 332872386 /nfs/dbraw/zinc/87/23/86/332872386.db2.gz QTZIQSRPBBKEEK-ZDUSSCGKSA-N 0 0 323.437 3.022 10 30 DGEERN C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000533504008 331551888 /nfs/dbraw/zinc/55/18/88/331551888.db2.gz NIIRCRKXFKNBLA-HXUWFJFHSA-N 0 0 317.392 3.132 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)OCC(C)(C)C#N)C1 ZINC000180134163 331562780 /nfs/dbraw/zinc/56/27/80/331562780.db2.gz NTCQDIGHHXYJJU-STQMWFEESA-N 0 0 324.421 3.163 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000297979736 331618792 /nfs/dbraw/zinc/61/87/92/331618792.db2.gz UOJAKTHTVDJPGX-ZDUSSCGKSA-N 0 0 322.836 3.284 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000517558673 331707820 /nfs/dbraw/zinc/70/78/20/331707820.db2.gz FLEJXUDOLSRNJA-JHNDHUHGSA-N 0 0 302.418 3.069 10 30 DGEERN C=CCN(C)c1nnc(CCOc2ccccc2)n1CC(=C)C ZINC000558982669 331963667 /nfs/dbraw/zinc/96/36/67/331963667.db2.gz ASFMZYQQJPATEY-UHFFFAOYSA-N 0 0 312.417 3.098 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2ccncc21 ZINC000564466772 332018321 /nfs/dbraw/zinc/01/83/21/332018321.db2.gz VEZOITHEWXVGFP-UHFFFAOYSA-N 0 0 311.385 3.036 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)COC/C=C/c1ccccc1 ZINC000533875585 332228986 /nfs/dbraw/zinc/22/89/86/332228986.db2.gz HEIDHZMFWTYUIX-HKMNZKMDSA-N 0 0 300.402 3.161 10 30 DGEERN C=CCCCNC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000560025280 332303162 /nfs/dbraw/zinc/30/31/62/332303162.db2.gz LJKISLONILNFBK-LBPRGKRZSA-N 0 0 304.390 3.496 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000185024961 335108098 /nfs/dbraw/zinc/10/80/98/335108098.db2.gz YGLXHRCWKUMAPF-CYBMUJFWSA-N 0 0 311.385 3.192 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000245645577 332498625 /nfs/dbraw/zinc/49/86/25/332498625.db2.gz FTXBHMTVCGSRTH-ZIAGYGMSSA-N 0 0 317.424 3.102 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1OC ZINC000293643788 335114133 /nfs/dbraw/zinc/11/41/33/335114133.db2.gz IEVMUHMPTFPZCC-NVXWUHKLSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1OC ZINC000293643793 335114291 /nfs/dbraw/zinc/11/42/91/335114291.db2.gz IEVMUHMPTFPZCC-WBVHZDCISA-N 0 0 303.402 3.073 10 30 DGEERN C=C(C)[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209559 333009748 /nfs/dbraw/zinc/00/97/48/333009748.db2.gz BFBLFURFSAFLHF-SJCJKPOMSA-N 0 0 308.372 3.040 10 30 DGEERN Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180962472 333166442 /nfs/dbraw/zinc/16/64/42/333166442.db2.gz WXVGWVSCSUYEKE-GFCCVEGCSA-N 0 0 323.396 3.208 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000497937293 333311921 /nfs/dbraw/zinc/31/19/21/333311921.db2.gz LERGDXNFSMSONB-LBPRGKRZSA-N 0 0 300.402 3.391 10 30 DGEERN C=CCc1ccc(OCC(=O)NC(C)(CC)CC)c(OC)c1 ZINC000497992220 333318100 /nfs/dbraw/zinc/31/81/00/333318100.db2.gz ZZQNLGIEBJBDBU-UHFFFAOYSA-N 0 0 305.418 3.497 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000563172612 333427604 /nfs/dbraw/zinc/42/76/04/333427604.db2.gz IIGHRXHHMCDPNO-DOTOQJQBSA-N 0 0 323.440 3.383 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)COc1ccsc1 ZINC000337448926 333449452 /nfs/dbraw/zinc/44/94/52/333449452.db2.gz MSSITKDBEQQBKG-UHFFFAOYSA-N 0 0 305.374 3.481 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccnc(C)c1Br ZINC000525848461 333515079 /nfs/dbraw/zinc/51/50/79/333515079.db2.gz UFIXDIQNLWZOHC-UHFFFAOYSA-N 0 0 312.211 3.004 10 30 DGEERN CC#CCNC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000534207132 333568578 /nfs/dbraw/zinc/56/85/78/333568578.db2.gz GYVLZYUDGNHXDF-LBPRGKRZSA-N 0 0 308.784 3.219 10 30 DGEERN C=C(C)CS(=O)(=O)N(C)c1ccc(C)c(Br)c1 ZINC000563525944 333619208 /nfs/dbraw/zinc/61/92/08/333619208.db2.gz AFUDQWKTIOIVHI-UHFFFAOYSA-N 0 0 318.236 3.100 10 30 DGEERN C=C1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000292959127 334194697 /nfs/dbraw/zinc/19/46/97/334194697.db2.gz BEHXWKIOLGEWKG-UHFFFAOYSA-N 0 0 300.221 3.232 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC1CC(C)(C)C1 ZINC000572498230 338458203 /nfs/dbraw/zinc/45/82/03/338458203.db2.gz MLMCMMREMFZHHJ-UHFFFAOYSA-N 0 0 300.402 3.049 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC000350595447 335763640 /nfs/dbraw/zinc/76/36/40/335763640.db2.gz DYUJOGILCSEZFF-KEYYUXOJSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000302179529 336352621 /nfs/dbraw/zinc/35/26/21/336352621.db2.gz RMVCQCXOWATNGW-NSHDSACASA-N 0 0 316.279 3.395 10 30 DGEERN C=CCNc1nnc(Sc2nc(CC(C)C)ns2)s1 ZINC000302241852 336355903 /nfs/dbraw/zinc/35/59/03/336355903.db2.gz OJPPVBZSBGFVBA-UHFFFAOYSA-N 0 0 313.477 3.337 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000563938565 336387381 /nfs/dbraw/zinc/38/73/81/336387381.db2.gz NFOWUKIAMYVACH-SOLBZPMBSA-N 0 0 318.392 3.000 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC(F)F ZINC000355213838 336499213 /nfs/dbraw/zinc/49/92/13/336499213.db2.gz GFIKMXICPMNYLM-UHFFFAOYSA-N 0 0 324.371 3.201 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCC(C)(C2CC2)CC1 ZINC000359462062 336674002 /nfs/dbraw/zinc/67/40/02/336674002.db2.gz QAJPACDDOKSFJH-UHFFFAOYSA-N 0 0 300.402 3.299 10 30 DGEERN C=CCn1c(C)nnc1SCC(=O)c1c[nH]c2ccccc21 ZINC000021989288 336916666 /nfs/dbraw/zinc/91/66/66/336916666.db2.gz DZJJTXSQVVOSRB-UHFFFAOYSA-N 0 0 312.398 3.229 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)N(CC#N)c2ccccc2)c1 ZINC000170948014 337085645 /nfs/dbraw/zinc/08/56/45/337085645.db2.gz JFCPNZNTBQNLOO-MSOLQXFVSA-N 0 0 306.365 3.355 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)cc1 ZINC000185195664 337202641 /nfs/dbraw/zinc/20/26/41/337202641.db2.gz VOXHKZCXNQBRRK-CABCVRRESA-N 0 0 301.390 3.225 10 30 DGEERN C=CCn1c(S[C@H](C(C)=O)C(C)C)nnc1-c1ccccn1 ZINC000583202973 337269291 /nfs/dbraw/zinc/26/92/91/337269291.db2.gz ALYNBJSXSSMQCH-AWEZNQCLSA-N 0 0 316.430 3.232 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000583212085 337272983 /nfs/dbraw/zinc/27/29/83/337272983.db2.gz IXTJMZWDLMSMPP-UHFFFAOYSA-N 0 0 304.390 3.270 10 30 DGEERN C=CCCCCCNC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000583212754 337273345 /nfs/dbraw/zinc/27/33/45/337273345.db2.gz SKTLSRWYPRJUMP-INIZCTEOSA-N 0 0 306.450 3.333 10 30 DGEERN C=CCCOCCNC(=O)c1cc2cccc(F)c2nc1C ZINC000583325394 337316304 /nfs/dbraw/zinc/31/63/04/337316304.db2.gz KVRDMOWLXXJXNH-UHFFFAOYSA-N 0 0 302.349 3.005 10 30 DGEERN N#Cc1cc(F)cc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1 ZINC000584598693 337370533 /nfs/dbraw/zinc/37/05/33/337370533.db2.gz CSNUICAIKLKJIH-UHFFFAOYSA-N 0 0 322.343 3.077 10 30 DGEERN C[C@H](O)C#Cc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000584606335 337371714 /nfs/dbraw/zinc/37/17/14/337371714.db2.gz UHTFSVNRIOEYLO-NSHDSACASA-N 0 0 302.732 3.442 10 30 DGEERN Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(F)cc3F)c21 ZINC000584618885 337373359 /nfs/dbraw/zinc/37/33/59/337373359.db2.gz VUYFJJNQDSXDJQ-UHFFFAOYSA-N 0 0 311.291 3.094 10 30 DGEERN C=CC[C@@H](Cc1cc(OC)c(OC)c(OC)c1)N(CC)C(C)=O ZINC000584591171 337373435 /nfs/dbraw/zinc/37/34/35/337373435.db2.gz NRAAKOQERZCPLH-HNNXBMFYSA-N 0 0 321.417 3.068 10 30 DGEERN CCC(=O)[C@@]1(CC)CC(=O)Nc2c1c(C#N)cn2C(C)(C)C ZINC000584662295 337378409 /nfs/dbraw/zinc/37/84/09/337378409.db2.gz ULAROXARZDPDEZ-QGZVFWFLSA-N 0 0 301.390 3.084 10 30 DGEERN CCCCCCCC(=O)NC[C@H](CO)OCCCCCC ZINC000584651070 337380928 /nfs/dbraw/zinc/38/09/28/337380928.db2.gz YWKMQFXNVNWCHD-MRXNPFEDSA-N 0 0 301.471 3.421 10 30 DGEERN O=C(CCCCCCc1ccc(C(F)(F)F)cc1)C(=O)NO ZINC000584652447 337381129 /nfs/dbraw/zinc/38/11/29/337381129.db2.gz KNEJHSLCGAFGJR-UHFFFAOYSA-N 0 0 317.307 3.273 10 30 DGEERN C=CCC1(C(=O)N(C)c2cc(OC)cc(OC)c2)CCOCC1 ZINC000424789146 337414737 /nfs/dbraw/zinc/41/47/37/337414737.db2.gz HXHDJEIAPVRYGM-UHFFFAOYSA-N 0 0 319.401 3.040 10 30 DGEERN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)C1CC1 ZINC000161651562 337594055 /nfs/dbraw/zinc/59/40/55/337594055.db2.gz HUHAOHPDNSXMOD-CYBMUJFWSA-N 0 0 315.760 3.335 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(C)cccc1SC ZINC000580426033 337673118 /nfs/dbraw/zinc/67/31/18/337673118.db2.gz YXZMOWHPFWNEIF-STQMWFEESA-N 0 0 306.431 3.430 10 30 DGEERN C=CCC(CC=C)C(=O)N1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000516183955 338006137 /nfs/dbraw/zinc/00/61/37/338006137.db2.gz DLQCWIZGJFUGLA-SQWLQELKSA-N 0 0 307.434 3.334 10 30 DGEERN C=CCN(CC=C)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC000501665165 340086189 /nfs/dbraw/zinc/08/61/89/340086189.db2.gz GZPISDYAFMOHQQ-UHFFFAOYSA-N 0 0 301.411 3.344 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000504058462 340140224 /nfs/dbraw/zinc/14/02/24/340140224.db2.gz BOFPMOJPKWQQGE-LBPRGKRZSA-N 0 0 320.399 3.368 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000504308046 340144779 /nfs/dbraw/zinc/14/47/79/340144779.db2.gz WJTBYOIWGFVLKJ-UHFFFAOYSA-N 0 0 300.324 3.254 10 30 DGEERN C=C(C)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000505433131 340168349 /nfs/dbraw/zinc/16/83/49/340168349.db2.gz NJHCZUWHPWQEKU-UHFFFAOYSA-N 0 0 320.392 3.448 10 30 DGEERN Cc1nc([C@H](C#N)C(=O)Nc2cc(C)ccc2F)sc1C ZINC000505755128 340176648 /nfs/dbraw/zinc/17/66/48/340176648.db2.gz CIWVZSHUPOPASS-LLVKDONJSA-N 0 0 303.362 3.453 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C1CC1 ZINC000505757542 340176756 /nfs/dbraw/zinc/17/67/56/340176756.db2.gz SPBCSQRDFOJBAG-CQSZACIVSA-N 0 0 304.438 3.350 10 30 DGEERN CC[C@](C)(C#N)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000506534691 340196263 /nfs/dbraw/zinc/19/62/63/340196263.db2.gz YJZFXBDWRWPYRC-XHDPSFHLSA-N 0 0 323.234 3.436 10 30 DGEERN C=CCCCCCN(C)c1nnc(CCc2ccco2)n1C ZINC000507793310 340231658 /nfs/dbraw/zinc/23/16/58/340231658.db2.gz LVCPUMWHSJNQBC-UHFFFAOYSA-N 0 0 302.422 3.376 10 30 DGEERN C=CCn1c(COc2ccc(C)cc2)nnc1N(C)CC1CC1 ZINC000508472335 340244423 /nfs/dbraw/zinc/24/44/23/340244423.db2.gz JTCNWFGKAAKYJV-UHFFFAOYSA-N 0 0 312.417 3.198 10 30 DGEERN C=CCCCN(C)c1nnc(COc2ccccc2CC)n1C ZINC000508530503 340245856 /nfs/dbraw/zinc/24/58/56/340245856.db2.gz GLVZEKLUJHHVRY-UHFFFAOYSA-N 0 0 314.433 3.359 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000508813468 340253590 /nfs/dbraw/zinc/25/35/90/340253590.db2.gz OTXOJRMMCDDICX-OAHLLOKOSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](CC)C1 ZINC000508817114 340253731 /nfs/dbraw/zinc/25/37/31/340253731.db2.gz MKCPJGIHVVTPFA-HNNXBMFYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC000172905013 340347447 /nfs/dbraw/zinc/34/74/47/340347447.db2.gz IEPDIDBASDFOKL-CQSZACIVSA-N 0 0 313.319 3.184 10 30 DGEERN C=CC1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173301252 340361851 /nfs/dbraw/zinc/36/18/51/340361851.db2.gz ZDMMRUVEMLDOQO-LSDHHAIUSA-N 0 0 322.449 3.104 10 30 DGEERN C=C(CNC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1)c1ccccc1 ZINC000512659673 340371538 /nfs/dbraw/zinc/37/15/38/340371538.db2.gz JDIROEWVTPCUJC-SJORKVTESA-N 0 0 316.445 3.138 10 30 DGEERN Cc1nc(NC(=O)[C@@H](C)c2cccnc2)sc1SCC#N ZINC000174456450 340388925 /nfs/dbraw/zinc/38/89/25/340388925.db2.gz DTCNSIPFPKTUTJ-VIFPVBQESA-N 0 0 318.427 3.204 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000517192779 340465160 /nfs/dbraw/zinc/46/51/60/340465160.db2.gz YFWPYBFHJJKCQU-SFHVURJKSA-N 0 0 304.409 3.467 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC000520895917 340476855 /nfs/dbraw/zinc/47/68/55/340476855.db2.gz ANQSSXPCJRGEQF-SFHVURJKSA-N 0 0 312.392 3.417 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1(C(=O)N(CC)CC)CCCCC1 ZINC000185459588 340501251 /nfs/dbraw/zinc/50/12/51/340501251.db2.gz JRJRPYNZWFMNPS-OAHLLOKOSA-N 0 0 308.466 3.276 10 30 DGEERN C=CC[C@H](C(=O)NCCc1c(C)nn(C)c1C)c1ccccc1 ZINC000186629739 340514848 /nfs/dbraw/zinc/51/48/48/340514848.db2.gz HYFOHRPIKINKMC-SFHVURJKSA-N 0 0 311.429 3.056 10 30 DGEERN COc1ccc2[nH]c(C(=O)Nc3ccc(CC#N)cc3)cc2c1 ZINC000188998540 340524146 /nfs/dbraw/zinc/52/41/46/340524146.db2.gz LGFCPYYVWNLWRC-UHFFFAOYSA-N 0 0 305.337 3.495 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000194560719 340593496 /nfs/dbraw/zinc/59/34/96/340593496.db2.gz OGJUNROHGPYNCO-JTQLQIEISA-N 0 0 300.374 3.244 10 30 DGEERN C=CC1CCN(C(=O)c2cc(C)n([C@H]3CCOC3)c2C)CC1 ZINC000528518949 340722672 /nfs/dbraw/zinc/72/26/72/340722672.db2.gz HDOXEQXIDHWGAQ-INIZCTEOSA-N 0 0 302.418 3.105 10 30 DGEERN C=C(C)CS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528543300 340723768 /nfs/dbraw/zinc/72/37/68/340723768.db2.gz XLHFRPRNQMPJJV-OAHLLOKOSA-N 0 0 311.422 3.300 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529246479 340750084 /nfs/dbraw/zinc/75/00/84/340750084.db2.gz KYEPQSZKIKUWCI-BGTYHANMSA-N 0 0 317.404 3.417 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529258346 340751064 /nfs/dbraw/zinc/75/10/64/340751064.db2.gz SASOZKKXTKXJQV-JTQLQIEISA-N 0 0 315.339 3.323 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000529501731 340758037 /nfs/dbraw/zinc/75/80/37/340758037.db2.gz NXIKWONLYCSYDR-WPRPVWTQSA-N 0 0 305.321 3.088 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(CC)oc2ccccc21 ZINC000529501742 340758076 /nfs/dbraw/zinc/75/80/76/340758076.db2.gz OBKBXQYKBBKFSY-BBRMVZONSA-N 0 0 313.397 3.245 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000529501670 340758115 /nfs/dbraw/zinc/75/81/15/340758115.db2.gz MTMBJZIDCDGBHO-JSGCOSHPSA-N 0 0 313.319 3.335 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000529944555 340774651 /nfs/dbraw/zinc/77/46/51/340774651.db2.gz QKEDUTCLXGAART-MAUKXSAKSA-N 0 0 305.393 3.247 10 30 DGEERN C=CCC1(CN2C(=O)[C@@H]3c4ccoc4CCN3C2=O)CCCC1 ZINC000530201722 340782367 /nfs/dbraw/zinc/78/23/67/340782367.db2.gz QDGIHAYZMSOGCC-HNNXBMFYSA-N 0 0 314.385 3.278 10 30 DGEERN C=C[C@@H](CC(=O)Nc1nnc2cc(C)ccn21)c1ccccc1 ZINC000125732706 340807342 /nfs/dbraw/zinc/80/73/42/340807342.db2.gz JKSVSNGHXXFKKF-AWEZNQCLSA-N 0 0 306.369 3.336 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000543400481 341042437 /nfs/dbraw/zinc/04/24/37/341042437.db2.gz LNHDPBDYQQVEKR-NSHDSACASA-N 0 0 300.324 3.300 10 30 DGEERN CC1(C#N)CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000543739057 341055925 /nfs/dbraw/zinc/05/59/25/341055925.db2.gz YUCRWQYPSXPTKI-UHFFFAOYSA-N 0 0 308.385 3.395 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000544133636 341071548 /nfs/dbraw/zinc/07/15/48/341071548.db2.gz VJCCODSYBLPYQK-KRWDZBQOSA-N 0 0 302.418 3.087 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000545231451 341115893 /nfs/dbraw/zinc/11/58/93/341115893.db2.gz VMQGRDVHDSLUDQ-OAHLLOKOSA-N 0 0 307.434 3.150 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000545321242 341121319 /nfs/dbraw/zinc/12/13/19/341121319.db2.gz DCLCGIXMJBRLAY-OAHLLOKOSA-N 0 0 324.465 3.496 10 30 DGEERN C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)C1CCOCC1 ZINC000132984500 341151131 /nfs/dbraw/zinc/15/11/31/341151131.db2.gz NFZMTIHFIFGXCW-KXBFYZLASA-N 0 0 314.429 3.080 10 30 DGEERN N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C1CC1 ZINC000133248883 341166150 /nfs/dbraw/zinc/16/61/50/341166150.db2.gz QMLCCBWINJLWCL-UPJWGTAASA-N 0 0 324.302 3.107 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000076312475 341205580 /nfs/dbraw/zinc/20/55/80/341205580.db2.gz KVSOATZJKRZTAI-UHFFFAOYSA-N 0 0 318.417 3.145 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CSC ZINC000077626788 341227656 /nfs/dbraw/zinc/22/76/56/341227656.db2.gz MUGWOHSBTNMRAL-LBPRGKRZSA-N 0 0 323.418 3.044 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000135031180 341229377 /nfs/dbraw/zinc/22/93/77/341229377.db2.gz QVNDAXUEFSVVAE-HNNXBMFYSA-N 0 0 322.836 3.432 10 30 DGEERN C=CCN(C(=O)CSCC(=O)OC(C)(C)C)c1ccccc1 ZINC000078076842 341235249 /nfs/dbraw/zinc/23/52/49/341235249.db2.gz HDCSKDJMUWJSAE-UHFFFAOYSA-N 0 0 321.442 3.281 10 30 DGEERN C=CCCCNC(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000548721194 341270514 /nfs/dbraw/zinc/27/05/14/341270514.db2.gz BZZIETOWGLZESK-UHFFFAOYSA-N 0 0 305.328 3.155 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000548838185 341277443 /nfs/dbraw/zinc/27/74/43/341277443.db2.gz RBHMBLTWMXDXEH-INIZCTEOSA-N 0 0 314.429 3.248 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000548838186 341277467 /nfs/dbraw/zinc/27/74/67/341277467.db2.gz RBHMBLTWMXDXEH-MRXNPFEDSA-N 0 0 314.429 3.248 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1cnc2c(cnn2C)c1 ZINC000548838414 341277509 /nfs/dbraw/zinc/27/75/09/341277509.db2.gz OWRUOTMUMYFXHQ-UHFFFAOYSA-N 0 0 306.369 3.339 10 30 DGEERN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C)C1 ZINC000549260538 341289831 /nfs/dbraw/zinc/28/98/31/341289831.db2.gz FJLOWRRVMQKNMC-WMLDXEAASA-N 0 0 324.428 3.377 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC000549603813 341298640 /nfs/dbraw/zinc/29/86/40/341298640.db2.gz QBDQPCOKIOXZLR-MRXNPFEDSA-N 0 0 320.481 3.448 10 30 DGEERN C[C@@H]1CC[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)O1 ZINC000245979806 341320977 /nfs/dbraw/zinc/32/09/77/341320977.db2.gz GVCILOLRQZMOKI-BZHVJNSISA-N 0 0 313.184 3.242 10 30 DGEERN C=C(C)[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000248834944 341388126 /nfs/dbraw/zinc/38/81/26/341388126.db2.gz CQDGXRMQFAIVJF-KFNAQCHYSA-N 0 0 309.356 3.371 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O[C@H](C#N)C(C)(C)C)C1 ZINC000248950503 341390649 /nfs/dbraw/zinc/39/06/49/341390649.db2.gz ZTTWQRAHXJBILK-JHJVBQTASA-N 0 0 324.421 3.161 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O[C@H](C#N)C(C)(C)C)C1 ZINC000248950512 341390693 /nfs/dbraw/zinc/39/06/93/341390693.db2.gz ZTTWQRAHXJBILK-YNEHKIRRSA-N 0 0 324.421 3.161 10 30 DGEERN C=CCC[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000249546277 341399112 /nfs/dbraw/zinc/39/91/12/341399112.db2.gz GHQSFRFKNANJIN-FGTMMUONSA-N 0 0 301.430 3.404 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@@H](C2CCCCC2)C1 ZINC000555261640 341478750 /nfs/dbraw/zinc/47/87/50/341478750.db2.gz XYOLPIPFZJNACE-MRXNPFEDSA-N 0 0 318.465 3.202 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000555607600 341486836 /nfs/dbraw/zinc/48/68/36/341486836.db2.gz WJMNVGMPFKNLCC-HZPDHXFCSA-N 0 0 316.449 3.071 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)NCC3(C#N)CC3)c2)c1C ZINC000555862815 341490985 /nfs/dbraw/zinc/49/09/85/341490985.db2.gz LVIJFZFJKPKJFS-UHFFFAOYSA-N 0 0 322.412 3.085 10 30 DGEERN C=CCC1(C(=O)N2CCC(c3nnc(CC)[nH]3)CC2)CCCC1 ZINC000556284167 341500620 /nfs/dbraw/zinc/50/06/20/341500620.db2.gz PBORASMXYXUVNN-UHFFFAOYSA-N 0 0 316.449 3.210 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(OC)(C(F)(F)F)CC1 ZINC000564584118 341504464 /nfs/dbraw/zinc/50/44/64/341504464.db2.gz IKSZUCMJUFQBBW-UHFFFAOYSA-N 0 0 322.371 3.486 10 30 DGEERN C=CC1CCN(C(=O)NC[C@H]2CSc3ccccc3O2)CC1 ZINC000564900642 341512741 /nfs/dbraw/zinc/51/27/41/341512741.db2.gz NXJYQWWMVOFSTR-AWEZNQCLSA-N 0 0 318.442 3.147 10 30 DGEERN C=CC1CCN(C(=O)NC[C@@H]2CSc3ccccc3O2)CC1 ZINC000564900648 341512750 /nfs/dbraw/zinc/51/27/50/341512750.db2.gz NXJYQWWMVOFSTR-CQSZACIVSA-N 0 0 318.442 3.147 10 30 DGEERN C=CCCCCCN1C(=O)N[C@H](c2ccc(OC)cc2)C1=O ZINC000565488561 341528892 /nfs/dbraw/zinc/52/88/92/341528892.db2.gz NFIYJMWGOMSUCI-OAHLLOKOSA-N 0 0 302.374 3.035 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000566616938 341563359 /nfs/dbraw/zinc/56/33/59/341563359.db2.gz QQTSYIGPFXSTRT-KCMWZYNZSA-N 0 0 314.429 3.200 10 30 DGEERN C=CCCCCCN(C)C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000153580780 341575286 /nfs/dbraw/zinc/57/52/86/341575286.db2.gz MSRAJKHYQGQEKX-UHFFFAOYSA-N 0 0 323.481 3.021 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](c3ccncc3)C2)CCOCC1 ZINC000577733830 341932808 /nfs/dbraw/zinc/93/28/08/341932808.db2.gz FLXDYMVUCGNEFF-QGZVFWFLSA-N 0 0 314.429 3.161 10 30 DGEERN C[C@H](NC(=O)c1cccc(CC#N)c1)[C@H]1COc2ccccc21 ZINC000178840081 533757662 /nfs/dbraw/zinc/75/76/62/533757662.db2.gz CHOGHDXTPZFGQA-SUMWQHHRSA-N 0 0 306.365 3.047 10 30 DGEERN COC(=O)c1cc2ccccc2cc1OC[C@H](C#N)CCC#N ZINC000119284962 533944700 /nfs/dbraw/zinc/94/47/00/533944700.db2.gz MEXHAKLUBNGHDS-ZDUSSCGKSA-N 0 0 308.337 3.449 10 30 DGEERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C#N)cn1C ZINC000176641655 534045537 /nfs/dbraw/zinc/04/55/37/534045537.db2.gz DDCFNSZOZOKCJA-LBPRGKRZSA-N 0 0 307.353 3.476 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCCC2)cc(C)c1OC(F)F ZINC000107595002 534052662 /nfs/dbraw/zinc/05/26/62/534052662.db2.gz MOCOOTKVZPBWQO-UHFFFAOYSA-N 0 0 308.328 3.471 10 30 DGEERN C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180042219 534128549 /nfs/dbraw/zinc/12/85/49/534128549.db2.gz CCNYHKIADJOSMP-AWEZNQCLSA-N 0 0 305.381 3.470 10 30 DGEERN C[C@H]1SCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000180919226 534134479 /nfs/dbraw/zinc/13/44/79/534134479.db2.gz GNVSDHJPTCYCFT-QWHCGFSZSA-N 0 0 300.427 3.208 10 30 DGEERN C[C@H](NC(=O)N[C@@H]1CCCC12CCOCC2)c1ccncc1F ZINC000328760703 534279601 /nfs/dbraw/zinc/27/96/01/534279601.db2.gz XLNWHQZYPXEJJG-SWLSCSKDSA-N 0 0 321.396 3.135 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CCC[C@H](O)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000454824018 534337258 /nfs/dbraw/zinc/33/72/58/534337258.db2.gz XMDZLBYGAVWEGX-UVBJJODRSA-N 0 0 324.371 3.137 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000468987645 534357472 /nfs/dbraw/zinc/35/74/72/534357472.db2.gz NUEXRMTZVKHJTN-IAGOWNOFSA-N 0 0 301.430 3.370 10 30 DGEERN C=CCn1c(N(C)Cc2ccoc2C)nnc1[C@@]1(C)CCCO1 ZINC000453433801 534443313 /nfs/dbraw/zinc/44/33/13/534443313.db2.gz DITIJIRWGHCKJX-QGZVFWFLSA-N 0 0 316.405 3.028 10 30 DGEERN Cc1ccc2c(c1)nc(CNc1cc(C)nc(C)c1C#N)n2C ZINC000302217109 534456656 /nfs/dbraw/zinc/45/66/56/534456656.db2.gz JKFHDKKFLFXXSB-UHFFFAOYSA-N 0 0 305.385 3.377 10 30 DGEERN CCOC(=NC(=O)c1ccc(OC)cc1)NCc1ccccc1 ZINC000004421597 520389892 /nfs/dbraw/zinc/38/98/92/520389892.db2.gz LSZQFOLYHPLWNU-UHFFFAOYSA-N 0 0 312.369 3.018 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000455376967 534505989 /nfs/dbraw/zinc/50/59/89/534505989.db2.gz BPOLLAJGWJYBKL-UHFFFAOYSA-N 0 0 319.424 3.260 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCc2cccc(OC)c2CC1 ZINC000458993813 534508908 /nfs/dbraw/zinc/50/89/08/534508908.db2.gz YFWJHBPYBZSXDQ-UHFFFAOYSA-N 0 0 302.418 3.018 10 30 DGEERN C=CC(C)(C)CNC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000455393583 534511240 /nfs/dbraw/zinc/51/12/40/534511240.db2.gz ZTILMEXDYFQGLC-UHFFFAOYSA-N 0 0 312.417 3.383 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N(CC1CC1)CC1CC1)CCC2 ZINC000328642314 534511980 /nfs/dbraw/zinc/51/19/80/534511980.db2.gz DRMOBRCWIZCJKP-INIZCTEOSA-N 0 0 316.449 3.105 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000455358321 534517888 /nfs/dbraw/zinc/51/78/88/534517888.db2.gz SCJMWYRITCKGMW-UHFFFAOYSA-N 0 0 318.421 3.186 10 30 DGEERN C=CCC(C)(C)C(=O)NCc1nc(C)c(Br)s1 ZINC000452400253 534539887 /nfs/dbraw/zinc/53/98/87/534539887.db2.gz SUGXBCUUZIOGPH-UHFFFAOYSA-N 0 0 317.252 3.433 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000488881868 534552969 /nfs/dbraw/zinc/55/29/69/534552969.db2.gz UJNRDUNYBYDKGP-OAGGEKHMSA-N 0 0 313.397 3.128 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000455434998 534564165 /nfs/dbraw/zinc/56/41/65/534564165.db2.gz PTJNODYAHJFSSH-CABCVRRESA-N 0 0 308.809 3.215 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000451006656 534576372 /nfs/dbraw/zinc/57/63/72/534576372.db2.gz HWDQEBPRRFXIKU-IKGGRYGDSA-N 0 0 314.429 3.289 10 30 DGEERN N#CC1CCC(CNC(=O)NCCOC2CCCCCC2)CC1 ZINC000440999394 534580503 /nfs/dbraw/zinc/58/05/03/534580503.db2.gz OSURBUZLWUTRTE-UHFFFAOYSA-N 0 0 321.465 3.355 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@H]3COc4ccccc43)cc2)CC1 ZINC000180060037 534576961 /nfs/dbraw/zinc/57/69/61/534576961.db2.gz CCVONZRTDLOQOV-INIZCTEOSA-N 0 0 304.349 3.105 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000450000073 534579575 /nfs/dbraw/zinc/57/95/75/534579575.db2.gz RGTCLSGVZSSZSA-MIGQKNRLSA-N 0 0 303.402 3.479 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000451765131 534582743 /nfs/dbraw/zinc/58/27/43/534582743.db2.gz XFGROVCOQLXXHO-DOMZBBRYSA-N 0 0 318.373 3.422 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000456142881 534595731 /nfs/dbraw/zinc/59/57/31/534595731.db2.gz FXAMAGVQZJMCQA-MOPGFXCFSA-N 0 0 321.420 3.452 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000455422366 534600884 /nfs/dbraw/zinc/60/08/84/534600884.db2.gz WYGVLXLPNZOCEW-NXHRZFHOSA-N 0 0 314.429 3.146 10 30 DGEERN CCc1nnc(NCCC[C@@H]2CCCC[C@H]2O)c(C#N)c1CC ZINC000154534201 522777448 /nfs/dbraw/zinc/77/74/48/522777448.db2.gz KXKKGQXZWSODKJ-SUMWQHHRSA-N 0 0 316.449 3.216 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000495228228 534690519 /nfs/dbraw/zinc/69/05/19/534690519.db2.gz DGTMAFGTDKGVOX-ZBFHGGJFSA-N 0 0 302.418 3.376 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(CS(=O)(=O)CC)cc1 ZINC000455972051 534702958 /nfs/dbraw/zinc/70/29/58/534702958.db2.gz NPBQRLRZIFVLBQ-UHFFFAOYSA-N 0 0 324.446 3.051 10 30 DGEERN COc1ccc(C#N)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000156875476 523527690 /nfs/dbraw/zinc/52/76/90/523527690.db2.gz HMVUOUBDXKIIND-QGZVFWFLSA-N 0 0 314.410 3.202 10 30 DGEERN C=CCCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000468376667 534729178 /nfs/dbraw/zinc/72/91/78/534729178.db2.gz GKWHWLZLJOLNIG-LLVKDONJSA-N 0 0 312.207 3.299 10 30 DGEERN C=CCCCS(=O)(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000489121018 534741697 /nfs/dbraw/zinc/74/16/97/534741697.db2.gz WAXSCAIZZWNIDW-INIZCTEOSA-N 0 0 311.422 3.129 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)O1 ZINC000153245571 524563857 /nfs/dbraw/zinc/56/38/57/524563857.db2.gz AATOIWYBEMWAFR-MFKMUULPSA-N 0 0 304.415 3.395 10 30 DGEERN O=C(NCC(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155758925 534804271 /nfs/dbraw/zinc/80/42/71/534804271.db2.gz OCQVOLWWIBAXTE-VIFPVBQESA-N 0 0 318.192 3.133 10 30 DGEERN N#Cc1ccnc(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000436013678 534823470 /nfs/dbraw/zinc/82/34/70/534823470.db2.gz NQYQAHIFMYAOPK-UHFFFAOYSA-N 0 0 322.151 3.278 10 30 DGEERN COc1cccc(/C=N\n2cnnc2SCc2ccccc2)c1 ZINC000033289701 525777544 /nfs/dbraw/zinc/77/75/44/525777544.db2.gz NGSSGVWINFTZSL-ODLFYWEKSA-N 0 0 324.409 3.461 10 30 DGEERN CC#CCCCC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000185529148 526290561 /nfs/dbraw/zinc/29/05/61/526290561.db2.gz XLPUMTVXDXWHFX-UHFFFAOYSA-N 0 0 324.468 3.481 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000189659796 526291148 /nfs/dbraw/zinc/29/11/48/526291148.db2.gz BBPACCBQQXEYJQ-YOEHRIQHSA-N 0 0 302.418 3.469 10 30 DGEERN C=CCN(CCOC)c1nn2cc(C3CCCC3)nc2s1 ZINC000357656840 526305632 /nfs/dbraw/zinc/30/56/32/526305632.db2.gz MZLCLATUFXEJOP-UHFFFAOYSA-N 0 0 306.435 3.087 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C#N)ccn1 ZINC000339239558 526334665 /nfs/dbraw/zinc/33/46/65/526334665.db2.gz ORYNQVQRZQVRGI-UHFFFAOYSA-N 0 0 317.801 3.497 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431217779 526338390 /nfs/dbraw/zinc/33/83/90/526338390.db2.gz JUVAEKJHYZMWRC-DLBZAZTESA-N 0 0 300.402 3.191 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCSC ZINC000346005907 526346174 /nfs/dbraw/zinc/34/61/74/526346174.db2.gz LYOHDBUQAOXJOQ-UHFFFAOYSA-N 0 0 308.403 3.253 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000444133287 526348219 /nfs/dbraw/zinc/34/82/19/526348219.db2.gz DYHMLWWGBVQSAG-UKRRQHHQSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000045934499 526356773 /nfs/dbraw/zinc/35/67/73/526356773.db2.gz BUCUMCOANQDJGS-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN C=CCN(Cc1nc(C#N)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000356069369 526381326 /nfs/dbraw/zinc/38/13/26/526381326.db2.gz VCXYGTBTRMOYDD-UHFFFAOYSA-N 0 0 314.370 3.111 10 30 DGEERN C=CCN(c1nnc(-c2ncccc2C)n1CC(=C)C)C1CC1 ZINC000359103641 526385589 /nfs/dbraw/zinc/38/55/89/526385589.db2.gz NPYVLFULZMGMSY-UHFFFAOYSA-N 0 0 309.417 3.379 10 30 DGEERN C=C(C)CCSCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000350768509 526460479 /nfs/dbraw/zinc/46/04/79/526460479.db2.gz YNHOFQNFVZELCF-UHFFFAOYSA-N 0 0 315.442 3.188 10 30 DGEERN C=C(C)CN(C)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000351348810 526496168 /nfs/dbraw/zinc/49/61/68/526496168.db2.gz DHNGKNLVFCOWCV-UHFFFAOYSA-N 0 0 308.451 3.169 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000119513819 526499126 /nfs/dbraw/zinc/49/91/26/526499126.db2.gz AIVRQNSIDMVGPI-CQSZACIVSA-N 0 0 320.433 3.041 10 30 DGEERN C=C(C)CN(C)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000433874718 526504954 /nfs/dbraw/zinc/50/49/54/526504954.db2.gz YEZNVHWHDLAPOL-UHFFFAOYSA-N 0 0 311.447 3.324 10 30 DGEERN C=C(C)CN(CC)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155507118 526531377 /nfs/dbraw/zinc/53/13/77/526531377.db2.gz VSTSEEJDYIPIKS-UHFFFAOYSA-N 0 0 307.463 3.325 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)c(CC)o1 ZINC000342397742 526557226 /nfs/dbraw/zinc/55/72/26/526557226.db2.gz QCGQMHAPDFWOJS-UHFFFAOYSA-N 0 0 317.385 3.454 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1cnc(C)cn1 ZINC000428959976 526562140 /nfs/dbraw/zinc/56/21/40/526562140.db2.gz ZWXOIFGFDQBBRT-CQSZACIVSA-N 0 0 301.390 3.010 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000358284503 526570490 /nfs/dbraw/zinc/57/04/90/526570490.db2.gz MCKHOGFCPYJGMN-GOEBONIOSA-N 0 0 304.438 3.350 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000342460306 526570865 /nfs/dbraw/zinc/57/08/65/526570865.db2.gz LGWMCPQPAUUBLF-DOTOQJQBSA-N 0 0 319.449 3.041 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCCC[C@H]1CCCC[C@@H]1O ZINC000154466501 526576438 /nfs/dbraw/zinc/57/64/38/526576438.db2.gz FXYLSRGZEXQIRC-WBMJQRKESA-N 0 0 303.362 3.210 10 30 DGEERN C=C(C)COCCNC(=O)N1CCC(n2c(C)ccc2C)CC1 ZINC000355416297 526634360 /nfs/dbraw/zinc/63/43/60/526634360.db2.gz HVIUEBKDAFCPFK-UHFFFAOYSA-N 0 0 319.449 3.044 10 30 DGEERN C=C(C)COc1cc(CN(C)Cc2cc[nH]n2)ccc1OC ZINC000353577917 526660368 /nfs/dbraw/zinc/66/03/68/526660368.db2.gz SYXFUNGOSARBKV-UHFFFAOYSA-N 0 0 301.390 3.005 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000364513534 526669003 /nfs/dbraw/zinc/66/90/03/526669003.db2.gz VBLGQIVNXNQVRS-QGZVFWFLSA-N 0 0 316.401 3.284 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000189798646 526688226 /nfs/dbraw/zinc/68/82/26/526688226.db2.gz MQWYSFLBRROZET-ZDUSSCGKSA-N 0 0 315.822 3.049 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)CNC(=O)[C@@H](C)CC(=C)C ZINC000183827484 526697863 /nfs/dbraw/zinc/69/78/63/526697863.db2.gz WJWKOOFFLPQVIS-IYBDPMFKSA-N 0 0 322.493 3.450 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000185558465 526698229 /nfs/dbraw/zinc/69/82/29/526698229.db2.gz LGPAOTHKIRBHCZ-GFCCVEGCSA-N 0 0 309.793 3.102 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000372805942 526698607 /nfs/dbraw/zinc/69/86/07/526698607.db2.gz TWDHAJUWQUWXQT-OAHLLOKOSA-N 0 0 320.477 3.276 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000185576582 526699689 /nfs/dbraw/zinc/69/96/89/526699689.db2.gz VDNNTHRRISCXJW-IUODEOHRSA-N 0 0 310.388 3.286 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(C(=O)NCCCC)cc1 ZINC000184230338 526700041 /nfs/dbraw/zinc/70/00/41/526700041.db2.gz KGGMSUHCQMYUOP-OAHLLOKOSA-N 0 0 316.445 3.435 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185792311 526702042 /nfs/dbraw/zinc/70/20/42/526702042.db2.gz FRQVIDGBJHLCQL-ZIAGYGMSSA-N 0 0 313.401 3.440 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000185367298 526702331 /nfs/dbraw/zinc/70/23/31/526702331.db2.gz XVORESUXTHHFAX-CYBMUJFWSA-N 0 0 300.402 3.428 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000185264337 526705999 /nfs/dbraw/zinc/70/59/99/526705999.db2.gz JFCAYTRTOKCHKT-ZDUSSCGKSA-N 0 0 320.458 3.071 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOc2ccc(C(=O)OCC)cc21 ZINC000192362005 526708658 /nfs/dbraw/zinc/70/86/58/526708658.db2.gz FNBFQCLVJFWDEK-ZDUSSCGKSA-N 0 0 317.385 3.191 10 30 DGEERN C#CCCCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000174112785 526710137 /nfs/dbraw/zinc/71/01/37/526710137.db2.gz ZEEXMTJKADJMII-UHFFFAOYSA-N 0 0 314.429 3.270 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCOc1cc(OC)cc(OC)c1 ZINC000185813102 526711094 /nfs/dbraw/zinc/71/10/94/526711094.db2.gz SHYAYEVZEAOCNX-AWEZNQCLSA-N 0 0 321.417 3.191 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nccn1CCc1ccccc1 ZINC000185803474 526711580 /nfs/dbraw/zinc/71/15/80/526711580.db2.gz KTBAAEATNJJJIK-INIZCTEOSA-N 0 0 311.429 3.344 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 ZINC000185621509 526713355 /nfs/dbraw/zinc/71/33/55/526713355.db2.gz KZJHHQJNUOCFDK-LBPRGKRZSA-N 0 0 314.389 3.457 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)CC(F)(F)F ZINC000338804341 526718412 /nfs/dbraw/zinc/71/84/12/526718412.db2.gz OPPYASLUVJYSOH-UHFFFAOYSA-N 0 0 300.284 3.113 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(CC)C[C@@H]1CCCO1 ZINC000358932749 526718458 /nfs/dbraw/zinc/71/84/58/526718458.db2.gz FORIDZBXELDWEP-HNNXBMFYSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1cscn1 ZINC000338858861 526718800 /nfs/dbraw/zinc/71/88/00/526718800.db2.gz GIOAIYLSPSIRNK-UHFFFAOYSA-N 0 0 315.402 3.207 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC000338804711 526720275 /nfs/dbraw/zinc/72/02/75/526720275.db2.gz WMNXTCHSLFLNRM-UKRRQHHQSA-N 0 0 316.405 3.118 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CC=C(c2cccc(OC)c2)CC1 ZINC000358949380 526723644 /nfs/dbraw/zinc/72/36/44/526723644.db2.gz GOWXBEBBPNMKBZ-UHFFFAOYSA-N 0 0 324.428 3.465 10 30 DGEERN C=CCOCCCC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000183625340 526733135 /nfs/dbraw/zinc/73/31/35/526733135.db2.gz YBAVOVWQPMZKBD-QGZVFWFLSA-N 0 0 316.445 3.097 10 30 DGEERN C=CCOCCCC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175194085 526737761 /nfs/dbraw/zinc/73/77/61/526737761.db2.gz ZPNMRDCBGBTEFO-UHFFFAOYSA-N 0 0 321.421 3.061 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)c1c(F)cccc1OC)OCC ZINC000339362272 526750166 /nfs/dbraw/zinc/75/01/66/526750166.db2.gz YNCVXQUECSGHNZ-SWLSCSKDSA-N 0 0 309.381 3.383 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H]1COc2c1ccc(C)c2C)OCC ZINC000339303709 526751954 /nfs/dbraw/zinc/75/19/54/526751954.db2.gz UBPHIFUGEWWDRQ-JKSUJKDBSA-N 0 0 303.402 3.224 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](OC)c1ccc(Cl)cc1 ZINC000346052419 526762643 /nfs/dbraw/zinc/76/26/43/526762643.db2.gz DCWKHPUAVCXLLF-JYJNAYRXSA-N 0 0 323.820 3.125 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000437740923 526774358 /nfs/dbraw/zinc/77/43/58/526774358.db2.gz AYEKEURSNXRWEL-HZMVEIRTSA-N 0 0 308.466 3.483 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC000437493866 526800279 /nfs/dbraw/zinc/80/02/79/526800279.db2.gz GBASLBXJSBENTO-NHYWBVRUSA-N 0 0 311.784 3.499 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cc(C#N)ccn1)c1ccc(F)c(F)c1 ZINC000356425597 526820168 /nfs/dbraw/zinc/82/01/68/526820168.db2.gz VHDKFNVSSIIGFW-INIZCTEOSA-N 0 0 313.307 3.279 10 30 DGEERN C=C(CNC(=O)CC1(CC(=O)OC)CCCC1)c1ccccc1 ZINC000360222548 526865264 /nfs/dbraw/zinc/86/52/64/526865264.db2.gz SGRWMGYNTSSPLN-UHFFFAOYSA-N 0 0 315.413 3.330 10 30 DGEERN C=CCOc1ccc(CN2CCOc3cc(O)ccc3C2)cc1 ZINC000348869884 526869866 /nfs/dbraw/zinc/86/98/66/526869866.db2.gz PZKKEQOCOAQZSB-UHFFFAOYSA-N 0 0 311.381 3.352 10 30 DGEERN C=C(CNS(=O)(=O)C[C@H]1CCCC1(F)F)c1ccccc1 ZINC000296054242 526881480 /nfs/dbraw/zinc/88/14/80/526881480.db2.gz OTYOAIKIJMKVFC-CQSZACIVSA-N 0 0 315.385 3.055 10 30 DGEERN CC(C)(C)c1ncc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000188801650 526882705 /nfs/dbraw/zinc/88/27/05/526882705.db2.gz NVLWTWKEXCZPPB-UHFFFAOYSA-N 0 0 320.396 3.316 10 30 DGEERN C=C(CNS(=O)(=O)c1cccc2ncccc21)c1ccccc1 ZINC000344892541 526883648 /nfs/dbraw/zinc/88/36/48/526883648.db2.gz KQAAUOUJNRUDNL-UHFFFAOYSA-N 0 0 324.405 3.227 10 30 DGEERN C=C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2Cl)CC1 ZINC000356517620 526894207 /nfs/dbraw/zinc/89/42/07/526894207.db2.gz XQFYEQSRNAMPFI-UHFFFAOYSA-N 0 0 321.804 3.490 10 30 DGEERN C=C1CCN(CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000342004201 526903596 /nfs/dbraw/zinc/90/35/96/526903596.db2.gz NHIBLHVTNWDYSI-UHFFFAOYSA-N 0 0 316.449 3.054 10 30 DGEERN C=CCOc1cccc(NC(=O)C(=O)NC(C)(C)C(C)(C)C)c1 ZINC000342816215 526908178 /nfs/dbraw/zinc/90/81/78/526908178.db2.gz UKRLYMDRQMGUAS-UHFFFAOYSA-N 0 0 318.417 3.131 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172474384 526917931 /nfs/dbraw/zinc/91/79/31/526917931.db2.gz JKXMVZZCUCNDOW-ZWKOTPCHSA-N 0 0 324.380 3.031 10 30 DGEERN C=CCOc1cccc(NC(=O)c2nc3c(s2)CCC3)c1 ZINC000415000877 526920415 /nfs/dbraw/zinc/92/04/15/526920415.db2.gz BSBXRHVORXNJJA-UHFFFAOYSA-N 0 0 300.383 3.449 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359138680 526957276 /nfs/dbraw/zinc/95/72/76/526957276.db2.gz DJGHPCMBGWRUBR-KDOFPFPSSA-N 0 0 300.402 3.299 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359138679 526958256 /nfs/dbraw/zinc/95/82/56/526958256.db2.gz DJGHPCMBGWRUBR-KBXCAEBGSA-N 0 0 300.402 3.299 10 30 DGEERN C=CCOc1cccnc1C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000342140364 526969458 /nfs/dbraw/zinc/96/94/58/526969458.db2.gz QLYGBYMEDZLUGP-UHFFFAOYSA-N 0 0 308.341 3.083 10 30 DGEERN C=CCSCCNC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000411711988 526986071 /nfs/dbraw/zinc/98/60/71/526986071.db2.gz RXZSWZTUBRAGPH-MRXNPFEDSA-N 0 0 305.443 3.311 10 30 DGEERN C=CCSCCNC(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000340236982 526995477 /nfs/dbraw/zinc/99/54/77/526995477.db2.gz LSNGPORIHLYQPF-GFCCVEGCSA-N 0 0 318.446 3.232 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000297027220 527010484 /nfs/dbraw/zinc/01/04/84/527010484.db2.gz JQMAHWVLYUNYHQ-HZPDHXFCSA-N 0 0 317.433 3.203 10 30 DGEERN C=CCC(CC=C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000343609978 527027316 /nfs/dbraw/zinc/02/73/16/527027316.db2.gz HXPDSWGEIRIZJZ-UHFFFAOYSA-N 0 0 319.474 3.170 10 30 DGEERN C=CCC(CC=C)C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000361051180 527029765 /nfs/dbraw/zinc/02/97/65/527029765.db2.gz DCMVVVHDSWQCBS-CQSZACIVSA-N 0 0 323.383 3.000 10 30 DGEERN C=CC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000433871242 527031263 /nfs/dbraw/zinc/03/12/63/527031263.db2.gz VPXCPAAWOKJZMJ-CYBMUJFWSA-N 0 0 311.447 3.370 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000130351170 527033789 /nfs/dbraw/zinc/03/37/89/527033789.db2.gz ZYALOEVDOFYNJQ-UHFFFAOYSA-N 0 0 305.374 3.419 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccc(F)cc2F)CCOCC1 ZINC000424554495 527038931 /nfs/dbraw/zinc/03/89/31/527038931.db2.gz CCGUDBQDQDMODK-UHFFFAOYSA-N 0 0 309.356 3.296 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CCOCC1 ZINC000424889590 527058344 /nfs/dbraw/zinc/05/83/44/527058344.db2.gz HTSMGMRABWRGJG-GOEBONIOSA-N 0 0 303.377 3.171 10 30 DGEERN C=CCCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000359525190 527075194 /nfs/dbraw/zinc/07/51/94/527075194.db2.gz NXBMVIONBRURIX-WBVHZDCISA-N 0 0 315.413 3.121 10 30 DGEERN C=CCCC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000359525188 527076445 /nfs/dbraw/zinc/07/64/45/527076445.db2.gz NXBMVIONBRURIX-NVXWUHKLSA-N 0 0 315.413 3.121 10 30 DGEERN C=CCCC(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000337381400 527076578 /nfs/dbraw/zinc/07/65/78/527076578.db2.gz JKSBNDCNGGAOIY-IVMMDQJWSA-N 0 0 315.413 3.347 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000185754621 527086734 /nfs/dbraw/zinc/08/67/34/527086734.db2.gz LTWITJRCZFNLBM-ZDUSSCGKSA-N 0 0 317.360 3.072 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000185778811 527088567 /nfs/dbraw/zinc/08/85/67/527088567.db2.gz ZDYZVJDXIBLTKM-RISCZKNCSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000347750000 527093476 /nfs/dbraw/zinc/09/34/76/527093476.db2.gz JMAUMMYOEIPBCI-QWRGUYRKSA-N 0 0 316.323 3.003 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000185561818 527094169 /nfs/dbraw/zinc/09/41/69/527094169.db2.gz JUGXDTHSZKTEAD-DLBZAZTESA-N 0 0 302.418 3.154 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433805674 527096135 /nfs/dbraw/zinc/09/61/35/527096135.db2.gz WXDSOAVJYPKKKJ-LBPRGKRZSA-N 0 0 317.414 3.177 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1 ZINC000130580053 527100058 /nfs/dbraw/zinc/10/00/58/527100058.db2.gz FNZURKSYXOLVNC-ZDUSSCGKSA-N 0 0 309.369 3.118 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000413824764 527107660 /nfs/dbraw/zinc/10/76/60/527107660.db2.gz DNYSHMBIBJNCLP-JYJNAYRXSA-N 0 0 302.443 3.073 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000340157045 527135940 /nfs/dbraw/zinc/13/59/40/527135940.db2.gz ABOSPUPRKAKLBV-YOEHRIQHSA-N 0 0 303.402 3.004 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)Nc1ncccc1-c1nc(C)no1 ZINC000370194574 527161158 /nfs/dbraw/zinc/16/11/58/527161158.db2.gz PJTXVMFBAOIKGP-INIZCTEOSA-N 0 0 318.380 3.487 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000281662350 527161135 /nfs/dbraw/zinc/16/11/35/527161135.db2.gz JAAWKPDXDVANNT-UWVGGRQHSA-N 0 0 315.339 3.004 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000286867850 527161416 /nfs/dbraw/zinc/16/14/16/527161416.db2.gz CTAVBIRBUGACEE-ACBHZAAOSA-N 0 0 323.440 3.250 10 30 DGEERN C=CCCCCNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000347019218 527167888 /nfs/dbraw/zinc/16/78/88/527167888.db2.gz GUCGTQGCEJEJLZ-ZDUSSCGKSA-N 0 0 308.447 3.432 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1CCC=C ZINC000337504862 527179979 /nfs/dbraw/zinc/17/99/79/527179979.db2.gz PETWWHYFBOYHJM-UHFFFAOYSA-N 0 0 300.402 3.168 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000133562790 527186599 /nfs/dbraw/zinc/18/65/99/527186599.db2.gz YBBOGJGGBUZNNB-UHFFFAOYSA-N 0 0 303.406 3.127 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000184850975 527187995 /nfs/dbraw/zinc/18/79/95/527187995.db2.gz OIPITZXPYNCKAB-AWEZNQCLSA-N 0 0 318.417 3.468 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000346394677 527189983 /nfs/dbraw/zinc/18/99/83/527189983.db2.gz VLTBIMQJTWXQBO-UHFFFAOYSA-N 0 0 300.406 3.065 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000076650493 527190531 /nfs/dbraw/zinc/19/05/31/527190531.db2.gz QRYLBBAHLCEOPY-UHFFFAOYSA-N 0 0 303.406 3.255 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000076650360 527191169 /nfs/dbraw/zinc/19/11/69/527191169.db2.gz ZIJOKIUPKKGNNL-UHFFFAOYSA-N 0 0 303.406 3.255 10 30 DGEERN C=CCCCN(C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182495130 527191465 /nfs/dbraw/zinc/19/14/65/527191465.db2.gz SCJSTGKOLUMZMP-UHFFFAOYSA-N 0 0 316.430 3.188 10 30 DGEERN C=CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000076691129 527194426 /nfs/dbraw/zinc/19/44/26/527194426.db2.gz JAYOPEXBSDLGML-UHFFFAOYSA-N 0 0 317.389 3.233 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000183314900 527199873 /nfs/dbraw/zinc/19/98/73/527199873.db2.gz ZCYUENLRTVXQDF-TZMCWYRMSA-N 0 0 308.447 3.096 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000184737179 527202096 /nfs/dbraw/zinc/20/20/96/527202096.db2.gz CKUJGNOHHMWOHY-CQSZACIVSA-N 0 0 317.414 3.177 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000349742731 527202298 /nfs/dbraw/zinc/20/22/98/527202298.db2.gz IVXPTOVJJYWHEE-OAHLLOKOSA-N 0 0 320.433 3.369 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000350741603 527203166 /nfs/dbraw/zinc/20/31/66/527203166.db2.gz PXIBHQWBUCYAHG-MRVPVSSYSA-N 0 0 304.724 3.336 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000337050103 527208334 /nfs/dbraw/zinc/20/83/34/527208334.db2.gz IZKPAIWQDGZXSH-OAHLLOKOSA-N 0 0 322.364 3.162 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1sc(-c2ccccc2C)nc1C ZINC000337077562 527208976 /nfs/dbraw/zinc/20/89/76/527208976.db2.gz RVQMRCQUDCAECY-CYBMUJFWSA-N 0 0 316.426 3.094 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(CCCCC)cc1 ZINC000448373429 527209954 /nfs/dbraw/zinc/20/99/54/527209954.db2.gz IXLIHWWTAFANLF-UHFFFAOYSA-N 0 0 302.418 3.440 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000413842977 527216000 /nfs/dbraw/zinc/21/60/00/527216000.db2.gz YYYIYIAFAVPHGZ-CGTJXYLNSA-N 0 0 316.445 3.240 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000413833222 527216972 /nfs/dbraw/zinc/21/69/72/527216972.db2.gz KFQIVOQUCZHXMI-NBOOPKSLSA-N 0 0 316.445 3.381 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC(OCC(C)C)CC1 ZINC000302105734 527227667 /nfs/dbraw/zinc/22/76/67/527227667.db2.gz NNECYIYGIYEDHG-UHFFFAOYSA-N 0 0 300.402 3.402 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C)CC ZINC000069450346 527246295 /nfs/dbraw/zinc/24/62/95/527246295.db2.gz VSTQEZXCCWZWAG-UHFFFAOYSA-N 0 0 306.362 3.007 10 30 DGEERN C=CCc1ccc(OCC(=O)Nc2onc(C)c2C)c(OC)c1 ZINC000359750812 527254119 /nfs/dbraw/zinc/25/41/19/527254119.db2.gz WCTJVFOYHVTSIN-UHFFFAOYSA-N 0 0 316.357 3.046 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[C@@H](C)F ZINC000343171068 527257297 /nfs/dbraw/zinc/25/72/97/527257297.db2.gz VFOKXVGWPAZDRL-CYBMUJFWSA-N 0 0 320.408 3.341 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000350751287 527272914 /nfs/dbraw/zinc/27/29/14/527272914.db2.gz CMGHYNCAOJUASH-DZGCQCFKSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cnc(C)s1 ZINC000337811063 527279300 /nfs/dbraw/zinc/27/93/00/527279300.db2.gz LAXFLMLLTLEORZ-UHFFFAOYSA-N 0 0 315.402 3.125 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000181102797 527286041 /nfs/dbraw/zinc/28/60/41/527286041.db2.gz LDUGTUGBPUVZAC-AWEZNQCLSA-N 0 0 304.438 3.054 10 30 DGEERN CC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@H]2O)cc1Cl ZINC000330843952 527287064 /nfs/dbraw/zinc/28/70/64/527287064.db2.gz ZCFFKGDURKBHMQ-IINYFYTJSA-N 0 0 310.781 3.030 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000182655354 527293212 /nfs/dbraw/zinc/29/32/12/527293212.db2.gz VBLDXZGNFWEPIU-RDJZCZTQSA-N 0 0 314.429 3.152 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CC(=C)C ZINC000350656228 527319734 /nfs/dbraw/zinc/31/97/34/527319734.db2.gz YUDCVZJMSRCGRR-UHFFFAOYSA-N 0 0 300.406 3.245 10 30 DGEERN C=CCn1c(CN2CCCc3ccccc32)nnc1N(C)C1CC1 ZINC000351165147 527320697 /nfs/dbraw/zinc/32/06/97/527320697.db2.gz LDOQKPLBZMDVCK-UHFFFAOYSA-N 0 0 323.444 3.016 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000337810043 527320852 /nfs/dbraw/zinc/32/08/52/527320852.db2.gz KOJDHAZCTMNGTN-GJZGRUSLSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC(=O)Nc2ccccc21 ZINC000342868199 527328997 /nfs/dbraw/zinc/32/89/97/527328997.db2.gz UXWTXFGPJHBNGE-UHFFFAOYSA-N 0 0 316.401 3.125 10 30 DGEERN C=CCn1c(N2CCC3(CCOCC3)[C@@H]2C)nnc1C(C)(C)C ZINC000350731232 527329769 /nfs/dbraw/zinc/32/97/69/527329769.db2.gz YVZWDCCMKKGIPV-AWEZNQCLSA-N 0 0 318.465 3.157 10 30 DGEERN C=CCn1c(N2CCC[C@@]3(CCCOC3)C2)nnc1C(C)(C)C ZINC000337842236 527330026 /nfs/dbraw/zinc/33/00/26/527330026.db2.gz GBSGHCBRPLUQQA-GOSISDBHSA-N 0 0 318.465 3.159 10 30 DGEERN C=CCCOCCCCC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000342878502 527338340 /nfs/dbraw/zinc/33/83/40/527338340.db2.gz ZAFCAMSCGOLVKZ-UHFFFAOYSA-N 0 0 318.417 3.371 10 30 DGEERN C=CCn1c(SCCC(C)(C)OC)nnc1-c1ccccn1 ZINC000344669645 527338376 /nfs/dbraw/zinc/33/83/76/527338376.db2.gz LBESVRBWXCPFNP-UHFFFAOYSA-N 0 0 318.446 3.433 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000161325034 527356987 /nfs/dbraw/zinc/35/69/87/527356987.db2.gz IMZIVQCYOKGNHS-QGZVFWFLSA-N 0 0 314.385 3.261 10 30 DGEERN C=CCCOCCNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000282897526 527361430 /nfs/dbraw/zinc/36/14/30/527361430.db2.gz TVVDZMJBWYZZPN-HNNXBMFYSA-N 0 0 317.429 3.338 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000183611253 527392828 /nfs/dbraw/zinc/39/28/28/527392828.db2.gz PACPZXLAWUESRI-SJORKVTESA-N 0 0 316.445 3.095 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121557971 527402081 /nfs/dbraw/zinc/40/20/81/527402081.db2.gz QPNMAYVZIADLCA-HIFRSBDPSA-N 0 0 303.402 3.386 10 30 DGEERN C=CCCS(=O)(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000356706899 527406695 /nfs/dbraw/zinc/40/66/95/527406695.db2.gz UIFJIBNHOWYZDZ-HNNXBMFYSA-N 0 0 308.447 3.077 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000360069265 527407653 /nfs/dbraw/zinc/40/76/53/527407653.db2.gz DDDLQBKOSCMTEC-IUODEOHRSA-N 0 0 302.422 3.249 10 30 DGEERN CC(=O)c1csc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC000359119262 527426564 /nfs/dbraw/zinc/42/65/64/527426564.db2.gz CTMPDNPFANMSAP-CYBMUJFWSA-N 0 0 302.330 3.084 10 30 DGEERN C#Cc1ccc(CNC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000295559464 527436954 /nfs/dbraw/zinc/43/69/54/527436954.db2.gz UEJGTXBIILXWIP-LJQANCHMSA-N 0 0 305.377 3.102 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)c1ccccc1N)c1ccccc1 ZINC000342494216 527451624 /nfs/dbraw/zinc/45/16/24/527451624.db2.gz LCPRMNOTQLBWRI-MRXNPFEDSA-N 0 0 316.426 3.255 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000331335571 527481466 /nfs/dbraw/zinc/48/14/66/527481466.db2.gz QDTITHNLHQQAFU-DOMZBBRYSA-N 0 0 305.422 3.410 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(C(C)C)cc1 ZINC000424929583 527492760 /nfs/dbraw/zinc/49/27/60/527492760.db2.gz BTRPIQFGBNJZGZ-ROUUACIJSA-N 0 0 301.430 3.450 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)NC[C@]2(C)CCCO2)cc1 ZINC000131109541 527497275 /nfs/dbraw/zinc/49/72/75/527497275.db2.gz QZKUFGACQPTPHH-KRWDZBQOSA-N 0 0 301.390 3.178 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CC ZINC000337141779 527509656 /nfs/dbraw/zinc/50/96/56/527509656.db2.gz SNMOZHIIRMBWMY-OAHLLOKOSA-N 0 0 318.442 3.055 10 30 DGEERN C=CCN(C(=O)CCC1CC1)c1nc(C(=O)OCC)cs1 ZINC000115043301 527533970 /nfs/dbraw/zinc/53/39/70/527533970.db2.gz LFTCKBIEQYPPBY-UHFFFAOYSA-N 0 0 308.403 3.029 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000355995697 527538304 /nfs/dbraw/zinc/53/83/04/527538304.db2.gz UTCJOEKWNAZNIF-OAHLLOKOSA-N 0 0 315.335 3.295 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155767366 527563386 /nfs/dbraw/zinc/56/33/86/527563386.db2.gz BTAQBRJVNUXTTP-CPCISQLKSA-N 0 0 308.250 3.442 10 30 DGEERN C=C[C@H](C)NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000349415703 527566212 /nfs/dbraw/zinc/56/62/12/527566212.db2.gz RLYRUXRHDUWQQF-DZGCQCFKSA-N 0 0 301.434 3.184 10 30 DGEERN C=C[C@H](CC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000135357614 527573065 /nfs/dbraw/zinc/57/30/65/527573065.db2.gz SZSBPARTYOEMBR-OAHLLOKOSA-N 0 0 309.413 3.476 10 30 DGEERN C=CCN(C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC=C ZINC000337826528 527578890 /nfs/dbraw/zinc/57/88/90/527578890.db2.gz WLCSZIYCJVCDNB-IRXDYDNUSA-N 0 0 324.428 3.332 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1sccc1C#N ZINC000154895870 527582705 /nfs/dbraw/zinc/58/27/05/527582705.db2.gz DKLDCAKSLKORDE-SNVBAGLBSA-N 0 0 316.430 3.371 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(OCC)cc1 ZINC000342012928 527585529 /nfs/dbraw/zinc/58/55/29/527585529.db2.gz JMQCCKHJBNKKQR-UHFFFAOYSA-N 0 0 317.307 3.041 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(F)c1OCC ZINC000175157473 527588020 /nfs/dbraw/zinc/58/80/20/527588020.db2.gz COQNNRKPPNCARL-UHFFFAOYSA-N 0 0 305.271 3.415 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)n([C@H](C)CC)n1 ZINC000349290243 527588691 /nfs/dbraw/zinc/58/86/91/527588691.db2.gz UAPVBEPLTGBCKR-SNVBAGLBSA-N 0 0 303.328 3.353 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cnn(C)c1SC ZINC000358771183 527598468 /nfs/dbraw/zinc/59/84/68/527598468.db2.gz NQHMSYPUWCRFBF-UHFFFAOYSA-N 0 0 307.463 3.351 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1cnc(C)cn1 ZINC000427665553 527636989 /nfs/dbraw/zinc/63/69/89/527636989.db2.gz XKKINTLLJPBWOX-KGLIPLIRSA-N 0 0 305.447 3.168 10 30 DGEERN CC1(C)C[C@H](NC(=O)c2ccc(C#N)c(O)c2)c2ccccc2O1 ZINC000188757781 527739732 /nfs/dbraw/zinc/73/97/32/527739732.db2.gz PFRDEVQGDXCBRS-HNNXBMFYSA-N 0 0 322.364 3.296 10 30 DGEERN CCCCCCCCC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173556238 528120404 /nfs/dbraw/zinc/12/04/04/528120404.db2.gz NXHVORCDWDSYGP-AWEZNQCLSA-N 0 0 322.453 3.018 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1ccc(CC#N)cc1 ZINC000161369539 528603856 /nfs/dbraw/zinc/60/38/56/528603856.db2.gz IURXUEKVBBPRRE-UHFFFAOYSA-N 0 0 314.414 3.306 10 30 DGEERN CCC(CC)[C@@H](CCNC(=O)NCC1CCC(C#N)CC1)OC ZINC000440999097 528815574 /nfs/dbraw/zinc/81/55/74/528815574.db2.gz AZFVJNZZCIAFEX-VMBOVVBDSA-N 0 0 323.481 3.457 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094077155 528857875 /nfs/dbraw/zinc/85/78/75/528857875.db2.gz GBYYNXWXHLLHTA-GOSISDBHSA-N 0 0 316.401 3.310 10 30 DGEERN CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](C)c1cccnc1 ZINC000089810687 528976879 /nfs/dbraw/zinc/97/68/79/528976879.db2.gz YILSTXDORHTBMS-HNNXBMFYSA-N 0 0 323.396 3.136 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1COc2ccc(Cl)cc21 ZINC000489713649 535294807 /nfs/dbraw/zinc/29/48/07/535294807.db2.gz ATSCPDFVMOEJTI-BBRMVZONSA-N 0 0 306.793 3.261 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000182637810 546167355 /nfs/dbraw/zinc/16/73/55/546167355.db2.gz HXAUSLCBKTVHDL-KGLIPLIRSA-N 0 0 303.406 3.058 10 30 DGEERN C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3cncnc3)cn2)CCC1=O ZINC000328696908 546480713 /nfs/dbraw/zinc/48/07/13/546480713.db2.gz DKQGWXRZJALWQU-RYUDHWBXSA-N 0 0 310.357 3.132 10 30 DGEERN CCC1CCC(NC(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000328767255 546481265 /nfs/dbraw/zinc/48/12/65/546481265.db2.gz HNPQZOUMPADKTM-UHFFFAOYSA-N 0 0 316.449 3.369 10 30 DGEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C ZINC000329106018 546483601 /nfs/dbraw/zinc/48/36/01/546483601.db2.gz DZMNCFXBYMMLLC-DSJMHWKBSA-N 0 0 321.421 3.066 10 30 DGEERN C[C@@]12CN(C(=O)NCc3cccc(C#N)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333826923 546512365 /nfs/dbraw/zinc/51/23/65/546512365.db2.gz KTYVLGXEBKXZSA-DFEOGRTESA-N 0 0 309.413 3.136 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000355437021 546681958 /nfs/dbraw/zinc/68/19/58/546681958.db2.gz MDGMHSYHKPYJBO-NDBYEHHHSA-N 0 0 305.340 3.062 10 30 DGEERN C=CCN(CC[C@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000437692461 546826126 /nfs/dbraw/zinc/82/61/26/546826126.db2.gz OPCMNXCFYSQDLF-CVEARBPZSA-N 0 0 301.496 3.268 10 30 DGEERN COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC)c1OC ZINC000005998812 560204205 /nfs/dbraw/zinc/20/42/05/560204205.db2.gz PSHNFUINYKNYTK-MDZDMXLPSA-N 0 0 314.337 3.314 10 30 biogenic,in-vitro DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](C)OCCC=C)cc1 ZINC000730428881 574529205 /nfs/dbraw/zinc/52/92/05/574529205.db2.gz HPSYGPXCXPEYKV-HUUCEWRRSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000730976792 574540747 /nfs/dbraw/zinc/54/07/47/574540747.db2.gz ZRKVAWBEXJIOLW-OALUTQOASA-N 0 0 321.376 3.449 10 30 DGEERN C#CCOc1cccc(NC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000731110905 574543640 /nfs/dbraw/zinc/54/36/40/574543640.db2.gz JINGFGGVTAWCQQ-UHFFFAOYSA-N 0 0 323.327 3.031 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000731111001 574543659 /nfs/dbraw/zinc/54/36/59/574543659.db2.gz MLBWMHNEXKEYJI-ROUUACIJSA-N 0 0 306.365 3.376 10 30 DGEERN C#CCOc1cccc(NC(=O)NCCc2ccsc2)c1 ZINC000731113019 574543734 /nfs/dbraw/zinc/54/37/34/574543734.db2.gz RWOPFFYJPPPABT-UHFFFAOYSA-N 0 0 300.383 3.124 10 30 DGEERN N#C[C@H]1CN(Cc2c(Cl)cccc2Cl)CCN1C1CC1 ZINC000732668452 574578373 /nfs/dbraw/zinc/57/83/73/574578373.db2.gz KVUJQJDJJBNOGX-LBPRGKRZSA-N 0 0 310.228 3.166 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733100155 574597414 /nfs/dbraw/zinc/59/74/14/574597414.db2.gz SXGOMFJMNZOWIY-UHFFFAOYSA-N 0 0 314.776 3.233 10 30 DGEERN C=CCN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000733218673 574608457 /nfs/dbraw/zinc/60/84/57/574608457.db2.gz SCPJRNGNAYQXMT-UHFFFAOYSA-N 0 0 302.349 3.446 10 30 DGEERN C#CCCNC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F ZINC000733247028 574609752 /nfs/dbraw/zinc/60/97/52/574609752.db2.gz HVGSQLCDEKZNGA-UHFFFAOYSA-N 0 0 315.319 3.394 10 30 DGEERN C#CCCNC(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000733355803 574617630 /nfs/dbraw/zinc/61/76/30/574617630.db2.gz DLBUHNWPXRHHMG-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN C#CCCNC(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 ZINC000733621879 574631896 /nfs/dbraw/zinc/63/18/96/574631896.db2.gz OINGFQZKKGATAR-UHFFFAOYSA-N 0 0 316.382 3.223 10 30 DGEERN C#CCCNC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733638764 574633399 /nfs/dbraw/zinc/63/33/99/574633399.db2.gz YXTGZXAHMUTUIT-UHFFFAOYSA-N 0 0 316.748 3.067 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1csc(C)n1)c1ccccn1 ZINC000733691618 574634058 /nfs/dbraw/zinc/63/40/58/574634058.db2.gz ZWYWJTCRVNHMEH-OAHLLOKOSA-N 0 0 300.383 3.087 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000734421656 574661930 /nfs/dbraw/zinc/66/19/30/574661930.db2.gz CQRPVMYYXXKSHU-CQSZACIVSA-N 0 0 323.396 3.130 10 30 DGEERN C=CCN(C(=O)NCCc1c[nH]c2ccc(F)cc12)C(C)C ZINC000735189252 574691211 /nfs/dbraw/zinc/69/12/11/574691211.db2.gz WEAMQFZMTQETKH-UHFFFAOYSA-N 0 0 303.381 3.456 10 30 DGEERN CCc1nc(SCc2cc(Cl)ccc2OCC#N)n[nH]1 ZINC000735230642 574692120 /nfs/dbraw/zinc/69/21/20/574692120.db2.gz NRUQREQRRMVREY-UHFFFAOYSA-N 0 0 308.794 3.215 10 30 DGEERN CC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@H](C)O1 ZINC000735310872 574697052 /nfs/dbraw/zinc/69/70/52/574697052.db2.gz FIJJGRVKHLAUHE-SWLSCSKDSA-N 0 0 308.809 3.242 10 30 DGEERN CCCN(CC(=O)OCC)Cc1cc(Cl)ccc1OCC#N ZINC000735310189 574697156 /nfs/dbraw/zinc/69/71/56/574697156.db2.gz SOSZSABJPKLSLM-UHFFFAOYSA-N 0 0 324.808 3.017 10 30 DGEERN N#CCOc1ccc(Cl)cc1CSCC(=O)NCC1CC1 ZINC000735320087 574697633 /nfs/dbraw/zinc/69/76/33/574697633.db2.gz KOFCNHIRBUPMEK-UHFFFAOYSA-N 0 0 324.833 3.002 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(O)cc1 ZINC000735334328 574698766 /nfs/dbraw/zinc/69/87/66/574698766.db2.gz VYQWDOKLEICZTK-UHFFFAOYSA-N 0 0 317.728 3.305 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)CC2CCOCC2)cc1 ZINC000735397586 574700734 /nfs/dbraw/zinc/70/07/34/574700734.db2.gz INHQYJFMBRLYEF-AWEZNQCLSA-N 0 0 302.370 3.120 10 30 DGEERN C#Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)nc1 ZINC000736040685 574728920 /nfs/dbraw/zinc/72/89/20/574728920.db2.gz FDOALHJCJFHLCM-SNVBAGLBSA-N 0 0 302.736 3.346 10 30 DGEERN C=C(Cl)CNC(=O)/C=C\c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000736241872 574736836 /nfs/dbraw/zinc/73/68/36/574736836.db2.gz FIJMQZOAXNCBHF-FOQNGQEVSA-N 0 0 321.804 3.291 10 30 DGEERN C=C(Cl)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000736242774 574737165 /nfs/dbraw/zinc/73/71/65/574737165.db2.gz QLJAAIPHJOZZLY-UHFFFAOYSA-N 0 0 313.744 3.228 10 30 DGEERN C=CCCCN(C)C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000736725549 574804118 /nfs/dbraw/zinc/80/41/18/574804118.db2.gz VUOBDTYRGQBXQI-UHFFFAOYSA-N 0 0 309.409 3.347 10 30 DGEERN C=CCOc1ccccc1C(=O)OCCn1ncc2ccccc21 ZINC000737362864 574840183 /nfs/dbraw/zinc/84/01/83/574840183.db2.gz SHLGSGLRBHRRHN-UHFFFAOYSA-N 0 0 322.364 3.458 10 30 DGEERN C#CCSCCNC(=O)c1sc2nccc(C)c2c1C ZINC000739821067 574912567 /nfs/dbraw/zinc/91/25/67/574912567.db2.gz CZMOKRYLIGVSLF-UHFFFAOYSA-N 0 0 304.440 3.009 10 30 DGEERN C#CCSCCNC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000739817743 574912578 /nfs/dbraw/zinc/91/25/78/574912578.db2.gz KKCNWGLRSJXFKE-MRXNPFEDSA-N 0 0 319.470 3.450 10 30 DGEERN C#CCSCCNC(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000740071402 574921854 /nfs/dbraw/zinc/92/18/54/574921854.db2.gz KQPFAMLKYUTKPD-NSHDSACASA-N 0 0 312.385 3.034 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000741646255 574965466 /nfs/dbraw/zinc/96/54/66/574965466.db2.gz PJDQDQDSCQOFMH-CYBMUJFWSA-N 0 0 312.344 3.365 10 30 DGEERN O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc2c(c1)COC2 ZINC000742436515 575000168 /nfs/dbraw/zinc/00/01/68/575000168.db2.gz KXGNGGBDNSIQBW-FPYGCLRLSA-N 0 0 317.348 3.194 10 30 DGEERN C#CCCCNC(=O)CCOc1cccc(Cl)c1Cl ZINC000742788894 575019498 /nfs/dbraw/zinc/01/94/98/575019498.db2.gz ALEASKDKCUXWIO-UHFFFAOYSA-N 0 0 300.185 3.292 10 30 DGEERN C#Cc1ccc(C(=O)OCc2cccc(Br)c2)nc1 ZINC000729011795 575207794 /nfs/dbraw/zinc/20/77/94/575207794.db2.gz DBOKEVZNVVAOGA-UHFFFAOYSA-N 0 0 316.154 3.182 10 30 DGEERN C=CCCOC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000729072459 575214191 /nfs/dbraw/zinc/21/41/91/575214191.db2.gz NIEZEQFJKMLABL-UHFFFAOYSA-N 0 0 303.289 3.404 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730195688 575283518 /nfs/dbraw/zinc/28/35/18/575283518.db2.gz ZAPSCJCCINGCNV-UHFFFAOYSA-N 0 0 312.329 3.197 10 30 DGEERN Cc1nn(C)c(C)c1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726445104 576024143 /nfs/dbraw/zinc/02/41/43/576024143.db2.gz MHRVKTGFLWBTQP-UHFFFAOYSA-N 0 0 319.821 3.371 10 30 DGEERN C=CCCC(=O)O[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000726652401 576034755 /nfs/dbraw/zinc/03/47/55/576034755.db2.gz OVZYUMUMGIPPBL-GFCCVEGCSA-N 0 0 305.399 3.023 10 30 DGEERN C#CCCOC(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000727042400 576097136 /nfs/dbraw/zinc/09/71/36/576097136.db2.gz YHSJHZZJEYYANP-UHFFFAOYSA-N 0 0 320.439 3.357 10 30 DGEERN C=CCc1cc(C(=O)OCc2ccoc2)cc(OC)c1OC ZINC000727043342 576097560 /nfs/dbraw/zinc/09/75/60/576097560.db2.gz ZBRZSMCKVDDMNN-UHFFFAOYSA-N 0 0 302.326 3.382 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000727060657 576099493 /nfs/dbraw/zinc/09/94/93/576099493.db2.gz UKXWLVYIWSTVBU-UHFFFAOYSA-N 0 0 305.284 3.387 10 30 DGEERN Cc1ccc(N=NC(C)[C@@H](c2ccccc2)N2CCOCC2)nc1 ZINC000727259837 576116325 /nfs/dbraw/zinc/11/63/25/576116325.db2.gz LBFBAFOLUPYCGJ-IBGZPJMESA-N 0 0 324.428 3.251 10 30 DGEERN COc1ccc(OC)c(C=NOCCOc2ccc(F)cc2)c1 ZINC000727484679 576128557 /nfs/dbraw/zinc/12/85/57/576128557.db2.gz SJBSKKVZXHXYKW-UHFFFAOYSA-N 0 0 319.332 3.272 10 30 DGEERN C=C(C)COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000727878295 576150706 /nfs/dbraw/zinc/15/07/06/576150706.db2.gz IBUQNXYIIILXLO-KRWDZBQOSA-N 0 0 315.413 3.105 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cscn1 ZINC000728301947 576174569 /nfs/dbraw/zinc/17/45/69/576174569.db2.gz ZRVGKHAUFFLGDL-HNNXBMFYSA-N 0 0 316.382 3.162 10 30 DGEERN C#Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cn1 ZINC000728799597 576206030 /nfs/dbraw/zinc/20/60/30/576206030.db2.gz AMAWGEQHQOIFIC-UHFFFAOYSA-N 0 0 305.164 3.300 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1OC ZINC000154181870 620645559 /nfs/dbraw/zinc/64/55/59/620645559.db2.gz VAKUURCHOFQZKI-OAHLLOKOSA-N 0 0 303.358 3.355 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000154603139 620692744 /nfs/dbraw/zinc/69/27/44/620692744.db2.gz CZMOZRAIQVWBQH-CQSZACIVSA-N 0 0 309.312 3.409 10 30 DGEERN N#C[C@H](COC(=O)CC[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000111948763 620771908 /nfs/dbraw/zinc/77/19/08/620771908.db2.gz VSWMFLZUPGAFMK-WBVHZDCISA-N 0 0 319.376 3.400 10 30 DGEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccccc1 ZINC000112148786 620794159 /nfs/dbraw/zinc/79/41/59/620794159.db2.gz NNVJDUGBWDSZJX-WBVHZDCISA-N 0 0 314.429 3.271 10 30 DGEERN C#CCOc1ccc(CNCc2ccn(C3CCCC3)n2)cc1 ZINC000129030100 625391968 /nfs/dbraw/zinc/39/19/68/625391968.db2.gz KFLXNYLMAILJQU-UHFFFAOYSA-N 0 0 309.413 3.300 10 30 DGEERN CCCCCCCCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000151968896 620484879 /nfs/dbraw/zinc/48/48/79/620484879.db2.gz DFNKMDYSKCMXED-UHFFFAOYSA-N 0 0 301.394 3.351 10 30 DGEERN N#CCOc1cc(F)ccc1NCc1nc(C2CCCC2)no1 ZINC000152073014 620490775 /nfs/dbraw/zinc/49/07/75/620490775.db2.gz GPEVIZJYRVOGSG-UHFFFAOYSA-N 0 0 316.336 3.381 10 30 DGEERN C#C[C@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000152535581 620511987 /nfs/dbraw/zinc/51/19/87/620511987.db2.gz RALOTBZKPXRZND-HNNXBMFYSA-N 0 0 301.386 3.147 10 30 DGEERN C#C[C@H](OC(=O)CCc1cc(Br)cs1)C1CC1 ZINC000152606719 620514543 /nfs/dbraw/zinc/51/45/43/620514543.db2.gz IYVAPVILWLWWPS-LBPRGKRZSA-N 0 0 313.216 3.398 10 30 DGEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000153116235 620534324 /nfs/dbraw/zinc/53/43/24/620534324.db2.gz VALIPQMOLFIOJW-UHFFFAOYSA-N 0 0 315.797 3.046 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000153426315 620562747 /nfs/dbraw/zinc/56/27/47/620562747.db2.gz XWBISVMGZNDKJT-BXKDBHETSA-N 0 0 309.749 3.083 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@H](CC)c2nccs2)cc1 ZINC000153955388 620626305 /nfs/dbraw/zinc/62/63/05/620626305.db2.gz RVJKLEXENXZRBH-CQSZACIVSA-N 0 0 315.398 3.428 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccccn1 ZINC000113660900 620935050 /nfs/dbraw/zinc/93/50/50/620935050.db2.gz FJAWFWYIDWFMFG-DYVFJYSZSA-N 0 0 313.328 3.296 10 30 DGEERN O=C(C[C@@H]1OCCc2ccccc21)OCC#Cc1ccccc1 ZINC000115908079 621157842 /nfs/dbraw/zinc/15/78/42/621157842.db2.gz DLSYAJSUSZTKLC-IBGZPJMESA-N 0 0 306.361 3.285 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@H](C)Oc2ccc(OC)cc2)c1 ZINC000103031587 621223930 /nfs/dbraw/zinc/22/39/30/621223930.db2.gz OIDIZMSDAXZSJS-AWEZNQCLSA-N 0 0 309.365 3.107 10 30 DGEERN C=C(C)COCCNC(=O)c1sccc1SC(F)F ZINC000136210515 621554052 /nfs/dbraw/zinc/55/40/52/621554052.db2.gz LRYAHLJKCOPOEM-UHFFFAOYSA-N 0 0 307.387 3.385 10 30 DGEERN C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000120557765 621916632 /nfs/dbraw/zinc/91/66/32/621916632.db2.gz HINQHDUUCPYVNB-YJBOKZPZSA-N 0 0 319.360 3.113 10 30 DGEERN C#CCN(C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)C1CCCC1 ZINC000121674918 622171226 /nfs/dbraw/zinc/17/12/26/622171226.db2.gz RITLOMYFIKRUHK-CZUORRHYSA-N 0 0 318.367 3.408 10 30 DGEERN CCCC[C@H](CC)COC(=O)CSc1cnc(C#N)cn1 ZINC000122205174 622259850 /nfs/dbraw/zinc/25/98/50/622259850.db2.gz VAAGUFFORIJMCA-LBPRGKRZSA-N 0 0 307.419 3.200 10 30 DGEERN C=C[C@H](CC(=O)OCC(=O)NC1CCCCC1)c1ccccc1 ZINC000122554591 622347566 /nfs/dbraw/zinc/34/75/66/622347566.db2.gz JHYLMOSVRGKCPZ-OAHLLOKOSA-N 0 0 315.413 3.338 10 30 DGEERN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(F)c(OC)c2)cc1 ZINC000122554930 622347675 /nfs/dbraw/zinc/34/76/75/622347675.db2.gz JEWUDMKREXFADK-BJMVGYQFSA-N 0 0 313.328 3.090 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1cc(F)cc(F)c1 ZINC000122604309 622364502 /nfs/dbraw/zinc/36/45/02/622364502.db2.gz HGECJNYMZDSPMT-JTQLQIEISA-N 0 0 303.264 3.209 10 30 DGEERN C#CCOc1cccc(COC(=O)CCCc2ccccn2)c1 ZINC000124471155 623102029 /nfs/dbraw/zinc/10/20/29/623102029.db2.gz JMNMSHCYFSSHIG-UHFFFAOYSA-N 0 0 309.365 3.160 10 30 DGEERN C=CCCCN(C)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000127401815 624388655 /nfs/dbraw/zinc/38/86/55/624388655.db2.gz DQMXJOPVKWBDIQ-AWEZNQCLSA-N 0 0 310.438 3.058 10 30 DGEERN C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)C(C)(C)C#N ZINC000131186940 625961187 /nfs/dbraw/zinc/96/11/87/625961187.db2.gz IWMSWRHAICSKSX-TYNCELHUSA-N 0 0 314.385 3.376 10 30 DGEERN COCCOCc1cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc1F ZINC000131467685 626640672 /nfs/dbraw/zinc/64/06/72/626640672.db2.gz IGUAHVHRNFRBAX-LBPRGKRZSA-N 0 0 323.364 3.084 10 30 DGEERN C#CC[C@@H](OC(=O)c1cnn(CCCC)c1C)c1ccccn1 ZINC000131830586 626682636 /nfs/dbraw/zinc/68/26/36/626682636.db2.gz CRISGTPZNRSBDV-QGZVFWFLSA-N 0 0 311.385 3.308 10 30 DGEERN Cc1cc(S(=O)(=O)Oc2ccc(C#N)cc2F)c(C)s1 ZINC000134554881 626881460 /nfs/dbraw/zinc/88/14/60/626881460.db2.gz KBLCAFKFQZWQMR-UHFFFAOYSA-N 0 0 311.359 3.143 10 30 DGEERN C=C(COc1cc(Br)cc(F)c1F)C(=O)OCC ZINC000219735316 627155189 /nfs/dbraw/zinc/15/51/89/627155189.db2.gz LUEYEHNWCUVVBL-UHFFFAOYSA-N 0 0 321.117 3.225 10 30 DGEERN C=CCN(CC(=O)OCC)Cc1nc(-c2ccsc2)oc1C ZINC000102655724 630192881 /nfs/dbraw/zinc/19/28/81/630192881.db2.gz ACNSCPOFMTWYQY-UHFFFAOYSA-N 0 0 320.414 3.263 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)O[C@@H](C#N)C(C)C)cc2)n1 ZINC000121595154 631204631 /nfs/dbraw/zinc/20/46/31/631204631.db2.gz QZWWZDDHHJGGGC-KRWDZBQOSA-N 0 0 311.385 3.253 10 30 DGEERN C#CCOc1cccc(NC(=O)NCc2csc(CC)n2)c1 ZINC000108519009 631903531 /nfs/dbraw/zinc/90/35/31/631903531.db2.gz MZTKOPKUDILPPR-UHFFFAOYSA-N 0 0 315.398 3.039 10 30 DGEERN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C#N)C3CC3)c2C)cc1 ZINC000108833398 631946498 /nfs/dbraw/zinc/94/64/98/631946498.db2.gz VUGUGJDDSUDPCU-GOSISDBHSA-N 0 0 323.396 3.135 10 30 DGEERN C=CC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 ZINC000110366127 632548056 /nfs/dbraw/zinc/54/80/56/632548056.db2.gz VZOVUTTXEFDKNR-UHFFFAOYSA-N 0 0 309.369 3.289 10 30 DGEERN N#CCOc1ccccc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110450753 632568739 /nfs/dbraw/zinc/56/87/39/632568739.db2.gz SMLUSLZRDPZGPA-NVXWUHKLSA-N 0 0 306.365 3.122 10 30 DGEERN CC(C)(CC#N)COC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000184773597 660185936 /nfs/dbraw/zinc/18/59/36/660185936.db2.gz BYTWPELEQBMTSE-UHFFFAOYSA-N 0 0 318.348 3.049 10 30 DGEERN C#CCCCCCOC(=O)c1ncccc1OCC(F)(F)F ZINC000185325595 660215666 /nfs/dbraw/zinc/21/56/66/660215666.db2.gz YOGHINLPKQMASY-UHFFFAOYSA-N 0 0 315.291 3.373 10 30 DGEERN C#CCC(C)(C)COC(=O)Cc1csc(-c2cccnc2)n1 ZINC000185368752 660219538 /nfs/dbraw/zinc/21/95/38/660219538.db2.gz LKLAXOOIENDUNZ-UHFFFAOYSA-N 0 0 314.410 3.340 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OCC1(C)CCOCC1 ZINC000185599809 660232200 /nfs/dbraw/zinc/23/22/00/660232200.db2.gz LXVLCDCMCJIUIC-UHFFFAOYSA-N 0 0 320.385 3.234 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000185896816 660252675 /nfs/dbraw/zinc/25/26/75/660252675.db2.gz VSNYADFXYPYGAC-CYBMUJFWSA-N 0 0 322.364 3.162 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@@H]1CC=CCC1 ZINC000073720131 660534097 /nfs/dbraw/zinc/53/40/97/660534097.db2.gz QPYGHMUKNQUYPA-MRXNPFEDSA-N 0 0 315.417 3.246 10 30 DGEERN C#C[C@@H](CCC)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000700595534 660630187 /nfs/dbraw/zinc/63/01/87/660630187.db2.gz KCUAFTLPEKGPEU-JTQLQIEISA-N 0 0 300.185 3.290 10 30 DGEERN C#C[C@@H](CC)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000700625915 660630939 /nfs/dbraw/zinc/63/09/39/660630939.db2.gz ANDCTUKOSASCBM-FZMZJTMJSA-N 0 0 308.219 3.471 10 30 DGEERN N#C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)C1CC1 ZINC000701244659 660662318 /nfs/dbraw/zinc/66/23/18/660662318.db2.gz SPNIFIYTJKGFRR-SNVBAGLBSA-N 0 0 300.305 3.330 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCOc2ccccc21 ZINC000187633652 655529921 /nfs/dbraw/zinc/52/99/21/655529921.db2.gz ZNCCLTNKOKPEOH-RDTXWAMCSA-N 0 0 304.386 3.325 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)COc1c(C)cccc1C ZINC000187535101 655550832 /nfs/dbraw/zinc/55/08/32/655550832.db2.gz AMQIVTXGEVHQOD-GOSISDBHSA-N 0 0 306.402 3.454 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3ccc(F)c(F)c3)n2c1 ZINC000254990563 655555441 /nfs/dbraw/zinc/55/54/41/655555441.db2.gz KQOUMNSEYMKJGH-HYXAFXHYSA-N 0 0 309.275 3.380 10 30 DGEERN C[C@@H](ON=Cc1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC000255019857 655563415 /nfs/dbraw/zinc/56/34/15/655563415.db2.gz HBFKIOOYRKVRNY-SECBINFHSA-N 0 0 305.246 3.208 10 30 DGEERN O=C(CON=Cc1ccccc1F)Nc1cc(F)cc(F)c1 ZINC000255042131 655571288 /nfs/dbraw/zinc/57/12/88/655571288.db2.gz HMBCOXHVPRAZHX-UHFFFAOYSA-N 0 0 308.259 3.093 10 30 DGEERN N#Cc1ccc(CN2CCS[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000721432889 655588223 /nfs/dbraw/zinc/58/82/23/655588223.db2.gz BLAKAHXVRHRTER-GFCCVEGCSA-N 0 0 304.312 3.177 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000188454347 655591303 /nfs/dbraw/zinc/59/13/03/655591303.db2.gz IJMYQJPNYLPKPK-QWQRMKEZSA-N 0 0 324.465 3.398 10 30 DGEERN C[C@@H](NC(=O)CON=Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000255200439 655644213 /nfs/dbraw/zinc/64/42/13/655644213.db2.gz LAPIQUBLZJTZKL-GFCCVEGCSA-N 0 0 318.323 3.193 10 30 DGEERN C=C[C@H](C)OC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000187576492 655663197 /nfs/dbraw/zinc/66/31/97/655663197.db2.gz QAUBKDCPKRSSJY-KSSFIOAISA-N 0 0 301.386 3.047 10 30 DGEERN CC1(C)CCC/C(=C/c2cnc(N3CCOCC3)s2)C1=O ZINC000255363148 655708732 /nfs/dbraw/zinc/70/87/32/655708732.db2.gz HGXWHFZNPNCHPZ-BENRWUELSA-N 0 0 306.431 3.142 10 30 DGEERN C/C(=C\c1ccc(F)cc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000255383184 655723470 /nfs/dbraw/zinc/72/34/70/655723470.db2.gz MBLFRGRFJLMLJJ-WYMLVPIESA-N 0 0 324.355 3.296 10 30 DGEERN C=C1CCC(CNC(=O)c2ncsc2Br)CC1 ZINC000724461953 655767273 /nfs/dbraw/zinc/76/72/73/655767273.db2.gz FVGSOGZDEFEZLS-UHFFFAOYSA-N 0 0 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CC(C)(C#N)COC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000180100424 656090320 /nfs/dbraw/zinc/09/03/20/656090320.db2.gz BDNWWBYDZAXDMY-UHFFFAOYSA-N 0 0 323.339 3.106 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)NCc1ccn(C2CCCC2)n1 ZINC000178362024 656117482 /nfs/dbraw/zinc/11/74/82/656117482.db2.gz HZFRZOYSTCZGAX-MDZDMXLPSA-N 0 0 320.396 3.199 10 30 DGEERN CCCN(CC)c1ccc(C(=O)OCC(C)(C)CC#N)cn1 ZINC000184694754 656120509 /nfs/dbraw/zinc/12/05/09/656120509.db2.gz CNSALFJQIMYRQM-UHFFFAOYSA-N 0 0 303.406 3.415 10 30 DGEERN C#C[C@H](C)OC(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC000162359056 656135549 /nfs/dbraw/zinc/13/55/49/656135549.db2.gz DPNLGWLPCSEHME-INIZCTEOSA-N 0 0 324.376 3.252 10 30 DGEERN C[C@@H](Cc1ccc(Br)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000162410188 656143069 /nfs/dbraw/zinc/14/30/69/656143069.db2.gz KUKDMWOZZYQOSW-IINYFYTJSA-N 0 0 322.202 3.473 10 30 DGEERN CC(C)(C)c1noc(CCC(=O)OCC(C)(C)CCC#N)n1 ZINC000195052703 656208361 /nfs/dbraw/zinc/20/83/61/656208361.db2.gz IBDKJXXHULWISH-UHFFFAOYSA-N 0 0 307.394 3.173 10 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313.195 3.366 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(OC)c(OC)c1 ZINC000191133050 657370287 /nfs/dbraw/zinc/37/02/87/657370287.db2.gz GKASNWQGICFKHH-QGZVFWFLSA-N 0 0 308.374 3.089 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)CCc1cccc2c1OCO2 ZINC000191121874 657370351 /nfs/dbraw/zinc/37/03/51/657370351.db2.gz GPCBZMAGEPEZCU-SFHVURJKSA-N 0 0 320.385 3.120 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)Cn1c(C)nc2ccccc21 ZINC000191104669 657370379 /nfs/dbraw/zinc/37/03/79/657370379.db2.gz JXBUZLLZQXPXCI-GOSISDBHSA-N 0 0 316.401 3.117 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)Cn1ccc2ccccc21 ZINC000191111327 657370896 /nfs/dbraw/zinc/37/08/96/657370896.db2.gz HJUSEVIYAWWJME-GOSISDBHSA-N 0 0 301.386 3.413 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cnn(-c2ccccc2)c1 ZINC000191154801 657371126 /nfs/dbraw/zinc/37/11/26/657371126.db2.gz VHADBDKBZJYHNI-GOSISDBHSA-N 0 0 314.385 3.258 10 30 DGEERN C#C[C@H](OC(=O)CCCOc1ccc(C(C)=O)cc1)C1CC1 ZINC000183096503 657377576 /nfs/dbraw/zinc/37/75/76/657377576.db2.gz 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/nfs/dbraw/zinc/96/12/33/658961233.db2.gz BQOUCOHSOSZKED-CYBMUJFWSA-N 0 0 304.386 3.392 10 30 DGEERN C#CCOCCC(=O)O[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000166885740 659060901 /nfs/dbraw/zinc/06/09/01/659060901.db2.gz APUCGPFQXOEWFR-CHWSQXEVSA-N 0 0 317.410 3.371 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)/C=C/c1ccccc1C#N ZINC000058716593 659101104 /nfs/dbraw/zinc/10/11/04/659101104.db2.gz KTTGLHBYICYYLI-RMKNXTFCSA-N 0 0 304.349 3.169 10 30 DGEERN CC(C)(C)c1cc(C(=O)N[C@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000228115260 659174907 /nfs/dbraw/zinc/17/49/07/659174907.db2.gz ZVGGGLKISSRVOY-JQWIXIFHSA-N 0 0 305.809 3.455 10 30 DGEERN CC/C=C/COC(=O)CCCOc1ccc(C#N)cc1OC ZINC000170724168 659229139 /nfs/dbraw/zinc/22/91/39/659229139.db2.gz SYECVXXSHDNLBS-SNAWJCMRSA-N 0 0 303.358 3.235 10 30 DGEERN CC(C)(C#N)CCOC(=O)c1cc(N)ccc1Br ZINC000087594291 659247865 /nfs/dbraw/zinc/24/78/65/659247865.db2.gz GSTACUIQUFZZIH-UHFFFAOYSA-N 0 0 311.179 3.128 10 30 DGEERN Cc1ccc(N(CCC#N)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000171029019 659254707 /nfs/dbraw/zinc/25/47/07/659254707.db2.gz PVQJTHAQIUABTQ-UHFFFAOYSA-N 0 0 324.340 3.167 10 30 DGEERN C=C(Br)COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000172236195 659324865 /nfs/dbraw/zinc/32/48/65/659324865.db2.gz OMKLPUVLNZFIPV-NSHDSACASA-N 0 0 311.175 3.395 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(Cl)c1 ZINC000172350475 659331259 /nfs/dbraw/zinc/33/12/59/659331259.db2.gz RLJPRXIRQZCXMY-UHFFFAOYSA-N 0 0 309.760 3.222 10 30 DGEERN CCOc1nn(CN(C)Cc2cccc(C#N)c2)c(=S)s1 ZINC000063123959 659366428 /nfs/dbraw/zinc/36/64/28/659366428.db2.gz YTSQGHSPXXTEOW-UHFFFAOYSA-N 0 0 320.443 3.034 10 30 DGEERN C#CCCCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000174112183 659414504 /nfs/dbraw/zinc/41/45/04/659414504.db2.gz HXQAWQUZURBFEL-NSHDSACASA-N 0 0 309.207 3.223 10 30 DGEERN C#CCOc1cccc(COC(=O)CC[C@@H]2CC[C@H](C)O2)c1 ZINC000174217659 659420434 /nfs/dbraw/zinc/42/04/34/659420434.db2.gz PEDGJKBCHXZARE-HOCLYGCPSA-N 0 0 302.370 3.090 10 30 DGEERN N#CCC1(COC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000174751691 659627418 /nfs/dbraw/zinc/62/74/18/659627418.db2.gz MJDMIJCDQUXKPX-UHFFFAOYSA-N 0 0 315.760 3.376 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000113695604 659670046 /nfs/dbraw/zinc/67/00/46/659670046.db2.gz ZCXVIBMPHRJSBM-UHFFFAOYSA-N 0 0 301.390 3.370 10 30 DGEERN C=C(C)CCOC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC000174793668 659673921 /nfs/dbraw/zinc/67/39/21/659673921.db2.gz QCMPEGPNYKETOS-UHFFFAOYSA-N 0 0 301.386 3.392 10 30 DGEERN C=C(C)CCOC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000174796155 659677172 /nfs/dbraw/zinc/67/71/72/659677172.db2.gz IAMFESKHEMXLRU-OAHLLOKOSA-N 0 0 304.386 3.485 10 30 DGEERN C=C(C)CCOC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000174795803 659677393 /nfs/dbraw/zinc/67/73/93/659677393.db2.gz AANNWARBZGKYBM-UHFFFAOYSA-N 0 0 309.793 3.359 10 30 DGEERN C#CCN(CC#C)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000175705173 659927677 /nfs/dbraw/zinc/92/76/77/659927677.db2.gz SULYQIHOGAVLTH-QGZVFWFLSA-N 0 0 318.420 3.423 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180469240 659963601 /nfs/dbraw/zinc/96/36/01/659963601.db2.gz MTJKSJWZWIRTMA-UHFFFAOYSA-N 0 0 317.344 3.473 10 30 DGEERN CCCCCCCOC(=O)c1cnc2c(C)cccn2c1=O ZINC000180638260 659967352 /nfs/dbraw/zinc/96/73/52/659967352.db2.gz QSXHDZCSLAKXBH-UHFFFAOYSA-N 0 0 302.374 3.130 10 30 DGEERN C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc2cnccc21 ZINC000180935289 659975754 /nfs/dbraw/zinc/97/57/54/659975754.db2.gz OKBVGIFLGPJBCA-LJQANCHMSA-N 0 0 313.360 3.435 10 30 DGEERN C=C[C@@H](CC)OC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000181230965 659987823 /nfs/dbraw/zinc/98/78/23/659987823.db2.gz ZZXHYGVMDQTUTO-SWLSCSKDSA-N 0 0 311.328 3.040 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1sccc1COC ZINC000181712161 660015953 /nfs/dbraw/zinc/01/59/53/660015953.db2.gz LFZLKLCUCVPNCS-UHFFFAOYSA-N 0 0 302.351 3.126 10 30 DGEERN COc1ccc(O)cc1C(=O)C=Cc1c[nH]nc1C(C)(C)C ZINC000182287467 660041032 /nfs/dbraw/zinc/04/10/32/660041032.db2.gz CCSHTZYUCMNUAG-FNORWQNLSA-N 0 0 300.358 3.318 10 30 DGEERN COCCOc1ccccc1C(=O)OCC1(C#N)CCCCC1 ZINC000183684154 660130408 /nfs/dbraw/zinc/13/04/08/660130408.db2.gz PFLYURIAIRPGHI-UHFFFAOYSA-N 0 0 317.385 3.343 10 30 DGEERN N#CC1(COC(=O)c2cccc(OCC(F)F)n2)CCCCC1 ZINC000183701458 660131468 /nfs/dbraw/zinc/13/14/68/660131468.db2.gz VSYKBBKPKLGMGU-UHFFFAOYSA-N 0 0 324.327 3.356 10 30 DGEERN COc1ccc(CC(=O)OCC2(C#N)CCCCC2)cc1F ZINC000183701709 660131578 /nfs/dbraw/zinc/13/15/78/660131578.db2.gz CEWBUJCXPZXUFZ-UHFFFAOYSA-N 0 0 305.349 3.394 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)OCC2(C#N)CCC2)c1 ZINC000183887787 660145740 /nfs/dbraw/zinc/14/57/40/660145740.db2.gz OJSJBBCUPNDQDP-UHFFFAOYSA-N 0 0 315.369 3.493 10 30 DGEERN C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1C ZINC000183948964 660148840 /nfs/dbraw/zinc/14/88/40/660148840.db2.gz YHLUXIDXTWWQGX-KRWDZBQOSA-N 0 0 321.336 3.103 10 30 DGEERN C=C[C@H](C)OC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000187512065 661735224 /nfs/dbraw/zinc/73/52/24/661735224.db2.gz WLBOKBGFZJKTAF-NSHDSACASA-N 0 0 319.382 3.462 10 30 DGEERN CC(C)(C)SCCCC(=O)OCCNc1ncccc1C#N ZINC000155352865 661845718 /nfs/dbraw/zinc/84/57/18/661845718.db2.gz DJJAWKHIRRVIFF-UHFFFAOYSA-N 0 0 321.446 3.220 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](CC(=O)OC)c2ccccc2)c1 ZINC000043984907 661852766 /nfs/dbraw/zinc/85/27/66/661852766.db2.gz XBGQIXQKTOEKCO-QGZVFWFLSA-N 0 0 322.364 3.094 10 30 DGEERN C#CCN(CC(=O)c1[nH]c(C)c(C(C)=O)c1CC)C1CCCC1 ZINC000155852963 661853333 /nfs/dbraw/zinc/85/33/33/661853333.db2.gz XJTMLJIPWJYBET-UHFFFAOYSA-N 0 0 314.429 3.149 10 30 DGEERN C#CCN(Cc1nc(-c2ccc(OC)cc2)no1)C1CCCC1 ZINC000155838126 661853592 /nfs/dbraw/zinc/85/35/92/661853592.db2.gz OGVWNYIXEPMNHM-UHFFFAOYSA-N 0 0 311.385 3.123 10 30 DGEERN COc1cccc(C#CCOC(=O)c2cccc(OC)c2F)c1 ZINC000156825677 661864830 /nfs/dbraw/zinc/86/48/30/661864830.db2.gz YHXHZNTZADVJJB-UHFFFAOYSA-N 0 0 314.312 3.051 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000159062235 661882290 /nfs/dbraw/zinc/88/22/90/661882290.db2.gz SEXRXUQICDJTAD-UHFFFAOYSA-N 0 0 318.332 3.065 10 30 DGEERN COc1ccc(OC)c(COC(=O)c2ccc(C#N)cc2C)c1 ZINC000159055788 661882389 /nfs/dbraw/zinc/88/23/89/661882389.db2.gz MIYUVOIUASNWGG-UHFFFAOYSA-N 0 0 311.337 3.241 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000159136501 661883068 /nfs/dbraw/zinc/88/30/68/661883068.db2.gz FJLPGELBKMTKLW-UHFFFAOYSA-N 0 0 319.320 3.274 10 30 DGEERN CCc1c(C(=O)O[C@H](CC)CC#N)cnn1Cc1ccccc1 ZINC000187902188 661907582 /nfs/dbraw/zinc/90/75/82/661907582.db2.gz ZDNCBKRMPIYLPO-OAHLLOKOSA-N 0 0 311.385 3.343 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCCOc1cccc(C(C)=O)c1 ZINC000187927025 661908300 /nfs/dbraw/zinc/90/83/00/661908300.db2.gz ONADPTBZISHZRL-OAHLLOKOSA-N 0 0 303.358 3.284 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccccc1COC1CCOCC1 ZINC000188006909 661911143 /nfs/dbraw/zinc/91/11/43/661911143.db2.gz DMRXAOQWPFMGRH-OAHLLOKOSA-N 0 0 317.385 3.231 10 30 DGEERN C#CCN(CC#C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000076185334 661971621 /nfs/dbraw/zinc/97/16/21/661971621.db2.gz LKGDRRLWCJSEMQ-UHFFFAOYSA-N 0 0 310.422 3.099 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000190131113 662020739 /nfs/dbraw/zinc/02/07/39/662020739.db2.gz SBGIUNKFNDSUIG-GOSISDBHSA-N 0 0 321.376 3.261 10 30 DGEERN COC(=O)COc1ccc(NCC#Cc2ccccc2)c(C)c1 ZINC000190352328 662029078 /nfs/dbraw/zinc/02/90/78/662029078.db2.gz UDRFLPFHVQCTDP-UHFFFAOYSA-N 0 0 309.365 3.010 10 30 DGEERN CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCC2CCCC2)C1 ZINC000190487081 662033945 /nfs/dbraw/zinc/03/39/45/662033945.db2.gz KYGASUIYXXZESN-UHFFFAOYSA-N 0 0 322.405 3.013 10 30 DGEERN C#C[C@@H](OC(=O)Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000190851433 662047254 /nfs/dbraw/zinc/04/72/54/662047254.db2.gz XPVCFWSHAFBXTK-CQSZACIVSA-N 0 0 312.287 3.125 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(N(C)C)cc1F ZINC000191090973 662053946 /nfs/dbraw/zinc/05/39/46/662053946.db2.gz BBPZMDGUDBYQIX-QGZVFWFLSA-N 0 0 309.381 3.277 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000191093161 662054047 /nfs/dbraw/zinc/05/40/47/662054047.db2.gz DMDOMPCLLHWPPJ-MRXNPFEDSA-N 0 0 307.346 3.289 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)Cc1cc(F)ccc1OC ZINC000191121933 662054657 /nfs/dbraw/zinc/05/46/57/662054657.db2.gz MFBOUFQILCXWPV-QGZVFWFLSA-N 0 0 310.365 3.149 10 30 DGEERN C=C(Cn1c(=O)sc(CC)c1-c1ccccc1)C(=O)OCC ZINC000191162183 662055653 /nfs/dbraw/zinc/05/56/53/662055653.db2.gz HRUBXUVGYQQLBI-UHFFFAOYSA-N 0 0 317.410 3.259 10 30 DGEERN C=CCCC(=O)O[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000191594406 662073702 /nfs/dbraw/zinc/07/37/02/662073702.db2.gz FJOFRXRUUWSERU-HNNXBMFYSA-N 0 0 302.349 3.176 10 30 DGEERN C=CC[C@]1(C(=O)N(C)C2CCC2)CCCN1C(=O)OC(C)(C)C ZINC000191909565 662083344 /nfs/dbraw/zinc/08/33/44/662083344.db2.gz SGGPFFBOGNGCTQ-GOSISDBHSA-N 0 0 322.449 3.343 10 30 DGEERN N#CCc1cccc(OS(=O)(=O)c2cccc3ncccc32)c1 ZINC000192148393 662089168 /nfs/dbraw/zinc/08/91/68/662089168.db2.gz MQYGUTRMMGBJRN-UHFFFAOYSA-N 0 0 324.361 3.069 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)CCOCC(F)(F)C(F)(F)F ZINC000192285114 662094394 /nfs/dbraw/zinc/09/43/94/662094394.db2.gz BROSIVZVJTVXLO-QMMMGPOBSA-N 0 0 317.254 3.072 10 30 DGEERN N#C[C@H](COC(=O)CSc1ccncc1)Cc1ccccc1 ZINC000079220756 662104644 /nfs/dbraw/zinc/10/46/44/662104644.db2.gz QZGNZNXQDKJYIA-OAHLLOKOSA-N 0 0 312.394 3.099 10 30 DGEERN CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CC2CCCCC2)C1 ZINC000192973668 662118779 /nfs/dbraw/zinc/11/87/79/662118779.db2.gz REBSXJNDKBCBIM-UHFFFAOYSA-N 0 0 322.405 3.013 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)CCn2c(C)csc2=O)CC1 ZINC000080405019 662140403 /nfs/dbraw/zinc/14/04/03/662140403.db2.gz LQGZKPHRCYUGHZ-OAHLLOKOSA-N 0 0 321.442 3.454 10 30 DGEERN CCCCOc1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1OC ZINC000080411473 662140783 /nfs/dbraw/zinc/14/07/83/662140783.db2.gz NAVIEEQFWWWSCZ-INIZCTEOSA-N 0 0 303.358 3.333 10 30 DGEERN N#CCOc1ccccc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000194122129 662157954 /nfs/dbraw/zinc/15/79/54/662157954.db2.gz PRDUXQZBSDYCDZ-UHFFFAOYSA-N 0 0 310.397 3.143 10 30 DGEERN C=C(C)COC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000194246963 662161467 /nfs/dbraw/zinc/16/14/67/662161467.db2.gz FEMHOTWQIQFIEZ-UHFFFAOYSA-N 0 0 323.805 3.132 10 30 DGEERN COC(=O)c1ccc(/C=C2/COc3c(OC)cccc3C2=O)cc1 ZINC000194578901 662169080 /nfs/dbraw/zinc/16/90/80/662169080.db2.gz YOXWYXAMSCZRKN-UVTDQMKNSA-N 0 0 324.332 3.141 10 30 DGEERN C[C@@H]1CN(C(=O)C#Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000081836614 662173696 /nfs/dbraw/zinc/17/36/96/662173696.db2.gz HSHBOIJPEOVSOJ-DNVCBOLYSA-N 0 0 323.367 3.166 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000194963334 662176317 /nfs/dbraw/zinc/17/63/17/662176317.db2.gz UCGBFPVLJQOQMW-NSHDSACASA-N 0 0 301.390 3.108 10 30 DGEERN C=CCc1ccc(OCC(=O)OC2(C3CC3)CC2)c(OC)c1 ZINC000083770787 662196360 /nfs/dbraw/zinc/19/63/60/662196360.db2.gz JNSUHZOUIFWQGZ-UHFFFAOYSA-N 0 0 302.370 3.288 10 30 DGEERN CC[C@@H](C#N)OC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000084713425 662203181 /nfs/dbraw/zinc/20/31/81/662203181.db2.gz SNOBIUGRLAFQHI-NSHDSACASA-N 0 0 303.749 3.293 10 30 DGEERN Cc1ccc([C@@H](C)OC(=O)c2cc(C#N)cn2C)cc1[N+](=O)[O-] ZINC000084809481 662203862 /nfs/dbraw/zinc/20/38/62/662203862.db2.gz SMEYSPCRMGHPEB-LLVKDONJSA-N 0 0 313.313 3.031 10 30 DGEERN CCN(CCC#N)C(=O)CNc1ccc(OC(C)C)c(Cl)c1 ZINC000088523869 662232018 /nfs/dbraw/zinc/23/20/18/662232018.db2.gz CLVJMFNPWZDHCG-UHFFFAOYSA-N 0 0 323.824 3.301 10 30 DGEERN C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)C(=O)N2CCCC2)CC(C)(C)C1 ZINC000245402626 662232350 /nfs/dbraw/zinc/23/23/50/662232350.db2.gz IUHBRGKCZZRHBH-ILXRZTDVSA-N 0 0 304.434 3.170 10 30 DGEERN N#C[C@@H](COC(=O)[C@H]1CC1(Cl)Cl)Cc1cccs1 ZINC000089302954 662241406 /nfs/dbraw/zinc/24/14/06/662241406.db2.gz NADVYRPTOCPGPK-WCBMZHEXSA-N 0 0 304.198 3.167 10 30 DGEERN N#C[C@@H](COC(=O)CSc1ccncc1)Cc1cccs1 ZINC000089300192 662241516 /nfs/dbraw/zinc/24/15/16/662241516.db2.gz AZDYTGKDOXIUKX-LBPRGKRZSA-N 0 0 318.423 3.161 10 30 DGEERN C=CCC[C@@H](C)OC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000089319079 662241919 /nfs/dbraw/zinc/24/19/19/662241919.db2.gz GTOUIYHYLVLWKT-GFCCVEGCSA-N 0 0 302.326 3.070 10 30 DGEERN C=CCC[C@H](C)OC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000089321104 662242259 /nfs/dbraw/zinc/24/22/59/662242259.db2.gz LBIQQRMPXBDDLX-YOEHRIQHSA-N 0 0 303.402 3.460 10 30 DGEERN N#CC(C(=O)[C@@H]1C[C@H]1C1CC1)c1nc(-c2ccncc2)cs1 ZINC000246105114 662247430 /nfs/dbraw/zinc/24/74/30/662247430.db2.gz JBOKQAUZDNILJQ-BFHYXJOUSA-N 0 0 309.394 3.427 10 30 DGEERN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246519682 662263358 /nfs/dbraw/zinc/26/33/58/662263358.db2.gz HQZWIWOBFPEJTR-BBWFWOEESA-N 0 0 316.445 3.361 10 30 DGEERN CO[C@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 ZINC000300595030 1176649036 /nfs/dbraw/zinc/64/90/36/1176649036.db2.gz VUIZGOBDFGIZIV-UWVGGRQHSA-N 0 0 313.170 3.439 10 30 DGEERN C[C@H]1CCC[C@@]1(O)CNc1cc(Br)ccc1C#N ZINC000328078949 1176751895 /nfs/dbraw/zinc/75/18/95/1176751895.db2.gz GGJHYDNFDGKPTO-IINYFYTJSA-N 0 0 309.207 3.284 10 30 DGEERN N#Cc1ccc(NCCOCC(F)F)c(F)c1Br ZINC000236140386 1176829653 /nfs/dbraw/zinc/82/96/53/1176829653.db2.gz GWHCSVPDXMJFFH-UHFFFAOYSA-N 0 0 323.112 3.153 10 30 DGEERN N#Cc1ccc(NCCCn2cccn2)cc1Br ZINC000228194768 1177037473 /nfs/dbraw/zinc/03/74/73/1177037473.db2.gz SJJVALPGSDYKJC-UHFFFAOYSA-N 0 0 305.179 3.019 10 30 DGEERN O=C(Nc1ccc(Cl)cc1F)c1cccc(C#CCO)c1 ZINC000049148534 1194513639 /nfs/dbraw/zinc/51/36/39/1194513639.db2.gz MWZAUZPODQMLEW-UHFFFAOYSA-N 0 0 303.720 3.075 10 30 DGEERN C=C(C)COc1cccc(NC(=O)Cn2nnc3ccccc32)c1 ZINC000066463537 1195534321 /nfs/dbraw/zinc/53/43/21/1195534321.db2.gz REXHRHCGFDUHCT-UHFFFAOYSA-N 0 0 322.368 3.025 10 30 DGEERN CN(Cc1ccccc1O)C(=O)c1cccc(SCC#N)c1 ZINC000080003349 1197009683 /nfs/dbraw/zinc/00/96/83/1197009683.db2.gz SITZKMAAZCWVAH-UHFFFAOYSA-N 0 0 312.394 3.280 10 30 DGEERN C[C@H](Cc1ccsc1)N(C)C(=O)COc1ccccc1C#N ZINC000081397926 1197214544 /nfs/dbraw/zinc/21/45/44/1197214544.db2.gz ZPOLUABGJPAHNZ-CYBMUJFWSA-N 0 0 314.410 3.088 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(Br)s1 ZINC000081695102 1197242862 /nfs/dbraw/zinc/24/28/62/1197242862.db2.gz SPJPOVSOGHMFAM-QMMMGPOBSA-N 0 0 315.236 3.441 10 30 DGEERN Cc1cc(C(=O)N(C)C[C@@H](C)C#N)sc1Br ZINC000081710070 1197243912 /nfs/dbraw/zinc/24/39/12/1197243912.db2.gz MSEGKZUZPMXVOW-ZETCQYMHSA-N 0 0 301.209 3.051 10 30 DGEERN Cc1cc(C(=O)N(C)C[C@H](C)C#N)sc1Br ZINC000081710072 1197244068 /nfs/dbraw/zinc/24/40/68/1197244068.db2.gz MSEGKZUZPMXVOW-SSDOTTSWSA-N 0 0 301.209 3.051 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2cnc3ccccc3n2)cc1 ZINC000324189294 1197692117 /nfs/dbraw/zinc/69/21/17/1197692117.db2.gz JVTDNTVJNRHEAX-UHFFFAOYSA-N 0 0 318.380 3.158 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cc(F)c(Br)cc1N ZINC000393728406 1197720242 /nfs/dbraw/zinc/72/02/42/1197720242.db2.gz ALLGNSJDBDWAGT-QMMMGPOBSA-N 0 0 315.186 3.255 10 30 DGEERN C[C@H](O)C[C@H]1CCCN1c1cc(Br)ccc1C#N ZINC000310627546 1199721935 /nfs/dbraw/zinc/72/19/35/1199721935.db2.gz LAMSNUSEIMOTBB-GXFFZTMASA-N 0 0 309.207 3.060 10 30 DGEERN Cn1cc(CCCNc2cc(Br)ccc2C#N)cn1 ZINC000313918273 1199776624 /nfs/dbraw/zinc/77/66/24/1199776624.db2.gz AJSPMSYSBAQRDX-UHFFFAOYSA-N 0 0 319.206 3.099 10 30 DGEERN C#CCCCCC(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC000119579764 1200090416 /nfs/dbraw/zinc/09/04/16/1200090416.db2.gz IXYOHSQBRSIAJK-UHFFFAOYSA-N 0 0 324.380 3.342 10 30 DGEERN N#Cc1ccc(Br)cc1NCCCn1ccnc1 ZINC000123101565 1200273053 /nfs/dbraw/zinc/27/30/53/1200273053.db2.gz KSQRJNIZDCJCIK-UHFFFAOYSA-N 0 0 305.179 3.019 10 30 DGEERN CN(CCc1ccccn1)c1cc(Br)ccc1C#N ZINC000123095269 1200273377 /nfs/dbraw/zinc/27/33/77/1200273377.db2.gz JGXCKQVQOZAXEV-UHFFFAOYSA-N 0 0 316.202 3.395 10 30 DGEERN C[C@H](Cn1cccn1)Nc1cc(Br)ccc1C#N ZINC000123153421 1200276335 /nfs/dbraw/zinc/27/63/35/1200276335.db2.gz IRYBRGGLSMDTFM-SNVBAGLBSA-N 0 0 305.179 3.018 10 30 DGEERN COC(=O)C[C@@H](C)Sc1cc(Br)ccc1C#N ZINC000123973125 1200307886 /nfs/dbraw/zinc/30/78/86/1200307886.db2.gz PKPPDZLRUCQIOM-MRVPVSSYSA-N 0 0 314.204 3.364 10 30 DGEERN CCOC[C@H](C)Nc1ccc(C#N)c(Br)c1F ZINC000231845527 1202600322 /nfs/dbraw/zinc/60/03/22/1202600322.db2.gz LCMCOCRKTPVGAN-QMMMGPOBSA-N 0 0 301.159 3.297 10 30 DGEERN CC#CCCCC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000185524193 1202856162 /nfs/dbraw/zinc/85/61/62/1202856162.db2.gz KZHTULUUDSHWMD-OAHLLOKOSA-N 0 0 324.465 3.236 10 30 DGEERN CC#CCCCC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000185524172 1202856338 /nfs/dbraw/zinc/85/63/38/1202856338.db2.gz KZHTULUUDSHWMD-HNNXBMFYSA-N 0 0 324.465 3.236 10 30 DGEERN CC#CCCCC(=O)NC(CC)(CC)CNC(=O)OC(C)(C)C ZINC000185520834 1202856471 /nfs/dbraw/zinc/85/64/71/1202856471.db2.gz KYLXFSYBJVWZBH-UHFFFAOYSA-N 0 0 324.465 3.380 10 30 DGEERN N#Cc1cccc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc32)c1 ZINC000243194067 1203582905 /nfs/dbraw/zinc/58/29/05/1203582905.db2.gz KBJICDWYTBNYAK-UHFFFAOYSA-N 0 0 307.284 3.000 10 30 DGEERN C=C(Br)CNC(=O)/C=C(/C)c1ccc(OC)cc1 ZINC000255625940 1203851805 /nfs/dbraw/zinc/85/18/05/1203851805.db2.gz VQPIIRJBVVJYSO-NTMALXAHSA-N 0 0 310.191 3.123 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000177591084 1203956752 /nfs/dbraw/zinc/95/67/52/1203956752.db2.gz DLVDZIBVQPSKBY-ZDUSSCGKSA-N 0 0 315.369 3.114 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3ccc(F)cc3F)n2c1 ZINC000254935765 1082028331 /nfs/dbraw/zinc/02/83/31/1082028331.db2.gz FJTPOUCPMZZSNK-HYXAFXHYSA-N 0 0 309.275 3.380 10 30 DGEERN CON=Cc1ccc(C(=O)Nc2cccc(N(C)C)c2C)cc1 ZINC000588385791 1082101016 /nfs/dbraw/zinc/10/10/16/1082101016.db2.gz FKTOMHZEVSOXOA-UHFFFAOYSA-N 0 0 311.385 3.294 10 30 DGEERN CC(=Cc1ccc(C)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000588402208 1082143080 /nfs/dbraw/zinc/14/30/80/1082143080.db2.gz WWMZAONYROWXTJ-SYCZXOQXSA-N 0 0 319.364 3.141 10 30 DGEERN N#CC1(COC(=O)/C=C\c2ccnc3ccccc23)CCOCC1 ZINC000588411814 1082175524 /nfs/dbraw/zinc/17/55/24/1082175524.db2.gz OKQJJHFGPYRXCL-WAYWQWQTSA-N 0 0 322.364 3.112 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000588456853 1082334619 /nfs/dbraw/zinc/33/46/19/1082334619.db2.gz QMQFXEVTDDGHHE-YXVBKTCISA-N 0 0 302.337 3.156 10 30 DGEERN CCN(C)c1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cn1 ZINC000588580074 1082740131 /nfs/dbraw/zinc/74/01/31/1082740131.db2.gz BWADIZPWHHCEDU-YVMONPNESA-N 0 0 312.369 3.148 10 30 DGEERN Cn1c2ccc(/C=C\C(=O)c3cccc(C#N)c3)cc2sc1=O ZINC000588590208 1082824464 /nfs/dbraw/zinc/82/44/64/1082824464.db2.gz KJCRTHPRTCCWCX-VURMDHGXSA-N 0 0 320.373 3.368 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccccc2C#N)cc2c1OCCO2 ZINC000588618416 1082864719 /nfs/dbraw/zinc/86/47/19/1082864719.db2.gz RICZRYKVTZOMAI-SREVYHEPSA-N 0 0 321.332 3.234 10 30 DGEERN COc1nscc1CN(C)Cc1ccc(C#N)cc1Cl ZINC000723210463 1105607644 /nfs/dbraw/zinc/60/76/44/1105607644.db2.gz HBGKRHFAIWUQGO-UHFFFAOYSA-N 0 0 307.806 3.309 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(F)ccc1OCCOC ZINC000077442152 334926970 /nfs/dbraw/zinc/92/69/70/334926970.db2.gz UWYBMSOXFXCMKU-UHFFFAOYSA-N 0 0 310.369 3.281 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278273936 214061277 /nfs/dbraw/zinc/06/12/77/214061277.db2.gz AIXGEQFSAPFTHJ-ZIAGYGMSSA-N 0 0 306.381 3.193 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000076650201 185029117 /nfs/dbraw/zinc/02/91/17/185029117.db2.gz SHYUJADDEKNYTP-INIZCTEOSA-N 0 0 315.417 3.108 10 30 DGEERN Cc1cc([C@@H]2CN(C(=O)C3(C#N)CCCC3)CCO2)ccc1F ZINC000129167183 432003065 /nfs/dbraw/zinc/00/30/65/432003065.db2.gz QEPCMZKAMCVELV-INIZCTEOSA-N 0 0 316.376 3.118 10 30 DGEERN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328871111 282140497 /nfs/dbraw/zinc/14/04/97/282140497.db2.gz IGXOACSHWIQVDH-UKRRQHHQSA-N 0 0 318.808 3.122 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891791 432003406 /nfs/dbraw/zinc/00/34/06/432003406.db2.gz DVGDMGZYMWPMHL-OCCSQVGLSA-N 0 0 306.793 3.283 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1snnc1C(C)(C)C ZINC000087445640 185225380 /nfs/dbraw/zinc/22/53/80/185225380.db2.gz ZJTUVBAKYIBBRX-UHFFFAOYSA-N 0 0 300.387 3.268 10 30 DGEERN CC[C@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1nccs1 ZINC000328730230 529580852 /nfs/dbraw/zinc/58/08/52/529580852.db2.gz FZEMUDZCTRHAFN-QWRGUYRKSA-N 0 0 322.434 3.139 10 30 DGEERN CCn1nc(C)c(/C=C/C(=O)c2cc(O)ccc2OC)c1C ZINC000182281347 529599251 /nfs/dbraw/zinc/59/92/51/529599251.db2.gz JOTDGLGHTIZATI-BQYQJAHWSA-N 0 0 300.358 3.130 10 30 DGEERN CCc1cnc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000180481044 529651352 /nfs/dbraw/zinc/65/13/52/529651352.db2.gz KDSPJJLGZHNOLB-UHFFFAOYSA-N 0 0 311.410 3.191 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c[nH]1 ZINC000181350714 199284429 /nfs/dbraw/zinc/28/44/29/199284429.db2.gz CTHVPZLAIIHUNR-INIZCTEOSA-N 0 0 321.380 3.453 10 30 DGEERN COc1ccc(OC)c(NC2=CC(=O)c3ccccc3C2=O)c1 ZINC000102778881 185421226 /nfs/dbraw/zinc/42/12/26/185421226.db2.gz BGEJPUXQRNVKHX-UHFFFAOYSA-N 0 0 309.321 3.079 10 30 DGEERN CN(Cc1ccccc1O)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180602936 530003833 /nfs/dbraw/zinc/00/38/33/530003833.db2.gz COUHCVIXVFWHPF-UHFFFAOYSA-N 0 0 306.365 3.220 10 30 DGEERN CN1C(=O)Cc2cc(NC(=O)c3ccc4c(n3)CCCC4)ccc21 ZINC000329899737 530045227 /nfs/dbraw/zinc/04/52/27/530045227.db2.gz NFWIJOKUPBSLIX-UHFFFAOYSA-N 0 0 321.380 3.116 10 30 DGEERN Cn1c(COc2ccc(C#N)c(F)c2)nnc1-c1ccccc1 ZINC000108954850 185543395 /nfs/dbraw/zinc/54/33/95/185543395.db2.gz LGPGXIOSCFGMGS-UHFFFAOYSA-N 0 0 308.316 3.072 10 30 DGEERN COC(=O)CCCCCNc1nc(C(F)(F)F)ccc1C#N ZINC000115515551 185689374 /nfs/dbraw/zinc/68/93/74/185689374.db2.gz VIXDOCKJNNNKJY-UHFFFAOYSA-N 0 0 315.295 3.117 10 30 DGEERN COc1cc(C#N)ccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000121224934 185767613 /nfs/dbraw/zinc/76/76/13/185767613.db2.gz KBMDADBUEHVEMJ-MRXNPFEDSA-N 0 0 314.410 3.202 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1ccccc1C(F)(F)F ZINC000277524437 213590734 /nfs/dbraw/zinc/59/07/34/213590734.db2.gz UFECOTCVRROJDM-UHFFFAOYSA-N 0 0 307.315 3.027 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(F)cc1C#N)C2 ZINC000106372496 432020386 /nfs/dbraw/zinc/02/03/86/432020386.db2.gz NWMNLKKOCPIAGG-UHFFFAOYSA-N 0 0 312.392 3.113 10 30 DGEERN COc1ccc(/C=C/C(=O)c2c(O)c(C)c(O)cc2OC)cc1 ZINC000106886788 432024760 /nfs/dbraw/zinc/02/47/60/432024760.db2.gz OVJIHSNZSOFRQU-RMKNXTFCSA-N 0 0 314.337 3.320 10 30 biogenic DGEERN C=CCNc1ncc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)s1 ZINC000277595449 186475899 /nfs/dbraw/zinc/47/58/99/186475899.db2.gz WEWKGLMVFJWYTG-VIFPVBQESA-N 0 0 319.352 3.156 10 30 DGEERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1F ZINC000302776916 186746640 /nfs/dbraw/zinc/74/66/40/186746640.db2.gz PDPLQUXEQSQBIV-JTQLQIEISA-N 0 0 300.293 3.482 10 30 DGEERN CC(C)(C)CN(CCC#N)C(=O)c1ccc(-c2ncon2)cc1 ZINC000107250063 432029346 /nfs/dbraw/zinc/02/93/46/432029346.db2.gz AXZYDKYAUJKOFY-UHFFFAOYSA-N 0 0 312.373 3.139 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173913954 198268487 /nfs/dbraw/zinc/26/84/87/198268487.db2.gz SPCHQXVPNYVKPO-HUUCEWRRSA-N 0 0 313.401 3.031 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000174192874 198303670 /nfs/dbraw/zinc/30/36/70/198303670.db2.gz FLOWGJFOEUQKDE-UHFFFAOYSA-N 0 0 316.405 3.036 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1cccnc1 ZINC000174361891 198324322 /nfs/dbraw/zinc/32/43/22/198324322.db2.gz BJLILCCHLZKTPN-HNNXBMFYSA-N 0 0 307.397 3.494 10 30 DGEERN CCOc1ccccc1CCC(=O)NC1(C#N)CCCCC1 ZINC000073171361 191287777 /nfs/dbraw/zinc/28/77/77/191287777.db2.gz AWNXUWDGZSHKJV-UHFFFAOYSA-N 0 0 300.402 3.361 10 30 DGEERN N#Cc1ccc(CSCC(=O)NCCC2=CCCC2)cc1 ZINC000131355559 432036484 /nfs/dbraw/zinc/03/64/84/432036484.db2.gz OEQKUQHLUPPMJG-UHFFFAOYSA-N 0 0 300.427 3.408 10 30 DGEERN N#Cc1ccsc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000004330625 181098835 /nfs/dbraw/zinc/09/88/35/181098835.db2.gz IQXSHQVANOBANK-HNQUOIGGSA-N 0 0 305.340 3.241 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000182821845 199496459 /nfs/dbraw/zinc/49/64/59/199496459.db2.gz QNCPDLSGKNJLQP-SECBINFHSA-N 0 0 322.714 3.417 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCOc4cc(F)ccc43)cc2)CC1 ZINC000180918283 283048845 /nfs/dbraw/zinc/04/88/45/283048845.db2.gz HMWNGQHVOXFYBQ-UHFFFAOYSA-N 0 0 322.339 3.420 10 30 DGEERN N#CC1(NC(=O)c2cc(Br)ccc2F)CCCC1 ZINC000040216353 283047872 /nfs/dbraw/zinc/04/78/72/283047872.db2.gz OZCYXEGTIWCCGL-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN COc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)cc1OC ZINC000004921371 181173034 /nfs/dbraw/zinc/17/30/34/181173034.db2.gz RMBVNSGFQVUQHJ-GZTJUZNOSA-N 0 0 315.329 3.448 10 30 DGEERN N#Cc1c(N2CCc3[nH]c4ccccc4c3C2)nc2ccccn12 ZINC000171277294 283080564 /nfs/dbraw/zinc/08/05/64/283080564.db2.gz OZJWNGGXNLVIBN-UHFFFAOYSA-N 0 0 313.364 3.250 10 30 DGEERN C[C@H](NC(=O)/C=C/c1ccccc1C#N)[C@@H]1COc2ccccc21 ZINC000179304769 432053187 /nfs/dbraw/zinc/05/31/87/432053187.db2.gz JFDQSPGMKFGASG-QUMLYMBLSA-N 0 0 318.376 3.252 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@@H](Sc2ncccc2C#N)C1 ZINC000085333701 192490904 /nfs/dbraw/zinc/49/09/04/192490904.db2.gz MHUBHRNNTDDAAS-GFCCVEGCSA-N 0 0 305.403 3.055 10 30 DGEERN C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000165702112 432056948 /nfs/dbraw/zinc/05/69/48/432056948.db2.gz ISOJACZTAWJAHD-MLGOLLRUSA-N 0 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ZINC000134714516 432084508 /nfs/dbraw/zinc/08/45/08/432084508.db2.gz AXDOHJAMPWVCJC-CJNGLKHVSA-N 0 0 322.412 3.311 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(CC)C1 ZINC000189893167 200466210 /nfs/dbraw/zinc/46/62/10/200466210.db2.gz QGOUUPBKFSTNOQ-HNNXBMFYSA-N 0 0 314.429 3.345 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000330230193 291226108 /nfs/dbraw/zinc/22/61/08/291226108.db2.gz WIWNJJWJCHDTRE-HONMWMINSA-N 0 0 322.380 3.109 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)cc(C)c1OC(F)F ZINC000436008407 238383825 /nfs/dbraw/zinc/38/38/25/238383825.db2.gz UDGAZEYGQDSGGI-UHFFFAOYSA-N 0 0 317.295 3.424 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)ccn1 ZINC000193278847 201019038 /nfs/dbraw/zinc/01/90/38/201019038.db2.gz MKOMVYDJHCIUBH-UHFFFAOYSA-N 0 0 309.344 3.145 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)ccn1 ZINC000194085994 201175368 /nfs/dbraw/zinc/17/53/68/201175368.db2.gz DFHXIQZACDZUNL-WBVHZDCISA-N 0 0 305.381 3.094 10 30 DGEERN 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181854652 /nfs/dbraw/zinc/85/46/52/181854652.db2.gz UNMBHFLCOWVJBM-UHFFFAOYSA-N 0 0 307.806 3.381 10 30 DGEERN Clc1cc(N=NC(c2ccccc2)c2ccccn2)ncn1 ZINC000013606730 181868587 /nfs/dbraw/zinc/86/85/87/181868587.db2.gz JDPHMKIKVPGTDG-CJLVFECKSA-N 0 0 309.760 3.390 10 30 DGEERN CCCc1csc(NC(=O)[C@H](C)Oc2ccccc2C#N)n1 ZINC000127618784 284346014 /nfs/dbraw/zinc/34/60/14/284346014.db2.gz KKJXBERRHIUBOK-NSHDSACASA-N 0 0 315.398 3.373 10 30 DGEERN CCc1cc(C(=O)NCCOc2ccc(C#N)cc2)oc1CC ZINC000127775282 284351052 /nfs/dbraw/zinc/35/10/52/284351052.db2.gz NVYXCCXUSODRQY-UHFFFAOYSA-N 0 0 312.369 3.085 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000127774505 284351067 /nfs/dbraw/zinc/35/10/67/284351067.db2.gz MGXSGHAPIZUWJH-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN CN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1ccc(O)cc1 ZINC000016904527 182063478 /nfs/dbraw/zinc/06/34/78/182063478.db2.gz BQNMAFOCKIHERE-FEGCFHEDSA-N 0 0 311.366 3.021 10 30 DGEERN C=CCCCCNC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000274630679 211775438 /nfs/dbraw/zinc/77/54/38/211775438.db2.gz YXVAMUUXMRVPHD-KRWDZBQOSA-N 0 0 318.417 3.134 10 30 DGEERN N/C(CCCOc1ccc(Cl)cc1Br)=N\O ZINC000019518813 182127479 /nfs/dbraw/zinc/12/74/79/182127479.db2.gz OFTYNSBMUWXXBI-UHFFFAOYSA-N 0 0 307.575 3.008 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190192781 432130960 /nfs/dbraw/zinc/13/09/60/432130960.db2.gz YMOPIKAIARMYCS-CYBMUJFWSA-N 0 0 318.383 3.097 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246436842 432131359 /nfs/dbraw/zinc/13/13/59/432131359.db2.gz CXSAIVOYNQLQHI-OLMNPRSZSA-N 0 0 315.392 3.157 10 30 DGEERN N#CCCCNC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494838071 246199796 /nfs/dbraw/zinc/19/97/96/246199796.db2.gz QAZCQYOSQOQVBE-UHFFFAOYSA-N 0 0 316.792 3.124 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000181640516 432139302 /nfs/dbraw/zinc/13/93/02/432139302.db2.gz CUQNUEQUZCOFOF-JKSUJKDBSA-N 0 0 321.852 3.303 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(c1ncc(C(=O)OC)s1)C1CC1 ZINC000274373858 211557444 /nfs/dbraw/zinc/55/74/44/211557444.db2.gz WVTJWMHKLUUNBJ-SNVBAGLBSA-N 0 0 308.403 3.027 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000274326953 211516157 /nfs/dbraw/zinc/51/61/57/211516157.db2.gz ADOQELPAAXOFFP-CYBMUJFWSA-N 0 0 303.402 3.494 10 30 DGEERN Cn1ncc(Br)c1C(=O)/C=C\c1ccc(F)cc1 ZINC000035679372 182785937 /nfs/dbraw/zinc/78/59/37/182785937.db2.gz RDOOOMXYZAEFJJ-DAXSKMNVSA-N 0 0 309.138 3.218 10 30 DGEERN N#Cc1cc(N)cnc1Nc1ccc(F)cc1Br ZINC000037759018 182924014 /nfs/dbraw/zinc/92/40/14/182924014.db2.gz IEVNXDPKXXAREI-UHFFFAOYSA-N 0 0 307.126 3.181 10 30 DGEERN C=CCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 ZINC000040277845 183050520 /nfs/dbraw/zinc/05/05/20/183050520.db2.gz NDCIAGPFWICPMI-UHFFFAOYSA-N 0 0 309.344 3.291 10 30 DGEERN CNC(SCc1ccc(Cl)cc1)=C1C(=O)CCCC1=O ZINC000040570318 183103978 /nfs/dbraw/zinc/10/39/78/183103978.db2.gz VBVLAKXDDDPMQM-UHFFFAOYSA-N 0 0 309.818 3.326 10 30 DGEERN C=CCNC(=O)COc1ccc(C(C)C)cc1Br ZINC000040942198 183149618 /nfs/dbraw/zinc/14/96/18/183149618.db2.gz CNRJNWCNOBFQSW-UHFFFAOYSA-N 0 0 312.207 3.254 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(CC(C)C)c1C ZINC000287235509 335041985 /nfs/dbraw/zinc/04/19/85/335041985.db2.gz JHKHEBMWJADRCN-SFHVURJKSA-N 0 0 323.440 3.212 10 30 DGEERN CC(C)[C@@H](O)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000159506931 197358705 /nfs/dbraw/zinc/35/87/05/197358705.db2.gz JIQDTSCIIVCHTA-RYUDHWBXSA-N 0 0 315.200 3.081 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NC(=O)CSCC#N)cc1 ZINC000159484984 197357163 /nfs/dbraw/zinc/35/71/63/197357163.db2.gz PSGRWALESXYVPL-CYBMUJFWSA-N 0 0 306.431 3.155 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000273604558 210910617 /nfs/dbraw/zinc/91/06/17/210910617.db2.gz SUMDBEGQTMLOJZ-MRXNPFEDSA-N 0 0 317.429 3.018 10 30 DGEERN C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCS1 ZINC000110715023 194352728 /nfs/dbraw/zinc/35/27/28/194352728.db2.gz NMIIHWQMDRUHEL-AWEZNQCLSA-N 0 0 318.442 3.071 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000156770592 197139494 /nfs/dbraw/zinc/13/94/94/197139494.db2.gz YFHHWPUKLNNVED-UHFFFAOYSA-N 0 0 316.445 3.339 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)ccc1Cl ZINC000246501631 284902412 /nfs/dbraw/zinc/90/24/12/284902412.db2.gz XSZHPGJRQPZLOT-IAQYHMDHSA-N 0 0 324.833 3.165 10 30 DGEERN C[C@@H](CC#N)N(C)c1c(N)cnc2ccc(Br)cc21 ZINC000063086945 184269698 /nfs/dbraw/zinc/26/96/98/184269698.db2.gz AVKLVBKZSQXEPZ-VIFPVBQESA-N 0 0 319.206 3.318 10 30 DGEERN C[C@H](CNC(=O)c1cc(C#N)cs1)c1ccc(F)cc1F ZINC000084116240 252593081 /nfs/dbraw/zinc/59/30/81/252593081.db2.gz IHLWXUYUUZVVJL-SECBINFHSA-N 0 0 306.337 3.431 10 30 DGEERN N#Cc1csc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000092095017 252615799 /nfs/dbraw/zinc/61/57/99/252615799.db2.gz GRTDBLSHJPISMG-WBMJQRKESA-N 0 0 320.364 3.206 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCc3cc(F)ccc3F)CC2)cc1 ZINC000186661626 207630222 /nfs/dbraw/zinc/63/02/22/207630222.db2.gz TUWNYTVFMROXKD-UHFFFAOYSA-N 0 0 312.319 3.184 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000119705164 195022082 /nfs/dbraw/zinc/02/20/82/195022082.db2.gz YTUCFHUSLOGKRS-HNNXBMFYSA-N 0 0 324.384 3.254 10 30 DGEERN Cc1oc(NC(=O)CN2CCC[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000249103926 285055811 /nfs/dbraw/zinc/05/58/11/285055811.db2.gz GOVVYSLCCUZPTI-GDBMZVCRSA-N 0 0 315.417 3.361 10 30 DGEERN CO[C@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@@H]1C ZINC000336810849 253001686 /nfs/dbraw/zinc/00/16/86/253001686.db2.gz JRVAPMAAWRAYCE-NHYWBVRUSA-N 0 0 323.234 3.178 10 30 DGEERN CCc1nc(CNc2ncc(Br)cc2C#N)cs1 ZINC000336900542 253019968 /nfs/dbraw/zinc/01/99/68/253019968.db2.gz SBWGXTZAXDFXRM-UHFFFAOYSA-N 0 0 323.219 3.347 10 30 DGEERN Cc1ccc(/C=C\CC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000254915447 285112627 /nfs/dbraw/zinc/11/26/27/285112627.db2.gz WHKFANAUMJLVDQ-IHWYPQMZSA-N 0 0 320.392 3.465 10 30 DGEERN COC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(C)o1 ZINC000181530857 533079061 /nfs/dbraw/zinc/07/90/61/533079061.db2.gz PMLQKXUHNCIFEH-INIZCTEOSA-N 0 0 324.380 3.261 10 30 DGEERN COc1ccc(CN(C)C(=O)c2ccc(C#N)cc2C)cc1C ZINC000120259861 195128928 /nfs/dbraw/zinc/12/89/28/195128928.db2.gz HYHGBRVKSYKAON-UHFFFAOYSA-N 0 0 308.381 3.456 10 30 DGEERN COc1cc(O[C@@H](C)c2nc(C(C)(C)C)no2)ccc1C#N ZINC000194503734 533096165 /nfs/dbraw/zinc/09/61/65/533096165.db2.gz VYRJGTKRJDRKSG-JTQLQIEISA-N 0 0 301.346 3.387 10 30 DGEERN N#Cc1cccc(OCCN2CCO[C@H](c3cccs3)C2)c1 ZINC000157434047 197187654 /nfs/dbraw/zinc/18/76/54/197187654.db2.gz ZQOHVGPMLRETFK-INIZCTEOSA-N 0 0 314.410 3.072 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343733726 254182664 /nfs/dbraw/zinc/18/26/64/254182664.db2.gz DILITJNQHSJAAN-QZTJIDSGSA-N 0 0 314.335 3.144 10 30 DGEERN CSCCCC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000344576904 254284032 /nfs/dbraw/zinc/28/40/32/254284032.db2.gz FCUJOYCQMSCXIZ-UHFFFAOYSA-N 0 0 313.220 3.402 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 ZINC000288912534 335058795 /nfs/dbraw/zinc/05/87/95/335058795.db2.gz GYILBWBQQFHJPU-LLVKDONJSA-N 0 0 321.402 3.178 10 30 DGEERN C[C@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O ZINC000299807324 257103578 /nfs/dbraw/zinc/10/35/78/257103578.db2.gz WVAMBAWFDOYFOD-QUWCTIRMSA-N 0 0 302.414 3.058 10 30 DGEERN CC[C@H]1c2cc(F)c(F)cc2CCN1c1cc(C#N)ncn1 ZINC000521396625 257240388 /nfs/dbraw/zinc/24/03/88/257240388.db2.gz CVMLERNWVAJNCY-HNNXBMFYSA-N 0 0 300.312 3.140 10 30 DGEERN C[C@@H](C(=O)N(C)c1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000122249402 195424521 /nfs/dbraw/zinc/42/45/21/195424521.db2.gz GYTWWHYMHCCFHW-LLVKDONJSA-N 0 0 306.793 3.237 10 30 DGEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CSC1(C)C ZINC000328729121 533246823 /nfs/dbraw/zinc/24/68/23/533246823.db2.gz FGVVEGFZLDOYMJ-GJZGRUSLSA-N 0 0 320.458 3.470 10 30 DGEERN COc1ccc(C(=O)Nc2cc(C#N)ccn2)c(OC(C)C)c1 ZINC000436015400 533346967 /nfs/dbraw/zinc/34/69/67/533346967.db2.gz HPLPHQWFMZYVEL-UHFFFAOYSA-N 0 0 311.341 3.001 10 30 DGEERN COc1ccc(CCNC(=O)C2(C#N)CCCCC2)c(Cl)c1 ZINC000151261065 533479932 /nfs/dbraw/zinc/47/99/32/533479932.db2.gz UCHYTUVFZUJBDU-UHFFFAOYSA-N 0 0 320.820 3.481 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@@H](CO)[C@H]2CC)c1 ZINC000454674711 533519471 /nfs/dbraw/zinc/51/94/71/533519471.db2.gz QIHXTHHGFALFDX-WMLDXEAASA-N 0 0 318.417 3.266 10 30 DGEERN Cc1ccc(S(=O)(=O)N/N=C2\CCCc3sccc32)cc1 ZINC000005415729 400087317 /nfs/dbraw/zinc/08/73/17/400087317.db2.gz UWBNAXHJBIZTJY-JQIJEIRASA-N 0 0 320.439 3.075 10 30 DGEERN C=CCCCCCNC(=O)c1cnn(-c2ccccn2)c1CC ZINC000581556842 400080316 /nfs/dbraw/zinc/08/03/16/400080316.db2.gz SLPQKXDPULGIJM-UHFFFAOYSA-N 0 0 312.417 3.306 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(C(=O)NCCC)c1 ZINC000581734749 400082322 /nfs/dbraw/zinc/08/23/22/400082322.db2.gz VNNNPQFVIIOHLF-UHFFFAOYSA-N 0 0 302.418 3.303 10 30 DGEERN Cn1ccc2cccc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)c21 ZINC000328607572 400182081 /nfs/dbraw/zinc/18/20/81/400182081.db2.gz WMNXJKCMOVTASP-CXAGYDPISA-N 0 0 324.384 3.278 10 30 DGEERN Cc1noc([C@@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)n1 ZINC000091455065 400119823 /nfs/dbraw/zinc/11/98/23/400119823.db2.gz OJIJMCNKSRAKAL-CYBMUJFWSA-N 0 0 319.368 3.182 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)n1ccc(C)n1 ZINC000616301876 400121428 /nfs/dbraw/zinc/12/14/28/400121428.db2.gz XDESVCZLPSYGIU-AEFFLSMTSA-N 0 0 311.429 3.446 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)n1ccc(C)n1 ZINC000616301879 400121634 /nfs/dbraw/zinc/12/16/34/400121634.db2.gz XDESVCZLPSYGIU-SJLPKXTDSA-N 0 0 311.429 3.446 10 30 DGEERN CC1CCC(O)(CNc2ncc(Br)cc2C#N)CC1 ZINC000311980868 400136591 /nfs/dbraw/zinc/13/65/91/400136591.db2.gz OMQSLQGAONWXFT-UHFFFAOYSA-N 0 0 324.222 3.069 10 30 DGEERN COc1ccc2c(c1)CCCN(C(=O)c1sccc1C#N)C2 ZINC000609132025 400142867 /nfs/dbraw/zinc/14/28/67/400142867.db2.gz WGTUNYFBXNBEMZ-UHFFFAOYSA-N 0 0 312.394 3.217 10 30 DGEERN Cc1cc(C)cc(OCC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609230174 400152790 /nfs/dbraw/zinc/15/27/90/400152790.db2.gz ZQYPDCUWBLYDIY-UHFFFAOYSA-N 0 0 312.344 3.009 10 30 DGEERN N#Cc1ccc(CNC(=O)NC2(c3ccccc3)CC2)c(F)c1 ZINC000609252360 400154481 /nfs/dbraw/zinc/15/44/81/400154481.db2.gz BQZLYEVIZDUSAM-UHFFFAOYSA-N 0 0 309.344 3.186 10 30 DGEERN Cc1nc(NC(=O)NCc2ccc(C#N)cc2F)sc1C ZINC000609239938 400154606 /nfs/dbraw/zinc/15/46/06/400154606.db2.gz LHEFFXHQKHOJRW-UHFFFAOYSA-N 0 0 304.350 3.092 10 30 DGEERN C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C#N)cc1F ZINC000609239038 400154623 /nfs/dbraw/zinc/15/46/23/400154623.db2.gz AMUXZGICFHFBJX-LBPRGKRZSA-N 0 0 315.348 3.111 10 30 DGEERN C=CCCc1noc(-c2cc(N3CCCC3=O)ccc2F)n1 ZINC000351132457 400235204 /nfs/dbraw/zinc/23/52/04/400235204.db2.gz WGTBMBOWLMOFST-UHFFFAOYSA-N 0 0 301.321 3.121 10 30 DGEERN C=CCC1(c2nc(C3(COC)CCCC3)no2)CCOCC1 ZINC000351319370 400247858 /nfs/dbraw/zinc/24/78/58/400247858.db2.gz ZJVGVZKPMAPMMU-UHFFFAOYSA-N 0 0 306.406 3.152 10 30 DGEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(C#N)c1 ZINC000610355683 400248357 /nfs/dbraw/zinc/24/83/57/400248357.db2.gz BQOGBYFUVLDCAG-GFCCVEGCSA-N 0 0 322.343 3.129 10 30 DGEERN CC(C)CCN(CCC#N)Cc1csc(-c2cnn(C)c2)n1 ZINC000610392365 400253353 /nfs/dbraw/zinc/25/33/53/400253353.db2.gz XLRWYXMCINSPAQ-UHFFFAOYSA-N 0 0 317.462 3.305 10 30 DGEERN CC(C)(C)OC(=O)N1CCCO[C@@H](c2ccccc2C#N)C1 ZINC000616651169 400192642 /nfs/dbraw/zinc/19/26/42/400192642.db2.gz KXVYMYMIOFQSAL-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN COc1ccc(C[C@@H](C)NC(=O)CCCCCC#N)cc1OC ZINC000588157310 400193110 /nfs/dbraw/zinc/19/31/10/400193110.db2.gz DHIMZFQDOYFISH-CQSZACIVSA-N 0 0 318.417 3.225 10 30 DGEERN C=C1CC(C)(C(=O)N2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601640473 400321901 /nfs/dbraw/zinc/32/19/01/400321901.db2.gz OHDODQDSMHMDPL-OCCSQVGLSA-N 0 0 307.434 3.169 10 30 DGEERN C=C(C)C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)OC ZINC000601227031 400268751 /nfs/dbraw/zinc/26/87/51/400268751.db2.gz KYZGWAMGRQDTKC-AWEZNQCLSA-N 0 0 315.329 3.063 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCS[C@H](c3ccccc3)C2)c1 ZINC000610522173 400270169 /nfs/dbraw/zinc/27/01/69/400270169.db2.gz CNPNKZXCJPVOHU-SFHVURJKSA-N 0 0 322.433 3.417 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)CSC(C)(C)C ZINC000027391778 400271472 /nfs/dbraw/zinc/27/14/72/400271472.db2.gz PLZZBCHAAORFHX-UHFFFAOYSA-N 0 0 306.431 3.073 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000610527865 400271901 /nfs/dbraw/zinc/27/19/01/400271901.db2.gz UOPZNNQSXUKJPM-SFHVURJKSA-N 0 0 306.365 3.170 10 30 DGEERN Cc1nnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C1CC1 ZINC000610604093 400280412 /nfs/dbraw/zinc/28/04/12/400280412.db2.gz WTHLVOMDQVXIKX-ZWKOTPCHSA-N 0 0 321.428 3.193 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000617034882 400286875 /nfs/dbraw/zinc/28/68/75/400286875.db2.gz FMOGISBPAAXCHH-JKSUJKDBSA-N 0 0 315.413 3.251 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000617037596 400287885 /nfs/dbraw/zinc/28/78/85/400287885.db2.gz OVGQTOYYHZDIOD-NVXWUHKLSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nncn1C(C)C ZINC000617038438 400289066 /nfs/dbraw/zinc/28/90/66/400289066.db2.gz XERJYLAHRWGCQR-KGLIPLIRSA-N 0 0 322.478 3.202 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617039739 400289083 /nfs/dbraw/zinc/28/90/83/400289083.db2.gz LEBYOSPTJSLWJA-RHSMWYFYSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCOc1cccnc1 ZINC000617039945 400289170 /nfs/dbraw/zinc/28/91/70/400289170.db2.gz NMCKQFZCRHHVOX-WBVHZDCISA-N 0 0 302.418 3.492 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000617040397 400289724 /nfs/dbraw/zinc/28/97/24/400289724.db2.gz TZQGICDFXRCYML-DAXOMENPSA-N 0 0 303.450 3.392 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617040254 400289812 /nfs/dbraw/zinc/28/98/12/400289812.db2.gz RLYGNKCNVXGPOS-GDBMZVCRSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCC(=O)N(CC)CC ZINC000617040543 400289821 /nfs/dbraw/zinc/28/98/21/400289821.db2.gz VVTUQXQLJAAGCE-HOTGVXAUSA-N 0 0 308.466 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000617041296 400289866 /nfs/dbraw/zinc/28/98/66/400289866.db2.gz BXLIELLFPKZXOC-PBHICJAKSA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(-n2cccn2)c1 ZINC000617040534 400289937 /nfs/dbraw/zinc/28/99/37/400289937.db2.gz VRDBDCHOQQWIMG-GDBMZVCRSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(-n2cccn2)c1 ZINC000617040537 400290047 /nfs/dbraw/zinc/29/00/47/400290047.db2.gz VRDBDCHOQQWIMG-ZBFHGGJFSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1NC(C)=O ZINC000617041267 400290225 /nfs/dbraw/zinc/29/02/25/400290225.db2.gz BJEVLXQUWHQNHZ-NVXWUHKLSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000617043470 400291392 /nfs/dbraw/zinc/29/13/92/400291392.db2.gz AGYYLUPMLDCTGJ-FMKPAKJESA-N 0 0 301.434 3.330 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)NC1CCCC1 ZINC000617042831 400291552 /nfs/dbraw/zinc/29/15/52/400291552.db2.gz WDTXSAXMRZUBHE-GDBMZVCRSA-N 0 0 306.450 3.077 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1nn(C)c2ccccc12 ZINC000617045234 400291734 /nfs/dbraw/zinc/29/17/34/400291734.db2.gz XVRHGPATRSRYDB-GOEBONIOSA-N 0 0 311.429 3.367 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1scc2c1OCCO2 ZINC000617045230 400291839 /nfs/dbraw/zinc/29/18/39/400291839.db2.gz XVCLJUIIEFQQJP-NWDGAFQWSA-N 0 0 307.415 3.384 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(F)(F)F)nn1C ZINC000617045136 400292179 /nfs/dbraw/zinc/29/21/79/400292179.db2.gz XHAQVICDSWXUOF-WDEREUQCSA-N 0 0 315.339 3.304 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCCC2)on1 ZINC000617044659 400292222 /nfs/dbraw/zinc/29/22/22/400292222.db2.gz QIZYEUCFNAIDBT-ZBFHGGJFSA-N 0 0 317.433 3.135 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(F)(F)F)nn1C ZINC000617045134 400292419 /nfs/dbraw/zinc/29/24/19/400292419.db2.gz XHAQVICDSWXUOF-MNOVXSKESA-N 0 0 315.339 3.304 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000617044847 400292423 /nfs/dbraw/zinc/29/24/23/400292423.db2.gz UDVAOMREDLKOSD-YPMHNXCESA-N 0 0 316.426 3.454 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2COc3c2cccc3Cl)c1 ZINC000610709362 400293876 /nfs/dbraw/zinc/29/38/76/400293876.db2.gz GXJGZODQEJFYON-HNNXBMFYSA-N 0 0 312.756 3.004 10 30 DGEERN Cc1cc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1F ZINC000029066906 400297910 /nfs/dbraw/zinc/29/79/10/400297910.db2.gz SXEGCYNFYHWGCY-CYBMUJFWSA-N 0 0 312.344 3.090 10 30 DGEERN CCN(CC#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000068916197 400299086 /nfs/dbraw/zinc/29/90/86/400299086.db2.gz MWPSUIXEEGZGMH-SECBINFHSA-N 0 0 301.173 3.133 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1nnc(CCC(C)C)s1 ZINC000617094835 400307927 /nfs/dbraw/zinc/30/79/27/400307927.db2.gz WZADFABUVLSCMI-OAHLLOKOSA-N 0 0 311.451 3.294 10 30 DGEERN C=CCN(CCC#N)C(=O)Cc1coc2c1ccc(OC)c2C ZINC000601590760 400313199 /nfs/dbraw/zinc/31/31/99/400313199.db2.gz LXTDZCPFQUVQRK-UHFFFAOYSA-N 0 0 312.369 3.221 10 30 DGEERN CCOc1ccc([C@H](C)NC(=O)COc2ccccc2C#N)cc1 ZINC000029773980 400315404 /nfs/dbraw/zinc/31/54/04/400315404.db2.gz UJHFNOMELCRLHV-AWEZNQCLSA-N 0 0 324.380 3.213 10 30 DGEERN C=CCCC1(CNC(=O)CCOC[C@@H]2CCCO2)CCCC1 ZINC000617416492 400384355 /nfs/dbraw/zinc/38/43/55/400384355.db2.gz SNOWOJHEQUUXIS-INIZCTEOSA-N 0 0 309.450 3.215 10 30 DGEERN C=CCCC1(CNC(=O)CCOC2CCOCC2)CCCC1 ZINC000617417458 400385000 /nfs/dbraw/zinc/38/50/00/400385000.db2.gz ZLUUPWQOXVZBOA-UHFFFAOYSA-N 0 0 309.450 3.215 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCc3n[nH]cc32)CCCC1 ZINC000617417342 400385185 /nfs/dbraw/zinc/38/51/85/400385185.db2.gz VLWANEHTPAJLLC-AWEZNQCLSA-N 0 0 301.434 3.472 10 30 DGEERN C=CCCC1(CNC(=O)C(=O)c2ccc(O)cc2)CCCC1 ZINC000617418189 400385628 /nfs/dbraw/zinc/38/56/28/400385628.db2.gz VSJIYOUIEVSHPN-UHFFFAOYSA-N 0 0 301.386 3.218 10 30 DGEERN N#CC1(CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 ZINC000578208681 400326651 /nfs/dbraw/zinc/32/66/51/400326651.db2.gz DTFAUIUONSSTLG-UHFFFAOYSA-N 0 0 319.336 3.122 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000578622424 400330560 /nfs/dbraw/zinc/33/05/60/400330560.db2.gz OQYXZGQCNLFTJW-QLFBSQMISA-N 0 0 324.465 3.350 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nnsc1Cl ZINC000069450347 400330816 /nfs/dbraw/zinc/33/08/16/400330816.db2.gz ZGDUDQPUINDZBQ-UHFFFAOYSA-N 0 0 311.750 3.407 10 30 DGEERN C=CCCCCCNC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000578878575 400332335 /nfs/dbraw/zinc/33/23/35/400332335.db2.gz CADPGZIGPNQRAC-UHFFFAOYSA-N 0 0 323.458 3.129 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000579318273 400338106 /nfs/dbraw/zinc/33/81/06/400338106.db2.gz UWJUOTGAQVCYLK-GOSISDBHSA-N 0 0 316.449 3.129 10 30 DGEERN Cc1c(C(=O)NC2(C#N)CCC2)cnn1-c1ccccc1Cl ZINC000069697388 400339454 /nfs/dbraw/zinc/33/94/54/400339454.db2.gz XKCSQBITNOAVTK-UHFFFAOYSA-N 0 0 314.776 3.010 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000579584673 400340872 /nfs/dbraw/zinc/34/08/72/400340872.db2.gz HPQFHVAZFMGCLK-YESZJQIVSA-N 0 0 302.418 3.274 10 30 DGEERN CC#CCNC(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC000579621306 400341045 /nfs/dbraw/zinc/34/10/45/400341045.db2.gz UWBPQYBERTUFNB-UHFFFAOYSA-N 0 0 314.429 3.073 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000601781511 400348118 /nfs/dbraw/zinc/34/81/18/400348118.db2.gz IICZCUXMRFVXIE-ZJUUUORDSA-N 0 0 315.822 3.129 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)C(=O)OC ZINC000601781828 400348691 /nfs/dbraw/zinc/34/86/91/400348691.db2.gz LJFROMKDMXRDPS-XJKSGUPXSA-N 0 0 321.392 3.018 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1csc2ccccc12)C(=O)OC ZINC000601778106 400348709 /nfs/dbraw/zinc/34/87/09/400348709.db2.gz LLCJNKZQMLHLFL-ZDUSSCGKSA-N 0 0 303.383 3.139 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000581020300 400349148 /nfs/dbraw/zinc/34/91/48/400349148.db2.gz VFZNLRAQRYENNY-HOTGVXAUSA-N 0 0 315.413 3.424 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000581020303 400349540 /nfs/dbraw/zinc/34/95/40/400349540.db2.gz VFZNLRAQRYENNY-HZPDHXFCSA-N 0 0 315.413 3.424 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)c1ccccc1 ZINC000581069960 400350277 /nfs/dbraw/zinc/35/02/77/400350277.db2.gz XWKHGNKDVUFKEB-DLBZAZTESA-N 0 0 323.458 3.038 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cccc([C@@H]3CCOC3)c2)c(F)c1 ZINC000611183835 400356106 /nfs/dbraw/zinc/35/61/06/400356106.db2.gz OESJKIANCXRFGR-QGZVFWFLSA-N 0 0 324.355 3.131 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000112420311 400373222 /nfs/dbraw/zinc/37/32/22/400373222.db2.gz XUUUWFDEGKOSCZ-GFCCVEGCSA-N 0 0 303.406 3.159 10 30 DGEERN C=CCOCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000611557382 400420704 /nfs/dbraw/zinc/42/07/04/400420704.db2.gz PAEVHUDUNHEWEU-ZDUSSCGKSA-N 0 0 319.430 3.262 10 30 DGEERN CCc1c(NC(=O)N2CCC(C)(C#N)CC2)cnn1CC(C)C ZINC000611558056 400421690 /nfs/dbraw/zinc/42/16/90/400421690.db2.gz NEWSCIUFLOWXJX-UHFFFAOYSA-N 0 0 317.437 3.259 10 30 DGEERN C=CCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000617611102 400425622 /nfs/dbraw/zinc/42/56/22/400425622.db2.gz MCZJFOZRQQMNFU-UHFFFAOYSA-N 0 0 323.234 3.355 10 30 DGEERN C=CCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000617611212 400425826 /nfs/dbraw/zinc/42/58/26/400425826.db2.gz QDEQTTACOQVZRR-LLVKDONJSA-N 0 0 310.191 3.008 10 30 DGEERN Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(CC#N)c2)no1 ZINC000611536474 400417066 /nfs/dbraw/zinc/41/70/66/400417066.db2.gz LLLAUFIPWNATQV-MRXNPFEDSA-N 0 0 324.384 3.202 10 30 DGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1C2CCCC1CCC2 ZINC000611542811 400418706 /nfs/dbraw/zinc/41/87/06/400418706.db2.gz HGYWUIWAYILINJ-WTNGLUPJSA-N 0 0 320.433 3.182 10 30 DGEERN C=CCN(C(=O)c1cc2cccc(F)c2nc1C)[C@@H](C)COC ZINC000617585035 400419914 /nfs/dbraw/zinc/41/99/14/400419914.db2.gz RMMCHEQJJCPUHH-LBPRGKRZSA-N 0 0 316.376 3.345 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000602347970 400444160 /nfs/dbraw/zinc/44/41/60/400444160.db2.gz XYDIBOWHCQHFEI-OAHLLOKOSA-N 0 0 324.465 3.354 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000617777221 400450811 /nfs/dbraw/zinc/45/08/11/400450811.db2.gz KNOFYTBUVJTQOD-SECBINFHSA-N 0 0 315.236 3.334 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ccccc2NC(=O)CC)C1 ZINC000617779051 400451619 /nfs/dbraw/zinc/45/16/19/400451619.db2.gz UESRRDLILPPHLK-AWEZNQCLSA-N 0 0 300.402 3.463 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cn2ncc3ccccc32)C1 ZINC000617778931 400451781 /nfs/dbraw/zinc/45/17/81/400451781.db2.gz RCWIIJFZPQMIQH-HZPDHXFCSA-N 0 0 311.429 3.487 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000617786886 400455555 /nfs/dbraw/zinc/45/55/55/400455555.db2.gz CMSIOYFMLSMRCZ-INIZCTEOSA-N 0 0 315.413 3.205 10 30 DGEERN C=C(C)CN(C)c1nnc(Cc2ccccc2O)n1CC(C)C ZINC000611825850 400457310 /nfs/dbraw/zinc/45/73/10/400457310.db2.gz CFFCYDTZYUGBJB-UHFFFAOYSA-N 0 0 314.433 3.243 10 30 DGEERN CC1(C)CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000074128068 400493500 /nfs/dbraw/zinc/49/35/00/400493500.db2.gz YQRDQVZYHLEYFA-UHFFFAOYSA-N 0 0 303.381 3.465 10 30 DGEERN N#Cc1cccc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000045216429 400515812 /nfs/dbraw/zinc/51/58/12/400515812.db2.gz RDWPZPWCQIXFKS-UHFFFAOYSA-N 0 0 320.327 3.017 10 30 DGEERN N#Cc1cc(COc2cc(Br)ccc2F)ccn1 ZINC000128702228 400517060 /nfs/dbraw/zinc/51/70/60/400517060.db2.gz AYPILSXARSRXKN-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN Cc1ccc(C[C@H](C)N(C)C(=O)COc2ccccc2C#N)cc1 ZINC000129016176 400520200 /nfs/dbraw/zinc/52/02/00/400520200.db2.gz NMBOMINVSOBWBN-INIZCTEOSA-N 0 0 322.408 3.335 10 30 DGEERN CC(=O)/C=C/c1ncc(Br)cc1Br ZINC000130124695 400534438 /nfs/dbraw/zinc/53/44/38/400534438.db2.gz HQUBKWMEOYDPQU-NSCUHMNNSA-N 0 0 304.969 3.209 10 30 DGEERN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1nccs1 ZINC000130821573 400542814 /nfs/dbraw/zinc/54/28/14/400542814.db2.gz IUOAUXTUUKIYML-AAEUAGOBSA-N 0 0 315.398 3.050 10 30 DGEERN C=CCC1(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)CCOCC1 ZINC000618252228 400552221 /nfs/dbraw/zinc/55/22/21/400552221.db2.gz DNXBMQPHQBIBSB-CZUORRHYSA-N 0 0 313.388 3.444 10 30 DGEERN C=C(C)C[C@@H](NCc1csc(-c2ccccc2)n1)C(=O)OC ZINC000602730951 400555944 /nfs/dbraw/zinc/55/59/44/400555944.db2.gz GYORVKHRQKVYPS-OAHLLOKOSA-N 0 0 316.426 3.408 10 30 DGEERN C=C(C)C[C@H](NCc1csc(-c2ccsc2)n1)C(=O)OC ZINC000602734576 400557413 /nfs/dbraw/zinc/55/74/13/400557413.db2.gz PKDFKAYJTKGFSB-ZDUSSCGKSA-N 0 0 322.455 3.469 10 30 DGEERN C=C(C)C[C@H](NCc1csc(-c2cccs2)n1)C(=O)OC ZINC000602735898 400558702 /nfs/dbraw/zinc/55/87/02/400558702.db2.gz ZRXYMQNAKCDBNU-LBPRGKRZSA-N 0 0 322.455 3.469 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000618293876 400564024 /nfs/dbraw/zinc/56/40/24/400564024.db2.gz BHUPSMZWOSPQOM-SFHVURJKSA-N 0 0 317.454 3.342 10 30 DGEERN C=CCN(Cc1nc(C2CCC2)no1)Cc1cccc(C#N)c1 ZINC000602766798 400567512 /nfs/dbraw/zinc/56/75/12/400567512.db2.gz CFCROOCHLOQPMU-UHFFFAOYSA-N 0 0 308.385 3.397 10 30 DGEERN C=CCNc1nc2c(C)csc2c(NN2CCCCC2)[nH+]1 ZINC000140938113 400622555 /nfs/dbraw/zinc/62/25/55/400622555.db2.gz WLEUWVSUTBGTCF-UHFFFAOYSA-N 0 0 303.435 3.410 10 30 DGEERN COCc1ccccc1-c1noc(Cc2cccc(C#N)c2)n1 ZINC000612902737 400624176 /nfs/dbraw/zinc/62/41/76/400624176.db2.gz QRLIJHQMBPMVGD-UHFFFAOYSA-N 0 0 305.337 3.345 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@]2(C)CCCO2)n1CC1CC1 ZINC000612945297 400631030 /nfs/dbraw/zinc/63/10/30/400631030.db2.gz PCHWQXCWXQKSAR-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=C1CC(C)(C(=O)Nc2nc(C(C)C)c(C(=O)OC)s2)C1 ZINC000603066726 400633173 /nfs/dbraw/zinc/63/31/73/400633173.db2.gz RJSBGKJLKYZWCY-UHFFFAOYSA-N 0 0 308.403 3.348 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCCCC[C@H]2O)c(Br)c1 ZINC000135801300 400589395 /nfs/dbraw/zinc/58/93/95/400589395.db2.gz LKBRYHQTJSKFPD-ZIAGYGMSSA-N 0 0 309.207 3.426 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592018591 400597339 /nfs/dbraw/zinc/59/73/39/400597339.db2.gz OQWNYNXEELKAPB-CQSZACIVSA-N 0 0 324.465 3.495 10 30 DGEERN C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1(C)C ZINC000612771848 400601359 /nfs/dbraw/zinc/60/13/59/400601359.db2.gz XHZPZAOQGRIYFA-LBPRGKRZSA-N 0 0 303.381 3.275 10 30 DGEERN Cn1c2ccc([N+](=O)[O-])cc2nc1CCc1ccc(C#N)cc1 ZINC000139094004 400603313 /nfs/dbraw/zinc/60/33/13/400603313.db2.gz TVEUJDRDGOFIMI-UHFFFAOYSA-N 0 0 306.325 3.138 10 30 DGEERN C=CCN(c1nnc(CCc2ccco2)n1CC1CC1)C1CC1 ZINC000612792209 400604128 /nfs/dbraw/zinc/60/41/28/400604128.db2.gz XGBIKTDTNYPYJB-UHFFFAOYSA-N 0 0 312.417 3.221 10 30 DGEERN C[C@H](COc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000139445329 400607269 /nfs/dbraw/zinc/60/72/69/400607269.db2.gz AEXMUHBCTQYLBR-LLVKDONJSA-N 0 0 315.304 3.485 10 30 DGEERN C=CCOCCCNC(=O)c1cc2cccc(F)c2nc1C ZINC000618516600 400609108 /nfs/dbraw/zinc/60/91/08/400609108.db2.gz QKWYDTBRNPNCIE-UHFFFAOYSA-N 0 0 302.349 3.005 10 30 DGEERN C=CCOCCCNC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000618517596 400609213 /nfs/dbraw/zinc/60/92/13/400609213.db2.gz ZLSLQLIGOLZEFJ-OAHLLOKOSA-N 0 0 309.793 3.010 10 30 DGEERN C=CCOCCCNC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000618516020 400609267 /nfs/dbraw/zinc/60/92/67/400609267.db2.gz IHGFVYJNVOUOSO-HNNXBMFYSA-N 0 0 303.402 3.040 10 30 DGEERN C=CCOCCCNC(=O)c1cc(Cl)cc2cccnc21 ZINC000618520768 400610671 /nfs/dbraw/zinc/61/06/71/400610671.db2.gz IXQGEQISJQNPGB-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN C=CCOCCCNC(=O)c1cnn([C@@H](C)CC)c1C1CC1 ZINC000618526879 400611402 /nfs/dbraw/zinc/61/14/02/400611402.db2.gz YXSPZEMWJLYOSR-ZDUSSCGKSA-N 0 0 305.422 3.054 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000618525984 400611811 /nfs/dbraw/zinc/61/18/11/400611811.db2.gz OWFOKISYCIZYMR-HNNXBMFYSA-N 0 0 312.413 3.122 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CCC1 ZINC000603154551 400650724 /nfs/dbraw/zinc/65/07/24/400650724.db2.gz GNZLXWIEWCDUMI-GOSISDBHSA-N 0 0 323.440 3.342 10 30 DGEERN C=CCCN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603118849 400644349 /nfs/dbraw/zinc/64/43/49/400644349.db2.gz SSMKGUWKVRQKGH-LSDHHAIUSA-N 0 0 302.374 3.003 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000076489682 400657652 /nfs/dbraw/zinc/65/76/52/400657652.db2.gz VBVBPSJJTDWTJI-RDJZCZTQSA-N 0 0 316.445 3.256 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@H](CCF)C2)cc1OC ZINC000618686224 400664616 /nfs/dbraw/zinc/66/46/16/400664616.db2.gz AIUOAMHSERKYLU-CQSZACIVSA-N 0 0 321.392 3.472 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC000618700233 400671549 /nfs/dbraw/zinc/67/15/49/400671549.db2.gz UEHOYZZNYJMWKZ-INIZCTEOSA-N 0 0 305.393 3.392 10 30 DGEERN COCc1cncc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000613175124 400668007 /nfs/dbraw/zinc/66/80/07/400668007.db2.gz LNLVKDIGAUIFNC-UHFFFAOYSA-N 0 0 323.396 3.150 10 30 DGEERN COCc1cncc(C(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000613188593 400670239 /nfs/dbraw/zinc/67/02/39/400670239.db2.gz IULJXCFVRMUMNQ-UHFFFAOYSA-N 0 0 301.733 3.005 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H](CC(C)(C)C)C(=O)OC)c1ccccc1 ZINC000592694920 400687087 /nfs/dbraw/zinc/68/70/87/400687087.db2.gz ZIPSEKQCPJEFFC-HOCLYGCPSA-N 0 0 317.429 3.440 10 30 DGEERN COc1cc(C)cc(NC(=O)N2CCC(CC#N)CC2)c1C ZINC000618778831 400687133 /nfs/dbraw/zinc/68/71/33/400687133.db2.gz LXROHIKXFQVOLK-UHFFFAOYSA-N 0 0 301.390 3.470 10 30 DGEERN C=CC[C@H](CO)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000613490465 400734287 /nfs/dbraw/zinc/73/42/87/400734287.db2.gz XXWIRNNPCAWKAN-GOSISDBHSA-N 0 0 301.430 3.330 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000077790194 400747602 /nfs/dbraw/zinc/74/76/02/400747602.db2.gz FVYXQVVZIMAXAV-CQSZACIVSA-N 0 0 308.809 3.164 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000077790723 400747842 /nfs/dbraw/zinc/74/78/42/400747842.db2.gz GQFKCAGFZYRGQC-UHFFFAOYSA-N 0 0 320.820 3.352 10 30 DGEERN Cc1cscc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000618810301 400694167 /nfs/dbraw/zinc/69/41/67/400694167.db2.gz AQNUOVHLVYMLFL-UHFFFAOYSA-N 0 0 303.362 3.067 10 30 DGEERN C=CCC[C@@H](C(=O)NCC(O)(C1CC1)C1CC1)c1ccccc1 ZINC000619031530 400752946 /nfs/dbraw/zinc/75/29/46/400752946.db2.gz DGTXRAPWFKQXFX-GOSISDBHSA-N 0 0 313.441 3.404 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC1CCC(OC(C)C)CC1 ZINC000156376642 400709575 /nfs/dbraw/zinc/70/95/75/400709575.db2.gz VXQOZWDAUXDJTD-UHFFFAOYSA-N 0 0 300.402 3.333 10 30 DGEERN C=CCC1(C(=O)N2CCc3cccc(C(=O)OC)c3C2)CCC1 ZINC000592886421 400715007 /nfs/dbraw/zinc/71/50/07/400715007.db2.gz DUZQLSFXSKFBGE-UHFFFAOYSA-N 0 0 313.397 3.104 10 30 DGEERN COc1ccc(-c2noc(/C=C/c3ccccc3C#N)n2)cn1 ZINC000171803033 400806861 /nfs/dbraw/zinc/80/68/61/400806861.db2.gz MUBNNTJWOJWMSQ-RMKNXTFCSA-N 0 0 304.309 3.182 10 30 DGEERN C=CCNC(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593295530 400811811 /nfs/dbraw/zinc/81/18/11/400811811.db2.gz QYKIVJLFPNVRNF-HUUCEWRRSA-N 0 0 316.401 3.042 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 ZINC000613583508 400756787 /nfs/dbraw/zinc/75/67/87/400756787.db2.gz RYZMCRBTFPYISB-ULQDDVLXSA-N 0 0 308.466 3.178 10 30 DGEERN Cc1cnc(CCNC(=O)c2ccc(C#N)cc2)n1C1CCCC1 ZINC000169787977 400761149 /nfs/dbraw/zinc/76/11/49/400761149.db2.gz WBKUDDGTCRZQML-UHFFFAOYSA-N 0 0 322.412 3.151 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000613775320 400789049 /nfs/dbraw/zinc/78/90/49/400789049.db2.gz WZETXYBZHFRIBK-AWEZNQCLSA-N 0 0 310.344 3.208 10 30 DGEERN N#Cc1c(NCc2cnn(-c3ccccc3)c2)nc2ccccn12 ZINC000171277326 400792723 /nfs/dbraw/zinc/79/27/23/400792723.db2.gz GVUJAAKSNIUZNF-UHFFFAOYSA-N 0 0 314.352 3.004 10 30 DGEERN C[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@H](c2ccco2)C1 ZINC000614300268 400873455 /nfs/dbraw/zinc/87/34/55/400873455.db2.gz CBJBAGWBLNKECR-LRDDRELGSA-N 0 0 310.353 3.470 10 30 DGEERN N#Cc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1Cl ZINC000619660243 400879934 /nfs/dbraw/zinc/87/99/34/400879934.db2.gz FXXLAIREJAKXCA-UHFFFAOYSA-N 0 0 301.777 3.271 10 30 DGEERN C=CCCCN(C)C(=O)COCc1nc2ccccc2s1 ZINC000605644984 400881941 /nfs/dbraw/zinc/88/19/41/400881941.db2.gz FZQLNLURDNIDPS-UHFFFAOYSA-N 0 0 304.415 3.238 10 30 DGEERN C=CC[C@H]1N(C(=O)Cc2ccnc(OC)c2)CCCC1(C)C ZINC000614056802 400833088 /nfs/dbraw/zinc/83/30/88/400833088.db2.gz XHXUWOXZZNTYFE-OAHLLOKOSA-N 0 0 302.418 3.226 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000614117853 400840266 /nfs/dbraw/zinc/84/02/66/400840266.db2.gz WFOXCEMXJDQHOH-SJORKVTESA-N 0 0 314.429 3.244 10 30 DGEERN C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccncc1 ZINC000619438767 400848937 /nfs/dbraw/zinc/84/89/37/400848937.db2.gz VETXBIIGQGLGIM-CRAIPNDOSA-N 0 0 307.397 3.389 10 30 DGEERN C=CCN(CC=C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000055120285 400854232 /nfs/dbraw/zinc/85/42/32/400854232.db2.gz QYCUJGSGSWSCBZ-UHFFFAOYSA-N 0 0 301.777 3.340 10 30 DGEERN C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)N1CCCCC1=O ZINC000619497598 400856633 /nfs/dbraw/zinc/85/66/33/400856633.db2.gz PYGFFICRIJTDFK-CYBMUJFWSA-N 0 0 314.433 3.064 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000619512190 400859135 /nfs/dbraw/zinc/85/91/35/400859135.db2.gz ATFDHGRKTNZWKQ-UHFFFAOYSA-N 0 0 321.384 3.274 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCCCc1c(C)nn(C)c1C ZINC000181021158 400887150 /nfs/dbraw/zinc/88/71/50/400887150.db2.gz GLXTTZDLXKPGPZ-CYBMUJFWSA-N 0 0 306.454 3.014 10 30 DGEERN C=CCN1C(=O)N(CC(F)(F)CC)C(=O)[C@H]1Cc1ccccc1 ZINC000629483954 400938031 /nfs/dbraw/zinc/93/80/31/400938031.db2.gz RKFVXBDKDQGHTI-CQSZACIVSA-N 0 0 322.355 3.093 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](OC)C1CCC1 ZINC000614730504 400938403 /nfs/dbraw/zinc/93/84/03/400938403.db2.gz WBYKWYYPLRDXFK-QGZVFWFLSA-N 0 0 319.449 3.184 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cnn2c1CCCC2 ZINC000633432314 400949677 /nfs/dbraw/zinc/94/96/77/400949677.db2.gz AFVVKMNHZJFBLN-GOSISDBHSA-N 0 0 323.440 3.066 10 30 DGEERN C=CCCCN(C)C(=O)NCCN1CCCc2ccccc21 ZINC000605969004 400890014 /nfs/dbraw/zinc/89/00/14/400890014.db2.gz XHNFYULLYUKKRD-UHFFFAOYSA-N 0 0 301.434 3.047 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@@H]2C[C@H]2c2cccnc2)cc1 ZINC000614412126 400895870 /nfs/dbraw/zinc/89/58/70/400895870.db2.gz DGWJLDFYASFCTI-HKUYNNGSSA-N 0 0 322.408 3.109 10 30 DGEERN C[C@@H](C#N)CNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000182724867 400895919 /nfs/dbraw/zinc/89/59/19/400895919.db2.gz DDUHBANWSKQMCU-ZFWWWQNUSA-N 0 0 313.401 3.282 10 30 DGEERN C=CCSCCNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000194476167 400920683 /nfs/dbraw/zinc/92/06/83/400920683.db2.gz RELYDCHAYJIFRR-UHFFFAOYSA-N 0 0 321.833 3.175 10 30 DGEERN C=CCCn1cc(C[S@](=O)Cc2c(C)cc(C)cc2C)nn1 ZINC000593935794 400922539 /nfs/dbraw/zinc/92/25/39/400922539.db2.gz JKRFHLXXKKGSTJ-QFIPXVFZSA-N 0 0 317.458 3.228 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C)OCC ZINC000619918121 400923967 /nfs/dbraw/zinc/92/39/67/400923967.db2.gz BHNHBHRLJYJQHI-YTQUADARSA-N 0 0 319.445 3.232 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C ZINC000619920032 400924772 /nfs/dbraw/zinc/92/47/72/400924772.db2.gz WAKPXTLCQNWOLJ-ZHALLVOQSA-N 0 0 319.445 3.090 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@@H](C)n2ccc(C)n2)cc1 ZINC000614677043 400928797 /nfs/dbraw/zinc/92/87/97/400928797.db2.gz DAJIUMVZNKMOKK-OAHLLOKOSA-N 0 0 313.401 3.024 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(C(C)(C)C)n1 ZINC000593970677 400931058 /nfs/dbraw/zinc/93/10/58/400931058.db2.gz ZSSWSASFWDTXEB-UHFFFAOYSA-N 0 0 322.412 3.338 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCCc2ccc(OC)cc21)OCC ZINC000619937391 400932467 /nfs/dbraw/zinc/93/24/67/400932467.db2.gz KMTDUUOUPQBPDE-KRWDZBQOSA-N 0 0 303.402 3.346 10 30 DGEERN CCCCCCCCCCCCNc1cc(=O)n(C)c(=O)n1C ZINC000198693686 400934221 /nfs/dbraw/zinc/93/42/21/400934221.db2.gz PPONSLQKKMGYKB-UHFFFAOYSA-N 0 0 323.481 3.417 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H](C)CC(=C)C)C1 ZINC000614984760 400981397 /nfs/dbraw/zinc/98/13/97/400981397.db2.gz NILVUUDFEFQTCU-FRQCXROJSA-N 0 0 320.477 3.298 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)CCC1 ZINC000620806073 400984516 /nfs/dbraw/zinc/98/45/16/400984516.db2.gz OVNHDJRIUDICAT-RYUDHWBXSA-N 0 0 305.340 3.301 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)CCC1 ZINC000620806071 400984768 /nfs/dbraw/zinc/98/47/68/400984768.db2.gz OVNHDJRIUDICAT-NEPJUHHUSA-N 0 0 305.340 3.301 10 30 DGEERN N#CCc1ccc(C(F)(F)F)cc1I ZINC000238570539 400999391 /nfs/dbraw/zinc/99/93/91/400999391.db2.gz FMLAKFXSVBIDGT-UHFFFAOYSA-N 0 0 311.044 3.376 10 30 DGEERN C=CCCCCCNC(=O)c1c(F)cncc1Br ZINC000633586773 401012213 /nfs/dbraw/zinc/01/22/13/401012213.db2.gz SGZZMVNLWKVZTI-UHFFFAOYSA-N 0 0 315.186 3.459 10 30 DGEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC000624828835 400962549 /nfs/dbraw/zinc/96/25/49/400962549.db2.gz NPKDZADNMGOUSP-KADIJHKTSA-N 0 0 316.449 3.498 10 30 DGEERN C=CCn1c(-c2cc[nH]n2)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC000624841067 400967869 /nfs/dbraw/zinc/96/78/69/400967869.db2.gz TXJJOSYGRFGVON-MFBWXBCUSA-N 0 0 312.421 3.037 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC000624846233 400968482 /nfs/dbraw/zinc/96/84/82/400968482.db2.gz DVJOBJUKDVPYOD-CQSZACIVSA-N 0 0 322.416 3.094 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1F ZINC000633487139 400968963 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C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(OC)c1OC ZINC000620303912 401050856 /nfs/dbraw/zinc/05/08/56/401050856.db2.gz JRHRLGUXUFOCJO-TXEJJXNPSA-N 0 0 305.349 3.166 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000620305558 401052116 /nfs/dbraw/zinc/05/21/16/401052116.db2.gz LJLBWQVTPXVEIJ-PHIMTYICSA-N 0 0 311.307 3.127 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000620306342 401052665 /nfs/dbraw/zinc/05/26/65/401052665.db2.gz DHQUOIXTLZHQAI-BETUJISGSA-N 0 0 314.360 3.034 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(OCC)c(Cl)c1 ZINC000620310293 401053678 /nfs/dbraw/zinc/05/36/78/401053678.db2.gz KQUWRGMZNUQPNW-BETUJISGSA-N 0 0 306.793 3.457 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1OCC ZINC000620316741 401055550 /nfs/dbraw/zinc/05/55/50/401055550.db2.gz GSVFGAWEFSDVQN-GASCZTMLSA-N 0 0 301.386 3.174 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)CCOCC1 ZINC000629657952 401022927 /nfs/dbraw/zinc/02/29/27/401022927.db2.gz 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C=CC(C)(C)CCNC(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000624460406 401662328 /nfs/dbraw/zinc/66/23/28/401662328.db2.gz XSKZQIAQEBGPAU-UHFFFAOYSA-N 0 0 306.450 3.189 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)Cc1nccn1C(F)F ZINC000624468463 401662818 /nfs/dbraw/zinc/66/28/18/401662818.db2.gz MUGYDTDOKHFJRE-UHFFFAOYSA-N 0 0 300.353 3.022 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)CCOCc1ccccc1 ZINC000624465411 401663052 /nfs/dbraw/zinc/66/30/52/401663052.db2.gz PLJMVZYCPPEMMT-UHFFFAOYSA-N 0 0 304.434 3.447 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)CCOc1ccc(OC)cc1 ZINC000624469932 401663534 /nfs/dbraw/zinc/66/35/34/401663534.db2.gz FZYNITSYKVABEK-UHFFFAOYSA-N 0 0 320.433 3.318 10 30 DGEERN C=C(CC)CNC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633286364 401669744 /nfs/dbraw/zinc/66/97/44/401669744.db2.gz MKNBMHQMJIJGHQ-CYBMUJFWSA-N 0 0 316.323 3.004 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCn2nccc21 ZINC000633311645 401671966 /nfs/dbraw/zinc/67/19/66/401671966.db2.gz NLIIEFJBYJIQNS-SJORKVTESA-N 0 0 324.428 3.205 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633318722 401672456 /nfs/dbraw/zinc/67/24/56/401672456.db2.gz CEUYAROUUNOTIT-MSOLQXFVSA-N 0 0 315.413 3.044 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCn2nccc21 ZINC000633344611 401674525 /nfs/dbraw/zinc/67/45/25/401674525.db2.gz YJTSHCPWUMZJJA-KFWWJZLASA-N 0 0 302.422 3.152 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000629272130 401677150 /nfs/dbraw/zinc/67/71/50/401677150.db2.gz STYFGBNRMDULMD-GOEBONIOSA-N 0 0 321.367 3.310 10 30 DGEERN C=CCN(C)C(=O)NCc1cc(F)c(Br)cc1F ZINC000624704272 401684024 /nfs/dbraw/zinc/68/40/24/401684024.db2.gz CTHYMNVRJFQDDS-UHFFFAOYSA-N 0 0 319.149 3.055 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168794134 164610640 /nfs/dbraw/zinc/61/06/40/164610640.db2.gz DZYXOUZSLOFLNI-WDEREUQCSA-N 0 0 312.822 3.021 10 30 DGEERN CCC1(NC(=O)NCCSCc2ccccc2C#N)CCC1 ZINC000175892307 164769328 /nfs/dbraw/zinc/76/93/28/164769328.db2.gz KFFZMNPFQUGYHK-UHFFFAOYSA-N 0 0 317.458 3.423 10 30 DGEERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176187525 164776231 /nfs/dbraw/zinc/77/62/31/164776231.db2.gz JFEUCUWHDOKVOG-WBMJQRKESA-N 0 0 311.360 3.259 10 30 DGEERN N#Cc1csc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000177482508 164808111 /nfs/dbraw/zinc/80/81/11/164808111.db2.gz LTQFDFXUOFSLKS-LLVKDONJSA-N 0 0 303.412 3.096 10 30 DGEERN Cc1c(C#N)cccc1NCc1nnc(-c2ccccc2)n1C ZINC000179969687 164871190 /nfs/dbraw/zinc/87/11/90/164871190.db2.gz NHBIBASNHFXDRP-UHFFFAOYSA-N 0 0 303.369 3.274 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc(F)c1 ZINC000186003949 165024586 /nfs/dbraw/zinc/02/45/86/165024586.db2.gz SPVZMSXPEIKVQN-GFCCVEGCSA-N 0 0 307.332 3.451 10 30 DGEERN COc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186022073 165025241 /nfs/dbraw/zinc/02/52/41/165025241.db2.gz HEXHSSCVVZTLIG-ZDUSSCGKSA-N 0 0 319.368 3.321 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000187427836 165091816 /nfs/dbraw/zinc/09/18/16/165091816.db2.gz ILTVDKILSXSHQQ-UHFFFAOYSA-N 0 0 324.424 3.152 10 30 DGEERN CC(C)[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCS1 ZINC000187662508 165099302 /nfs/dbraw/zinc/09/93/02/165099302.db2.gz WNZFDBQGTVQAKY-MRXNPFEDSA-N 0 0 314.454 3.190 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000189328137 165158852 /nfs/dbraw/zinc/15/88/52/165158852.db2.gz DEYMNAMLNNCWMI-UHFFFAOYSA-N 0 0 323.371 3.187 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)ccn1 ZINC000192573698 165296006 /nfs/dbraw/zinc/29/60/06/165296006.db2.gz DDTHBKYCBBIWLW-UHFFFAOYSA-N 0 0 313.307 3.036 10 30 DGEERN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)o1 ZINC000192662838 165300068 /nfs/dbraw/zinc/30/00/68/165300068.db2.gz VHSXCYPCNKFDMS-SJCJKPOMSA-N 0 0 321.380 3.474 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccn1 ZINC000192643150 165300907 /nfs/dbraw/zinc/30/09/07/165300907.db2.gz LIPOBMNMNVLOEB-UHFFFAOYSA-N 0 0 323.377 3.450 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)nc2)ccn1 ZINC000192850031 165307973 /nfs/dbraw/zinc/30/79/73/165307973.db2.gz QIGRSGKLBINHGE-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)ccn1 ZINC000192972204 165312292 /nfs/dbraw/zinc/31/22/92/165312292.db2.gz CNWHNUJTFDKITJ-UHFFFAOYSA-N 0 0 320.274 3.180 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)ccn1 ZINC000193038706 165314653 /nfs/dbraw/zinc/31/46/53/165314653.db2.gz BLRLKKWDWAWQSD-UHFFFAOYSA-N 0 0 317.352 3.349 10 30 DGEERN Cc1nnc(SCc2nnc(-c3ccccc3)o2)c(C#N)c1C ZINC000193051878 165316677 /nfs/dbraw/zinc/31/66/77/165316677.db2.gz HCVQXSFBJNFKGO-UHFFFAOYSA-N 0 0 323.381 3.307 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)ccn1 ZINC000193559989 165329017 /nfs/dbraw/zinc/32/90/17/165329017.db2.gz IWSYCYAOSNDUSF-UHFFFAOYSA-N 0 0 322.349 3.035 10 30 DGEERN Cc1ccnc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000365269926 287116429 /nfs/dbraw/zinc/11/64/29/287116429.db2.gz FAUFMZBILIJZEN-UHFFFAOYSA-N 0 0 310.376 3.175 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)c(F)c1 ZINC000129248744 196032970 /nfs/dbraw/zinc/03/29/70/196032970.db2.gz GLZYFICFYZRCMK-UHFFFAOYSA-N 0 0 310.307 3.452 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)N(CCC#N)Cc1cccnc1 ZINC000269271992 432156290 /nfs/dbraw/zinc/15/62/90/432156290.db2.gz GXPXNUYVPDICJE-OAHLLOKOSA-N 0 0 315.417 3.109 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000182108624 432158709 /nfs/dbraw/zinc/15/87/09/432158709.db2.gz NBBQTJFRRZKJLD-SCLBCKFNSA-N 0 0 305.381 3.485 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1O ZINC000190507847 432166985 /nfs/dbraw/zinc/16/69/85/432166985.db2.gz KZFBZKGKNQTTMK-SFHVURJKSA-N 0 0 318.332 3.376 10 30 DGEERN CC(C)(C)CN(CCC#N)CC(=O)Nc1cc(F)cc(F)c1 ZINC000171946477 432185490 /nfs/dbraw/zinc/18/54/90/432185490.db2.gz QRPJLKLHICLFCQ-UHFFFAOYSA-N 0 0 309.360 3.165 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC/C=C/c1ccccc1 ZINC000171993248 432189781 /nfs/dbraw/zinc/18/97/81/432189781.db2.gz PAQCGHPBXGBWBL-JOZWUWCOSA-N 0 0 306.365 3.155 10 30 DGEERN C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329185131 287256770 /nfs/dbraw/zinc/25/67/70/287256770.db2.gz AKDRBKAPNWOANM-ZIAGYGMSSA-N 0 0 318.465 3.284 10 30 DGEERN C[C@H](NCc1cc(C#N)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000150966934 432207286 /nfs/dbraw/zinc/20/72/86/432207286.db2.gz CDAFPVOZAWUDGO-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191161779 432228634 /nfs/dbraw/zinc/22/86/34/432228634.db2.gz MJPDJKHXOWVFNY-CYBMUJFWSA-N 0 0 306.381 3.193 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCC(Nc2ccccc2F)CC1 ZINC000126457466 227000176 /nfs/dbraw/zinc/00/01/76/227000176.db2.gz DDPXVSZGRCLQBG-AWEZNQCLSA-N 0 0 300.381 3.146 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(OCCC(C)C)c1 ZINC000184613574 335080777 /nfs/dbraw/zinc/08/07/77/335080777.db2.gz ARSXJNFXMCKIAN-HNNXBMFYSA-N 0 0 306.406 3.170 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000184610035 335080790 /nfs/dbraw/zinc/08/07/90/335080790.db2.gz NBWQHFINLDIUEI-PBHICJAKSA-N 0 0 305.418 3.226 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCOc1cccc(Cl)c1 ZINC000161766295 228254524 /nfs/dbraw/zinc/25/45/24/228254524.db2.gz HUWVVGFEUQTZRL-UHFFFAOYSA-N 0 0 314.772 3.329 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000172977113 228278367 /nfs/dbraw/zinc/27/83/67/228278367.db2.gz ZJDUCFADAGTDLX-OAHLLOKOSA-N 0 0 300.402 3.182 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)NCCCCC#N)C2)n1 ZINC000173492449 228281803 /nfs/dbraw/zinc/28/18/03/228281803.db2.gz HJUBFCLCJRGWHE-CYBMUJFWSA-N 0 0 306.435 3.034 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000176938368 228322146 /nfs/dbraw/zinc/32/21/46/228322146.db2.gz PAOIVLIKORCMJP-UHFFFAOYSA-N 0 0 311.238 3.307 10 30 DGEERN C[C@H](O)c1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000180522005 228356675 /nfs/dbraw/zinc/35/66/75/228356675.db2.gz HKSVGWKZQKIVGE-AWEZNQCLSA-N 0 0 320.392 3.225 10 30 DGEERN Cc1cc(Br)ccc1CC(=O)NC1(C#N)CCCC1 ZINC000181578898 228363161 /nfs/dbraw/zinc/36/31/61/228363161.db2.gz LGRWCQGYMMDHMI-UHFFFAOYSA-N 0 0 321.218 3.253 10 30 DGEERN Cc1ccc(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)s1 ZINC000183986045 228380308 /nfs/dbraw/zinc/38/03/08/228380308.db2.gz VAXOTIDSIDUCEJ-SFHVURJKSA-N 0 0 310.422 3.167 10 30 DGEERN N#Cc1ccc(OCC(=O)Nc2ccccc2F)cc1Cl ZINC000190246886 228502723 /nfs/dbraw/zinc/50/27/23/228502723.db2.gz HGSHXXKXIPLYTL-UHFFFAOYSA-N 0 0 304.708 3.368 10 30 DGEERN O=C(NCCC1CCOCC1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330266013 228985077 /nfs/dbraw/zinc/98/50/77/228985077.db2.gz AACBHXPITKCAFA-MRXNPFEDSA-N 0 0 324.465 3.189 10 30 DGEERN C[C@H](CC1CC1)NC(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330271959 228985732 /nfs/dbraw/zinc/98/57/32/228985732.db2.gz WVVYUMKLJRBUFY-TZMCWYRMSA-N 0 0 321.396 3.167 10 30 DGEERN C[C@@]12CN(C(=O)NCC3CCC(C#N)CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333216250 229037247 /nfs/dbraw/zinc/03/72/47/229037247.db2.gz LCUGEHJPWLMLEY-USWODUCQSA-N 0 0 315.461 3.394 10 30 DGEERN N#Cc1c(N2CC=C(c3ccccc3)CC2)nc2ccccn12 ZINC000302109644 230098539 /nfs/dbraw/zinc/09/85/39/230098539.db2.gz TWDBSZYUXQZLFT-UHFFFAOYSA-N 0 0 300.365 3.500 10 30 DGEERN N#Cc1c(F)cccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302151491 230128315 /nfs/dbraw/zinc/12/83/15/230128315.db2.gz BWORSQXUZCIPLM-UHFFFAOYSA-N 0 0 312.348 3.342 10 30 DGEERN Cc1ccc(N2CCC(Oc3ccc(F)cc3)CC2)nc1C#N ZINC000302670945 230343473 /nfs/dbraw/zinc/34/34/73/230343473.db2.gz RNQALDULGFKMEW-UHFFFAOYSA-N 0 0 311.360 3.449 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)ccn1 ZINC000193141439 263789306 /nfs/dbraw/zinc/78/93/06/263789306.db2.gz OGSWUSXTJOLAIH-VQIMIIECSA-N 0 0 319.408 3.485 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000357408659 270003817 /nfs/dbraw/zinc/00/38/17/270003817.db2.gz BPAFNIYCYDLLEC-UHFFFAOYSA-N 0 0 305.259 3.153 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000069190577 425931684 /nfs/dbraw/zinc/93/16/84/425931684.db2.gz BRCZJCBOJJFVDC-JTQLQIEISA-N 0 0 307.781 3.146 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000626393168 424812788 /nfs/dbraw/zinc/81/27/88/424812788.db2.gz YKQRKOCRWBOWJC-UHFFFAOYSA-N 0 0 313.405 3.050 10 30 DGEERN CCOc1cccc(CCNc2ccc(Cl)c(C#N)n2)n1 ZINC000610755483 425078676 /nfs/dbraw/zinc/07/86/76/425078676.db2.gz CTLYIHUEWQHMPC-UHFFFAOYSA-N 0 0 302.765 3.055 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@@]2(C)COc3ccccc3O2)c1 ZINC000528075685 266845555 /nfs/dbraw/zinc/84/55/55/266845555.db2.gz BQKVXVYDHZEILX-IBGZPJMESA-N 0 0 322.364 3.403 10 30 DGEERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000172781265 432235037 /nfs/dbraw/zinc/23/50/37/432235037.db2.gz UZIDJGSVCLLVLG-ZDUSSCGKSA-N 0 0 311.341 3.484 10 30 DGEERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2sccc2C#N)C1 ZINC000374159657 267032407 /nfs/dbraw/zinc/03/24/07/267032407.db2.gz LNESGMNTYULVFS-UNQGMJICSA-N 0 0 318.442 3.021 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)c2nc(C)cc(C#N)n2)C12CCCCC2 ZINC000519710493 267149192 /nfs/dbraw/zinc/14/91/92/267149192.db2.gz UOPCEQIRKCSOMT-HZPDHXFCSA-N 0 0 314.433 3.221 10 30 DGEERN CC[C@H](CNC(=O)Cc1cccc(C#N)c1)Oc1ccccc1C ZINC000531459828 267212414 /nfs/dbraw/zinc/21/24/14/267212414.db2.gz UAKGMAOQWBUPMW-GOSISDBHSA-N 0 0 322.408 3.383 10 30 DGEERN CC[C@H](c1ccncc1)N(CC)C(=O)Cc1cccc(C#N)c1 ZINC000531153394 267226196 /nfs/dbraw/zinc/22/61/96/267226196.db2.gz XYEQPBSSMDQHMS-GOSISDBHSA-N 0 0 307.397 3.496 10 30 DGEERN CN(C)c1c(Cl)cccc1NC(=O)Cc1cccc(C#N)c1 ZINC000531145776 267290415 /nfs/dbraw/zinc/29/04/15/267290415.db2.gz JYLANGJQNPMFMH-UHFFFAOYSA-N 0 0 313.788 3.459 10 30 DGEERN Cc1cc(C)n([C@@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 ZINC000369346970 267322394 /nfs/dbraw/zinc/32/23/94/267322394.db2.gz VJWLRTHQCYSAEI-QGZVFWFLSA-N 0 0 305.385 3.085 10 30 DGEERN CN1CCCN(C(=O)Cc2cccc(C#N)c2)c2ccc(F)cc21 ZINC000531153693 267333910 /nfs/dbraw/zinc/33/39/10/267333910.db2.gz UGLVFQMOFJPILW-UHFFFAOYSA-N 0 0 323.371 3.113 10 30 DGEERN Cc1cc(NCCc2cn[nH]c2)n2c3ccccc3nc2c1C#N ZINC000357629973 267347559 /nfs/dbraw/zinc/34/75/59/267347559.db2.gz PHGCFCUEAHDBSS-UHFFFAOYSA-N 0 0 316.368 3.045 10 30 DGEERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C#N ZINC000367012032 267402327 /nfs/dbraw/zinc/40/23/27/267402327.db2.gz VXQKDEGWUHNERV-HNAYVOBHSA-N 0 0 320.392 3.469 10 30 DGEERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C#N ZINC000367012030 267402842 /nfs/dbraw/zinc/40/28/42/267402842.db2.gz VXQKDEGWUHNERV-BEFAXECRSA-N 0 0 320.392 3.469 10 30 DGEERN N#Cc1ccc(C2=CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000378570587 268053538 /nfs/dbraw/zinc/05/35/38/268053538.db2.gz KQZTXRGBWWIXBJ-UHFFFAOYSA-N 0 0 304.349 3.193 10 30 DGEERN N#Cc1ccc(CSCC(=O)N2CCCC23CCC3)cc1 ZINC000365587687 268081700 /nfs/dbraw/zinc/08/17/00/268081700.db2.gz SVGCYBGAOONEMP-UHFFFAOYSA-N 0 0 300.427 3.337 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2ccc(Cl)s2)c1 ZINC000531384974 268275392 /nfs/dbraw/zinc/27/53/92/268275392.db2.gz BKBVLVVKZXWWAK-UHFFFAOYSA-N 0 0 304.802 3.175 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000531146029 268276898 /nfs/dbraw/zinc/27/68/98/268276898.db2.gz VJVHBRBVEXXYJU-QGZVFWFLSA-N 0 0 324.355 3.270 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000531392502 268277527 /nfs/dbraw/zinc/27/75/27/268277527.db2.gz QXQXBILNCVZYCT-UHFFFAOYSA-N 0 0 316.307 3.383 10 30 DGEERN N#Cc1ccccc1NC(=O)c1ncsc1Br ZINC000360923156 268279209 /nfs/dbraw/zinc/27/92/09/268279209.db2.gz FOQIBECCDHRGGI-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN N#Cc1ccnc(NC(=O)c2sccc2Br)c1 ZINC000357425354 268297417 /nfs/dbraw/zinc/29/74/17/268297417.db2.gz JYGYZYHIBQEIDW-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](n3ccnc3CC)C2)CCC1 ZINC000191346799 432252601 /nfs/dbraw/zinc/25/26/01/432252601.db2.gz UPVZPSHKMXJKOY-OAHLLOKOSA-N 0 0 301.434 3.355 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1SC(F)F ZINC000183060957 432254071 /nfs/dbraw/zinc/25/40/71/432254071.db2.gz VNDZYFRIXALWLY-VIFPVBQESA-N 0 0 302.346 3.060 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)NCc1ccc(Cl)cn1 ZINC000183067027 432254203 /nfs/dbraw/zinc/25/42/03/432254203.db2.gz SCXVJIKYBLRREZ-UHFFFAOYSA-N 0 0 300.749 3.237 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000168794053 287676944 /nfs/dbraw/zinc/67/69/44/287676944.db2.gz DZYXOUZSLOFLNI-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CCC(=O)OCC ZINC000270538970 432256774 /nfs/dbraw/zinc/25/67/74/432256774.db2.gz QOMOLLOGPJBCOM-OAHLLOKOSA-N 0 0 318.417 3.116 10 30 DGEERN N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151585150 432256958 /nfs/dbraw/zinc/25/69/58/432256958.db2.gz ORSIBQJFABDSDC-CVEARBPZSA-N 0 0 320.348 3.072 10 30 DGEERN C=C(C)Cn1c(N2Cc3ccccc3C2)nnc1[C@]1(C)CCCO1 ZINC000453458781 275418825 /nfs/dbraw/zinc/41/88/25/275418825.db2.gz ARZLMCLUCRGAGX-IBGZPJMESA-N 0 0 324.428 3.400 10 30 DGEERN CC(C)(C)[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1O ZINC000408194186 275843322 /nfs/dbraw/zinc/84/33/22/275843322.db2.gz HCOVDRMFMYEVQZ-RDJZCZTQSA-N 0 0 313.445 3.065 10 30 DGEERN C=CCC1(C(=O)NC2CCC3(CCOCC3)CC2)CCOCC1 ZINC000424715489 276882612 /nfs/dbraw/zinc/88/26/12/276882612.db2.gz MZYQAICWYPIUQA-UHFFFAOYSA-N 0 0 321.461 3.215 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000425569147 276920076 /nfs/dbraw/zinc/92/00/76/276920076.db2.gz XXZVXNHQUHHUPJ-VGWMRTNUSA-N 0 0 308.466 3.434 10 30 DGEERN COC(=O)[C@H]1CCN(CC#Cc2ccccc2)c2ccccc21 ZINC000192132153 277393265 /nfs/dbraw/zinc/39/32/65/277393265.db2.gz RZXQFJFQBSTWAR-SFHVURJKSA-N 0 0 305.377 3.205 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@@]2(C)CCCO2)n1CC(C)C ZINC000453483133 277774136 /nfs/dbraw/zinc/77/41/36/277774136.db2.gz SOEDTSGDNPIGMJ-QGZVFWFLSA-N 0 0 306.454 3.362 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC000460555460 277785068 /nfs/dbraw/zinc/78/50/68/277785068.db2.gz FFNHQOBDPGEMPW-HNNXBMFYSA-N 0 0 320.481 3.447 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCOCC1 ZINC000424746451 277825604 /nfs/dbraw/zinc/82/56/04/277825604.db2.gz XEDFLTWSPAJMCR-INIZCTEOSA-N 0 0 321.461 3.357 10 30 DGEERN N#Cc1ccc(N[C@H]2C[C@H]2c2cccc(Br)c2)nn1 ZINC000611240395 430567856 /nfs/dbraw/zinc/56/78/56/430567856.db2.gz GBCAYMYKKOJNEK-STQMWFEESA-N 0 0 315.174 3.079 10 30 DGEERN C=C(C)COCCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621280049 430601550 /nfs/dbraw/zinc/60/15/50/430601550.db2.gz KJNDABNAEQHLAX-UHFFFAOYSA-N 0 0 301.365 3.211 10 30 DGEERN N#CC1CCC(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000619651706 430596604 /nfs/dbraw/zinc/59/66/04/430596604.db2.gz JTTSCDXDDGNSME-UHFFFAOYSA-N 0 0 311.345 3.280 10 30 DGEERN C=CCOCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000619527624 430597185 /nfs/dbraw/zinc/59/71/85/430597185.db2.gz PKZIBUYVKXYNNB-UHFFFAOYSA-N 0 0 317.320 3.410 10 30 DGEERN N#Cc1nc(NC[C@H]2CCCn3ccnc32)ccc1C(F)(F)F ZINC000619697088 430597547 /nfs/dbraw/zinc/59/75/47/430597547.db2.gz BYMYCBUEKKCBKY-SNVBAGLBSA-N 0 0 321.306 3.158 10 30 DGEERN C=CCn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453435095 277894116 /nfs/dbraw/zinc/89/41/16/277894116.db2.gz GFRVHXPEPJLZKA-ZQIUZPCESA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453448869 277894164 /nfs/dbraw/zinc/89/41/64/277894164.db2.gz ZJYJBRRWJGFTKI-KDOFPFPSSA-N 0 0 318.465 3.362 10 30 DGEERN CC(C)c1ccc(C(=O)NC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000190483055 278030209 /nfs/dbraw/zinc/03/02/09/278030209.db2.gz MDAHQANFZNSAKN-UHFFFAOYSA-N 0 0 301.346 3.284 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(F)c(C#N)c1)C2 ZINC000120273969 278075493 /nfs/dbraw/zinc/07/54/93/278075493.db2.gz BWOVJICNLBYEAJ-UHFFFAOYSA-N 0 0 312.392 3.113 10 30 DGEERN CC1(C)CCCN(C(=O)c2cc3c(cc2O)CCCC3)[C@@H]1C#N ZINC000408414975 278213805 /nfs/dbraw/zinc/21/38/05/278213805.db2.gz MRFSEEXVBMOQMW-QGZVFWFLSA-N 0 0 312.413 3.425 10 30 DGEERN S=C(N/N=C/c1ccccc1Cl)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000000137182 431130226 /nfs/dbraw/zinc/13/02/26/431130226.db2.gz MZMUFDZSLYLRJO-PRRVCFHNSA-N 0 0 305.834 3.103 10 30 DGEERN Cn1cc(NC(=O)N2CCC3(C2)CCCCC3)c(C2CC2)n1 ZINC000329822067 279341454 /nfs/dbraw/zinc/34/14/54/279341454.db2.gz PVNXBTWUWFOWKX-UHFFFAOYSA-N 0 0 302.422 3.499 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1nc(-c2ccsc2)ns1 ZINC000109109480 431172111 /nfs/dbraw/zinc/17/21/11/431172111.db2.gz IKHLYVOERISCAB-SECBINFHSA-N 0 0 309.416 3.186 10 30 DGEERN C[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000109139380 431173384 /nfs/dbraw/zinc/17/33/84/431173384.db2.gz PRNZHNQRJPHRSF-CQSZACIVSA-N 0 0 314.429 3.482 10 30 DGEERN N#Cc1cccc(OCCCCC(=O)NC2(C#N)CCCC2)c1 ZINC000110717383 431192027 /nfs/dbraw/zinc/19/20/27/431192027.db2.gz QFWDXMPIFBMZGX-UHFFFAOYSA-N 0 0 311.385 3.060 10 30 DGEERN COc1cc(Br)ccc1C(=O)NC1(C#N)CCCC1 ZINC000111159848 431196674 /nfs/dbraw/zinc/19/66/74/431196674.db2.gz XEQVRSSLEMVSED-UHFFFAOYSA-N 0 0 323.190 3.024 10 30 DGEERN CC(C)N1C(=O)N(c2ccccc2)C[S@](=O)/C1=N\C(C)(C)C ZINC000038530136 279469289 /nfs/dbraw/zinc/46/92/89/279469289.db2.gz DSRZHUJBAONBBX-SLYOHQAMSA-N 0 0 321.446 3.198 10 30 DGEERN N#C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000108829835 431156210 /nfs/dbraw/zinc/15/62/10/431156210.db2.gz VGMDRSMBSYJUJP-LBPRGKRZSA-N 0 0 317.801 3.495 10 30 DGEERN Cc1cc(O[C@@H](C)C(=O)N[C@H](C#N)C2CC2)ccc1C(C)C ZINC000108830904 431156848 /nfs/dbraw/zinc/15/68/48/431156848.db2.gz LLGRPGCNHGOFNG-SUMWQHHRSA-N 0 0 300.402 3.304 10 30 DGEERN COc1ccc(CCCCCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108827417 431157309 /nfs/dbraw/zinc/15/73/09/431157309.db2.gz PAKTVKDBUHHCLX-KRWDZBQOSA-N 0 0 300.402 3.216 10 30 DGEERN N#C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C1CC1 ZINC000108842322 431158764 /nfs/dbraw/zinc/15/87/64/431158764.db2.gz QBJSZEAIXJFKAI-MRXNPFEDSA-N 0 0 312.394 3.359 10 30 DGEERN N#CC1(NC(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000043576981 279478488 /nfs/dbraw/zinc/47/84/88/279478488.db2.gz HLZCADBZXGXWOW-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN N#C[C@@H]1CN(c2cnc3c(n2)CCCC3)C[C@H]1c1ccccc1 ZINC000333607785 279486018 /nfs/dbraw/zinc/48/60/18/279486018.db2.gz XORVFSZGKQCJNV-CVEARBPZSA-N 0 0 304.397 3.099 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccsc1 ZINC000069973555 431235822 /nfs/dbraw/zinc/23/58/22/431235822.db2.gz BMIGAFQXYDGFQE-UHFFFAOYSA-N 0 0 320.458 3.073 10 30 DGEERN COc1cc(/C=N/c2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000003158534 431284521 /nfs/dbraw/zinc/28/45/21/431284521.db2.gz LOXBIQVUOISEOH-CXUHLZMHSA-N 0 0 302.286 3.068 10 30 DGEERN Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000003157338 431285374 /nfs/dbraw/zinc/28/53/74/431285374.db2.gz NUADHBSYOYATLI-UHFFFAOYSA-N 0 0 310.194 3.223 10 30 DGEERN COc1ccccc1CC1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000112560251 431286006 /nfs/dbraw/zinc/28/60/06/431286006.db2.gz ZKJOVAPZWNURLV-KRWDZBQOSA-N 0 0 311.429 3.393 10 30 DGEERN CC1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)COC1 ZINC000112615748 431290936 /nfs/dbraw/zinc/29/09/36/431290936.db2.gz YOPTWZXNIVUMRB-UHFFFAOYSA-N 0 0 322.364 3.117 10 30 DGEERN N#Cc1ccccc1S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114499859 431393605 /nfs/dbraw/zinc/39/36/05/431393605.db2.gz RPJXKSWEUINEIW-KRWDZBQOSA-N 0 0 316.426 3.069 10 30 DGEERN N#Cc1cnc(N2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000114709127 431406180 /nfs/dbraw/zinc/40/61/80/431406180.db2.gz VLJPBIAVZPAIDC-LLVKDONJSA-N 0 0 304.806 3.447 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115219324 431440129 /nfs/dbraw/zinc/44/01/29/431440129.db2.gz FPSPZHIFNZTRMY-AWEZNQCLSA-N 0 0 321.392 3.177 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000076650203 431558084 /nfs/dbraw/zinc/55/80/84/431558084.db2.gz SHYUJADDEKNYTP-MRXNPFEDSA-N 0 0 315.417 3.108 10 30 DGEERN C=CCCCN(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000076487095 431553894 /nfs/dbraw/zinc/55/38/94/431553894.db2.gz LWHVHBDKEDLGNP-UHFFFAOYSA-N 0 0 320.458 3.025 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000076485049 431553906 /nfs/dbraw/zinc/55/39/06/431553906.db2.gz LEHFYCMAEVSCAI-UHFFFAOYSA-N 0 0 301.430 3.468 10 30 DGEERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)n1C ZINC000449904068 280016727 /nfs/dbraw/zinc/01/67/27/280016727.db2.gz VDQULSMAZFZNCO-JSGCOSHPSA-N 0 0 311.360 3.054 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C(=O)C=C4CCCC[C@@]43CO)[C@@H]1CCC2=O ZINC000013737733 431565662 /nfs/dbraw/zinc/56/56/62/431565662.db2.gz NCWRHWYERRAYID-BHHKEHIISA-N 0 0 302.414 3.060 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1sccc1Br ZINC000076854596 431566139 /nfs/dbraw/zinc/56/61/39/431566139.db2.gz PJVQAOMYJDYGEF-UHFFFAOYSA-N 0 0 324.265 3.097 10 30 DGEERN C[C@H]1c2cccn2CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179821430 280131683 /nfs/dbraw/zinc/13/16/83/280131683.db2.gz ZNRUBSOWJFOEJO-AWEZNQCLSA-N 0 0 305.381 3.260 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000119547774 280315814 /nfs/dbraw/zinc/31/58/14/280315814.db2.gz PVPLUPHWRHPIEP-DNVCBOLYSA-N 0 0 320.392 3.469 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)c1cccc2ncccc21 ZINC000078241128 431650843 /nfs/dbraw/zinc/65/08/43/431650843.db2.gz QPIONWMHSGMCLD-UHFFFAOYSA-N 0 0 301.349 3.379 10 30 DGEERN Cc1cc(Cl)cc2c1N(C(=O)c1cc(C#N)cn1C)CCC2 ZINC000177397868 280504598 /nfs/dbraw/zinc/50/45/98/280504598.db2.gz MUWJSMLTYQCQKF-UHFFFAOYSA-N 0 0 313.788 3.452 10 30 DGEERN COCC(=O)O[C@H](c1ccccc1)/C1=C/C#CCCCCC#C1 ZINC000027868837 431695617 /nfs/dbraw/zinc/69/56/17/431695617.db2.gz OPMJQPBXLXNVOF-NXNYUAIASA-N 0 0 308.377 3.425 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000120811722 431733035 /nfs/dbraw/zinc/73/30/35/431733035.db2.gz SSHQRIGFGBIXED-OKILXGFUSA-N 0 0 320.458 3.012 10 30 DGEERN CCCN(CCc1cccc(F)c1)C(=O)c1cc(C#N)cn1C ZINC000081537527 431791240 /nfs/dbraw/zinc/79/12/40/431791240.db2.gz XPEHDUQJEPYHCW-UHFFFAOYSA-N 0 0 313.376 3.131 10 30 DGEERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000032801417 431794064 /nfs/dbraw/zinc/79/40/64/431794064.db2.gz KKWZWGLJUBWSPM-YVEFUNNKSA-N 0 0 319.364 3.405 10 30 DGEERN CC(C)Nc1cc(F)ccc1NC(=O)c1cc(C#N)cn1C ZINC000081782597 431798710 /nfs/dbraw/zinc/79/87/10/431798710.db2.gz YBVAQHDXXTVSOA-UHFFFAOYSA-N 0 0 300.337 3.108 10 30 DGEERN C=C[C@H](CC(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000121865425 431807607 /nfs/dbraw/zinc/80/76/07/431807607.db2.gz WCWCYXXCTKMBGL-MRXNPFEDSA-N 0 0 323.392 3.449 10 30 DGEERN CCO[C@@H](C)c1nc(CN(C)CCCSCC#N)cs1 ZINC000080629421 431773188 /nfs/dbraw/zinc/77/31/88/431773188.db2.gz RGAOFNCYGIWQRY-LBPRGKRZSA-N 0 0 313.492 3.319 10 30 DGEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000121368139 431778631 /nfs/dbraw/zinc/77/86/31/431778631.db2.gz ZXVGGJBKZIKRMG-VIFPVBQESA-N 0 0 308.263 3.420 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(F)cc1Br ZINC000081028453 431781910 /nfs/dbraw/zinc/78/19/10/431781910.db2.gz QEIZOMHKPNOXPE-UHFFFAOYSA-N 0 0 322.137 3.051 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000089200311 431860956 /nfs/dbraw/zinc/86/09/56/431860956.db2.gz DYHUMQVXODTMFM-UHFFFAOYSA-N 0 0 307.415 3.105 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@H](Sc2ncccc2C#N)C1 ZINC000085333698 431837661 /nfs/dbraw/zinc/83/76/61/431837661.db2.gz MHUBHRNNTDDAAS-LBPRGKRZSA-N 0 0 305.403 3.055 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1ccc(F)cc1CSC ZINC000124927809 431908255 /nfs/dbraw/zinc/90/82/55/431908255.db2.gz VJDPDPACFJUVPH-GFCCVEGCSA-N 0 0 311.422 3.286 10 30 DGEERN C=CCN(Cc1cc(OC)c2c(c1)OCCO2)CC(F)(F)F ZINC000092471862 431909938 /nfs/dbraw/zinc/90/99/38/431909938.db2.gz BTCFEFILYZWGCD-UHFFFAOYSA-N 0 0 317.307 3.017 10 30 DGEERN C=CCOc1ccccc1CN(CCOC)CC(F)(F)F ZINC000092645740 431910370 /nfs/dbraw/zinc/91/03/70/431910370.db2.gz DZDNPRZTRPJKNU-UHFFFAOYSA-N 0 0 303.324 3.262 10 30 DGEERN COc1ccc(COc2ccc([N+](=O)[O-])cc2OC)cc1C#N ZINC000125036663 431911961 /nfs/dbraw/zinc/91/19/61/431911961.db2.gz NEXAHRIFDSRULU-UHFFFAOYSA-N 0 0 314.297 3.063 10 30 DGEERN COc1ccc(CSc2nnc3n2CCCCC3)cc1C#N ZINC000125037624 431912059 /nfs/dbraw/zinc/91/20/59/431912059.db2.gz QIAAFRINULHQRG-UHFFFAOYSA-N 0 0 314.414 3.177 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(C)c(CC)o2)cc1 ZINC000125107961 431913387 /nfs/dbraw/zinc/91/33/87/431913387.db2.gz YHZUQDMIQCDNJI-UHFFFAOYSA-N 0 0 312.369 3.319 10 30 DGEERN CCn1ccnc1CSCCCOc1cccc(C#N)c1 ZINC000125297441 431920308 /nfs/dbraw/zinc/92/03/08/431920308.db2.gz VQFDEEGNOMFOHW-UHFFFAOYSA-N 0 0 301.415 3.477 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H](C)CCC(=O)OCC)c1 ZINC000089865623 431883019 /nfs/dbraw/zinc/88/30/19/431883019.db2.gz RYFGEHJOBSKLBR-CYBMUJFWSA-N 0 0 320.389 3.105 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090467328 431892332 /nfs/dbraw/zinc/89/23/32/431892332.db2.gz FMLODYHJZLLINX-INIZCTEOSA-N 0 0 309.325 3.348 10 30 DGEERN Cc1cc(C)c(C(=O)NCCOc2ccc(C#N)cc2)c(C)c1 ZINC000090617443 431893579 /nfs/dbraw/zinc/89/35/79/431893579.db2.gz ZJNBJPPDVHOJAK-UHFFFAOYSA-N 0 0 308.381 3.292 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc[nH]2)cc1 ZINC000091101431 431903185 /nfs/dbraw/zinc/90/31/85/431903185.db2.gz PKHMBKSHRFNHFY-UHFFFAOYSA-N 0 0 301.349 3.483 10 30 DGEERN CCCCN(Cc1ccccc1Cl)C(=O)Nc1ncnn1C ZINC000091185763 431903307 /nfs/dbraw/zinc/90/33/07/431903307.db2.gz HEBRCMONDJKBAA-UHFFFAOYSA-N 0 0 321.812 3.316 10 30 DGEERN Cc1cc(O[C@@H](C)C(=O)NC2(C#N)CCCC2)ccc1Cl ZINC000124827878 431905661 /nfs/dbraw/zinc/90/56/61/431905661.db2.gz PHHQUDUTVIKUIH-LBPRGKRZSA-N 0 0 306.793 3.368 10 30 DGEERN C=CCc1cc(CN2CCO[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000091978926 431905667 /nfs/dbraw/zinc/90/56/67/431905667.db2.gz GAEUWHACYPGLOA-IRXDYDNUSA-N 0 0 317.429 3.273 10 30 DGEERN O=S(=O)(c1ccc(/N=C\c2cccs2)cc1)N1CCCC1 ZINC000100235659 431980889 /nfs/dbraw/zinc/98/08/89/431980889.db2.gz UZSQFAAVDDGHGZ-VBKFSLOCSA-N 0 0 320.439 3.283 10 30 DGEERN N#Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000048652336 431929368 /nfs/dbraw/zinc/92/93/68/431929368.db2.gz UJWZBXAYICZBFF-UHFFFAOYSA-N 0 0 310.737 3.152 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000125783068 431936524 /nfs/dbraw/zinc/93/65/24/431936524.db2.gz RKOXKYDKJNKYCR-UHFFFAOYSA-N 0 0 306.406 3.202 10 30 DGEERN N#CCCN(CCOC(=O)Cc1ccccc1)c1ccccc1 ZINC000096328517 431944834 /nfs/dbraw/zinc/94/48/34/431944834.db2.gz XZKZUYDVSYNNJF-UHFFFAOYSA-N 0 0 308.381 3.193 10 30 DGEERN CC(=O)N(C)c1ccccc1NCCCOc1cccc(C#N)c1 ZINC000127961982 431984851 /nfs/dbraw/zinc/98/48/51/431984851.db2.gz LCQKTSCMVYQMCI-UHFFFAOYSA-N 0 0 323.396 3.422 10 30 DGEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(F)c(Cl)c1 ZINC000057995114 431995160 /nfs/dbraw/zinc/99/51/60/431995160.db2.gz IVFJXWYWASONBT-SNVBAGLBSA-N 0 0 309.772 3.485 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000058574556 431997136 /nfs/dbraw/zinc/99/71/36/431997136.db2.gz ZVZHGHXRUPRDLM-KRWDZBQOSA-N 0 0 324.355 3.104 10 30 DGEERN Cc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(C)s1 ZINC000102862291 431999341 /nfs/dbraw/zinc/99/93/41/431999341.db2.gz PGCOICPIKYVZOR-UHFFFAOYSA-N 0 0 310.375 3.177 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000128835159 432001079 /nfs/dbraw/zinc/00/10/79/432001079.db2.gz JJSCWTGKRXTTPQ-INIZCTEOSA-N 0 0 300.402 3.144 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)CC2CCCCCC2)cn1 ZINC000183690287 432316863 /nfs/dbraw/zinc/31/68/63/432316863.db2.gz OUEXMESLWROBTG-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000249058638 432335662 /nfs/dbraw/zinc/33/56/62/432335662.db2.gz OKRQRUAXZNHIOP-YCPHGPKFSA-N 0 0 300.402 3.363 10 30 DGEERN C#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000192191725 432342124 /nfs/dbraw/zinc/34/21/24/432342124.db2.gz JYRYZJDHFUNEHS-WBVHZDCISA-N 0 0 322.811 3.144 10 30 DGEERN CC#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248622961 432306908 /nfs/dbraw/zinc/30/69/08/432306908.db2.gz MJVBFJBLMQYOEL-WMZOPIPTSA-N 0 0 318.848 3.395 10 30 DGEERN COc1cc2c(cc1OC)CN(CC#Cc1ccccc1)CC2 ZINC000191911687 432312706 /nfs/dbraw/zinc/31/27/06/432312706.db2.gz HLXDBAVTVIAHSG-UHFFFAOYSA-N 0 0 307.393 3.114 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(Cl)c2)cn1 ZINC000183666376 432313981 /nfs/dbraw/zinc/31/39/81/432313981.db2.gz RXEKDJNNWMCBDS-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN CC[C@@H](C)CN(CC)C(=O)NCCOc1ccc(C#N)cc1 ZINC000174944359 432382097 /nfs/dbraw/zinc/38/20/97/432382097.db2.gz PPABLPGWCGWFGE-CQSZACIVSA-N 0 0 303.406 3.015 10 30 DGEERN COc1cccc2c1nc(NC(=O)c1ccc(C#N)cc1C)n2C ZINC000184466697 432394691 /nfs/dbraw/zinc/39/46/91/432394691.db2.gz DMYKTAJKBLDQQW-UHFFFAOYSA-N 0 0 320.352 3.014 10 30 DGEERN COc1ccc2c(c1)OCCC2=NOC(=O)c1ccccc1F ZINC000254395610 432402243 /nfs/dbraw/zinc/40/22/43/432402243.db2.gz PIKGTKAAMPKGRX-UHFFFAOYSA-N 0 0 315.300 3.178 10 30 DGEERN C[C@H]1CCCC(=NNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000254512575 432403807 /nfs/dbraw/zinc/40/38/07/432403807.db2.gz AKLZITCECTUCBB-JTQLQIEISA-N 0 0 300.811 3.184 10 30 DGEERN CCCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000254862573 432404658 /nfs/dbraw/zinc/40/46/58/432404658.db2.gz YGGRVJIJEMGVTG-UHFFFAOYSA-N 0 0 316.426 3.478 10 30 DGEERN Cc1nnc(N=NCc2c3ccccc3cc3ccccc32)n1N ZINC000254813263 432405337 /nfs/dbraw/zinc/40/53/37/432405337.db2.gz WPGCUAQTJBQMHB-UHFFFAOYSA-N 0 0 316.368 3.053 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1 ZINC000251498494 432369515 /nfs/dbraw/zinc/36/95/15/432369515.db2.gz DXWJRAWZJREBBP-DZOHQFGASA-N 0 0 317.429 3.330 10 30 DGEERN N#Cc1ccccc1NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175245128 432415303 /nfs/dbraw/zinc/41/53/03/432415303.db2.gz WBSNJNXPPAEDMA-UHFFFAOYSA-N 0 0 324.290 3.274 10 30 DGEERN N#CCc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000192837543 432420310 /nfs/dbraw/zinc/42/03/10/432420310.db2.gz OSVKQPBZHUPXOG-MRXNPFEDSA-N 0 0 307.353 3.398 10 30 DGEERN CC(C)C[C@H](C)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000184693696 432423076 /nfs/dbraw/zinc/42/30/76/432423076.db2.gz BLHNSWCZHYQDDF-INIZCTEOSA-N 0 0 313.445 3.279 10 30 DGEERN CCCN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000192884479 432425789 /nfs/dbraw/zinc/42/57/89/432425789.db2.gz ZHHSPFQMSMAESY-LJQANCHMSA-N 0 0 319.408 3.363 10 30 DGEERN CC(=O)c1cc2c(cc1NC(=O)c1ccc(C#N)cc1C)OCO2 ZINC000154397976 432496002 /nfs/dbraw/zinc/49/60/02/432496002.db2.gz ZFSRKNIBCBIUGF-UHFFFAOYSA-N 0 0 322.320 3.050 10 30 DGEERN C=C(C)[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(F)c1 ZINC000193864214 432506280 /nfs/dbraw/zinc/50/62/80/432506280.db2.gz KOJNFYSPTHSUCE-INIZCTEOSA-N 0 0 313.307 3.279 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccccc2OCC)CC1 ZINC000185075672 432464013 /nfs/dbraw/zinc/46/40/13/432464013.db2.gz AYEQWQQHDHMWPL-INIZCTEOSA-N 0 0 316.445 3.336 10 30 DGEERN Cc1csc(C2CCN(C(=O)c3cc(C#N)cs3)CC2)n1 ZINC000175819181 432468286 /nfs/dbraw/zinc/46/82/86/432468286.db2.gz MVQVICYYACGCLI-UHFFFAOYSA-N 0 0 317.439 3.405 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@H]2OC)nc2ccccc2c1=O ZINC000273093973 432550500 /nfs/dbraw/zinc/55/05/00/432550500.db2.gz JEFLKQSMHAMORK-HUUCEWRRSA-N 0 0 316.426 3.242 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000185988111 432551575 /nfs/dbraw/zinc/55/15/75/432551575.db2.gz JFSDUAVAVCPPRJ-HNNXBMFYSA-N 0 0 301.434 3.017 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000186048470 432554091 /nfs/dbraw/zinc/55/40/91/432554091.db2.gz XVIHAEGZMQCMOF-YPMHNXCESA-N 0 0 304.415 3.199 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@H]2OC)nc2sccc2c1=O ZINC000273142711 432556212 /nfs/dbraw/zinc/55/62/12/432556212.db2.gz UJSONUPFCIGQDX-NEPJUHHUSA-N 0 0 322.455 3.304 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000186148180 432561823 /nfs/dbraw/zinc/56/18/23/432561823.db2.gz MKVASBQDJQTWGD-UHFFFAOYSA-N 0 0 302.393 3.278 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000185607785 432515641 /nfs/dbraw/zinc/51/56/41/432515641.db2.gz FRLQQPPTGACTKK-RDJZCZTQSA-N 0 0 317.429 3.222 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000272530316 432518253 /nfs/dbraw/zinc/51/82/53/432518253.db2.gz OQSCJRKARCLXBB-UHFFFAOYSA-N 0 0 322.412 3.180 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N(C)c2cc(Cl)ccc2C#N)n1 ZINC000176425962 432520545 /nfs/dbraw/zinc/52/05/45/432520545.db2.gz USHAHQAMFWYLRB-GFCCVEGCSA-N 0 0 316.792 3.249 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000176444027 432523797 /nfs/dbraw/zinc/52/37/97/432523797.db2.gz CEXRTQGHIYSVNI-UHFFFAOYSA-N 0 0 322.195 3.176 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000176580876 432534882 /nfs/dbraw/zinc/53/48/82/432534882.db2.gz OLUKQKLHGJAFEO-QGZVFWFLSA-N 0 0 305.337 3.009 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000185899797 432542437 /nfs/dbraw/zinc/54/24/37/432542437.db2.gz KRMROGVAPCFFDD-JTQLQIEISA-N 0 0 320.241 3.139 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000185892073 432542754 /nfs/dbraw/zinc/54/27/54/432542754.db2.gz BXWURLAYYUCXSW-ZDUSSCGKSA-N 0 0 305.374 3.221 10 30 DGEERN C=CC[C@@H](CO)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000185917268 432544977 /nfs/dbraw/zinc/54/49/77/432544977.db2.gz GJDBKWSBSSGPNY-ZHZWZMEUSA-N 0 0 313.319 3.162 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCOc1ncccc1C(F)(F)F ZINC000185914958 432545125 /nfs/dbraw/zinc/54/51/25/432545125.db2.gz KSNCTVOOISLWHM-LLVKDONJSA-N 0 0 316.323 3.198 10 30 DGEERN Cc1csc([C@H]2CN(Cc3ccc(C#N)cc3C)CCO2)n1 ZINC000186193372 432567637 /nfs/dbraw/zinc/56/76/37/432567637.db2.gz YGRCOTGSIYAKHL-MRXNPFEDSA-N 0 0 313.426 3.205 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2cccc(O)c21 ZINC000155667372 432568375 /nfs/dbraw/zinc/56/83/75/432568375.db2.gz OCZDLKSRHYHVMF-CYBMUJFWSA-N 0 0 322.364 3.011 10 30 DGEERN CCc1nc(C2(NCc3ccc(C#N)s3)CCCC2)no1 ZINC000176959563 432569051 /nfs/dbraw/zinc/56/90/51/432569051.db2.gz QJTZYEMHFBCZEV-UHFFFAOYSA-N 0 0 302.403 3.124 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000273388697 432593680 /nfs/dbraw/zinc/59/36/80/432593680.db2.gz DRDSLLBEBPXVKN-VIFPVBQESA-N 0 0 322.714 3.417 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(F)ccc1Br ZINC000156325425 432594454 /nfs/dbraw/zinc/59/44/54/432594454.db2.gz NLSDJTLNNTZGGO-UHFFFAOYSA-N 0 0 322.137 3.051 10 30 DGEERN COCCN(C(=O)c1ccc(C#N)cc1C)c1ccc(C#N)cc1 ZINC000156430863 432597007 /nfs/dbraw/zinc/59/70/07/432597007.db2.gz IWGBSKLKIQKEPX-UHFFFAOYSA-N 0 0 319.364 3.032 10 30 DGEERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000177413191 432622551 /nfs/dbraw/zinc/62/25/51/432622551.db2.gz WVOSPJACQMDYEX-GFCCVEGCSA-N 0 0 315.804 3.253 10 30 DGEERN C[C@H]1Sc2ccccc2N(C(=O)c2cc(C#N)cn2C)[C@H]1C ZINC000177555860 432635938 /nfs/dbraw/zinc/63/59/38/432635938.db2.gz XGQHVPZNRHBJKE-NWDGAFQWSA-N 0 0 311.410 3.426 10 30 DGEERN CSc1ccc(CNC(=O)c2cccc(F)c2C#N)cc1 ZINC000187088522 432645136 /nfs/dbraw/zinc/64/51/36/432645136.db2.gz BBBVMMZOMURSGG-UHFFFAOYSA-N 0 0 300.358 3.349 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000177387771 432618562 /nfs/dbraw/zinc/61/85/62/432618562.db2.gz NTSVYVVOQRPTBM-UHFFFAOYSA-N 0 0 315.398 3.439 10 30 DGEERN CN(Cc1cccc(F)c1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187161383 432649708 /nfs/dbraw/zinc/64/97/08/432649708.db2.gz SPJBLVKUXXAYGH-UHFFFAOYSA-N 0 0 308.356 3.388 10 30 DGEERN C#CCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000187175717 432650076 /nfs/dbraw/zinc/65/00/76/432650076.db2.gz QDUYDNSRFYOAHG-SCLBCKFNSA-N 0 0 307.349 3.202 10 30 DGEERN CN(Cc1ccc(F)cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187180484 432650403 /nfs/dbraw/zinc/65/04/03/432650403.db2.gz MJWJRBHNBWIRFN-UHFFFAOYSA-N 0 0 308.356 3.388 10 30 DGEERN CN(CCOc1ccccc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187155606 432650465 /nfs/dbraw/zinc/65/04/65/432650465.db2.gz SQHTXJSWHUKRND-UHFFFAOYSA-N 0 0 320.392 3.127 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000274317764 432651088 /nfs/dbraw/zinc/65/10/88/432651088.db2.gz ADVWSQVXIRXTFL-CRAIPNDOSA-N 0 0 301.430 3.388 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC000274325630 432653290 /nfs/dbraw/zinc/65/32/90/432653290.db2.gz HFKARQTYVLHOEQ-LLVKDONJSA-N 0 0 303.328 3.006 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000274344078 432654213 /nfs/dbraw/zinc/65/42/13/432654213.db2.gz NGZGODDSLIOHEB-UONOGXRCSA-N 0 0 304.438 3.174 10 30 DGEERN CC(C)(C)C1CCC(C#N)(NC(=O)c2ncncc2Cl)CC1 ZINC000187296459 432656664 /nfs/dbraw/zinc/65/66/64/432656664.db2.gz CYDMPRATFOVSOG-UHFFFAOYSA-N 0 0 320.824 3.358 10 30 DGEERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(C#N)cn2C)c1 ZINC000177766086 432659339 /nfs/dbraw/zinc/65/93/39/432659339.db2.gz OJMMZAPFFXZTBQ-KRWDZBQOSA-N 0 0 307.397 3.491 10 30 DGEERN CC[C@@H](NC(=O)c1sccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000177796449 432661852 /nfs/dbraw/zinc/66/18/52/432661852.db2.gz NJGKCPPRQJBXCE-CYBMUJFWSA-N 0 0 315.354 3.409 10 30 DGEERN C/C(=C\C(=O)N[C@@H](C#N)c1ccc(Br)cc1)C1CC1 ZINC000264926794 432665351 /nfs/dbraw/zinc/66/53/51/432665351.db2.gz WVPXUVOENWMACN-PLWJUESGSA-N 0 0 319.202 3.486 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](CC)NC(=O)[C@@H](C)CC(=C)C ZINC000274435285 432666873 /nfs/dbraw/zinc/66/68/73/432666873.db2.gz IQSQDSNBJXAENQ-JYJNAYRXSA-N 0 0 308.466 3.202 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000187513188 432667179 /nfs/dbraw/zinc/66/71/79/432667179.db2.gz APWQCWFFXRPEIZ-UHFFFAOYSA-N 0 0 303.362 3.448 10 30 DGEERN C=CCCCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000274434132 432667656 /nfs/dbraw/zinc/66/76/56/432667656.db2.gz CDPNACQHXKXBBQ-CZUORRHYSA-N 0 0 300.402 3.367 10 30 DGEERN C=CC[C@@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051244 432699972 /nfs/dbraw/zinc/69/99/72/432699972.db2.gz OGZMPHQFORSLMM-FUHWJXTLSA-N 0 0 309.413 3.096 10 30 DGEERN N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[nH]2)c(F)c1 ZINC000188129680 432705464 /nfs/dbraw/zinc/70/54/64/432705464.db2.gz CENSTNQBENREDH-UHFFFAOYSA-N 0 0 301.346 3.363 10 30 DGEERN N#Cc1ccc(F)c(CSc2nc(C3CC3)cc(=O)[nH]2)c1 ZINC000188129649 432705623 /nfs/dbraw/zinc/70/56/23/432705623.db2.gz RICCKWNYMRMUEI-UHFFFAOYSA-N 0 0 301.346 3.363 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188175133 432709587 /nfs/dbraw/zinc/70/95/87/432709587.db2.gz AAYAYUHGSVCJIS-HNNXBMFYSA-N 0 0 320.408 3.481 10 30 DGEERN C=CCCCN(C)C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000274478364 432672490 /nfs/dbraw/zinc/67/24/90/432672490.db2.gz ZTRMSXOVPUXYBY-UHFFFAOYSA-N 0 0 304.316 3.177 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCN(C(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000274476332 432672996 /nfs/dbraw/zinc/67/29/96/432672996.db2.gz OQYBSZRRYFBDBV-HOTGVXAUSA-N 0 0 320.477 3.298 10 30 DGEERN C=C(C)[C@@H](NC(=O)NCC1(CCO)CC1)c1ccc(F)c(F)c1 ZINC000187834540 432688522 /nfs/dbraw/zinc/68/85/22/432688522.db2.gz NSFDBTGFDXMVCB-OAHLLOKOSA-N 0 0 324.371 3.044 10 30 DGEERN COc1cnccc1[C@@H](C)NC(=O)Nc1cccc(C#N)c1C ZINC000188489063 432728405 /nfs/dbraw/zinc/72/84/05/432728405.db2.gz KZXIBHSSGKSLQE-GFCCVEGCSA-N 0 0 310.357 3.153 10 30 DGEERN C[C@H](NC(=O)Nc1ncccc1OCCCC#N)C1CCCC1 ZINC000188668050 432737600 /nfs/dbraw/zinc/73/76/00/432737600.db2.gz GTKBNUGUOAUDQV-ZDUSSCGKSA-N 0 0 316.405 3.464 10 30 DGEERN N#CCCCOc1cccnc1NC(=O)NCCC1=CCCC1 ZINC000188722328 432741705 /nfs/dbraw/zinc/74/17/05/432741705.db2.gz VJHDMQRJWYYLSZ-UHFFFAOYSA-N 0 0 314.389 3.386 10 30 DGEERN C=CCC[C@H](C(=O)Nc1cnc(N(C)C)nc1)c1ccccc1 ZINC000188782240 432746153 /nfs/dbraw/zinc/74/61/53/432746153.db2.gz YQKSYFKOSLLJJE-INIZCTEOSA-N 0 0 310.401 3.231 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000188786236 432746230 /nfs/dbraw/zinc/74/62/30/432746230.db2.gz YHVFVRNDLOFRSY-FMKPAKJESA-N 0 0 300.402 3.411 10 30 DGEERN COc1ccc(CSc2nnc(C(C)(C)C)[nH]2)cc1C#N ZINC000162254233 432816784 /nfs/dbraw/zinc/81/67/84/432816784.db2.gz IUAXZYJSLBUEBE-UHFFFAOYSA-N 0 0 302.403 3.275 10 30 DGEERN C#CCC1(C(=O)N(C)CCc2ncc(C)s2)CCCCC1 ZINC000276609523 432822916 /nfs/dbraw/zinc/82/29/16/432822916.db2.gz GNOLLYGLFULVBN-UHFFFAOYSA-N 0 0 304.459 3.426 10 30 DGEERN N#Cc1ccccc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178906550 432787529 /nfs/dbraw/zinc/78/75/29/432787529.db2.gz MXNSJQRYPURSHY-MAUKXSAKSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1cccc(CNC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000154404434 292679310 /nfs/dbraw/zinc/67/93/10/292679310.db2.gz VYSLUBYDXUWVPT-UHFFFAOYSA-N 0 0 314.335 3.476 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCc1nnc[nH]1 ZINC000276405548 432805193 /nfs/dbraw/zinc/80/51/93/432805193.db2.gz LHFCGVKQONETNK-UHFFFAOYSA-N 0 0 313.405 3.021 10 30 DGEERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C#N)cc1C ZINC000154412225 292679778 /nfs/dbraw/zinc/67/97/78/292679778.db2.gz ORJXSZBZEAMSAS-UHFFFAOYSA-N 0 0 311.297 3.036 10 30 DGEERN COc1ccc2[nH]c(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2c1 ZINC000277564522 432861190 /nfs/dbraw/zinc/86/11/90/432861190.db2.gz PULTXAPOBICKAH-MRXNPFEDSA-N 0 0 311.385 3.331 10 30 DGEERN N#Cc1cc(NCc2nnc(C3CC3)o2)ccc1C(F)(F)F ZINC000277671744 432868585 /nfs/dbraw/zinc/86/85/85/432868585.db2.gz SUBRUUTUGVZNRO-UHFFFAOYSA-N 0 0 308.263 3.450 10 30 DGEERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2C=CCC2)on1 ZINC000329978133 432886287 /nfs/dbraw/zinc/88/62/87/432886287.db2.gz GZJGECPXFWEJQZ-KKUMJFAQSA-N 0 0 321.396 3.208 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C1 ZINC000330100660 432892929 /nfs/dbraw/zinc/89/29/29/432892929.db2.gz DPODXBOVPHIQHJ-FIRUKDTASA-N 0 0 318.421 3.363 10 30 DGEERN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCO[C@@H]2c2cccnc2)O1 ZINC000330108993 432893003 /nfs/dbraw/zinc/89/30/03/432893003.db2.gz ONGMJJQNQOMIEK-SOUVJXGZSA-N 0 0 304.390 3.073 10 30 DGEERN C=CCOc1ccc(CNC(=O)NCCCC(C)(F)F)cc1 ZINC000296741338 432925938 /nfs/dbraw/zinc/92/59/38/432925938.db2.gz XQYMIOXGBCMRAX-UHFFFAOYSA-N 0 0 312.360 3.486 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000296882452 432935167 /nfs/dbraw/zinc/93/51/67/432935167.db2.gz NGITZLATFCSBHU-AWEZNQCLSA-N 0 0 310.319 3.152 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000289348510 432946901 /nfs/dbraw/zinc/94/69/01/432946901.db2.gz LFSVFYLIKFFNHR-VAMGGRTRSA-N 0 0 305.421 3.444 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)Cc2ccccc2N(C)C)cc1 ZINC000297003070 432948084 /nfs/dbraw/zinc/94/80/84/432948084.db2.gz VCBAZNGSVBSSRJ-UHFFFAOYSA-N 0 0 321.424 3.076 10 30 DGEERN C=CC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000297009923 432948883 /nfs/dbraw/zinc/94/88/83/432948883.db2.gz GJVYPZQNCLAGSH-GJZGRUSLSA-N 0 0 308.372 3.038 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000330197632 432897010 /nfs/dbraw/zinc/89/70/10/432897010.db2.gz SBILZUOVJLVKPW-DDHJBXDOSA-N 0 0 308.344 3.036 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1CCOC[C@H]1OC ZINC000296480091 432912760 /nfs/dbraw/zinc/91/27/60/432912760.db2.gz YIRXTTMJIRGIPU-QZTJIDSGSA-N 0 0 317.429 3.033 10 30 DGEERN C=C1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000354390840 433056023 /nfs/dbraw/zinc/05/60/23/433056023.db2.gz XVGZFHCDAMVLBC-UHFFFAOYSA-N 0 0 301.777 3.318 10 30 DGEERN C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333392929 433053373 /nfs/dbraw/zinc/05/33/73/433053373.db2.gz DIBIHKTWGAJXGC-UWWPHRKUSA-N 0 0 318.442 3.069 10 30 DGEERN C=CCOc1ccc(CNc2ccc(-c3cncnc3)cn2)cc1 ZINC000341417720 433053434 /nfs/dbraw/zinc/05/34/34/433053434.db2.gz DRTCUDSFEUCVPD-UHFFFAOYSA-N 0 0 318.380 3.716 10 30 DGEERN C=CCNC(=O)c1ccc(N[C@H](C)CCc2ccc(C)o2)nc1 ZINC000361291236 433084050 /nfs/dbraw/zinc/08/40/50/433084050.db2.gz WQGGPLGDJIAWLV-CYBMUJFWSA-N 0 0 313.401 3.332 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@H]2CCCc3c(F)cc(F)cc32)C1=O ZINC000419967950 433089742 /nfs/dbraw/zinc/08/97/42/433089742.db2.gz PANZNVQOVHHGOF-CABCVRRESA-N 0 0 320.339 3.229 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@@H]2CCCc3c(F)cccc32)C1=O ZINC000419964574 433090386 /nfs/dbraw/zinc/09/03/86/433090386.db2.gz IVNCHMZOSPKXLU-LSDHHAIUSA-N 0 0 302.349 3.090 10 30 DGEERN C=CCOCCCC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000374533017 433210941 /nfs/dbraw/zinc/21/09/41/433210941.db2.gz DECYAYWMUPWNTG-UHFFFAOYSA-N 0 0 307.821 3.324 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000453432253 433178883 /nfs/dbraw/zinc/17/88/83/433178883.db2.gz BDSDWDJUIKTQCR-GJZGRUSLSA-N 0 0 316.449 3.475 10 30 DGEERN C=CCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(C)CCCO1 ZINC000453436146 433183395 /nfs/dbraw/zinc/18/33/95/433183395.db2.gz HMLIYERGYVRWIA-QAPCUYQASA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(N2CCC[C@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453445297 433189978 /nfs/dbraw/zinc/18/99/78/433189978.db2.gz UOPYSVRLYQOBIL-WMLDXEAASA-N 0 0 304.438 3.116 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425403247 433220986 /nfs/dbraw/zinc/22/09/86/433220986.db2.gz IGBQVHFYXRDJNM-QGZVFWFLSA-N 0 0 316.445 3.083 10 30 DGEERN N#Cc1cccc(Cl)c1NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374573510 433226077 /nfs/dbraw/zinc/22/60/77/433226077.db2.gz ZRUIFZYCQQJMDR-BBRMVZONSA-N 0 0 320.820 3.191 10 30 DGEERN C=CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000425413604 433230022 /nfs/dbraw/zinc/23/00/22/433230022.db2.gz DQDGSVNDLHKALF-UHFFFAOYSA-N 0 0 304.346 3.215 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccccc1 ZINC000361548539 433241773 /nfs/dbraw/zinc/24/17/73/433241773.db2.gz ZHGUDABNULZTAI-HZPDHXFCSA-N 0 0 302.418 3.249 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)Sc1ccccc1 ZINC000425444885 433246682 /nfs/dbraw/zinc/24/66/82/433246682.db2.gz MKEDUBRVLDQSNK-DZKIICNBSA-N 0 0 320.458 3.058 10 30 DGEERN C=C(C)[C@H](CC(=O)OCc1nnc(C(C)(C)C)s1)OCC ZINC000281178283 433269275 /nfs/dbraw/zinc/26/92/75/433269275.db2.gz LDDRMXOXDZLXBM-NSHDSACASA-N 0 0 312.435 3.250 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000281066613 433259070 /nfs/dbraw/zinc/25/90/70/433259070.db2.gz MEPRVVDWWPZLOR-NOLJZWGESA-N 0 0 300.402 3.366 10 30 DGEERN C=CCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000447933245 433324163 /nfs/dbraw/zinc/32/41/63/433324163.db2.gz VTPRSAJSOMLUPH-UHFFFAOYSA-N 0 0 308.230 3.379 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H]2CCc3ccccc3C2)CCOCC1 ZINC000425508774 433274111 /nfs/dbraw/zinc/27/41/11/433274111.db2.gz SLIAZCMKNNFOPE-SFHVURJKSA-N 0 0 313.441 3.375 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC000281366241 433289504 /nfs/dbraw/zinc/28/95/04/433289504.db2.gz KXKONXQTCZOKHU-AWXCJNTOSA-N 0 0 303.377 3.326 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000425563942 433301514 /nfs/dbraw/zinc/30/15/14/433301514.db2.gz KIVZSHDASXEQBR-UBDQQSCGSA-N 0 0 314.429 3.165 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413876128 433303568 /nfs/dbraw/zinc/30/35/68/433303568.db2.gz KDYBHNTYFXYNRP-OAHLLOKOSA-N 0 0 305.397 3.012 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000420907104 433305134 /nfs/dbraw/zinc/30/51/34/433305134.db2.gz SWRQBUQYJLVSAI-ZIAGYGMSSA-N 0 0 308.447 3.403 10 30 DGEERN C=CCCCNS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000447865780 433306662 /nfs/dbraw/zinc/30/66/62/433306662.db2.gz YJUUACQUNJAZJV-UHFFFAOYSA-N 0 0 308.428 3.055 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000281518507 433310473 /nfs/dbraw/zinc/31/04/73/433310473.db2.gz RJKNULWXGNASPV-GHJWDPDVSA-N 0 0 324.371 3.306 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(SCC)c1 ZINC000299260307 433359160 /nfs/dbraw/zinc/35/91/60/433359160.db2.gz DBNTYNRCQKSKSM-UHFFFAOYSA-N 0 0 304.337 3.384 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H](C)Cc1ccsc1 ZINC000425860014 433364408 /nfs/dbraw/zinc/36/44/08/433364408.db2.gz SMQZUEWCGVCKPA-KBMXLJTQSA-N 0 0 322.474 3.302 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2ccccc2c(OC)n1 ZINC000299345443 433364633 /nfs/dbraw/zinc/36/46/33/433364633.db2.gz MGAKMBBKGTYEIH-UHFFFAOYSA-N 0 0 324.302 3.434 10 30 DGEERN CC(C)n1ncc2c1[C@H](NC(=O)c1sccc1C#N)CCC2 ZINC000375156518 433375454 /nfs/dbraw/zinc/37/54/54/433375454.db2.gz BHELMFPWNWMLSQ-CYBMUJFWSA-N 0 0 314.414 3.205 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000299719636 433377206 /nfs/dbraw/zinc/37/72/06/433377206.db2.gz YRWIABNLUANDHB-UHFFFAOYSA-N 0 0 314.282 3.426 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCCC)cc1C ZINC000425634771 433330629 /nfs/dbraw/zinc/33/06/29/433330629.db2.gz OPANTYVXTDOPEH-YOEHRIQHSA-N 0 0 318.417 3.496 10 30 DGEERN C=CCCCNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000447959218 433332740 /nfs/dbraw/zinc/33/27/40/433332740.db2.gz NKLKQELGLBPNNW-CQSZACIVSA-N 0 0 307.825 3.184 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1NC(C)(C)C ZINC000281650480 433335930 /nfs/dbraw/zinc/33/59/30/433335930.db2.gz IMPHLDBNQTWSTO-UHFFFAOYSA-N 0 0 317.433 3.260 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000413988467 433340934 /nfs/dbraw/zinc/34/09/34/433340934.db2.gz OZSFFNPRDLEYRP-UXHICEINSA-N 0 0 323.436 3.284 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000448322305 433386400 /nfs/dbraw/zinc/38/64/00/433386400.db2.gz RNYFGFMJBNNDDL-UHFFFAOYSA-N 0 0 301.173 3.014 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NCCCc1nccs1 ZINC000291963147 433410966 /nfs/dbraw/zinc/41/09/66/433410966.db2.gz RQAJJAVCEAJKMG-UHFFFAOYSA-N 0 0 315.442 3.474 10 30 DGEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cccc(F)c2C#N)CC1 ZINC000301125938 433425063 /nfs/dbraw/zinc/42/50/63/433425063.db2.gz OEDAZXMQMBYLJU-CYBMUJFWSA-N 0 0 317.408 3.074 10 30 DGEERN C[C@@H](C(=O)N1c2ccccc2[C@@H](C)CC1(C)C)n1cnc(C#N)n1 ZINC000361891016 433439827 /nfs/dbraw/zinc/43/98/27/433439827.db2.gz ASLYYTGVISFHOW-STQMWFEESA-N 0 0 323.400 3.030 10 30 DGEERN CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccncc1C#N ZINC000375388680 433447466 /nfs/dbraw/zinc/44/74/66/433447466.db2.gz CTMHFKDJLSCKDQ-UHFFFAOYSA-N 0 0 317.396 3.412 10 30 DGEERN COc1ccccc1N1CCC[C@H](Nc2cccc(C#N)n2)C1 ZINC000301248362 433466463 /nfs/dbraw/zinc/46/64/63/433466463.db2.gz ACEFTCIENKXWMW-HNNXBMFYSA-N 0 0 308.385 3.043 10 30 DGEERN C=CCCOCCNC(=O)NCCc1c(C)oc2ccccc21 ZINC000361941577 433463519 /nfs/dbraw/zinc/46/35/19/433463519.db2.gz WFZCHEMUZZTISZ-UHFFFAOYSA-N 0 0 316.401 3.176 10 30 DGEERN Cc1ccnc(N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1C#N ZINC000334034272 292791410 /nfs/dbraw/zinc/79/14/10/292791410.db2.gz MUDQEJIQCHRIPD-GXTWGEPZSA-N 0 0 315.398 3.008 10 30 DGEERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(C#N)n1C ZINC000448662556 433478215 /nfs/dbraw/zinc/47/82/15/433478215.db2.gz CBGCDHUHOWHBJN-LLVKDONJSA-N 0 0 301.777 3.383 10 30 DGEERN CC(C)(C#N)CCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361986107 433485110 /nfs/dbraw/zinc/48/51/10/433485110.db2.gz PNAPMMFRMXRSOP-QGZVFWFLSA-N 0 0 302.418 3.096 10 30 DGEERN C=CCN(CCC#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000292215960 433511846 /nfs/dbraw/zinc/51/18/46/433511846.db2.gz OTFHJOJHQMCYNL-OAHLLOKOSA-N 0 0 303.793 3.235 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCc1ccccc1OC1CCCC1 ZINC000448740619 433523133 /nfs/dbraw/zinc/52/31/33/433523133.db2.gz VORNTHJAAQASPT-UHFFFAOYSA-N 0 0 323.396 3.148 10 30 DGEERN C=C(C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000454730585 433524136 /nfs/dbraw/zinc/52/41/36/433524136.db2.gz IJOTVDSTZMSPEY-JKSUJKDBSA-N 0 0 321.852 3.351 10 30 DGEERN N#Cc1cc(N[C@H]2CCCC[C@@H]2O)nc2ccc(Cl)cc12 ZINC000301393232 433534239 /nfs/dbraw/zinc/53/42/39/433534239.db2.gz CFKAVMGZAGUFQT-GJZGRUSLSA-N 0 0 301.777 3.475 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375575246 433495402 /nfs/dbraw/zinc/49/54/02/433495402.db2.gz VUOSQOLGPLZWGY-AWEZNQCLSA-N 0 0 301.390 3.031 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCCF ZINC000362163226 433553537 /nfs/dbraw/zinc/55/35/37/433553537.db2.gz SIJUNTLJMXPULO-UHFFFAOYSA-N 0 0 310.417 3.301 10 30 DGEERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C#N)n1C ZINC000448803069 433558462 /nfs/dbraw/zinc/55/84/62/433558462.db2.gz AFZRWVRVOBFUOK-CQSZACIVSA-N 0 0 309.413 3.383 10 30 DGEERN C=CCOc1ccc(CN2C(=O)[C@H](CC(C)C)N(C)C2=O)cc1 ZINC000292487708 433568999 /nfs/dbraw/zinc/56/89/99/433568999.db2.gz NZXOBROWTBTMGR-INIZCTEOSA-N 0 0 316.401 3.060 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000448822470 433569999 /nfs/dbraw/zinc/56/99/99/433569999.db2.gz KNWTYOLCKCGDKI-UHFFFAOYSA-N 0 0 315.804 3.258 10 30 DGEERN CCN(CCC#N)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301491117 433575452 /nfs/dbraw/zinc/57/54/52/433575452.db2.gz NCVRJKUAMNDCPB-UHFFFAOYSA-N 0 0 311.345 3.100 10 30 DGEERN C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2CC)cc(OC)c1OC ZINC000448837653 433576313 /nfs/dbraw/zinc/57/63/13/433576313.db2.gz TWIOQHKXAWNZPW-UKRRQHHQSA-N 0 0 303.402 3.095 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@@H]2OC)nnc1-c1ccccn1 ZINC000292590781 433579181 /nfs/dbraw/zinc/57/91/81/433579181.db2.gz GSEUESKHYVBLSP-KBPBESRZSA-N 0 0 316.430 3.186 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@H]2OC)nnc1-c1ccccn1 ZINC000292590783 433580538 /nfs/dbraw/zinc/58/05/38/433580538.db2.gz GSEUESKHYVBLSP-KGLIPLIRSA-N 0 0 316.430 3.186 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)CC1(F)F ZINC000421457724 433580881 /nfs/dbraw/zinc/58/08/81/433580881.db2.gz XKRPSRYNSYOPQD-CQSZACIVSA-N 0 0 310.300 3.155 10 30 DGEERN CO[C@H](C)c1nc(CN(C)c2ccc(Cl)c(C#N)n2)cs1 ZINC000301519225 433592345 /nfs/dbraw/zinc/59/23/45/433592345.db2.gz CRRMXGRLLMVYDI-SECBINFHSA-N 0 0 322.821 3.407 10 30 DGEERN CCCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCc2ccccc2C1 ZINC000448782966 433548499 /nfs/dbraw/zinc/54/84/99/433548499.db2.gz FUIJAOJXSODZDE-QGZVFWFLSA-N 0 0 321.424 3.306 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N1CCS[C@@H](C)C1 ZINC000282742803 433628490 /nfs/dbraw/zinc/62/84/90/433628490.db2.gz YEPVHQLKKWBMOP-ZDUSSCGKSA-N 0 0 300.431 3.073 10 30 DGEERN COc1ccc(COc2cc(C)ccc2NC(C)=O)cc1C#N ZINC000163007943 292862419 /nfs/dbraw/zinc/86/24/19/292862419.db2.gz HHYVFOMTHKEJDL-UHFFFAOYSA-N 0 0 310.353 3.413 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2ccc(N3CCC3)nc2)c1 ZINC000448884269 433596863 /nfs/dbraw/zinc/59/68/63/433596863.db2.gz PSERQGXWOSJBQB-UHFFFAOYSA-N 0 0 323.396 3.499 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCc2c1cccc2Br ZINC000421653818 433663743 /nfs/dbraw/zinc/66/37/43/433663743.db2.gz AAIQZMXMDXCEES-NSHDSACASA-N 0 0 324.218 3.319 10 30 DGEERN C=CCN(Cc1cc(C(=O)OCC)c(C)[nH]1)CC(F)(F)F ZINC000449019524 433673596 /nfs/dbraw/zinc/67/35/96/433673596.db2.gz NIAFHCBMHMQOCG-UHFFFAOYSA-N 0 0 304.312 3.050 10 30 DGEERN COC(=O)Nc1ccc(CNc2cc(C)nc(C)c2C#N)cc1 ZINC000301756535 433706306 /nfs/dbraw/zinc/70/63/06/433706306.db2.gz DUFNKOSHNUROKJ-UHFFFAOYSA-N 0 0 310.357 3.361 10 30 DGEERN C=CCC(F)(F)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000293378374 433717016 /nfs/dbraw/zinc/71/70/16/433717016.db2.gz ZTOYBJZBHMIEOJ-UHFFFAOYSA-N 0 0 300.374 3.192 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362456684 433728285 /nfs/dbraw/zinc/72/82/85/433728285.db2.gz WSKGQAMAVLMBFE-HZPDHXFCSA-N 0 0 302.418 3.253 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(F)(F)F ZINC000362505580 433731247 /nfs/dbraw/zinc/73/12/47/433731247.db2.gz HTVUQUGNFOEKKT-CYBMUJFWSA-N 0 0 314.307 3.030 10 30 DGEERN C=C(C)COc1cc(CN2CCO[C@@H](C3CC3)C2)ccc1OC ZINC000362510221 433732421 /nfs/dbraw/zinc/73/24/21/433732421.db2.gz KUMHYHHKIDLVOI-LJQANCHMSA-N 0 0 317.429 3.261 10 30 DGEERN C=CCc1ccc(OCC(=O)N2C[C@@H](C)CC[C@H]2C)c(OC)c1 ZINC000362514648 433733191 /nfs/dbraw/zinc/73/31/91/433733191.db2.gz YWQSMGCLNFLYNA-LSDHHAIUSA-N 0 0 317.429 3.450 10 30 DGEERN C=CCC[C@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)OCC ZINC000456637716 433756167 /nfs/dbraw/zinc/75/61/67/433756167.db2.gz ZNIRHUFZGHZNJF-ZDUSSCGKSA-N 0 0 307.390 3.032 10 30 DGEERN C=CCC[C@@H](NC(=O)C(C)(C)c1cccs1)C(=O)OCC ZINC000456637557 433756416 /nfs/dbraw/zinc/75/64/16/433756416.db2.gz ZJCFIOPYARWZAB-GFCCVEGCSA-N 0 0 309.431 3.040 10 30 DGEERN C=CCC[C@H](NC(=O)c1cccc(SC)c1)C(=O)OCC ZINC000456638458 433756545 /nfs/dbraw/zinc/75/65/45/433756545.db2.gz GZBWFLSIMBTDFQ-AWEZNQCLSA-N 0 0 307.415 3.036 10 30 DGEERN COc1cccc([C@@H]2C[C@@H](O)CN2c2ccc(F)cc2C#N)c1 ZINC000283673020 433762828 /nfs/dbraw/zinc/76/28/28/433762828.db2.gz YJMQARBSOLMJPI-QAPCUYQASA-N 0 0 312.344 3.018 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC000283425782 433724499 /nfs/dbraw/zinc/72/44/99/433724499.db2.gz XXYPQIRMQHVDCW-HUUCEWRRSA-N 0 0 312.417 3.135 10 30 DGEERN C=C[C@H](C)NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000362691396 433823247 /nfs/dbraw/zinc/82/32/47/433823247.db2.gz JRWSADKLXBATRF-QMMMGPOBSA-N 0 0 308.288 3.370 10 30 DGEERN Cc1nc(CC(C)C)sc1C(=O)N1CCC(C)(C#N)CC1 ZINC000356966451 433787984 /nfs/dbraw/zinc/78/79/84/433787984.db2.gz DDVOSFHKLXQMTG-UHFFFAOYSA-N 0 0 305.447 3.416 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000376738306 433809403 /nfs/dbraw/zinc/80/94/03/433809403.db2.gz SQGIANHADODITO-SZVBFZGTSA-N 0 0 317.404 3.373 10 30 DGEERN CSc1ccc(F)cc1CNC(=O)c1sccc1C#N ZINC000362659352 433812343 /nfs/dbraw/zinc/81/23/43/433812343.db2.gz UYLNWHHXRWOMAB-UHFFFAOYSA-N 0 0 306.387 3.411 10 30 DGEERN C=CC[C@@H](CO)Nc1ccnc2cc(Br)ccc21 ZINC000302143880 433812847 /nfs/dbraw/zinc/81/28/47/433812847.db2.gz QGHGUKBWVJGJGT-NSHDSACASA-N 0 0 307.191 3.346 10 30 DGEERN CCC[C@@]1(COC)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000302835209 433876730 /nfs/dbraw/zinc/87/67/30/433876730.db2.gz UWQIILUXDUDEMI-INIZCTEOSA-N 0 0 303.362 3.252 10 30 DGEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)c(Br)c1 ZINC000302618499 433827871 /nfs/dbraw/zinc/82/78/71/433827871.db2.gz PHJIQJDWEQUSBZ-IINYFYTJSA-N 0 0 309.207 3.240 10 30 DGEERN C=CC[C@H]1N(C(=O)Nc2nccc(N(C)C)n2)CCCC1(C)C ZINC000432410676 433828631 /nfs/dbraw/zinc/82/86/31/433828631.db2.gz QUJKVTHVCSWQLQ-CYBMUJFWSA-N 0 0 317.437 3.141 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000376993597 433844196 /nfs/dbraw/zinc/84/41/96/433844196.db2.gz PYAHZMKKXGGERT-GOSISDBHSA-N 0 0 323.440 3.155 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000377304026 433854437 /nfs/dbraw/zinc/85/44/37/433854437.db2.gz LMMBUQUSQQKONM-UHFFFAOYSA-N 0 0 305.381 3.295 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000362794778 433862549 /nfs/dbraw/zinc/86/25/49/433862549.db2.gz FUZOUMCLDWCLOE-IRXDYDNUSA-N 0 0 303.402 3.071 10 30 DGEERN CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1F ZINC000449906440 433865165 /nfs/dbraw/zinc/86/51/65/433865165.db2.gz YKEYRFCXFZWYPN-CQSZACIVSA-N 0 0 303.312 3.056 10 30 DGEERN Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C#N)n2C)c1C ZINC000449923765 433872290 /nfs/dbraw/zinc/87/22/90/433872290.db2.gz FYVPMNLGISRFFA-QGZVFWFLSA-N 0 0 307.397 3.491 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@@]12CCOC2)c1ccccc1 ZINC000422197072 433897466 /nfs/dbraw/zinc/89/74/66/433897466.db2.gz XXJCOCMCNBBKMO-WMZOPIPTSA-N 0 0 300.402 3.268 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377512584 433899376 /nfs/dbraw/zinc/89/93/76/433899376.db2.gz ZHJNVIZTOAHVJU-LMMKCTJWSA-N 0 0 317.429 3.252 10 30 DGEERN C=CCSc1ccccc1C(=O)NCCCCC(=O)OC ZINC000362839982 433881782 /nfs/dbraw/zinc/88/17/82/433881782.db2.gz FUBMFQOULVIEFQ-UHFFFAOYSA-N 0 0 307.415 3.038 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)c1cc(C#N)oc1C ZINC000436130769 433885326 /nfs/dbraw/zinc/88/53/26/433885326.db2.gz UKUSDVDWOKWBOZ-UHFFFAOYSA-N 0 0 304.733 3.052 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1sc(CC)nc1C ZINC000436378877 433952808 /nfs/dbraw/zinc/95/28/08/433952808.db2.gz NRXFNKADHWTZTG-YPMHNXCESA-N 0 0 309.435 3.117 10 30 DGEERN COc1cc(F)cc(C[C@H](C)NC(=O)c2sccc2C#N)c1 ZINC000457050216 433954665 /nfs/dbraw/zinc/95/46/65/433954665.db2.gz GWIYGKRDUXHIAD-JTQLQIEISA-N 0 0 318.373 3.128 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000450037985 433936982 /nfs/dbraw/zinc/93/69/82/433936982.db2.gz IIXSLDYDWVOUPS-UHFFFAOYSA-N 0 0 313.332 3.219 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000357419768 434009044 /nfs/dbraw/zinc/00/90/44/434009044.db2.gz ABHLJYIAFQQEII-UHFFFAOYSA-N 0 0 306.152 3.441 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(COC)c1 ZINC000285649559 434026441 /nfs/dbraw/zinc/02/64/41/434026441.db2.gz DRRADWVUOYCDPL-FQEVSTJZSA-N 0 0 321.420 3.126 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC000285570670 434000532 /nfs/dbraw/zinc/00/05/32/434000532.db2.gz AGHUQAKXCNICLH-QRVBRYPASA-N 0 0 313.441 3.333 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000378071174 434068620 /nfs/dbraw/zinc/06/86/20/434068620.db2.gz LPUVDXYJWNAYKU-HOTGVXAUSA-N 0 0 324.428 3.274 10 30 DGEERN C=CCC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)C(=O)OCC ZINC000416249377 434070543 /nfs/dbraw/zinc/07/05/43/434070543.db2.gz XJTKBPGTLQYNJU-NSHDSACASA-N 0 0 321.339 3.123 10 30 DGEERN C[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000450273259 434070806 /nfs/dbraw/zinc/07/08/06/434070806.db2.gz BCIMHOMCJTXYQG-GUYCJALGSA-N 0 0 323.352 3.433 10 30 DGEERN C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000450273257 434071159 /nfs/dbraw/zinc/07/11/59/434071159.db2.gz BCIMHOMCJTXYQG-DYVFJYSZSA-N 0 0 323.352 3.433 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1nnc(C(C)C)s1 ZINC000285815248 434075453 /nfs/dbraw/zinc/07/54/53/434075453.db2.gz VFYDUGURKLKBEM-AWEZNQCLSA-N 0 0 313.426 3.026 10 30 DGEERN CC(C)c1nnc([C@H]2CC23CCN(c2cccnc2C#N)CC3)o1 ZINC000378021614 434059770 /nfs/dbraw/zinc/05/97/70/434059770.db2.gz FLVZNLDHOONYSB-CYBMUJFWSA-N 0 0 323.400 3.234 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H](CO)C3CC3)c2c1 ZINC000357777314 434171271 /nfs/dbraw/zinc/17/12/71/434171271.db2.gz ZIXVAJIHHUDWBG-ZDUSSCGKSA-N 0 0 315.804 3.499 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416738227 434185441 /nfs/dbraw/zinc/18/54/41/434185441.db2.gz ZDPFVSMDGNAJEP-OAHLLOKOSA-N 0 0 317.433 3.155 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC2(C1)CCCC2 ZINC000364448794 434273405 /nfs/dbraw/zinc/27/34/05/434273405.db2.gz RHUDONIKUHSUIW-QGZVFWFLSA-N 0 0 312.413 3.364 10 30 DGEERN CC1(C#N)CCN(C(=O)N[C@H]2COc3c2cccc3Cl)CC1 ZINC000365021024 434288637 /nfs/dbraw/zinc/28/86/37/434288637.db2.gz ZWWUXTHKSLIVCL-ZDUSSCGKSA-N 0 0 319.792 3.109 10 30 DGEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000328616635 434292912 /nfs/dbraw/zinc/29/29/12/434292912.db2.gz BWTQWYGOLPNFBM-DZKIICNBSA-N 0 0 321.421 3.039 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000286869459 434294518 /nfs/dbraw/zinc/29/45/18/434294518.db2.gz DCFCFPQBZQMWGM-HOTGVXAUSA-N 0 0 320.383 3.356 10 30 DGEERN O=C(CCC1CCOCC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328658238 434294969 /nfs/dbraw/zinc/29/49/69/434294969.db2.gz QRHHXRRSCQXIRS-FUHWJXTLSA-N 0 0 318.417 3.465 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCc3ccccc31)CCC2 ZINC000328659426 434296832 /nfs/dbraw/zinc/29/68/32/434296832.db2.gz SSZWDQPLKRNEDU-DOTOQJQBSA-N 0 0 324.428 3.260 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(C)noc1CC ZINC000287025049 434301141 /nfs/dbraw/zinc/30/11/41/434301141.db2.gz IOSOZJSCZBCDCM-HNNXBMFYSA-N 0 0 311.385 3.302 10 30 DGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H](CCO)C1CCCCC1 ZINC000328767714 434308296 /nfs/dbraw/zinc/30/82/96/434308296.db2.gz HTTKWIWCGASQTR-GJZGRUSLSA-N 0 0 310.438 3.421 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000328964145 434334168 /nfs/dbraw/zinc/33/41/68/434334168.db2.gz ROOZBSSPZISQCJ-KCQAQPDRSA-N 0 0 303.406 3.035 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)NCCc1cccc2ccccc21 ZINC000457743811 434324862 /nfs/dbraw/zinc/32/48/62/434324862.db2.gz RBNMLJJSEFDHLI-KRWDZBQOSA-N 0 0 312.413 3.009 10 30 DGEERN C#Cc1ccc(CNC(=O)c2cn(C)nc2C2CCCCC2)cc1 ZINC000295360156 434327807 /nfs/dbraw/zinc/32/78/07/434327807.db2.gz FSDMRVNRQCMLTL-UHFFFAOYSA-N 0 0 321.424 3.379 10 30 DGEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CC=CCC1 ZINC000329129353 434361268 /nfs/dbraw/zinc/36/12/68/434361268.db2.gz VXBKSKAXLVKAFN-MCIONIFRSA-N 0 0 317.389 3.480 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Sc1ccccn1 ZINC000287533789 434385351 /nfs/dbraw/zinc/38/53/51/434385351.db2.gz VRASMMGAYZGKIC-RDJZCZTQSA-N 0 0 324.449 3.313 10 30 DGEERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCO[C@@H]3CCC[C@H]32)CCO1 ZINC000329290544 434385662 /nfs/dbraw/zinc/38/56/62/434385662.db2.gz QLEQOQKFQWDHPI-VQHPVUNQSA-N 0 0 324.465 3.138 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366144924 434345242 /nfs/dbraw/zinc/34/52/42/434345242.db2.gz TWSXABBZULCOSK-OAHLLOKOSA-N 0 0 316.449 3.045 10 30 DGEERN CCc1noc(C)c1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC ZINC000329075292 434353461 /nfs/dbraw/zinc/35/34/61/434353461.db2.gz BTBOLRYDQIIDEK-BXUZGUMPSA-N 0 0 318.377 3.128 10 30 DGEERN CN(C)c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000358576507 434399375 /nfs/dbraw/zinc/39/93/75/434399375.db2.gz KJRORUBHOVLEPR-UHFFFAOYSA-N 0 0 320.352 3.253 10 30 DGEERN Cn1c2ccc(NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2nc1C1CC1 ZINC000329398922 434407016 /nfs/dbraw/zinc/40/70/16/434407016.db2.gz XEAFKPVEFFVMAC-DAXOMENPSA-N 0 0 311.385 3.464 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000287602434 434408380 /nfs/dbraw/zinc/40/83/80/434408380.db2.gz YVVBTFXFQCKHBS-WMZOPIPTSA-N 0 0 321.424 3.419 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCc2ccsc2C1 ZINC000287608409 434408751 /nfs/dbraw/zinc/40/87/51/434408751.db2.gz ZCXPAAMOMYGTBN-QGZVFWFLSA-N 0 0 324.449 3.450 10 30 DGEERN C=CCOCC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000359448561 434419257 /nfs/dbraw/zinc/41/92/57/434419257.db2.gz XPTPYGCVVQELFI-QGZVFWFLSA-N 0 0 309.356 3.278 10 30 DGEERN CC(C)(CC#N)CNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000457987107 434428395 /nfs/dbraw/zinc/42/83/95/434428395.db2.gz JRQQMZWLSYFXNQ-UHFFFAOYSA-N 0 0 315.200 3.428 10 30 DGEERN C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)c1ccccn1 ZINC000329698045 434462462 /nfs/dbraw/zinc/46/24/62/434462462.db2.gz YRRSRZGVFLNNBZ-YOEHRIQHSA-N 0 0 317.433 3.338 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1sccc1Br ZINC000417620173 434467013 /nfs/dbraw/zinc/46/70/13/434467013.db2.gz CQEMOZMOFUXRCL-QMMMGPOBSA-N 0 0 304.209 3.020 10 30 DGEERN C=CCC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCC1 ZINC000450897876 434469578 /nfs/dbraw/zinc/46/95/78/434469578.db2.gz QHNAWAMEEBTNCQ-UHFFFAOYSA-N 0 0 321.384 3.214 10 30 DGEERN C=CCSCCNC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000458090766 434476937 /nfs/dbraw/zinc/47/69/37/434476937.db2.gz MPHWYWWQWWFUAU-UHFFFAOYSA-N 0 0 310.850 3.368 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000417692478 434503642 /nfs/dbraw/zinc/50/36/42/434503642.db2.gz AHCHBWCXDVGRMM-HUUCEWRRSA-N 0 0 308.466 3.084 10 30 DGEERN Cc1cc(Cl)cnc1NC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000329630690 434449212 /nfs/dbraw/zinc/44/92/12/434449212.db2.gz QZMOMQFWTHDVQO-ZDUSSCGKSA-N 0 0 323.824 3.337 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458025503 434449920 /nfs/dbraw/zinc/44/99/20/434449920.db2.gz KMIJDENJUAHCQE-IAGOWNOFSA-N 0 0 307.397 3.305 10 30 DGEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)cc1Br ZINC000408066818 434539769 /nfs/dbraw/zinc/53/97/69/434539769.db2.gz DGQQODVHSHOTBX-FZMZJTMJSA-N 0 0 321.218 3.488 10 30 DGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000408172441 434548469 /nfs/dbraw/zinc/54/84/69/434548469.db2.gz WINYIVWEDFJQIG-GUYCJALGSA-N 0 0 318.442 3.068 10 30 DGEERN Cc1c(Cl)cnc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000408193768 434549793 /nfs/dbraw/zinc/54/97/93/434549793.db2.gz DVTHPCNMNZLIOB-TZMCWYRMSA-N 0 0 307.825 3.148 10 30 DGEERN C=CCCCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000360241115 434557909 /nfs/dbraw/zinc/55/79/09/434557909.db2.gz KDDGNKLFEXJSAI-UHFFFAOYSA-N 0 0 314.776 3.692 10 30 DGEERN Cc1csc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1Br ZINC000408357249 434565839 /nfs/dbraw/zinc/56/58/39/434565839.db2.gz JWIFCTYVBGNFLC-BDAKNGLRSA-N 0 0 313.220 3.241 10 30 DGEERN Cc1cc(C#N)nc(NCc2cccc(Oc3ccccc3)c2)n1 ZINC000439094836 434566136 /nfs/dbraw/zinc/56/61/36/434566136.db2.gz CWOAGMFFLPADAW-UHFFFAOYSA-N 0 0 316.364 4.061 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000408327217 434564223 /nfs/dbraw/zinc/56/42/23/434564223.db2.gz AGSRYUGBSIHGGC-BBRMVZONSA-N 0 0 307.397 3.469 10 30 DGEERN Cc1c(Cl)cnc(N2CCCC[C@@H]2c2cnn(C)c2)c1C#N ZINC000408455748 434579266 /nfs/dbraw/zinc/57/92/66/434579266.db2.gz DXSYMFALMUYNDC-OAHLLOKOSA-N 0 0 315.808 3.380 10 30 DGEERN CC[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCC[C@H]3C#N)sc2C1 ZINC000408424646 434574539 /nfs/dbraw/zinc/57/45/39/434574539.db2.gz FVWAYPOSGBHUEO-GRYCIOLGSA-N 0 0 318.446 3.472 10 30 DGEERN N#Cc1c(F)cc(C(=O)N2CCOC3(CCCCC3)C2)cc1F ZINC000408524121 434586820 /nfs/dbraw/zinc/58/68/20/434586820.db2.gz YCQJKYPATJPUPO-UHFFFAOYSA-N 0 0 320.339 3.012 10 30 DGEERN Cc1nnc([C@@H]2CC23CCN(c2ccc(C#N)cc2F)CC3)o1 ZINC000369171328 434590510 /nfs/dbraw/zinc/59/05/10/434590510.db2.gz HTEIVNKALGRPMS-ZDUSSCGKSA-N 0 0 312.348 3.163 10 30 DGEERN O=C(N[C@@H]1COc2ccccc21)N1CCOC[C@H]1c1ccccc1 ZINC000329816610 295385846 /nfs/dbraw/zinc/38/58/46/295385846.db2.gz VZZABXJRAJLTLY-SJORKVTESA-N 0 0 324.380 3.108 10 30 DGEERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330067641 295386261 /nfs/dbraw/zinc/38/62/61/295386261.db2.gz FTOLNSBCDOJKID-DODZYUBVSA-N 0 0 314.429 3.084 10 30 DGEERN O=C(N[C@H]1CCCNC1=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000329513761 295386624 /nfs/dbraw/zinc/38/66/24/295386624.db2.gz LNTXJUUVRLWSRY-JQWIXIFHSA-N 0 0 308.765 3.282 10 30 DGEERN C#CCCCCNC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000370432733 434614114 /nfs/dbraw/zinc/61/41/14/434614114.db2.gz GRDZTXZZJNATQJ-UHFFFAOYSA-N 0 0 304.821 3.327 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000410069248 434632211 /nfs/dbraw/zinc/63/22/11/434632211.db2.gz CHJRWVPUSCHFRH-KRWDZBQOSA-N 0 0 317.429 3.313 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000370005694 434606592 /nfs/dbraw/zinc/60/65/92/434606592.db2.gz ILQUWKFIHDQESB-SFHVURJKSA-N 0 0 314.429 3.354 10 30 DGEERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000370159788 434610154 /nfs/dbraw/zinc/61/01/54/434610154.db2.gz GYFGZPLBBHBWJQ-AWEZNQCLSA-N 0 0 322.412 3.343 10 30 DGEERN CSCCCC(=O)Nc1ccc(Br)c(C#N)c1 ZINC000410993008 434694910 /nfs/dbraw/zinc/69/49/10/434694910.db2.gz YBTAOTPVBQXMQD-UHFFFAOYSA-N 0 0 313.220 3.402 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCO[C@@H](CC)C1 ZINC000424250195 434666869 /nfs/dbraw/zinc/66/68/69/434666869.db2.gz PILCOSQFZFDGSE-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1cc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)nn1 ZINC000424297699 434683308 /nfs/dbraw/zinc/68/33/08/434683308.db2.gz RDTQMOUVSAAWOL-KRWDZBQOSA-N 0 0 300.381 3.153 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000371803877 434753516 /nfs/dbraw/zinc/75/35/16/434753516.db2.gz SDMXZJVLXMYTPU-AWEZNQCLSA-N 0 0 316.449 3.419 10 30 DGEERN C=CCC1(c2nc(Cc3csc(CC)n3)no2)CCOCC1 ZINC000424346870 434706062 /nfs/dbraw/zinc/70/60/62/434706062.db2.gz QDILWLPODQKWOI-UHFFFAOYSA-N 0 0 319.430 3.304 10 30 DGEERN CC[C@@H]1C[C@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000452778926 434712069 /nfs/dbraw/zinc/71/20/69/434712069.db2.gz RRPFSDLNBNRJDO-KMFMINBZSA-N 0 0 300.402 3.124 10 30 DGEERN C=CCN(C)c1nnc([C@@H]2CCCS2)n1C[C@H]1CCCCO1 ZINC000424376695 434715267 /nfs/dbraw/zinc/71/52/67/434715267.db2.gz LGLSHFXUFYMCKN-KGLIPLIRSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCSc1ccccc1C(=O)NCC1(CF)CCOCC1 ZINC000452793055 434715923 /nfs/dbraw/zinc/71/59/23/434715923.db2.gz FRLSRSTVJOANNV-UHFFFAOYSA-N 0 0 323.433 3.461 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC1(CC(=O)OC)CC1 ZINC000440579769 434717958 /nfs/dbraw/zinc/71/79/58/434717958.db2.gz SPZXOYFUYVYBEZ-UHFFFAOYSA-N 0 0 305.330 3.045 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000371666255 434734650 /nfs/dbraw/zinc/73/46/50/434734650.db2.gz SPFCWOJNRQYXES-XLIONFOSSA-N 0 0 308.425 3.433 10 30 DGEERN C=CCN(CC=C)C(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411161159 434736304 /nfs/dbraw/zinc/73/63/04/434736304.db2.gz YGPHLWPLCBGCQT-UHFFFAOYSA-N 0 0 306.793 3.096 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CCC(C)C)C1CCCC1 ZINC000459987999 434737684 /nfs/dbraw/zinc/73/76/84/434737684.db2.gz ATLJRJQBJODTME-UHFFFAOYSA-N 0 0 308.466 3.228 10 30 DGEERN CS[C@@H]1CCCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188823364 295636295 /nfs/dbraw/zinc/63/62/95/295636295.db2.gz LXWWUZQKSUMXLR-MRXNPFEDSA-N 0 0 314.454 3.334 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(CC)CC1CC1 ZINC000460812640 434771422 /nfs/dbraw/zinc/77/14/22/434771422.db2.gz XUEKMQRYPKERDT-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)c2ccc(F)cc2)CCOCC1 ZINC000424607282 434756929 /nfs/dbraw/zinc/75/69/29/434756929.db2.gz ZVZHOTYCGMIMPE-CQSZACIVSA-N 0 0 305.393 3.418 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000452922842 434757772 /nfs/dbraw/zinc/75/77/72/434757772.db2.gz KWWPMJGOMSDTBS-IXDOHACOSA-N 0 0 317.429 3.427 10 30 DGEERN CN(Cc1cc(F)cc(F)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000440998873 434759245 /nfs/dbraw/zinc/75/92/45/434759245.db2.gz ALSGBCSZTFMSAT-UHFFFAOYSA-N 0 0 321.371 3.436 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000452941806 434761501 /nfs/dbraw/zinc/76/15/01/434761501.db2.gz GSTRYVNVOQSGMR-KSZLIROESA-N 0 0 301.430 3.351 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CCOCC1 ZINC000424687063 434780092 /nfs/dbraw/zinc/78/00/92/434780092.db2.gz JCQVTSCMGBBFHL-MRXNPFEDSA-N 0 0 317.429 3.251 10 30 DGEERN C[C@@H]1CSc2ccccc2N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193716436 297192826 /nfs/dbraw/zinc/19/28/26/297192826.db2.gz SYOWGMUSDOLFIU-LBPRGKRZSA-N 0 0 309.394 3.342 10 30 DGEERN C=CC[C@@H](C)NC(=O)Cc1noc2ccc(Br)cc12 ZINC000424678023 434777177 /nfs/dbraw/zinc/77/71/77/434777177.db2.gz RCQYOTACKPSDRB-SECBINFHSA-N 0 0 323.190 3.214 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)Cc2cccs2)CCOCC1 ZINC000424684095 434779686 /nfs/dbraw/zinc/77/96/86/434779686.db2.gz JINVHNSNIDBFDI-AWEZNQCLSA-N 0 0 307.459 3.416 10 30 DGEERN C=CCC1(C(=O)NCC2(CCOCC)CCCC2)CCOCC1 ZINC000424725614 434787533 /nfs/dbraw/zinc/78/75/33/434787533.db2.gz HMPFPEKAGAQLKI-UHFFFAOYSA-N 0 0 323.477 3.463 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(Cl)cc2F)CCOCC1 ZINC000424798779 434804727 /nfs/dbraw/zinc/80/47/27/434804727.db2.gz SXLFGAFTKKGOGV-UHFFFAOYSA-N 0 0 311.784 3.468 10 30 DGEERN C=CCC1(C(=O)NCc2ccnc(SCC)c2)CCOCC1 ZINC000424785496 434802608 /nfs/dbraw/zinc/80/26/08/434802608.db2.gz FJLLRYLBYYWWIO-UHFFFAOYSA-N 0 0 320.458 3.183 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CCOCC1 ZINC000424790917 434804201 /nfs/dbraw/zinc/80/42/01/434804201.db2.gz PXJBHGLKJSMBDJ-IRXDYDNUSA-N 0 0 323.477 3.459 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CCOCC1 ZINC000424739829 434790805 /nfs/dbraw/zinc/79/08/05/434790805.db2.gz CCGWVSJXEUYZLS-LSDHHAIUSA-N 0 0 309.450 3.069 10 30 DGEERN C=CC[C@H]1N(CC(=O)Nc2nc(C)cs2)CCCC1(C)C ZINC000444773376 434791147 /nfs/dbraw/zinc/79/11/47/434791147.db2.gz CXNKFDXAZBEGQN-CYBMUJFWSA-N 0 0 307.463 3.457 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446461297 434862597 /nfs/dbraw/zinc/86/25/97/434862597.db2.gz FEJJAXFMMNXPLG-JQWIXIFHSA-N 0 0 318.343 3.068 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)CCOCC1 ZINC000424805314 434806999 /nfs/dbraw/zinc/80/69/99/434806999.db2.gz BDWNCAJYOOZBKW-NWDGAFQWSA-N 0 0 305.340 3.159 10 30 DGEERN C=CCC1(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000424829603 434811768 /nfs/dbraw/zinc/81/17/68/434811768.db2.gz VVKPYYITAUVITK-MUJYYYPQSA-N 0 0 309.450 3.069 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424831746 434812690 /nfs/dbraw/zinc/81/26/90/434812690.db2.gz IMFSXZRCDJNHRL-KGLIPLIRSA-N 0 0 309.381 3.205 10 30 DGEERN COC1([C@H](C)Nc2cccc(OCCCC#N)c2)CCOCC1 ZINC000453160890 434819127 /nfs/dbraw/zinc/81/91/27/434819127.db2.gz HAEWRECSFGMKCX-HNNXBMFYSA-N 0 0 318.417 3.365 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)COC ZINC000411710931 434820718 /nfs/dbraw/zinc/82/07/18/434820718.db2.gz OTRVTQWMWMZVDZ-UHFFFAOYSA-N 0 0 300.402 3.136 10 30 DGEERN C=CCC1(C(=O)N2CC3(CCOCC3)[C@H]2C(C)C)CCOCC1 ZINC000424880581 434823200 /nfs/dbraw/zinc/82/32/00/434823200.db2.gz MDVDIUMGVHBWGN-MRXNPFEDSA-N 0 0 321.461 3.023 10 30 DGEERN C=CCn1cc(CNC(=O)c2ccc(C(C)(C)CC)cc2)nn1 ZINC000424908762 434827950 /nfs/dbraw/zinc/82/79/50/434827950.db2.gz QJBATLYFFUJYIO-UHFFFAOYSA-N 0 0 312.417 3.082 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)Cc1ccccc1C ZINC000424925244 434829255 /nfs/dbraw/zinc/82/92/55/434829255.db2.gz OCKIXCYVGNOTKD-SZMVWBNQSA-N 0 0 301.430 3.271 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(Cl)cccc1Cl ZINC000424929449 434829318 /nfs/dbraw/zinc/82/93/18/434829318.db2.gz BJPRWKSBIIQYGK-CABZTGNLSA-N 0 0 300.185 3.314 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2ccccc2F)o1 ZINC000424918864 434829380 /nfs/dbraw/zinc/82/93/80/434829380.db2.gz VZAVMPNXXALOGJ-WFASDCNBSA-N 0 0 315.344 3.407 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccccc1Cl ZINC000424920220 434829395 /nfs/dbraw/zinc/82/93/95/434829395.db2.gz YWGRZUZDDWYCEG-AAEUAGOBSA-N 0 0 311.834 3.139 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]cc1-c1ccc(C)s1 ZINC000424926448 434829482 /nfs/dbraw/zinc/82/94/82/434829482.db2.gz SMFGMHXWWGSMBN-WFASDCNBSA-N 0 0 316.426 3.373 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)c2ccccc2n1 ZINC000424926528 434829491 /nfs/dbraw/zinc/82/94/91/434829491.db2.gz SXIQTNZYTMGMRZ-ZBEGNZNMSA-N 0 0 316.788 3.209 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000424932857 434829713 /nfs/dbraw/zinc/82/97/13/434829713.db2.gz OIPNLHQCEBQBHJ-WFASDCNBSA-N 0 0 307.821 3.325 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(SCC)cc1 ZINC000424930479 434829933 /nfs/dbraw/zinc/82/99/33/434829933.db2.gz FWPUMOLEFNYDHM-HOCLYGCPSA-N 0 0 305.443 3.048 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Br)c1C ZINC000424935153 434829974 /nfs/dbraw/zinc/82/99/74/434829974.db2.gz WYGSQVWPDVICBW-FZMZJTMJSA-N 0 0 324.218 3.078 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000424930911 434830064 /nfs/dbraw/zinc/83/00/64/434830064.db2.gz HWMWTJPBAWYOSU-KSZLIROESA-N 0 0 301.430 3.209 10 30 DGEERN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000521318642 434879492 /nfs/dbraw/zinc/87/94/92/434879492.db2.gz JYFYVRIMBYCUMR-RDJZCZTQSA-N 0 0 324.428 3.340 10 30 DGEERN C=CCOc1ccc(CNc2ncnc3c(F)cccc23)cc1 ZINC000553266402 434884476 /nfs/dbraw/zinc/88/44/76/434884476.db2.gz CMYJGDAHOUVJAI-UHFFFAOYSA-N 0 0 309.344 3.946 10 30 DGEERN C=CCN(CC=C)c1nnc(CCc2ccco2)n1CC(=C)C ZINC000460947484 434866236 /nfs/dbraw/zinc/86/62/36/434866236.db2.gz HAQUDRXECIXFRZ-UHFFFAOYSA-N 0 0 312.417 3.411 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000520934276 434866686 /nfs/dbraw/zinc/86/66/86/434866686.db2.gz LHPBKGAIBNBPCY-KRWDZBQOSA-N 0 0 322.412 3.394 10 30 DGEERN C=C(C)Cn1c(CC2CCCC2)nnc1N(C)C1CCOCC1 ZINC000555187663 434963889 /nfs/dbraw/zinc/96/38/89/434963889.db2.gz IJDFTNKABGNCJI-UHFFFAOYSA-N 0 0 318.465 3.202 10 30 DGEERN COC(=O)c1ccc(OC(F)(F)F)c(Br)c1C#N ZINC000575383469 435033541 /nfs/dbraw/zinc/03/35/41/435033541.db2.gz JQRHEZQHAQCFQZ-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@H]2C[C@]2(C)Br)c1 ZINC000528162973 435020525 /nfs/dbraw/zinc/02/05/25/435020525.db2.gz CFXSDVVUFKYUJN-OCCSQVGLSA-N 0 0 310.191 3.363 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000529198893 435033838 /nfs/dbraw/zinc/03/38/38/435033838.db2.gz LLDPZTQKXBQVKJ-HNNXBMFYSA-N 0 0 310.401 3.065 10 30 DGEERN CCOC(=O)Cc1c(CC)ccc(OC(F)(F)F)c1C#N ZINC000575388946 435034195 /nfs/dbraw/zinc/03/41/95/435034195.db2.gz MJPVPNYYXVOWPH-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000575345185 435030193 /nfs/dbraw/zinc/03/01/93/435030193.db2.gz DKLKGEUSJZQXBI-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575345214 435030586 /nfs/dbraw/zinc/03/05/86/435030586.db2.gz JIQTUVNQWZIPII-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000528939742 435031044 /nfs/dbraw/zinc/03/10/44/435031044.db2.gz RNGRIHOCTVICPD-FOCJUVANSA-N 0 0 304.390 3.185 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)c1 ZINC000528967313 435031136 /nfs/dbraw/zinc/03/11/36/435031136.db2.gz ZTYSVXAIUFFQPF-SCLBCKFNSA-N 0 0 316.401 3.331 10 30 DGEERN COC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1C(F)(F)F ZINC000575379449 435031690 /nfs/dbraw/zinc/03/16/90/435031690.db2.gz IDHBZUSFNFPAGF-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN COC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575380077 435032437 /nfs/dbraw/zinc/03/24/37/435032437.db2.gz OEJHHZBGRSHXCE-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)c(C(F)(F)F)cc1C#N ZINC000575387148 435034508 /nfs/dbraw/zinc/03/45/08/435034508.db2.gz XFYHYTJWPORWMQ-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464379248 434986463 /nfs/dbraw/zinc/98/64/63/434986463.db2.gz CWQSRNMHOSFJEU-OLZOCXBDSA-N 0 0 322.371 3.342 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)Nc2ccccc2F)no1 ZINC000574556494 434987043 /nfs/dbraw/zinc/98/70/43/434987043.db2.gz UCRTVQBOZCXMDA-LLVKDONJSA-N 0 0 303.337 3.460 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)c(C(F)F)c1 ZINC000575385180 435034551 /nfs/dbraw/zinc/03/45/51/435034551.db2.gz AIRGNBBCRXKBPW-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000464758384 434998667 /nfs/dbraw/zinc/99/86/67/434998667.db2.gz XSNMCRYDQXYUGY-DOMZBBRYSA-N 0 0 304.390 3.125 10 30 DGEERN CCOC(=O)Cc1c(OC(F)F)ccc(C#N)c1C(F)(F)F ZINC000575386921 435034633 /nfs/dbraw/zinc/03/46/33/435034633.db2.gz PZECKJGIZUPATQ-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN C=CCCCNC(=O)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000574755541 435002101 /nfs/dbraw/zinc/00/21/01/435002101.db2.gz VBLMBAJWOAAOTP-UHFFFAOYSA-N 0 0 323.481 3.023 10 30 DGEERN COC(=O)c1c(Br)cc(OC(F)(F)F)cc1C#N ZINC000575383346 435033174 /nfs/dbraw/zinc/03/31/74/435033174.db2.gz BFURJAFRPFFTDC-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN COC(=O)c1cc(C#N)c(Br)cc1OC(F)(F)F ZINC000575383513 435033194 /nfs/dbraw/zinc/03/31/94/435033194.db2.gz NBERZJQMUSSTQT-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1OC(F)(F)F ZINC000575383300 435033208 /nfs/dbraw/zinc/03/32/08/435033208.db2.gz ODFZUUFFHWMMHR-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(Cl)c1C#N ZINC000575383211 435033291 /nfs/dbraw/zinc/03/32/91/435033291.db2.gz IZNHHLQOGWTZPV-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1Br ZINC000575383795 435033296 /nfs/dbraw/zinc/03/32/96/435033296.db2.gz KPKIJJPOSKRLDE-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN COc1ccc([C@H](C)N(C)C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530910786 435059973 /nfs/dbraw/zinc/05/99/73/435059973.db2.gz RIGYGOAJTXAVKN-AWEZNQCLSA-N 0 0 308.381 3.329 10 30 DGEERN Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n(C(C)(C)C)n1 ZINC000578014898 435063349 /nfs/dbraw/zinc/06/33/49/435063349.db2.gz XRPKHEZVXYZGKN-UHFFFAOYSA-N 0 0 317.437 3.398 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466321865 435072231 /nfs/dbraw/zinc/07/22/31/435072231.db2.gz AQDMEOZDZYXFDF-QZTJIDSGSA-N 0 0 315.461 3.257 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000466390265 435075261 /nfs/dbraw/zinc/07/52/61/435075261.db2.gz SKUIWDDASQTOQB-UKPHBRMFSA-N 0 0 302.418 3.375 10 30 DGEERN N#Cc1cc(N[C@@H]2C[C@H]2c2ccc(Br)cc2)ncn1 ZINC000578481116 435086039 /nfs/dbraw/zinc/08/60/39/435086039.db2.gz KLGMIPNUDYJNLL-QWHCGFSZSA-N 0 0 315.174 3.079 10 30 DGEERN COC(=O)c1c(C#N)c(Br)ccc1C(F)(F)F ZINC000575383913 435034744 /nfs/dbraw/zinc/03/47/44/435034744.db2.gz RRYQDTRNPJLUNR-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)c1c(C#N)cc([N+](=O)[O-])cc1SC(F)(F)F ZINC000575394176 435035124 /nfs/dbraw/zinc/03/51/24/435035124.db2.gz OBHOYULGJCMGHP-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(OC)c1SC(F)(F)F ZINC000575394574 435035241 /nfs/dbraw/zinc/03/52/41/435035241.db2.gz KHPIKMGQBWCWHN-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCc1cc(CC(=O)OC)cc(C#N)c1SC(F)(F)F ZINC000575389791 435035320 /nfs/dbraw/zinc/03/53/20/435035320.db2.gz OCBRULYIJNTFSG-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)c1cc([N+](=O)[O-])cc(SC(F)(F)F)c1C#N ZINC000575394197 435035407 /nfs/dbraw/zinc/03/54/07/435035407.db2.gz OWLLPRPYFYRYNV-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1c(C#N)cc(SC(F)(F)F)cc1OC ZINC000575394552 435035430 /nfs/dbraw/zinc/03/54/30/435035430.db2.gz IXOXVWPRWOAHKI-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(C=O)c1SC(F)(F)F ZINC000575391765 435035610 /nfs/dbraw/zinc/03/56/10/435035610.db2.gz SVLFREURQBMWFZ-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1ccc(F)c(C#N)c1SC(F)(F)F ZINC000575390688 435035715 /nfs/dbraw/zinc/03/57/15/435035715.db2.gz QDKDBXYZXVESJI-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCNc1ccc(C#N)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000556930108 435038930 /nfs/dbraw/zinc/03/89/30/435038930.db2.gz KOLVDXYTGJWIDC-UHFFFAOYSA-N 0 0 304.353 3.043 10 30 DGEERN CCc1cc(OC(F)F)cc(C#N)c1I ZINC000575656274 435040023 /nfs/dbraw/zinc/04/00/23/435040023.db2.gz SYALYTSTOXSQFP-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(CC#N)c(I)cc1OC(F)F ZINC000575663793 435040789 /nfs/dbraw/zinc/04/07/89/435040789.db2.gz MLNXMZYHJKKQAZ-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1c(CC#N)cc(I)cc1OC(F)F ZINC000575664311 435040896 /nfs/dbraw/zinc/04/08/96/435040896.db2.gz XKVBKXBWLZLVLM-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN N#CCc1ccc(OC(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575666550 435040947 /nfs/dbraw/zinc/04/09/47/435040947.db2.gz JMMXOPTZJRAMSB-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#Cc1cc(I)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575670342 435042012 /nfs/dbraw/zinc/04/20/12/435042012.db2.gz BVCIOPQTSNKWSJ-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN CCOc1c(I)c(C#N)ccc1C(F)F ZINC000575667568 435042065 /nfs/dbraw/zinc/04/20/65/435042065.db2.gz QINSCYGQWNYAHU-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#CCc1c(F)cc(I)cc1C(F)F ZINC000575668705 435042308 /nfs/dbraw/zinc/04/23/08/435042308.db2.gz UFVJYGYPFUWRFV-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN C=C(C)CN(CC)C(=O)Cn1ccc2sc(CC)cc2c1=O ZINC000530121077 435042992 /nfs/dbraw/zinc/04/29/92/435042992.db2.gz HCUZAWQJOMBROW-UHFFFAOYSA-N 0 0 318.442 3.050 10 30 DGEERN N#CCc1c(OC(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575684582 435044402 /nfs/dbraw/zinc/04/44/02/435044402.db2.gz HBFWQRQZZIUQKQ-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000530670577 435045463 /nfs/dbraw/zinc/04/54/63/435045463.db2.gz WXRSASNXZLZYAI-UHFFFAOYSA-N 0 0 308.356 3.431 10 30 DGEERN Cc1ccc(CSCCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530670246 435046582 /nfs/dbraw/zinc/04/65/82/435046582.db2.gz KLFHHCXPDAQPAE-UHFFFAOYSA-N 0 0 324.449 3.459 10 30 DGEERN C=CCC(C)(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000557402475 435052218 /nfs/dbraw/zinc/05/22/18/435052218.db2.gz FKSOJDTVPMMGRV-UHFFFAOYSA-N 0 0 315.373 3.337 10 30 DGEERN CCc1cc(C(=O)N(CC#N)C2CC2)c2c(n1)onc2C(C)C ZINC000558689486 435104176 /nfs/dbraw/zinc/10/41/76/435104176.db2.gz DVURSRCEELCAFL-UHFFFAOYSA-N 0 0 312.373 3.037 10 30 DGEERN CCOCCC1(CNC(=O)Cc2cccc(C#N)c2)CCCC1 ZINC000531601703 435104733 /nfs/dbraw/zinc/10/47/33/435104733.db2.gz TWMMERDDXHBPCZ-UHFFFAOYSA-N 0 0 314.429 3.204 10 30 DGEERN C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1Cc1ccccc1 ZINC000558908889 435115850 /nfs/dbraw/zinc/11/58/50/435115850.db2.gz ZHMVISCMVMPXRZ-AWEZNQCLSA-N 0 0 311.433 3.220 10 30 DGEERN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)CC ZINC000558997149 435118143 /nfs/dbraw/zinc/11/81/43/435118143.db2.gz ITUDXFWXTMFCLP-UHFFFAOYSA-N 0 0 300.406 3.198 10 30 DGEERN C=CCCCCCN(C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000561212203 435206277 /nfs/dbraw/zinc/20/62/77/435206277.db2.gz KDJNHJFRWALZRP-UHFFFAOYSA-N 0 0 321.377 3.267 10 30 DGEERN C=CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000474596217 435152069 /nfs/dbraw/zinc/15/20/69/435152069.db2.gz RPADCHVKYLPLLP-DLBZAZTESA-N 0 0 323.392 3.303 10 30 DGEERN C=CCCCCCNC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC ZINC000580656937 435236818 /nfs/dbraw/zinc/23/68/18/435236818.db2.gz HMRBGOYAYQSXEF-CVEARBPZSA-N 0 0 323.481 3.069 10 30 DGEERN C=CCOc1cccc(NC(=O)NC2(CCO)CCCCC2)c1 ZINC000476809760 435247356 /nfs/dbraw/zinc/24/73/56/435247356.db2.gz UFSVKYFFPRSXOK-UHFFFAOYSA-N 0 0 318.417 3.458 10 30 DGEERN C=CC[C@H](C(=O)N1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000563173371 435266796 /nfs/dbraw/zinc/26/67/96/435266796.db2.gz AQJHIARHFCUGMH-WMZOPIPTSA-N 0 0 317.454 3.081 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1CSC ZINC000566144511 435284460 /nfs/dbraw/zinc/28/44/60/435284460.db2.gz UGZDELGSUQZABW-WFASDCNBSA-N 0 0 306.431 3.262 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000566427809 435286634 /nfs/dbraw/zinc/28/66/34/435286634.db2.gz OFHNWWZYSAJTJQ-OAHLLOKOSA-N 0 0 315.417 3.158 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000566616940 435287750 /nfs/dbraw/zinc/28/77/50/435287750.db2.gz QQTSYIGPFXSTRT-QXRTWZOPSA-N 0 0 314.429 3.200 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N(CCC)CC1CC1 ZINC000584319799 435290137 /nfs/dbraw/zinc/29/01/37/435290137.db2.gz PKLGJYGWEAECCM-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCCCCCNC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000566805588 435290185 /nfs/dbraw/zinc/29/01/85/435290185.db2.gz RWQWCCXGKGPSOH-UHFFFAOYSA-N 0 0 313.401 3.486 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000479761866 435353350 /nfs/dbraw/zinc/35/33/50/435353350.db2.gz DEKJKSHDLXAQPC-LBPRGKRZSA-N 0 0 319.430 3.201 10 30 DGEERN CC1(CNC(=O)Cc2cccc(C#N)c2)Cc2ccccc2C1 ZINC000535811454 435355968 /nfs/dbraw/zinc/35/59/68/435355968.db2.gz ABDDPXYDPAZWSF-UHFFFAOYSA-N 0 0 304.393 3.022 10 30 DGEERN N#CC1CCC(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000568167139 435398589 /nfs/dbraw/zinc/39/85/89/435398589.db2.gz XXMVQVYRMVIENS-QWQCLYJRSA-N 0 0 315.392 3.442 10 30 DGEERN C=CCOc1cccc(NC[C@@H](O)COc2ccc(C)cc2)c1 ZINC000514856273 435444849 /nfs/dbraw/zinc/44/48/49/435444849.db2.gz BYEDECLZLKNNJW-QGZVFWFLSA-N 0 0 313.397 3.412 10 30 DGEERN CC#CCCNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000482442815 435465967 /nfs/dbraw/zinc/46/59/67/435465967.db2.gz XRQIUKRTNFFCGK-LBPRGKRZSA-N 0 0 320.261 3.281 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccccc1CCc1ccccc1 ZINC000537121387 435426076 /nfs/dbraw/zinc/42/60/76/435426076.db2.gz RTUQUBPFLIZPMO-GOSISDBHSA-N 0 0 323.436 3.386 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccccc1CCc1ccccc1 ZINC000537121388 435426705 /nfs/dbraw/zinc/42/67/05/435426705.db2.gz RTUQUBPFLIZPMO-SFHVURJKSA-N 0 0 323.436 3.386 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cncc(-c2ccccc2)c1 ZINC000516761490 435549610 /nfs/dbraw/zinc/54/96/10/435549610.db2.gz GQMNLPGZTHZXSQ-YJBOKZPZSA-N 0 0 308.381 3.070 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000539388234 435549994 /nfs/dbraw/zinc/54/99/94/435549994.db2.gz KYTIQUHGEUAWJL-OAHLLOKOSA-N 0 0 323.481 3.021 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc2cnccc21 ZINC000516783279 435552527 /nfs/dbraw/zinc/55/25/27/435552527.db2.gz CZAAPFLAOAGKGU-UHFFFAOYSA-N 0 0 311.385 3.036 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1ccccc1C ZINC000570325632 435607751 /nfs/dbraw/zinc/60/77/51/435607751.db2.gz KOXDZMRSJZJMAC-RDJZCZTQSA-N 0 0 316.445 3.163 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000517748545 435610299 /nfs/dbraw/zinc/61/02/99/435610299.db2.gz MNGPAZZGPGIQGR-KIMTWRLISA-N 0 0 306.450 3.092 10 30 DGEERN C=CCCCCCNC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000570342415 435611179 /nfs/dbraw/zinc/61/11/79/435611179.db2.gz IOQVIOBGEDCYQH-UHFFFAOYSA-N 0 0 310.467 3.381 10 30 DGEERN C=CC[C@H](CO)CNC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000540422107 435599262 /nfs/dbraw/zinc/59/92/62/435599262.db2.gz BBEQEEGEILSWCR-DOTOQJQBSA-N 0 0 319.445 3.268 10 30 DGEERN C=CCSCCNc1nccc(OCc2ccccc2)n1 ZINC000541889419 435645449 /nfs/dbraw/zinc/64/54/49/435645449.db2.gz ZKCAZZOTRMXPTJ-UHFFFAOYSA-N 0 0 301.415 3.387 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC000570742990 435646811 /nfs/dbraw/zinc/64/68/11/435646811.db2.gz OXOLKRIUNNEWHH-LPHOPBHVSA-N 0 0 318.436 3.370 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC000570742989 435646909 /nfs/dbraw/zinc/64/69/09/435646909.db2.gz OXOLKRIUNNEWHH-APWZRJJASA-N 0 0 318.436 3.370 10 30 DGEERN C=CCCS(=O)(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000490472678 435659476 /nfs/dbraw/zinc/65/94/76/435659476.db2.gz SXPQFMAJAPXPFJ-UHFFFAOYSA-N 0 0 319.401 3.488 10 30 DGEERN N#Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)ccc1F ZINC000548090599 435667479 /nfs/dbraw/zinc/66/74/79/435667479.db2.gz DSDQBMCSBDBNEA-INIZCTEOSA-N 0 0 316.376 3.261 10 30 DGEERN COC(=O)CCCOc1ccc(Nc2ccncc2C#N)cc1 ZINC000548482382 435695747 /nfs/dbraw/zinc/69/57/47/435695747.db2.gz QLWIZFKLTMHZMY-UHFFFAOYSA-N 0 0 311.341 3.029 10 30 DGEERN COc1ccc(OC2CCN(c3ccncc3C#N)CC2)cc1 ZINC000548481601 435695952 /nfs/dbraw/zinc/69/59/52/435695952.db2.gz VUZSTSXIAJIFBP-UHFFFAOYSA-N 0 0 309.369 3.010 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(F)c1C#N ZINC000187849486 300366248 /nfs/dbraw/zinc/36/62/48/300366248.db2.gz YCIDRQBYXYVIOO-SCLBCKFNSA-N 0 0 324.355 3.300 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000571698614 435728212 /nfs/dbraw/zinc/72/82/12/435728212.db2.gz UMUSOZGOUUTZIV-UHFFFAOYSA-N 0 0 303.406 3.191 10 30 DGEERN COc1cc(-c2noc(/C=C\c3cccc(C#N)c3)n2)cc(C)n1 ZINC000549682767 435771238 /nfs/dbraw/zinc/77/12/38/435771238.db2.gz SRIIHDTXMLONTA-SREVYHEPSA-N 0 0 318.336 3.491 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000572129136 435784540 /nfs/dbraw/zinc/78/45/40/435784540.db2.gz ZOYLDGLQCYKTGR-WBVHZDCISA-N 0 0 324.428 3.074 10 30 DGEERN C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1Cc1ccccc1 ZINC000572130740 435786260 /nfs/dbraw/zinc/78/62/60/435786260.db2.gz ZGYILSAKVWKYTE-CQSZACIVSA-N 0 0 309.417 3.190 10 30 DGEERN N#Cc1cnccc1N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000551898799 435857693 /nfs/dbraw/zinc/85/76/93/435857693.db2.gz BQLLYHFCMSHDPR-SNVBAGLBSA-N 0 0 321.306 3.079 10 30 DGEERN N#Cc1cnccc1N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000551898795 435858600 /nfs/dbraw/zinc/85/86/00/435858600.db2.gz BQLLYHFCMSHDPR-JTQLQIEISA-N 0 0 321.306 3.079 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000532800235 313579703 /nfs/dbraw/zinc/57/97/03/313579703.db2.gz OXROUWFEYKPICX-UHFFFAOYSA-N 0 0 303.321 3.134 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(CCCO)c2)ccc1Cl ZINC000541986841 314051632 /nfs/dbraw/zinc/05/16/32/314051632.db2.gz UGGUDQRJVAXKQH-UHFFFAOYSA-N 0 0 314.772 3.389 10 30 DGEERN N#Cc1cccc(Cc2nc(Cc3cc(F)cc(F)c3)no2)c1 ZINC000544976997 314219728 /nfs/dbraw/zinc/21/97/28/314219728.db2.gz IZPIHTSSERGFQT-UHFFFAOYSA-N 0 0 311.291 3.401 10 30 DGEERN CC[C@H]1Cc2ccccc2CN1C(=O)Cc1cccc(C#N)c1 ZINC000546632587 314316842 /nfs/dbraw/zinc/31/68/42/314316842.db2.gz STHAZUFPKVQSTB-IBGZPJMESA-N 0 0 304.393 3.464 10 30 DGEERN N#Cc1cnccc1NCc1cccc(COCc2ccco2)c1 ZINC000547826259 314399594 /nfs/dbraw/zinc/39/95/94/314399594.db2.gz NEUKWFICJNJTDN-UHFFFAOYSA-N 0 0 319.364 3.297 10 30 DGEERN N#Cc1cnccc1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000548480181 314451439 /nfs/dbraw/zinc/45/14/39/314451439.db2.gz OGCUYIXDBNEGJW-UHFFFAOYSA-N 0 0 320.327 3.314 10 30 DGEERN CC[C@@H](CNc1ccncc1C#N)Oc1ccccc1Cl ZINC000548482358 314451603 /nfs/dbraw/zinc/45/16/03/314451603.db2.gz KJCOPUJQRCXIMP-ZDUSSCGKSA-N 0 0 301.777 3.298 10 30 DGEERN N#Cc1cccc(CCNC(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000568143075 315483192 /nfs/dbraw/zinc/48/31/92/315483192.db2.gz AOXLDQBYKXYACH-UHFFFAOYSA-N 0 0 319.408 3.478 10 30 DGEERN N#Cc1ccsc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181458147 323254650 /nfs/dbraw/zinc/25/46/50/323254650.db2.gz SPTWXAYIMIRUKT-UHFFFAOYSA-N 0 0 314.292 3.021 10 30 DGEERN N#Cc1cc(CSc2nc(C3CC3)cc(=O)[nH]2)ccc1F ZINC000191505405 323447975 /nfs/dbraw/zinc/44/79/75/323447975.db2.gz PHIPGUYRGBLDQT-UHFFFAOYSA-N 0 0 301.346 3.363 10 30 DGEERN CN(C(=O)c1coc(Br)c1)c1ccccc1C#N ZINC000378899179 323605701 /nfs/dbraw/zinc/60/57/01/323605701.db2.gz BMMDNRFIOYPDGZ-UHFFFAOYSA-N 0 0 305.131 3.190 10 30 DGEERN CC(C)(C)c1csc(Cn2cc3c(c(C#N)c2=O)CCC3)n1 ZINC000582825030 324279627 /nfs/dbraw/zinc/27/96/27/324279627.db2.gz FJXUOEHYRIAIGP-UHFFFAOYSA-N 0 0 313.426 3.011 10 30 DGEERN CCCc1c(C(=O)Nc2cc(C#N)ccn2)cnn1C1CCCC1 ZINC000582853042 324284195 /nfs/dbraw/zinc/28/41/95/324284195.db2.gz YTAZYSHJDKBENG-UHFFFAOYSA-N 0 0 323.400 3.470 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(Oc3ccccc3)cn2)c1 ZINC000583731779 324389923 /nfs/dbraw/zinc/38/99/23/324389923.db2.gz STKQYANQMUJGHE-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN C=C[C@H](CC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000574918409 332848333 /nfs/dbraw/zinc/84/83/33/332848333.db2.gz MDYNANVRLVCXEH-QAPCUYQASA-N 0 0 317.454 3.081 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000583982440 331515563 /nfs/dbraw/zinc/51/55/63/331515563.db2.gz UBWHOYBTSYDJNG-HNNXBMFYSA-N 0 0 304.365 3.205 10 30 DGEERN C=C(C)CN(C)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000180466658 331569897 /nfs/dbraw/zinc/56/98/97/331569897.db2.gz SCFYIDXKCVBIFY-UHFFFAOYSA-N 0 0 309.356 3.048 10 30 DGEERN C=CCC[C@@H](C(=O)NCc1ncnn1C(C)C)c1ccccc1 ZINC000299122883 331679713 /nfs/dbraw/zinc/67/97/13/331679713.db2.gz WZRPMCAUVKJMKL-MRXNPFEDSA-N 0 0 312.417 3.225 10 30 DGEERN C=C(C)Cn1c(COc2ccccc2CC)nnc1N(C)CC ZINC000558978722 331962774 /nfs/dbraw/zinc/96/27/74/331962774.db2.gz UMMGOYYKPRBMFX-UHFFFAOYSA-N 0 0 314.433 3.452 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@H](COC)C1 ZINC000558996864 331964927 /nfs/dbraw/zinc/96/49/27/331964927.db2.gz VNQXTMSQHGHGJM-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccnc1OCC(F)(F)F ZINC000185050212 335110540 /nfs/dbraw/zinc/11/05/40/335110540.db2.gz BMDVWFWEHWYJGP-LLVKDONJSA-N 0 0 316.323 3.241 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000185054531 335110574 /nfs/dbraw/zinc/11/05/74/335110574.db2.gz UMJYSRQRDFZDAA-OAHLLOKOSA-N 0 0 314.429 3.466 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc2ccsc2c1 ZINC000525649856 332525382 /nfs/dbraw/zinc/52/53/82/332525382.db2.gz XSTRUUGXPWZVER-UHFFFAOYSA-N 0 0 300.305 3.487 10 30 DGEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCc1cc2ccccc2o1 ZINC000562655531 332613790 /nfs/dbraw/zinc/61/37/90/332613790.db2.gz MULHLJYDADGUGJ-WMZOPIPTSA-N 0 0 313.397 3.463 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1Cl ZINC000569688966 332660157 /nfs/dbraw/zinc/66/01/57/332660157.db2.gz KNRGHAADHJNSJN-HUBLWGQQSA-N 0 0 308.809 3.291 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000569839167 332684501 /nfs/dbraw/zinc/68/45/01/332684501.db2.gz DKPLXOXFFDAFBZ-NJAFHUGGSA-N 0 0 316.445 3.125 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H](C)C[C@@H]1CC ZINC000570087658 332710197 /nfs/dbraw/zinc/71/01/97/332710197.db2.gz UHDYTLVJRYEWBA-HIFRSBDPSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1OC ZINC000293643790 335114187 /nfs/dbraw/zinc/11/41/87/335114187.db2.gz IEVMUHMPTFPZCC-RDJZCZTQSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCC1(CNC(=O)c2cnn3c2C[C@@H](C)CC3)CCCC1 ZINC000580195319 332998207 /nfs/dbraw/zinc/99/82/07/332998207.db2.gz UGGDXJWSJNEDJD-AWEZNQCLSA-N 0 0 301.434 3.332 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185191680 335118300 /nfs/dbraw/zinc/11/83/00/335118300.db2.gz OWGZTPYJYBXPNP-KGLIPLIRSA-N 0 0 323.458 3.212 10 30 DGEERN N#CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185720958 333212582 /nfs/dbraw/zinc/21/25/82/333212582.db2.gz BVYMLWXMYXGXLH-WCQYABFASA-N 0 0 313.184 3.101 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(C[C@@H]1CCCO1)C1CCCC1 ZINC000582096098 333213466 /nfs/dbraw/zinc/21/34/66/333213466.db2.gz ZJVUAIZVHHVORQ-INIZCTEOSA-N 0 0 318.465 3.345 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000295195613 335130786 /nfs/dbraw/zinc/13/07/86/335130786.db2.gz RQSGASSUCLBWEU-UAGQMJEPSA-N 0 0 323.458 3.181 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cn2ccnc2s1 ZINC000188177408 333323868 /nfs/dbraw/zinc/32/38/68/333323868.db2.gz SSTUVNKXYMCIMF-UHFFFAOYSA-N 0 0 303.412 3.286 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cn2ccnc2s1 ZINC000188352546 333363831 /nfs/dbraw/zinc/36/38/31/333363831.db2.gz MZOJDBQVXKQHHB-UHFFFAOYSA-N 0 0 315.373 3.363 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000188389968 333365217 /nfs/dbraw/zinc/36/52/17/333365217.db2.gz GPILFDGRUGPKNJ-CYBMUJFWSA-N 0 0 310.401 3.315 10 30 DGEERN C=C(C)Cn1c(-c2ncccn2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000521410948 333373784 /nfs/dbraw/zinc/37/37/84/333373784.db2.gz KWPMSIMWIQYRRK-CQSZACIVSA-N 0 0 324.432 3.080 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188667401 333384925 /nfs/dbraw/zinc/38/49/25/333384925.db2.gz QZMUASJSQILCIF-ZDUSSCGKSA-N 0 0 308.447 3.403 10 30 DGEERN C=CCCCCCNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000563355430 333595424 /nfs/dbraw/zinc/59/54/24/333595424.db2.gz MDPWGBAHJNOKEY-UHFFFAOYSA-N 0 0 300.406 3.061 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccnc(OC(F)F)c1 ZINC000563379148 333599054 /nfs/dbraw/zinc/59/90/54/333599054.db2.gz YUCYYDCPHUGCDT-UHFFFAOYSA-N 0 0 313.348 3.229 10 30 DGEERN C=CCOc1cccc(NC(=O)NCCC2(COC)CC2)c1 ZINC000571319864 333730476 /nfs/dbraw/zinc/73/04/76/333730476.db2.gz BXDDJLGWFKZWHR-UHFFFAOYSA-N 0 0 304.390 3.190 10 30 DGEERN C/C=C\c1ccc(OCC(=O)NC2(C#N)CCCC2)c(OC)c1 ZINC000255718473 333792693 /nfs/dbraw/zinc/79/26/93/333792693.db2.gz LWIQQCYIBAHTBN-UTCJRWHESA-N 0 0 314.385 3.060 10 30 DGEERN C=C(C)CNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000161088641 333805880 /nfs/dbraw/zinc/80/58/80/333805880.db2.gz DAQCJCQDXPJPGH-UHFFFAOYSA-N 0 0 324.409 3.302 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1 ZINC000348431564 335586636 /nfs/dbraw/zinc/58/66/36/335586636.db2.gz AMJBLAONSMHKPS-HNNXBMFYSA-N 0 0 315.413 3.283 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@](C)(CO)C(C)C)c1 ZINC000580380963 336262806 /nfs/dbraw/zinc/26/28/06/336262806.db2.gz HJSQLPRTROFGEK-KRWDZBQOSA-N 0 0 306.406 3.170 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000514598343 336385488 /nfs/dbraw/zinc/38/54/88/336385488.db2.gz ADCPGUDQKFGUIU-JQFCIGGWSA-N 0 0 314.429 3.299 10 30 DGEERN C=CCCCN(C)c1nnc(CCOc2ccccc2)n1CC ZINC000582253678 336395189 /nfs/dbraw/zinc/39/51/89/336395189.db2.gz UASYCYWWORITAQ-UHFFFAOYSA-N 0 0 314.433 3.322 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000571680314 336396126 /nfs/dbraw/zinc/39/61/26/336396126.db2.gz UGGJXXBPEFVTCM-NEPJUHHUSA-N 0 0 317.462 3.378 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn([C@H](C)CC)c1C ZINC000359442187 336673308 /nfs/dbraw/zinc/67/33/08/336673308.db2.gz RRNFWFFPIVBJJC-SNVBAGLBSA-N 0 0 303.328 3.353 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000373353971 336957118 /nfs/dbraw/zinc/95/71/18/336957118.db2.gz LVEITFZPTILTOW-OAHLLOKOSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCn2cc(C)nc2C1)c1ccccc1 ZINC000375285606 337007187 /nfs/dbraw/zinc/00/71/87/337007187.db2.gz DHEILVLTVRJLHJ-QGZVFWFLSA-N 0 0 309.413 3.284 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000582526529 337104923 /nfs/dbraw/zinc/10/49/23/337104923.db2.gz NTMGKINNQYWUKU-CQSZACIVSA-N 0 0 310.438 3.106 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(F)ccc1OC(C)C ZINC000583200533 337267347 /nfs/dbraw/zinc/26/73/47/337267347.db2.gz KGUBFNRLQXEEHE-WFASDCNBSA-N 0 0 322.380 3.326 10 30 DGEERN CCCCC[C@H](O)C#CCCCC(=O)CCCCC(=O)OC ZINC000584615691 337372722 /nfs/dbraw/zinc/37/27/22/337372722.db2.gz HBCSMEOZISZCMD-INIZCTEOSA-N 0 0 310.434 3.404 10 30 DGEERN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC=C2C(=O)CO ZINC000584617663 337373068 /nfs/dbraw/zinc/37/30/68/337373068.db2.gz GLUNZKCMVMAXLI-NEHHDPPZSA-N 0 0 314.425 3.226 10 30 DGEERN CCCCCCCCCCCCO[C@@H](CO)CNC(C)=O ZINC000584591200 337373448 /nfs/dbraw/zinc/37/34/48/337373448.db2.gz ZEPYCFPCKYCVIP-QGZVFWFLSA-N 0 0 301.471 3.421 10 30 DGEERN C=CCCCCCNC(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000521457149 337424333 /nfs/dbraw/zinc/42/43/33/337424333.db2.gz NFZGMEXZUYVPLT-UHFFFAOYSA-N 0 0 323.462 3.143 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000571909634 337581694 /nfs/dbraw/zinc/58/16/94/337581694.db2.gz RODNVJMMIBGOSS-SFHVURJKSA-N 0 0 324.428 3.182 10 30 DGEERN N#C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C1CC1 ZINC000161691260 337594955 /nfs/dbraw/zinc/59/49/55/337594955.db2.gz BMXTYTJYKFJCEW-QGZVFWFLSA-N 0 0 324.355 3.437 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000572285141 337604871 /nfs/dbraw/zinc/60/48/71/337604871.db2.gz WOJUFTAOEVVMPZ-TXEJJXNPSA-N 0 0 317.462 3.378 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@]1(C)Br ZINC000527900958 337772759 /nfs/dbraw/zinc/77/27/59/337772759.db2.gz ABAXNEUAURHLPE-HIFRSBDPSA-N 0 0 308.219 3.375 10 30 DGEERN C=CCNC(=O)c1ccc(NCC(C)(C)C(F)(F)CC)nc1 ZINC000528182392 337794498 /nfs/dbraw/zinc/79/44/98/337794498.db2.gz MBHSFTIZLCVBPV-UHFFFAOYSA-N 0 0 311.376 3.481 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCOCC3(CC3)C2)c1 ZINC000516035594 338002802 /nfs/dbraw/zinc/00/28/02/338002802.db2.gz DWGONWWFRMJXAI-UHFFFAOYSA-N 0 0 316.401 3.286 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000516177102 338005885 /nfs/dbraw/zinc/00/58/85/338005885.db2.gz QURDYZZXSRHJIH-VYDXJSESSA-N 0 0 302.418 3.255 10 30 DGEERN C=CCCCS(=O)(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000489521237 339811660 /nfs/dbraw/zinc/81/16/60/339811660.db2.gz XJDYYODBZHRHEO-LLVKDONJSA-N 0 0 315.822 3.223 10 30 DGEERN CCCCO[C@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C1(C)C ZINC000504405103 340147333 /nfs/dbraw/zinc/14/73/33/340147333.db2.gz ZIJZPUYMFNRRNE-CABCVRRESA-N 0 0 321.465 3.305 10 30 DGEERN C=CCC(C)(C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000504911770 340155829 /nfs/dbraw/zinc/15/58/29/340155829.db2.gz KZZCCKQHHMDZSV-UHFFFAOYSA-N 0 0 320.864 3.417 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN[C@@H](c2ccc(CC)cc2)C1 ZINC000505470097 340169159 /nfs/dbraw/zinc/16/91/59/340169159.db2.gz XMMWNBQOHLWPOI-CRAIPNDOSA-N 0 0 300.446 3.324 10 30 DGEERN C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC ZINC000508489839 340244811 /nfs/dbraw/zinc/24/48/11/340244811.db2.gz PAZMUJXSVPSJJM-UHFFFAOYSA-N 0 0 309.417 3.469 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C(C)C)C1 ZINC000508813467 340253466 /nfs/dbraw/zinc/25/34/66/340253466.db2.gz OTXOJRMMCDDICX-HNNXBMFYSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H](COCC)C1 ZINC000508816197 340253656 /nfs/dbraw/zinc/25/36/56/340253656.db2.gz HCDGFXNQUYYZPB-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC1CC1 ZINC000508905201 340255562 /nfs/dbraw/zinc/25/55/62/340255562.db2.gz ZDQJOTRQCXCWLO-UHFFFAOYSA-N 0 0 321.428 3.382 10 30 DGEERN C=CCn1c(N2CCC[C@H]([C@H]3CCOC3)C2)nnc1C(C)(C)C ZINC000508908905 340255566 /nfs/dbraw/zinc/25/55/66/340255566.db2.gz WPURNAMYQBGGBT-GJZGRUSLSA-N 0 0 318.465 3.015 10 30 DGEERN C=CCn1c(N2CCC[C@@H]([C@H]3CCOC3)C2)nnc1C(C)(C)C ZINC000508908904 340255655 /nfs/dbraw/zinc/25/56/55/340255655.db2.gz WPURNAMYQBGGBT-CABCVRRESA-N 0 0 318.465 3.015 10 30 DGEERN COc1cccc(CCC(=O)N[C@](C)(C#N)CC(C)C)c1F ZINC000509550747 340273261 /nfs/dbraw/zinc/27/32/61/340273261.db2.gz XYSGMXNTIDYCOF-KRWDZBQOSA-N 0 0 306.381 3.211 10 30 DGEERN C=CCOc1ccc(CN(C)[C@H](CC(C)C)C(=O)OC)cc1 ZINC000509818900 340280116 /nfs/dbraw/zinc/28/01/16/340280116.db2.gz IVVKPNRZCNFTDB-QGZVFWFLSA-N 0 0 305.418 3.271 10 30 DGEERN C=C(CNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000512674161 340372511 /nfs/dbraw/zinc/37/25/11/340372511.db2.gz VFCZCPZHQMJMEQ-ZWKOTPCHSA-N 0 0 314.429 3.158 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000173921122 340377866 /nfs/dbraw/zinc/37/78/66/340377866.db2.gz CBKZYACWKIHTRW-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCCN(C)C(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000513646573 340416913 /nfs/dbraw/zinc/41/69/13/340416913.db2.gz ZTFFZLUYNXYGCI-JKSUJKDBSA-N 0 0 302.418 3.450 10 30 DGEERN CC(C)[C@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175874722 340422390 /nfs/dbraw/zinc/42/23/90/340422390.db2.gz NTSFDDSCMZIYFW-LBPRGKRZSA-N 0 0 312.335 3.401 10 30 DGEERN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CCC ZINC000516914774 340458571 /nfs/dbraw/zinc/45/85/71/340458571.db2.gz JWBFCKQALKTEPQ-MRXNPFEDSA-N 0 0 312.417 3.377 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000185468717 340501423 /nfs/dbraw/zinc/50/14/23/340501423.db2.gz VFEASUPNVKPVEF-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000185752620 340504856 /nfs/dbraw/zinc/50/48/56/340504856.db2.gz FYKFODHTGAXNQM-OAHLLOKOSA-N 0 0 302.418 3.060 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190702831 340546604 /nfs/dbraw/zinc/54/66/04/340546604.db2.gz BDMSBKWEEKFYRH-VXGBXAGGSA-N 0 0 307.356 3.405 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000529242278 340749636 /nfs/dbraw/zinc/74/96/36/340749636.db2.gz RVCJKCBQUSZTDL-GFCCVEGCSA-N 0 0 300.362 3.253 10 30 DGEERN C=C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1)c1ccccc1 ZINC000530078480 340778939 /nfs/dbraw/zinc/77/89/39/340778939.db2.gz GZCWUQSFJBIPJN-RHSMWYFYSA-N 0 0 323.396 3.206 10 30 DGEERN COc1ccnc2c(NC(=O)N3CCC(C)(C#N)CC3)cccc12 ZINC000542812332 341021753 /nfs/dbraw/zinc/02/17/53/341021753.db2.gz CAZZAAKZYWQEBY-UHFFFAOYSA-N 0 0 324.384 3.401 10 30 DGEERN C=CCC[C@H](NC(=O)N(C[C@@H](C)O)C(C)C)c1ccccc1 ZINC000130986923 341055775 /nfs/dbraw/zinc/05/57/75/341055775.db2.gz VRFYULIUEVMZSR-WBVHZDCISA-N 0 0 304.434 3.495 10 30 DGEERN C=CCC[C@@H](NC(=O)N(C[C@@H](C)O)C(C)C)c1ccccc1 ZINC000130987344 341055784 /nfs/dbraw/zinc/05/57/84/341055784.db2.gz VRFYULIUEVMZSR-NVXWUHKLSA-N 0 0 304.434 3.495 10 30 DGEERN N#CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000543838131 341061106 /nfs/dbraw/zinc/06/11/06/341061106.db2.gz LWOMOGNJIXRJBX-DZGCQCFKSA-N 0 0 304.340 3.221 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2ccc3cnn(C)c3c2)no1)OCC ZINC000544958898 341101402 /nfs/dbraw/zinc/10/14/02/341101402.db2.gz WOPPYHMZPWOWCB-HNNXBMFYSA-N 0 0 312.373 3.147 10 30 DGEERN CC#CCCCC(=O)Nc1nc2cc(OC)c(OC)cc2s1 ZINC000545216656 341114825 /nfs/dbraw/zinc/11/48/25/341114825.db2.gz IHFCRFMDSAQMAL-UHFFFAOYSA-N 0 0 318.398 3.446 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000545252644 341117403 /nfs/dbraw/zinc/11/74/03/341117403.db2.gz KAULWXLHAWEHBK-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000545252642 341117423 /nfs/dbraw/zinc/11/74/23/341117423.db2.gz KAULWXLHAWEHBK-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN COc1ccc(NC(=O)N2CCC(C)(C#N)CC2)c2ncccc12 ZINC000545331213 341121997 /nfs/dbraw/zinc/12/19/97/341121997.db2.gz PFNDVLQDGCYARG-UHFFFAOYSA-N 0 0 324.384 3.401 10 30 DGEERN C=CC[C@@H](CC)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000545353467 341122870 /nfs/dbraw/zinc/12/28/70/341122870.db2.gz YCXNCTDEYGQKEV-SNVBAGLBSA-N 0 0 305.802 3.421 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2ccc(F)cc2)n1CC ZINC000549080435 341285648 /nfs/dbraw/zinc/28/56/48/341285648.db2.gz UXTMJTIWGGSYMJ-UHFFFAOYSA-N 0 0 302.397 3.430 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC000549657067 341300075 /nfs/dbraw/zinc/30/00/75/341300075.db2.gz VWSAUPSLBKBAMX-HOTGVXAUSA-N 0 0 320.481 3.304 10 30 DGEERN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)C[C@@H](C)C#N ZINC000549680932 341300372 /nfs/dbraw/zinc/30/03/72/341300372.db2.gz KQILFRLYWNONQZ-HNNXBMFYSA-N 0 0 323.444 3.349 10 30 DGEERN CCCCc1nnc(N2CCC(C)(C#N)CC2)n1CC(C)C ZINC000549861212 341305282 /nfs/dbraw/zinc/30/52/82/341305282.db2.gz OYAZSCFTEIZWKG-UHFFFAOYSA-N 0 0 303.454 3.407 10 30 DGEERN CC#CCN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000550491247 341317689 /nfs/dbraw/zinc/31/76/89/341317689.db2.gz JZISWJZQYRZJOI-UHFFFAOYSA-N 0 0 309.291 3.211 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000567105871 341580493 /nfs/dbraw/zinc/58/04/93/341580493.db2.gz QXCVUOAIJYNWFN-ZOBUZTSGSA-N 0 0 316.445 3.243 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000567263856 341592120 /nfs/dbraw/zinc/59/21/20/341592120.db2.gz TZXJBOVGEVFUBN-CFVMTHIKSA-N 0 0 318.442 3.114 10 30 DGEERN C=CCCOCCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000155085489 341601554 /nfs/dbraw/zinc/60/15/54/341601554.db2.gz QITYYNVCEGBELT-UHFFFAOYSA-N 0 0 300.402 3.118 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000573341922 341725719 /nfs/dbraw/zinc/72/57/19/341725719.db2.gz YVCOJZLNNFFCKG-HUUCEWRRSA-N 0 0 304.438 3.017 10 30 DGEERN C=CCCCCCNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000577387140 341907409 /nfs/dbraw/zinc/90/74/09/341907409.db2.gz ZRAYZJCCAZKDIO-CYBMUJFWSA-N 0 0 321.387 3.011 10 30 DGEERN C=CCCCN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCOC1 ZINC000577512615 341914678 /nfs/dbraw/zinc/91/46/78/341914678.db2.gz GPIJQOUKNXQUNV-CQSZACIVSA-N 0 0 306.454 3.015 10 30 DGEERN CC(C)N(CCc1nccs1)C(=O)c1cccc(CC#N)c1 ZINC000178934295 341972497 /nfs/dbraw/zinc/97/24/97/341972497.db2.gz KNNMMUVCEKDACT-UHFFFAOYSA-N 0 0 313.426 3.302 10 30 DGEERN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C#N)cc1C ZINC000159399515 534184048 /nfs/dbraw/zinc/18/40/48/534184048.db2.gz BQOGMKRPTSXSMH-UHFFFAOYSA-N 0 0 323.352 3.086 10 30 DGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358731934 534228761 /nfs/dbraw/zinc/22/87/61/534228761.db2.gz IRBAHQDFOGBNAM-MNOVXSKESA-N 0 0 305.344 3.299 10 30 DGEERN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180709975 534237369 /nfs/dbraw/zinc/23/73/69/534237369.db2.gz MQNCWXRULVAYRR-AWEZNQCLSA-N 0 0 320.392 3.308 10 30 DGEERN Cc1ccn2c(CN3CCC[C@@]4(CCCCO4)[C@H]3C#N)cnc2c1 ZINC000333077560 534344804 /nfs/dbraw/zinc/34/48/04/534344804.db2.gz DWEIFCDTKQWBHV-MJGOQNOKSA-N 0 0 324.428 3.070 10 30 DGEERN C=CC[C@H](C)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000487701196 534347878 /nfs/dbraw/zinc/34/78/78/534347878.db2.gz DNRGKOIYIKMDAT-AWEZNQCLSA-N 0 0 303.402 3.077 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000463353933 534353609 /nfs/dbraw/zinc/35/36/09/534353609.db2.gz LKNSDSPXGRGYSA-FJRNTZHTSA-N 0 0 303.446 3.251 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)c1ccccc1C ZINC000469033131 534357977 /nfs/dbraw/zinc/35/79/77/534357977.db2.gz PWXHPERAITXUCJ-NVXWUHKLSA-N 0 0 301.430 3.370 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000469532696 534358228 /nfs/dbraw/zinc/35/82/28/534358228.db2.gz GZYINJBLRLMTPT-XJFOESAGSA-N 0 0 319.367 3.453 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc(F)cc1Cl ZINC000485561730 534358863 /nfs/dbraw/zinc/35/88/63/534358863.db2.gz UWWJXRHORLXBJA-UKRRQHHQSA-N 0 0 311.784 3.119 10 30 DGEERN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181577326 534381898 /nfs/dbraw/zinc/38/18/98/534381898.db2.gz RWDYTHZVPUXETG-GFCCVEGCSA-N 0 0 323.396 3.380 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000456003330 534405922 /nfs/dbraw/zinc/40/59/22/534405922.db2.gz IQZKQOSUNXAMOD-ZWNOBZJWSA-N 0 0 301.308 3.019 10 30 DGEERN C=C(CC)CNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000455515618 534407427 /nfs/dbraw/zinc/40/74/27/534407427.db2.gz BINBBDRXPBWSPQ-UHFFFAOYSA-N 0 0 324.371 3.484 10 30 DGEERN Cc1noc(COc2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000301283795 534422148 /nfs/dbraw/zinc/42/21/48/534422148.db2.gz KZPSGWMPIWLSGJ-UHFFFAOYSA-N 0 0 308.297 3.016 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](COC)CC1 ZINC000453423142 534447918 /nfs/dbraw/zinc/44/79/18/534447918.db2.gz BOOBQNKDMIPTFA-LSDHHAIUSA-N 0 0 306.454 3.231 10 30 DGEERN C=CC(C)(C)C(=O)NCc1nc(C)c(Br)s1 ZINC000452399869 534499734 /nfs/dbraw/zinc/49/97/34/534499734.db2.gz RJVXCVPXKSZVTC-UHFFFAOYSA-N 0 0 303.225 3.042 10 30 DGEERN C=CC(C)(C)CNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000454962455 534512481 /nfs/dbraw/zinc/51/24/81/534512481.db2.gz AEWSTVPRAHRMPX-CVEARBPZSA-N 0 0 302.418 3.418 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000455361124 534514062 /nfs/dbraw/zinc/51/40/62/534514062.db2.gz DDOQXDLDIINVCA-GFCCVEGCSA-N 0 0 323.387 3.055 10 30 DGEERN Cc1nc([C@@H](C)NC(=O)c2coc(C3CCOCC3)n2)cs1 ZINC000328807726 534533871 /nfs/dbraw/zinc/53/38/71/534533871.db2.gz NRLAFDBBLOHWNY-SECBINFHSA-N 0 0 321.402 3.399 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000495228226 534550025 /nfs/dbraw/zinc/55/00/25/534550025.db2.gz DGTMAFGTDKGVOX-GOEBONIOSA-N 0 0 302.418 3.376 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)CC1 ZINC000182505414 534576222 /nfs/dbraw/zinc/57/62/22/534576222.db2.gz OUGPZFZSUWOSAZ-KRWDZBQOSA-N 0 0 318.376 3.495 10 30 DGEERN N#CCCCCNC(=O)C1(c2ccccc2Br)CC1 ZINC000191524664 534595802 /nfs/dbraw/zinc/59/58/02/534595802.db2.gz DRRHIEKWNAFGDV-UHFFFAOYSA-N 0 0 321.218 3.291 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455398194 534603284 /nfs/dbraw/zinc/60/32/84/534603284.db2.gz DFRRQBPFXBSCSK-ZACQAIPSSA-N 0 0 313.401 3.064 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000452954183 534605407 /nfs/dbraw/zinc/60/54/07/534605407.db2.gz NDGAPOIEHXXIPY-NEPJUHHUSA-N 0 0 317.282 3.226 10 30 DGEERN CC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000188922344 522668948 /nfs/dbraw/zinc/66/89/48/522668948.db2.gz VFBCHMMMGFAMCZ-MRXNPFEDSA-N 0 0 323.396 3.462 10 30 DGEERN N#CCN(C(=O)C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000172064925 534661348 /nfs/dbraw/zinc/66/13/48/534661348.db2.gz QGNANDKHXAJRCY-OAHLLOKOSA-N 0 0 306.365 3.500 10 30 DGEERN C=C[C@H](CC(=O)N(C)[C@@H](CC(C)C)C(=O)OC)c1ccccc1 ZINC000452919448 534672599 /nfs/dbraw/zinc/67/25/99/534672599.db2.gz DSLBXCWAPIVIAH-WBVHZDCISA-N 0 0 317.429 3.392 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000488875480 534691198 /nfs/dbraw/zinc/69/11/98/534691198.db2.gz GKAFOAPWGUHVLH-ZDUSSCGKSA-N 0 0 316.376 3.133 10 30 DGEERN CCn1cc(C(=O)/C=C\c2cc(OC)ccc2OC)c(C)n1 ZINC000033523249 523313977 /nfs/dbraw/zinc/31/39/77/523313977.db2.gz SGBFKCHAGUALMG-VURMDHGXSA-N 0 0 300.358 3.125 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000455888589 534703163 /nfs/dbraw/zinc/70/31/63/534703163.db2.gz NIXYUDQYDBLABW-UHFFFAOYSA-N 0 0 314.332 3.412 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459774562 534703566 /nfs/dbraw/zinc/70/35/66/534703566.db2.gz JGNGPHASSVLGHB-UHFFFAOYSA-N 0 0 321.396 3.092 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000177204696 534727710 /nfs/dbraw/zinc/72/77/10/534727710.db2.gz BZBPDFQZFVUOAV-DLBZAZTESA-N 0 0 324.380 3.074 10 30 DGEERN C=CCCCS(=O)(=O)N(Cc1ccccc1)c1ccncc1 ZINC000489699393 534739670 /nfs/dbraw/zinc/73/96/70/534739670.db2.gz REBZZGMKQCBPMG-UHFFFAOYSA-N 0 0 316.426 3.384 10 30 DGEERN C=CCCCS(=O)(=O)NCc1cccc(-c2cccnc2)c1 ZINC000489630147 534744700 /nfs/dbraw/zinc/74/47/00/534744700.db2.gz QAYREKVVLDGRGX-UHFFFAOYSA-N 0 0 316.426 3.134 10 30 DGEERN N#C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)C1CC1 ZINC000179556288 534747328 /nfs/dbraw/zinc/74/73/28/534747328.db2.gz ZDLQYJNBERQNME-KRWDZBQOSA-N 0 0 322.364 3.003 10 30 DGEERN N#Cc1ccnc(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000436011336 534823209 /nfs/dbraw/zinc/82/32/09/534823209.db2.gz OWWSNQDKOLPWPW-UHFFFAOYSA-N 0 0 301.733 3.014 10 30 DGEERN N#Cc1ccnc(NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000436022431 534824102 /nfs/dbraw/zinc/82/41/02/534824102.db2.gz ZEMBHIFDAQTVJE-UHFFFAOYSA-N 0 0 317.801 3.479 10 30 DGEERN N#Cc1ccnc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000435992207 534824241 /nfs/dbraw/zinc/82/42/41/534824241.db2.gz GRRJURJSAHREOS-UHFFFAOYSA-N 0 0 301.346 3.213 10 30 DGEERN C=CCN(CC=C)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000488153909 534826074 /nfs/dbraw/zinc/82/60/74/534826074.db2.gz TYBOTZLHJDRKIJ-UHFFFAOYSA-N 0 0 315.413 3.196 10 30 DGEERN CC#CCCCC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000341527989 526289763 /nfs/dbraw/zinc/28/97/63/526289763.db2.gz JXCIEGWJOZZCHU-ZDUSSCGKSA-N 0 0 308.447 3.393 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338534937 526292712 /nfs/dbraw/zinc/29/27/12/526292712.db2.gz JPYXZECKMSRFIH-UHFFFAOYSA-N 0 0 317.311 3.075 10 30 DGEERN CC#CCCCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000185669206 526295271 /nfs/dbraw/zinc/29/52/71/526295271.db2.gz WQMFSQOSWZUAIJ-YOEHRIQHSA-N 0 0 303.377 3.308 10 30 DGEERN C=CCN(CCOC)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000362059779 526302441 /nfs/dbraw/zinc/30/24/41/526302441.db2.gz XJUUPLGZSLCPQK-UHFFFAOYSA-N 0 0 321.446 3.303 10 30 DGEERN CC#CCCCC(=O)Nc1cnc2c(Br)cccn12 ZINC000353742367 526304876 /nfs/dbraw/zinc/30/48/76/526304876.db2.gz UWYMYQNCGZCBHS-UHFFFAOYSA-N 0 0 320.190 3.229 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1noc(CC)n1 ZINC000359375572 526336541 /nfs/dbraw/zinc/33/65/41/526336541.db2.gz HJJHRRHPLDYCDZ-UHFFFAOYSA-N 0 0 311.794 3.175 10 30 DGEERN C=CCN(Cc1cccc(OCCOC)c1)CC(F)(F)F ZINC000092471837 526347397 /nfs/dbraw/zinc/34/73/97/526347397.db2.gz FUMSIRVJGKUHFI-UHFFFAOYSA-N 0 0 303.324 3.262 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1noc(C)n1 ZINC000411190588 526349742 /nfs/dbraw/zinc/34/97/42/526349742.db2.gz HWUIOIUKGRCOOV-LLVKDONJSA-N 0 0 302.334 3.035 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)CCCOC ZINC000349328611 526350219 /nfs/dbraw/zinc/35/02/19/526350219.db2.gz JEPPUBDGUYQFED-CQSZACIVSA-N 0 0 320.389 3.172 10 30 DGEERN C=CCN(Cc1ncc(COC)s1)Cc1cccc(C#N)c1 ZINC000342620444 526383358 /nfs/dbraw/zinc/38/33/58/526383358.db2.gz XMBMMGCOTVYNDP-UHFFFAOYSA-N 0 0 313.426 3.349 10 30 DGEERN C=C(C)CCSCC(=O)NCCCOc1ccccc1F ZINC000350750393 526459409 /nfs/dbraw/zinc/45/94/09/526459409.db2.gz WBEGVZLSYAUFNM-UHFFFAOYSA-N 0 0 311.422 3.410 10 30 DGEERN C=C(C)CCSCC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000350718449 526459669 /nfs/dbraw/zinc/45/96/69/526459669.db2.gz DWOMDVHAOTUWOH-UHFFFAOYSA-N 0 0 311.422 3.492 10 30 DGEERN C=C(C)CCc1noc(C2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000349788283 526466572 /nfs/dbraw/zinc/46/65/72/526466572.db2.gz VCTBHRLVXMRDPJ-UHFFFAOYSA-N 0 0 315.373 3.191 10 30 DGEERN C=C(C)CN(C)c1nnc([C@H]2CCCS2)n1CCCOCC ZINC000424241290 526508331 /nfs/dbraw/zinc/50/83/31/526508331.db2.gz IZRDURZTWWOLOU-CQSZACIVSA-N 0 0 324.494 3.285 10 30 DGEERN C=C(C)CN(CC)C(=O)CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000337840062 526518932 /nfs/dbraw/zinc/51/89/32/526518932.db2.gz LMJASGUIMWMUQY-UHFFFAOYSA-N 0 0 318.461 3.168 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1ccc(C)o1 ZINC000342401467 526554563 /nfs/dbraw/zinc/55/45/63/526554563.db2.gz ZDBMFAFAJPZJGM-UHFFFAOYSA-N 0 0 317.385 3.211 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1ccnc2[nH]cnc21 ZINC000352196596 526568543 /nfs/dbraw/zinc/56/85/43/526568543.db2.gz ATQCTNANUAUZPK-UHFFFAOYSA-N 0 0 306.369 3.176 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/nfs/dbraw/zinc/69/51/62/526695162.db2.gz KOBBNHGQZHSCFC-CQSZACIVSA-N 0 0 320.458 3.025 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000184438751 526695324 /nfs/dbraw/zinc/69/53/24/526695324.db2.gz VTSOJXLXTRWXGH-CABCVRRESA-N 0 0 316.449 3.270 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000184300986 526699882 /nfs/dbraw/zinc/69/98/82/526699882.db2.gz WDVDQAZCPWDBAS-DOMZBBRYSA-N 0 0 315.335 3.155 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000185068567 526705263 /nfs/dbraw/zinc/70/52/63/526705263.db2.gz WMQFJOZEOXIETA-INIZCTEOSA-N 0 0 316.445 3.084 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000343392027 526705387 /nfs/dbraw/zinc/70/53/87/526705387.db2.gz VNRKSOWVLJGHEQ-INIZCTEOSA-N 0 0 308.466 3.228 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000290548669 526709703 /nfs/dbraw/zinc/70/97/03/526709703.db2.gz OVGPAHIOKLWSCM-KBPBESRZSA-N 0 0 316.449 3.441 10 30 DGEERN C#CCCCNC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000173512237 526710579 /nfs/dbraw/zinc/71/05/79/526710579.db2.gz JFZSEWLOADQDTL-CYBMUJFWSA-N 0 0 305.447 3.008 10 30 DGEERN C=CCOCC(=O)NCc1ccccc1OCc1ccccc1 ZINC000354603516 526710783 /nfs/dbraw/zinc/71/07/83/526710783.db2.gz QVTWQLJDPQSQTQ-UHFFFAOYSA-N 0 0 311.381 3.084 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000183790896 526712725 /nfs/dbraw/zinc/71/27/25/526712725.db2.gz SXMLNUAFYRKDGP-WFASDCNBSA-N 0 0 307.365 3.067 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000343973054 526713735 /nfs/dbraw/zinc/71/37/35/526713735.db2.gz XRDLGGJDHASEKQ-HOCLYGCPSA-N 0 0 306.450 3.029 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000184925431 526713834 /nfs/dbraw/zinc/71/38/34/526713834.db2.gz PSPMFRXEXUXDEH-JTQLQIEISA-N 0 0 315.822 3.284 10 30 DGEERN C=CCOCC(=O)N[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000435401641 526718038 /nfs/dbraw/zinc/71/80/38/526718038.db2.gz LPEASIRZQOSQTI-DLBZAZTESA-N 0 0 303.402 3.004 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H]1CSC ZINC000359116951 526718698 /nfs/dbraw/zinc/71/86/98/526718698.db2.gz QZEPKVUGGKWPJW-CQSZACIVSA-N 0 0 318.446 3.446 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC000338870009 526723751 /nfs/dbraw/zinc/72/37/51/526723751.db2.gz XKBTXTMDCVMTAK-AWEZNQCLSA-N 0 0 317.462 3.312 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1CCCC[C@H](CCOC)C1 ZINC000358947980 526724946 /nfs/dbraw/zinc/72/49/46/526724946.db2.gz DNBWFXYPEWTOKX-OAHLLOKOSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCOCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000354582895 526728438 /nfs/dbraw/zinc/72/84/38/526728438.db2.gz SPKIXIQGPGXLQC-UHFFFAOYSA-N 0 0 306.362 3.014 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC000338806708 526728690 /nfs/dbraw/zinc/72/86/90/526728690.db2.gz GWNYPGZAIKVOLP-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN C#CCCNC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000359892188 526732876 /nfs/dbraw/zinc/73/28/76/526732876.db2.gz APFZMOBVIPBDHD-UHFFFAOYSA-N 0 0 313.376 3.219 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCC(C2CCOCC2)CC1)OCC ZINC000363443642 526743251 /nfs/dbraw/zinc/74/32/51/526743251.db2.gz XVFDBIMUWDSQGQ-QGZVFWFLSA-N 0 0 309.450 3.023 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)OCC ZINC000339607415 526747590 /nfs/dbraw/zinc/74/75/90/526747590.db2.gz MQKFBIONZMKDKU-MLGOLLRUSA-N 0 0 318.373 3.244 10 30 DGEERN C=C(C)[C@@H](NC(=O)Nc1nncs1)c1ccc(F)c(F)c1 ZINC000185501940 526757045 /nfs/dbraw/zinc/75/70/45/526757045.db2.gz RPSILRKWJYKBJR-LLVKDONJSA-N 0 0 310.329 3.255 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000408411677 526789102 /nfs/dbraw/zinc/78/91/02/526789102.db2.gz JSWISBGIAYQVBB-GHMZBOCLSA-N 0 0 312.460 3.016 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCc1cccc(F)c1 ZINC000437700758 526797451 /nfs/dbraw/zinc/79/74/51/526797451.db2.gz CUYOJYXWMUCLQR-RDJZCZTQSA-N 0 0 320.408 3.039 10 30 DGEERN C=C(C)[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)OCC ZINC000339607412 526811367 /nfs/dbraw/zinc/81/13/67/526811367.db2.gz MQKFBIONZMKDKU-LRDDRELGSA-N 0 0 318.373 3.244 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](c1nccs1)C(F)(F)F)OCC ZINC000356911710 526814562 /nfs/dbraw/zinc/81/45/62/526814562.db2.gz JFBDENQKPLHXKZ-ONGXEEELSA-N 0 0 322.352 3.234 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CC[C@@H]1COC)c1ccc(F)c(F)c1 ZINC000292471772 526818773 /nfs/dbraw/zinc/81/87/73/526818773.db2.gz CLYWOOGKJZHHEO-DOMZBBRYSA-N 0 0 310.344 3.012 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N(C)Cc1ccc(C)o1 ZINC000124519764 526824901 /nfs/dbraw/zinc/82/49/01/526824901.db2.gz MSOMYWWWSWVUJL-UHFFFAOYSA-N 0 0 315.369 3.434 10 30 DGEERN C=CCOc1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc1 ZINC000442670346 526831237 /nfs/dbraw/zinc/83/12/37/526831237.db2.gz FBPOZQPZDCPOCX-DOMZBBRYSA-N 0 0 300.358 3.441 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(C(C)C)c1 ZINC000435604613 526834554 /nfs/dbraw/zinc/83/45/54/526834554.db2.gz PJVSHVQUHIOLKF-NVXWUHKLSA-N 0 0 323.458 3.070 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000280683328 526841695 /nfs/dbraw/zinc/84/16/95/526841695.db2.gz MMEIZKPJZCFPHO-NOXHYTERSA-N 0 0 323.795 3.432 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000128175068 526842209 /nfs/dbraw/zinc/84/22/09/526842209.db2.gz IZKPSMTZCANISU-QFBILLFUSA-N 0 0 315.413 3.019 10 30 DGEERN C=C(CNC(=O)NCCC[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000358565886 526871012 /nfs/dbraw/zinc/87/10/12/526871012.db2.gz BARWAQDTISNFNY-QZTJIDSGSA-N 0 0 316.445 3.330 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@H](C)c2cccnc2)cc1 ZINC000355706092 526875628 /nfs/dbraw/zinc/87/56/28/526875628.db2.gz OPSJBUCCSDRDTH-HNNXBMFYSA-N 0 0 310.397 3.456 10 30 DGEERN C=C(CNC(=O)c1cc(-c2cccnc2)on1)c1ccccc1 ZINC000360214762 526877409 /nfs/dbraw/zinc/87/74/09/526877409.db2.gz XJAMMRRWYJGLPH-UHFFFAOYSA-N 0 0 305.337 3.180 10 30 DGEERN C=CCOc1ccc(CNC(=O)NCCCCSC)cc1 ZINC000345016904 526878849 /nfs/dbraw/zinc/87/88/49/526878849.db2.gz QJDNRSVSSJUOKV-UHFFFAOYSA-N 0 0 308.447 3.194 10 30 DGEERN C=C(CNC(=O)c1ccc(-c2ncon2)cc1)c1ccccc1 ZINC000345704047 526879324 /nfs/dbraw/zinc/87/93/24/526879324.db2.gz CTTOQNYKESAZTE-UHFFFAOYSA-N 0 0 305.337 3.180 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2cccc(NC(C)=O)c2)cc1 ZINC000355732211 526884555 /nfs/dbraw/zinc/88/45/55/526884555.db2.gz AUKKWLJJLPXFRF-UHFFFAOYSA-N 0 0 324.380 3.140 10 30 DGEERN C=C1CCN(C(=O)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000340161277 526897215 /nfs/dbraw/zinc/89/72/15/526897215.db2.gz XUCYMMIHKHCVIJ-SFHVURJKSA-N 0 0 315.413 3.102 10 30 DGEERN C=C1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000282299087 526897888 /nfs/dbraw/zinc/89/78/88/526897888.db2.gz SLXRZHLORZHPSF-UHFFFAOYSA-N 0 0 320.190 3.118 10 30 DGEERN C=CCOc1ccccc1CN(C)Cc1nncn1C(C)C ZINC000430191558 526929135 /nfs/dbraw/zinc/92/91/35/526929135.db2.gz KNBIMJLZVVJSGA-UHFFFAOYSA-N 0 0 300.406 3.056 10 30 DGEERN C=CCOc1cccnc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000357685824 526963739 /nfs/dbraw/zinc/96/37/39/526963739.db2.gz HTXCWZFXENZFDX-HOTGVXAUSA-N 0 0 308.381 3.180 10 30 DGEERN C=CC1CCN(C(=O)NCCc2cc(C)c(O)c(C)c2)CC1 ZINC000190920380 526965308 /nfs/dbraw/zinc/96/53/08/526965308.db2.gz NDVWSQJPFYYPFX-UHFFFAOYSA-N 0 0 302.418 3.159 10 30 DGEERN C=CCSCCNC(=O)CSc1ccc2c(c1)CCC2 ZINC000345084679 526985825 /nfs/dbraw/zinc/98/58/25/526985825.db2.gz XPKNZRKEFWUATB-UHFFFAOYSA-N 0 0 307.484 3.303 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000176241218 526995792 /nfs/dbraw/zinc/99/57/92/526995792.db2.gz BISSHOKPBBIPFW-LLVKDONJSA-N 0 0 312.410 3.114 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000433287298 527010938 /nfs/dbraw/zinc/01/09/38/527010938.db2.gz OZBGDVPHUZOZNW-AWEZNQCLSA-N 0 0 315.417 3.014 10 30 DGEERN C=CCC(C)(C)c1noc(C[C@@H](NC(C)=O)c2ccccc2)n1 ZINC000340831778 527021244 /nfs/dbraw/zinc/02/12/44/527021244.db2.gz UFXGRGDSGNNYSU-OAHLLOKOSA-N 0 0 313.401 3.343 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360556459 527024922 /nfs/dbraw/zinc/02/49/22/527024922.db2.gz JZICQPXBSPTRJM-GOSISDBHSA-N 0 0 315.413 3.061 10 30 DGEERN C=CCC(CC=C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361166629 527027740 /nfs/dbraw/zinc/02/77/40/527027740.db2.gz NKNSINKBDLHQCG-HNNXBMFYSA-N 0 0 301.386 3.101 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCC1 ZINC000360556795 527045818 /nfs/dbraw/zinc/04/58/18/527045818.db2.gz NLTQVHHQASATOY-QGZVFWFLSA-N 0 0 315.413 3.039 10 30 DGEERN C=CCC1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CCOCC1 ZINC000424565049 527049239 /nfs/dbraw/zinc/04/92/39/527049239.db2.gz ORGUAXMRWSQVEK-UHFFFAOYSA-N 0 0 324.424 3.426 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000341660015 527050295 /nfs/dbraw/zinc/05/02/95/527050295.db2.gz YOXXMEXFCBOALQ-SJLPKXTDSA-N 0 0 317.429 3.394 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)c2nc(C)cs2)CCOCC1 ZINC000424769269 527055026 /nfs/dbraw/zinc/05/50/26/527055026.db2.gz AMZBABWKWWILAP-LBPRGKRZSA-N 0 0 308.447 3.044 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OCC(C)C)nc2)CCOCC1 ZINC000424681939 527060314 /nfs/dbraw/zinc/06/03/14/527060314.db2.gz WBZXPOOOTGFRDD-UHFFFAOYSA-N 0 0 318.417 3.428 10 30 DGEERN C=CCC1(C(=O)Nc2nc3ccc(F)cc3n2C)CCOCC1 ZINC000424773377 527062372 /nfs/dbraw/zinc/06/23/72/527062372.db2.gz FWSHVMALPMQMFD-UHFFFAOYSA-N 0 0 317.364 3.024 10 30 DGEERN C=CCCC(=O)N(C(C)C)C1CCN(C(=O)CCC=C)CC1 ZINC000354829328 527066892 /nfs/dbraw/zinc/06/68/92/527066892.db2.gz BBWKRBBLWUHVDA-UHFFFAOYSA-N 0 0 306.450 3.147 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCc1csc2ccccc12 ZINC000185770150 527086872 /nfs/dbraw/zinc/08/68/72/527086872.db2.gz AFZRUDCBIGAVGR-AWEZNQCLSA-N 0 0 303.427 3.277 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000188796877 527086965 /nfs/dbraw/zinc/08/69/65/527086965.db2.gz OALKMASGZUPEDT-HNNXBMFYSA-N 0 0 309.837 3.352 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000346316622 527090268 /nfs/dbraw/zinc/09/02/68/527090268.db2.gz BESRKYFUQWJPEQ-GJZGRUSLSA-N 0 0 316.445 3.078 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000359978299 527093941 /nfs/dbraw/zinc/09/39/41/527093941.db2.gz ZENACXJHTCXZMB-INIZCTEOSA-N 0 0 311.385 3.116 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000440995809 527094588 /nfs/dbraw/zinc/09/45/88/527094588.db2.gz ADDMQPLBLCZNRC-RDJZCZTQSA-N 0 0 316.445 3.326 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000185756931 527101103 /nfs/dbraw/zinc/10/11/03/527101103.db2.gz PZIPVZJWTZAHIT-AWEZNQCLSA-N 0 0 301.411 3.390 10 30 DGEERN C=CC[C@@H](CO)NCc1csc(COc2ccc(C)cc2)n1 ZINC000184282149 527102795 /nfs/dbraw/zinc/10/27/95/527102795.db2.gz XFFCEAMRDIBFKU-AWEZNQCLSA-N 0 0 318.442 3.057 10 30 DGEERN C=CC[C@H](C(=O)N1CCOc2nc(C)ccc21)c1ccccc1 ZINC000189129919 527120691 /nfs/dbraw/zinc/12/06/91/527120691.db2.gz GDEAXRPNWDCNOK-INIZCTEOSA-N 0 0 308.381 3.475 10 30 DGEERN C=CCCCCCN(C)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000156847537 527122969 /nfs/dbraw/zinc/12/29/69/527122969.db2.gz IBEXMCQFTRKPFN-UHFFFAOYSA-N 0 0 312.413 3.206 10 30 DGEERN C#CCOc1ccccc1CNc1cccc2c1OCC[C@H]2O ZINC000184069161 527129375 /nfs/dbraw/zinc/12/93/75/527129375.db2.gz DOZRYPMDLOGCBZ-QGZVFWFLSA-N 0 0 309.365 3.127 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416728981 527149008 /nfs/dbraw/zinc/14/90/08/527149008.db2.gz YRHWUWDFCMAWQC-HOTGVXAUSA-N 0 0 317.433 3.298 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000369168920 527155315 /nfs/dbraw/zinc/15/53/15/527155315.db2.gz WNEAMYJAYWYBKU-IKGGRYGDSA-N 0 0 302.418 3.418 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000341660014 527160249 /nfs/dbraw/zinc/16/02/49/527160249.db2.gz YOXXMEXFCBOALQ-FUHWJXTLSA-N 0 0 317.429 3.394 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCc2sccc2C1 ZINC000285812907 527172209 /nfs/dbraw/zinc/17/22/09/527172209.db2.gz VBYCNPHDTASQTR-QGZVFWFLSA-N 0 0 324.449 3.450 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1c(OC)cccc1OC ZINC000287360426 527173544 /nfs/dbraw/zinc/17/35/44/527173544.db2.gz NRMRNICTOWSVFS-MRXNPFEDSA-N 0 0 323.392 3.068 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000283283731 527183701 /nfs/dbraw/zinc/18/37/01/527183701.db2.gz WBUFLMRITARFFO-INIZCTEOSA-N 0 0 315.417 3.096 10 30 DGEERN C=CCCCN(C)C(=O)c1c2ccccc2nc2c1CN(C)CC2 ZINC000346798769 527188902 /nfs/dbraw/zinc/18/89/02/527188902.db2.gz NMAANSOIRUVDAN-UHFFFAOYSA-N 0 0 323.440 3.261 10 30 DGEERN CC(=O)c1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)n(C)c1 ZINC000352165646 527201403 /nfs/dbraw/zinc/20/14/03/527201403.db2.gz HOZBIAAMOQEUHO-QGZVFWFLSA-N 0 0 323.396 3.393 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000185765001 527206815 /nfs/dbraw/zinc/20/68/15/527206815.db2.gz CJSKASVXWKJJDG-SECBINFHSA-N 0 0 307.699 3.026 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1Oc1cccc(C)c1 ZINC000442841378 527207814 /nfs/dbraw/zinc/20/78/14/527207814.db2.gz MKJVFVNDBZPSGO-OAHLLOKOSA-N 0 0 311.381 3.454 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000185795071 527209323 /nfs/dbraw/zinc/20/93/23/527209323.db2.gz KCUJAZLZLSSECP-GFCCVEGCSA-N 0 0 322.817 3.130 10 30 DGEERN CC(=O)c1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)ccc1F ZINC000352120739 527213431 /nfs/dbraw/zinc/21/34/31/527213431.db2.gz NBOOQYGPRVNDTL-JTQLQIEISA-N 0 0 303.337 3.184 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000413833221 527216490 /nfs/dbraw/zinc/21/64/90/527216490.db2.gz KFQIVOQUCZHXMI-LISAXSMJSA-N 0 0 316.445 3.381 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000420866377 527220388 /nfs/dbraw/zinc/22/03/88/527220388.db2.gz XNSBZIRCDNRSPK-FGTMMUONSA-N 0 0 316.445 3.431 10 30 DGEERN C=CC[C@H]1N(S(=O)(=O)CC2(C#N)CCCC2)CCCC1(C)C ZINC000443965826 527226658 /nfs/dbraw/zinc/22/66/58/527226658.db2.gz KTLXDQUYSGIOST-OAHLLOKOSA-N 0 0 324.490 3.467 10 30 DGEERN C=CCc1ccc(OC(=O)c2cnc(C3CC3)nc2)c(OC)c1 ZINC000295893019 527247005 /nfs/dbraw/zinc/24/70/05/527247005.db2.gz CBVHCJLGAPDEOU-UHFFFAOYSA-N 0 0 310.353 3.310 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000337919626 527271508 /nfs/dbraw/zinc/27/15/08/527271508.db2.gz XQNQPUMZHWWUFM-KSSFIOAISA-N 0 0 311.433 3.476 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000350751288 527272922 /nfs/dbraw/zinc/27/29/22/527272922.db2.gz CMGHYNCAOJUASH-HIFRSBDPSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000350667615 527281960 /nfs/dbraw/zinc/28/19/60/527281960.db2.gz PXBUKUVEVLUMKP-DZGCQCFKSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCn1c(C(C)C)nnc1N(CCC)C[C@H]1CCCCO1 ZINC000350729054 527290388 /nfs/dbraw/zinc/29/03/88/527290388.db2.gz IIKWRYZYUYVBLG-OAHLLOKOSA-N 0 0 306.454 3.373 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCO[C@H](c2cccs2)C1 ZINC000337917692 527291593 /nfs/dbraw/zinc/29/15/93/527291593.db2.gz VVEPQUPKZBTCJO-ZDUSSCGKSA-N 0 0 318.446 3.227 10 30 DGEERN CC(=O)c1ccc(NC(=O)NCC2(C#N)CCC2)cc1Cl ZINC000417011222 527305151 /nfs/dbraw/zinc/30/51/51/527305151.db2.gz XPSRWZWTFLAUKI-UHFFFAOYSA-N 0 0 305.765 3.358 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCC(OCC(C)C)CC1 ZINC000337901386 527311792 /nfs/dbraw/zinc/31/17/92/527311792.db2.gz JFXRGWAQPKYEFK-UHFFFAOYSA-N 0 0 320.481 3.304 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(C)(C)C1 ZINC000337917458 527320037 /nfs/dbraw/zinc/32/00/37/527320037.db2.gz VQDBEHOLUWTMOE-UHFFFAOYSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC000424143750 527320206 /nfs/dbraw/zinc/32/02/06/527320206.db2.gz RIIZEBJPCLWXNG-HUUCEWRRSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCCCCC1 ZINC000350653107 527320332 /nfs/dbraw/zinc/32/03/32/527320332.db2.gz LVPYZXRHVQYKCH-UHFFFAOYSA-N 0 0 300.406 3.223 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC[C@H]1CC(C)(C)C ZINC000350599099 527323471 /nfs/dbraw/zinc/32/34/71/527323471.db2.gz NUBRRAKJVQGYQK-AWEZNQCLSA-N 0 0 306.454 3.406 10 30 DGEERN C=CCCOCCCCC(=O)N1CCc2cc(OC)ccc21 ZINC000342846703 527333340 /nfs/dbraw/zinc/33/33/40/527333340.db2.gz FISIQMCZIVWUSX-UHFFFAOYSA-N 0 0 303.402 3.347 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000351120051 527347825 /nfs/dbraw/zinc/34/78/25/527347825.db2.gz VZBPYFPPCWDDSG-LSDHHAIUSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC ZINC000282228964 527349638 /nfs/dbraw/zinc/34/96/38/527349638.db2.gz JGXIORAHVPJLGT-GFCCVEGCSA-N 0 0 304.369 3.199 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000337837386 527356911 /nfs/dbraw/zinc/35/69/11/527356911.db2.gz CUVIGKFZYKSJDA-OAGGEKHMSA-N 0 0 318.465 3.231 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181494190 527359384 /nfs/dbraw/zinc/35/93/84/527359384.db2.gz OWOMXLXHDLULLJ-RHSMWYFYSA-N 0 0 302.418 3.120 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)C1CCC1 ZINC000350598455 527360903 /nfs/dbraw/zinc/36/09/03/527360903.db2.gz MQUFAWXYKYUROO-MRXNPFEDSA-N 0 0 310.401 3.129 10 30 DGEERN CC(=O)c1cccc(OCCCC(=O)NC2(C#N)CCCC2)c1 ZINC000059009209 527375600 /nfs/dbraw/zinc/37/56/00/527375600.db2.gz QPMPPXUTNOQCIR-UHFFFAOYSA-N 0 0 314.385 3.001 10 30 DGEERN C=CCCO[C@H](C)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000337613667 527387846 /nfs/dbraw/zinc/38/78/46/527387846.db2.gz YLBRUNNAVLHRBJ-OAHLLOKOSA-N 0 0 305.418 3.252 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000340767231 527403755 /nfs/dbraw/zinc/40/37/55/527403755.db2.gz GIRUFPCIESXLNL-LLVKDONJSA-N 0 0 315.364 3.396 10 30 DGEERN C=CCCS(=O)(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC000425210527 527412732 /nfs/dbraw/zinc/41/27/32/527412732.db2.gz RNTCOQIIHJRETI-UHFFFAOYSA-N 0 0 317.838 3.079 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000135357591 527418592 /nfs/dbraw/zinc/41/85/92/527418592.db2.gz SZSBPARTYOEMBR-HNNXBMFYSA-N 0 0 309.413 3.476 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000417610902 527425192 /nfs/dbraw/zinc/42/51/92/527425192.db2.gz OEKWDBFUYCIMCJ-VIFPVBQESA-N 0 0 321.270 3.233 10 30 DGEERN C=CCC[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 ZINC000178824494 527443035 /nfs/dbraw/zinc/44/30/35/527443035.db2.gz BGYAEYQHIAMORU-MRXNPFEDSA-N 0 0 311.385 3.214 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000428042994 527447246 /nfs/dbraw/zinc/44/72/46/527447246.db2.gz OBEURPLKOFHDKU-CYBMUJFWSA-N 0 0 307.340 3.495 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000357473905 527450255 /nfs/dbraw/zinc/45/02/55/527450255.db2.gz WKDOUZWUTYQEDB-MRXNPFEDSA-N 0 0 318.442 3.307 10 30 DGEERN CC(C)(C#N)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000408066813 527451853 /nfs/dbraw/zinc/45/18/53/527451853.db2.gz DFFRHMNHPJXZIS-LBPRGKRZSA-N 0 0 307.191 3.102 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000080738115 527457219 /nfs/dbraw/zinc/45/72/19/527457219.db2.gz ZNPVBFSKJURAKP-IAGOWNOFSA-N 0 0 308.385 3.170 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000365071156 527458018 /nfs/dbraw/zinc/45/80/18/527458018.db2.gz JGUFHZUIGJRZHJ-KRWDZBQOSA-N 0 0 322.412 3.124 10 30 DGEERN CC(C)(C#N)CCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000174839097 527462074 /nfs/dbraw/zinc/46/20/74/527462074.db2.gz VRKPPGVFXJLFDP-OAHLLOKOSA-N 0 0 315.465 3.471 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H](CCC)C(=O)OC)c1ccccc1 ZINC000428025067 527463313 /nfs/dbraw/zinc/46/33/13/527463313.db2.gz QPYWXQGQKOGBQR-HOTGVXAUSA-N 0 0 303.402 3.194 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000298526570 527463639 /nfs/dbraw/zinc/46/36/39/527463639.db2.gz WWYUQGFJQZKQLB-NXHRZFHOSA-N 0 0 301.430 3.404 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416052186 527484824 /nfs/dbraw/zinc/48/48/24/527484824.db2.gz LRYNRZWBXQAIET-INMHGKMJSA-N 0 0 321.367 3.089 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)c1ccccc1N)c1ccccc1 ZINC000342494214 527486382 /nfs/dbraw/zinc/48/63/82/527486382.db2.gz LCPRMNOTQLBWRI-INIZCTEOSA-N 0 0 316.426 3.255 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000424935139 527493261 /nfs/dbraw/zinc/49/32/61/527493261.db2.gz WUHOSCHEZPPHNO-LPHOPBHVSA-N 0 0 324.424 3.322 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCC(C)C)CC1 ZINC000425568191 527493807 /nfs/dbraw/zinc/49/38/07/527493807.db2.gz VRSCMQKULYFJGE-IRXDYDNUSA-N 0 0 308.466 3.435 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2cc(F)ccc2s1 ZINC000424917052 527497870 /nfs/dbraw/zinc/49/78/70/527497870.db2.gz RYFABLYGTFBFNA-GWCFXTLKSA-N 0 0 305.374 3.361 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1ccc(NC(C)=O)cn1 ZINC000337125347 527511445 /nfs/dbraw/zinc/51/14/45/527511445.db2.gz DWEBFSXMDZZPJR-UHFFFAOYSA-N 0 0 309.369 3.411 10 30 DGEERN C=CCCn1cc(-c2nc([C@@H](C)Oc3ccccc3)no2)nn1 ZINC000424348986 527515240 /nfs/dbraw/zinc/51/52/40/527515240.db2.gz PVBJQCNLKHHIMW-GFCCVEGCSA-N 0 0 311.345 3.044 10 30 DGEERN C/C(=C\C(=O)N[C@H](C#N)c1ccc(Br)cc1)C1CC1 ZINC000264926796 527519844 /nfs/dbraw/zinc/51/98/44/527519844.db2.gz WVPXUVOENWMACN-QSYFUGGGSA-N 0 0 319.202 3.486 10 30 DGEERN C=CCN(C(=O)c1cc(C)n(Cc2ccncc2)c1C)C1CC1 ZINC000358004485 527547689 /nfs/dbraw/zinc/54/76/89/527547689.db2.gz OZHAZWMUAAVZTG-UHFFFAOYSA-N 0 0 309.413 3.339 10 30 DGEERN C=CCN(C)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000430313220 527564937 /nfs/dbraw/zinc/56/49/37/527564937.db2.gz SMGAPQBXFQUGMG-OAHLLOKOSA-N 0 0 302.422 3.203 10 30 DGEERN C=C[C@H](C)NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000349415708 527567302 /nfs/dbraw/zinc/56/73/02/527567302.db2.gz RLYRUXRHDUWQQF-ZFWWWQNUSA-N 0 0 301.434 3.184 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000417628178 527578818 /nfs/dbraw/zinc/57/88/18/527578818.db2.gz QMUQYKVFCTZDAA-GFCCVEGCSA-N 0 0 317.307 3.137 10 30 DGEERN C=CCN(C)c1nnc(CCC(C)C)n1C[C@@H]1CCCCO1 ZINC000339122404 527578653 /nfs/dbraw/zinc/57/86/53/527578653.db2.gz DVCPQJCZYDRYBS-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000417622205 527578996 /nfs/dbraw/zinc/57/89/96/527578996.db2.gz GWTNZEBDLDCYLS-GFCCVEGCSA-N 0 0 317.307 3.137 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000413275591 527586438 /nfs/dbraw/zinc/58/64/38/527586438.db2.gz BFLBMDZZNIABLQ-QWHCGFSZSA-N 0 0 313.319 3.376 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Oc1cccc(F)c1 ZINC000299318615 527587062 /nfs/dbraw/zinc/58/70/62/527587062.db2.gz WIUCTYSCCRRNDQ-JTQLQIEISA-N 0 0 305.271 3.170 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2cc(OC)ccc2n1 ZINC000336976628 527588135 /nfs/dbraw/zinc/58/81/35/527588135.db2.gz XFUVOKPQLRQGPA-UHFFFAOYSA-N 0 0 324.302 3.434 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)CO[C@@H](C)c1nccn1C ZINC000353483786 527595086 /nfs/dbraw/zinc/59/50/86/527595086.db2.gz XPYDYHMXUCBYOU-HNNXBMFYSA-N 0 0 319.449 3.093 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)CO[C@H](C)c1nccn1C ZINC000353483787 527595486 /nfs/dbraw/zinc/59/54/86/527595486.db2.gz XPYDYHMXUCBYOU-OAHLLOKOSA-N 0 0 319.449 3.093 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000188054403 527620671 /nfs/dbraw/zinc/62/06/71/527620671.db2.gz VCEWFONGOVVRJG-SJKOYZFVSA-N 0 0 309.381 3.240 10 30 DGEERN C=CCN(CC=C)C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184674243 527621923 /nfs/dbraw/zinc/62/19/23/527621923.db2.gz QHPNYZKQZQGSQB-UHFFFAOYSA-N 0 0 308.385 3.027 10 30 DGEERN CC(C)[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000180489727 527839398 /nfs/dbraw/zinc/83/93/98/527839398.db2.gz WJQWNOZWENPLTG-MRXNPFEDSA-N 0 0 314.454 3.455 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCCCC#N)C12CCCC2 ZINC000172621736 527896523 /nfs/dbraw/zinc/89/65/23/527896523.db2.gz FOXYSPWXEBRMLG-LSDHHAIUSA-N 0 0 307.438 3.059 10 30 DGEERN CCO[C@H](C)c1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1 ZINC000174449124 528008610 /nfs/dbraw/zinc/00/86/10/528008610.db2.gz JIYJDMYKNQQVMJ-GFCCVEGCSA-N 0 0 321.446 3.283 10 30 DGEERN CCCCCCCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135840666 528120184 /nfs/dbraw/zinc/12/01/84/528120184.db2.gz XMQOFEOGYZXNND-UHFFFAOYSA-N 0 0 303.410 3.120 10 30 DGEERN CC(C)c1ccc(OCCC(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436013593 528120600 /nfs/dbraw/zinc/12/06/00/528120600.db2.gz NJEQFWPONOTNFG-UHFFFAOYSA-N 0 0 309.369 3.484 10 30 DGEERN CCCCCCCCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181406425 528121813 /nfs/dbraw/zinc/12/18/13/528121813.db2.gz RXDAAROPBZRQPX-QGZVFWFLSA-N 0 0 320.481 3.034 10 30 DGEERN CCOc1c(Cl)cccc1CC(=O)Nc1cc(C#N)ccn1 ZINC000435994969 528176939 /nfs/dbraw/zinc/17/69/39/528176939.db2.gz MTKWGBFGBACMTL-UHFFFAOYSA-N 0 0 315.760 3.187 10 30 DGEERN CC(C)C[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000441030016 528601411 /nfs/dbraw/zinc/60/14/11/528601411.db2.gz GTVAVVQABUAHGE-GQGLESIBSA-N 0 0 321.465 3.209 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CN(c1ccc(F)cc1)C(C)C ZINC000155055523 528619772 /nfs/dbraw/zinc/61/97/72/528619772.db2.gz ICXOXZMMGLJELY-AWEZNQCLSA-N 0 0 305.397 3.049 10 30 DGEERN CC(C)n1nnnc1CNc1ccccc1C#Cc1ccccc1 ZINC000177262497 528700978 /nfs/dbraw/zinc/70/09/78/528700978.db2.gz FYNCVBNIASEAOX-UHFFFAOYSA-N 0 0 317.396 3.266 10 30 DGEERN CCC(CC)N(CCOC)C(=O)NCC1CCC(C#N)CC1 ZINC000442742644 528777096 /nfs/dbraw/zinc/77/70/96/528777096.db2.gz XOFIFSZPJCHPQD-UHFFFAOYSA-N 0 0 309.454 3.163 10 30 DGEERN CCCc1occc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374456469 528801366 /nfs/dbraw/zinc/80/13/66/528801366.db2.gz MIGAXVZMDLSEGO-UHFFFAOYSA-N 0 0 323.396 3.325 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000172946809 528857526 /nfs/dbraw/zinc/85/75/26/528857526.db2.gz VVXNHNNWOMODHU-GOSISDBHSA-N 0 0 324.384 3.282 10 30 DGEERN CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000357134282 529212626 /nfs/dbraw/zinc/21/26/26/529212626.db2.gz WIMCHBDEQCWTJN-ZIAGYGMSSA-N 0 0 309.479 3.386 10 30 DGEERN CC[C@H](CC#N)NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000183917188 529297404 /nfs/dbraw/zinc/29/74/04/529297404.db2.gz WRRTUXODVVEEGA-LLVKDONJSA-N 0 0 317.776 3.075 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2sccc2C#N)cc1F ZINC000052029205 545690598 /nfs/dbraw/zinc/69/05/98/545690598.db2.gz ABLSWEXGNNSAIA-SECBINFHSA-N 0 0 304.346 3.258 10 30 DGEERN Cc1ccc(OCCN(C)C(=O)c2sccc2C#N)cc1 ZINC000052029362 545690969 /nfs/dbraw/zinc/69/09/69/545690969.db2.gz QBIVXLLTGXAQQO-UHFFFAOYSA-N 0 0 300.383 3.079 10 30 DGEERN O=C(Cc1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000096348827 545861803 /nfs/dbraw/zinc/86/18/03/545861803.db2.gz XDQWSDGRSUPYEJ-UHFFFAOYSA-N 0 0 317.310 3.416 10 30 DGEERN C=CCOc1ccc(CNc2ccc(N3CCCC3=O)cn2)cc1 ZINC000158953476 546049651 /nfs/dbraw/zinc/04/96/51/546049651.db2.gz MHIBMYCAUFIVEV-UHFFFAOYSA-N 0 0 323.396 3.385 10 30 DGEERN CO[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1C ZINC000299923618 546435061 /nfs/dbraw/zinc/43/50/61/546435061.db2.gz WYGAFIJSZRZAKP-YGRLFVJLSA-N 0 0 309.207 3.182 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000320186757 546467035 /nfs/dbraw/zinc/46/70/35/546467035.db2.gz UBLGCIHLIMAEBI-SECBINFHSA-N 0 0 313.781 3.361 10 30 DGEERN Cc1cn2c(n1)[C@@H](CNC(=O)CCC1CCOCC1)CCC2 ZINC000328817813 546481524 /nfs/dbraw/zinc/48/15/24/546481524.db2.gz OCEKBLYLPCVXAB-OAHLLOKOSA-N 0 0 305.422 3.232 10 30 DGEERN CC[C@H](C)n1ncc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C1CC1 ZINC000328923662 546482257 /nfs/dbraw/zinc/48/22/57/546482257.db2.gz NGAZWWOVFPVJEG-YNEHKIRRSA-N 0 0 320.437 3.386 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000330178219 546495814 /nfs/dbraw/zinc/49/58/14/546495814.db2.gz DLRKWXPAOOPYCD-WRWGMCAJSA-N 0 0 308.344 3.036 10 30 DGEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000332771435 546499766 /nfs/dbraw/zinc/49/97/66/546499766.db2.gz SFEJVMLVIOZFTR-XLAORIBOSA-N 0 0 312.413 3.271 10 30 DGEERN C=C(C)[C@H](CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C)OCC ZINC000339203146 546535313 /nfs/dbraw/zinc/53/53/13/546535313.db2.gz FVSDRJSFVFLQSI-NJAFHUGGSA-N 0 0 317.429 3.346 10 30 DGEERN C=CCCCCCNc1nn2cc(-c3cccnc3)nc2s1 ZINC000581440188 547021021 /nfs/dbraw/zinc/02/10/21/547021021.db2.gz YHFZMEVXOZKPQA-UHFFFAOYSA-N 0 0 313.430 4.011 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)C(=O)c1cc(F)ccc1F ZINC000730302426 574524997 /nfs/dbraw/zinc/52/49/97/574524997.db2.gz ABCDRCJFWXJXQZ-QWRGUYRKSA-N 0 0 312.312 3.060 10 30 DGEERN C#CCOc1cccc(COC(=O)c2ccccc2OCC)c1 ZINC000730404419 574528663 /nfs/dbraw/zinc/52/86/63/574528663.db2.gz BIVYYPAOFWNGGL-UHFFFAOYSA-N 0 0 310.349 3.454 10 30 DGEERN C#CCOc1cccc(COC(=O)C2(c3ccccc3)CC2)c1 ZINC000730404739 574528868 /nfs/dbraw/zinc/52/88/68/574528868.db2.gz MTNCNQMQMLYMJT-UHFFFAOYSA-N 0 0 306.361 3.474 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@@H](C)OCCC(C)C)c1 ZINC000730406294 574528997 /nfs/dbraw/zinc/52/89/97/574528997.db2.gz QVTVTIDOODZJSV-OAHLLOKOSA-N 0 0 304.386 3.193 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)C[C@H]1CCCc2ccccc21 ZINC000730966959 574539769 /nfs/dbraw/zinc/53/97/69/574539769.db2.gz OOXKEZARENLGPT-MRXNPFEDSA-N 0 0 315.413 3.074 10 30 DGEERN C#CCOc1ccc(NC(=O)NCc2ccc(Cl)o2)cc1 ZINC000731112034 574543855 /nfs/dbraw/zinc/54/38/55/574543855.db2.gz WIUKYPMXHIRTDT-UHFFFAOYSA-N 0 0 304.733 3.267 10 30 DGEERN C=CC1CCN(C(=O)Nc2cc(NC(C)=O)c(F)cc2F)CC1 ZINC000732429153 574574257 /nfs/dbraw/zinc/57/42/57/574574257.db2.gz RUEQFIAQWDPDMA-UHFFFAOYSA-N 0 0 323.343 3.353 10 30 DGEERN N#C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCN1C1CC1 ZINC000732668901 574578386 /nfs/dbraw/zinc/57/83/86/574578386.db2.gz RQWVNAWWMQJXLW-ZDUSSCGKSA-N 0 0 310.228 3.166 10 30 DGEERN CCC[C@H](CC1CCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000733220018 574608462 /nfs/dbraw/zinc/60/84/62/574608462.db2.gz DLXSSSZRIRYZCT-AEFFLSMTSA-N 0 0 317.477 3.182 10 30 DGEERN C#CCCNC(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000733335734 574616677 /nfs/dbraw/zinc/61/66/77/574616677.db2.gz IOVFFTOMWXAIDK-UHFFFAOYSA-N 0 0 303.362 3.018 10 30 DGEERN C#CCCNC(=O)Nc1ccccc1SCC(F)(F)F ZINC000733619692 574631801 /nfs/dbraw/zinc/63/18/01/574631801.db2.gz WSDJMLAFNACBME-UHFFFAOYSA-N 0 0 302.321 3.486 10 30 DGEERN C#CCCNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000733623127 574632004 /nfs/dbraw/zinc/63/20/04/574632004.db2.gz VTBTVSDDTAHUEB-UHFFFAOYSA-N 0 0 307.353 3.084 10 30 DGEERN C#CCCNC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000733630405 574632769 /nfs/dbraw/zinc/63/27/69/574632769.db2.gz GASHHELWRARCCQ-UHFFFAOYSA-N 0 0 300.280 3.081 10 30 DGEERN CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)[nH]c2C)c1 ZINC000733772840 574638701 /nfs/dbraw/zinc/63/87/01/574638701.db2.gz HUFSLSVKKCOZHB-HNNXBMFYSA-N 0 0 311.385 3.243 10 30 DGEERN C=CCN(C(=O)C(=O)c1ccc(Br)cc1)C(C)C ZINC000733918105 574644680 /nfs/dbraw/zinc/64/46/80/574644680.db2.gz XXFQBWDZFRTRPR-UHFFFAOYSA-N 0 0 310.191 3.055 10 30 DGEERN C=C(COC(=O)c1ccc(SC(F)F)cc1)C(=O)OCC ZINC000734026324 574647427 /nfs/dbraw/zinc/64/74/27/574647427.db2.gz KSECNMAYXVNAKZ-UHFFFAOYSA-N 0 0 316.325 3.277 10 30 DGEERN C=C(COC(=O)c1cc2ccc(F)cc2s1)C(=O)OCC ZINC000734027400 574647481 /nfs/dbraw/zinc/64/74/81/574647481.db2.gz MMMVJERXDZIJAY-UHFFFAOYSA-N 0 0 308.330 3.317 10 30 DGEERN C=C(COC(=O)c1ccc(-c2ccccc2F)o1)C(=O)OCC ZINC000734027061 574647550 /nfs/dbraw/zinc/64/75/50/574647550.db2.gz FWRRUTFYOJLTGM-UHFFFAOYSA-N 0 0 318.300 3.362 10 30 DGEERN C=C(COC(=O)c1cccc(OC2CCCC2)c1)C(=O)OCC ZINC000734033674 574647709 /nfs/dbraw/zinc/64/77/09/574647709.db2.gz UZYCLTMQVHHLRT-UHFFFAOYSA-N 0 0 318.369 3.284 10 30 DGEERN C=C(COC(=O)Cc1cc(Cl)ccc1Cl)C(=O)OCC ZINC000734029688 574647923 /nfs/dbraw/zinc/64/79/23/574647923.db2.gz UZZVRKUKANREPU-UHFFFAOYSA-N 0 0 317.168 3.198 10 30 DGEERN C#CCOc1ccccc1CNC(=O)c1ccc(C)c(OCC)c1 ZINC000734103374 574649948 /nfs/dbraw/zinc/64/99/48/574649948.db2.gz ZCZXKJJCYHGNCP-UHFFFAOYSA-N 0 0 323.392 3.336 10 30 DGEERN C#CCNC(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734652184 574671442 /nfs/dbraw/zinc/67/14/42/574671442.db2.gz IPNLAZRJXQIOQW-UHFFFAOYSA-N 0 0 320.392 3.361 10 30 DGEERN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000735308665 574696308 /nfs/dbraw/zinc/69/63/08/574696308.db2.gz OALCBXQWZLPCAZ-DOMZBBRYSA-N 0 0 308.809 3.242 10 30 DGEERN Cc1cc(OCc2cc(Cl)ccc2OCC#N)nnc1C ZINC000735233506 574691869 /nfs/dbraw/zinc/69/18/69/574691869.db2.gz ZSIDFBWQBQHFSG-UHFFFAOYSA-N 0 0 303.749 3.228 10 30 DGEERN N#CCOc1ccc(Cl)cc1Cn1ccc2occc2c1=O ZINC000735302926 574695933 /nfs/dbraw/zinc/69/59/33/574695933.db2.gz ISEQVIVKDZMVRR-UHFFFAOYSA-N 0 0 314.728 3.199 10 30 DGEERN CC1(C)CN(Cc2cc(Cl)ccc2OCC#N)CCCO1 ZINC000735311847 574696959 /nfs/dbraw/zinc/69/69/59/574696959.db2.gz WYQVAMIYECAOEC-UHFFFAOYSA-N 0 0 308.809 3.243 10 30 DGEERN Cc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)n1C ZINC000735339125 574698919 /nfs/dbraw/zinc/69/89/19/574698919.db2.gz GFVTZIJJVYJRKS-UHFFFAOYSA-N 0 0 318.760 3.246 10 30 DGEERN Cc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cn1 ZINC000735341521 574698966 /nfs/dbraw/zinc/69/89/66/574698966.db2.gz NHUKDYNHWDJMBT-UHFFFAOYSA-N 0 0 316.744 3.303 10 30 DGEERN C=CCCCN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000736604174 574760768 /nfs/dbraw/zinc/76/07/68/574760768.db2.gz CYBQSILSZVUFRI-CSKARUKUSA-N 0 0 304.346 3.183 10 30 DGEERN C=C(COC(=O)C(C)(C)c1cccc(Cl)c1)C(=O)OCC ZINC000736916752 574810862 /nfs/dbraw/zinc/81/08/62/574810862.db2.gz YIXJTXKLGGTFST-UHFFFAOYSA-N 0 0 310.777 3.280 10 30 DGEERN C#CCSCCNC(=O)NCCc1cccc2ccccc21 ZINC000740032557 574919989 /nfs/dbraw/zinc/91/99/89/574919989.db2.gz XXIXURSEBKBEIL-UHFFFAOYSA-N 0 0 312.438 3.048 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000741527960 574961564 /nfs/dbraw/zinc/96/15/64/574961564.db2.gz GMGRSVWFSDUQPG-LSDHHAIUSA-N 0 0 322.449 3.271 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1 ZINC000741547738 574962590 /nfs/dbraw/zinc/96/25/90/574962590.db2.gz UEHGFZMYIHAQRK-SFHVURJKSA-N 0 0 309.340 3.255 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H](C)Cc2cccc(OC)c2)cc1 ZINC000741563756 574963017 /nfs/dbraw/zinc/96/30/17/574963017.db2.gz VGQRUVXNTHAWHS-OAHLLOKOSA-N 0 0 323.392 3.068 10 30 DGEERN N#C[C@H]1CN(Cc2cc(Cl)ccc2Cl)CCN1C1CC1 ZINC000741788440 574970914 /nfs/dbraw/zinc/97/09/14/574970914.db2.gz WRUKKSHODSRYGV-AWEZNQCLSA-N 0 0 310.228 3.166 10 30 DGEERN Cc1nc2sccn2c1C=NOCCOc1ccc(F)cc1 ZINC000742359825 574992117 /nfs/dbraw/zinc/99/21/17/574992117.db2.gz BRXAECLOMJLNLX-UHFFFAOYSA-N 0 0 319.361 3.273 10 30 DGEERN C#CCCCNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000742786236 575019324 /nfs/dbraw/zinc/01/93/24/575019324.db2.gz SJIBYQWWGIEAMN-UHFFFAOYSA-N 0 0 306.431 3.184 10 30 DGEERN Cc1sc2ncnc(N=NCc3cnn4ccccc34)c2c1C ZINC000729636123 575257847 /nfs/dbraw/zinc/25/78/47/575257847.db2.gz VQXLVVFTQYQLQW-UHFFFAOYSA-N 0 0 322.397 3.402 10 30 DGEERN C#CCN1CCC[C@@H]1COC(=O)c1sc(C(C)(C)C)nc1C ZINC000729812107 575263776 /nfs/dbraw/zinc/26/37/76/575263776.db2.gz LWANWYJHMXXYSB-CYBMUJFWSA-N 0 0 320.458 3.003 10 30 DGEERN C=CCCC(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000726651508 576035065 /nfs/dbraw/zinc/03/50/65/576035065.db2.gz FINBGMAJAJQAIO-OAHLLOKOSA-N 0 0 303.402 3.322 10 30 DGEERN CC(=NOCc1nc(-c2ccsc2)oc1C)c1cnn(C)c1 ZINC000726788738 576042314 /nfs/dbraw/zinc/04/23/14/576042314.db2.gz ZGEJIBUFLQHNHY-UHFFFAOYSA-N 0 0 316.386 3.386 10 30 DGEERN C#CCCOC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000727042053 576097243 /nfs/dbraw/zinc/09/72/43/576097243.db2.gz NPBKRINJWKPNPT-UHFFFAOYSA-N 0 0 323.377 3.176 10 30 DGEERN C(=NOCc1ccno1)c1cccc(OCc2ccncc2)c1 ZINC000727435068 576125224 /nfs/dbraw/zinc/12/52/24/576125224.db2.gz OVEVIZMGTSKECF-UHFFFAOYSA-N 0 0 309.325 3.199 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)/C=C\c2ccc(C)cc2)c1 ZINC000728509236 576186051 /nfs/dbraw/zinc/18/60/51/576186051.db2.gz YUAIPPXIYFVVAQ-SEYXRHQNSA-N 0 0 311.406 3.413 10 30 DGEERN C#Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)nc1 ZINC000728804598 576206570 /nfs/dbraw/zinc/20/65/70/576206570.db2.gz QQBPJVGWOWGYKJ-GOSISDBHSA-N 0 0 302.333 3.175 10 30 DGEERN CCCCCCCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110904884 620652118 /nfs/dbraw/zinc/65/21/18/620652118.db2.gz XWKKBOPCLNWRJP-KRWDZBQOSA-N 0 0 321.465 3.088 10 30 DGEERN C#CCCCCNC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000155038962 620758019 /nfs/dbraw/zinc/75/80/19/620758019.db2.gz ZQPTYCBVBBUQPC-HZPDHXFCSA-N 0 0 306.450 3.169 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000155175173 620780680 /nfs/dbraw/zinc/78/06/80/620780680.db2.gz MAUKLIOLLQNCFC-UHFFFAOYSA-N 0 0 317.251 3.305 10 30 DGEERN C#CCN(CC#C)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000121314342 619051680 /nfs/dbraw/zinc/05/16/80/619051680.db2.gz MMPIUILXYQQUQW-QZTJIDSGSA-N 0 0 303.446 3.237 10 30 DGEERN C=CCC(CC=C)C(=O)O[C@@H](CNC(C)=O)c1ccccc1 ZINC000151686358 620469987 /nfs/dbraw/zinc/46/99/87/620469987.db2.gz WROUKOLKFOGXPV-KRWDZBQOSA-N 0 0 301.386 3.175 10 30 DGEERN CCC(C)(C)NC(=O)CNc1ccc(OC(C)C)c(C#N)c1 ZINC000151985093 620486169 /nfs/dbraw/zinc/48/61/69/620486169.db2.gz CUAZOMXPDRPXCZ-UHFFFAOYSA-N 0 0 303.406 3.062 10 30 DGEERN C#C[C@H](OC(=O)/C=C/c1ccc(OCC=C)c(OC)c1)C1CC1 ZINC000152264494 620500077 /nfs/dbraw/zinc/50/00/77/620500077.db2.gz NQENPOULDYYPBW-BPLPYTOXSA-N 0 0 312.365 3.228 10 30 DGEERN C#C[C@@H](OC(=O)CCc1ccccc1Br)C1CC1 ZINC000152520035 620511568 /nfs/dbraw/zinc/51/15/68/620511568.db2.gz LPTWFALFJGRBLO-CQSZACIVSA-N 0 0 307.187 3.337 10 30 DGEERN C#C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000152548554 620511793 /nfs/dbraw/zinc/51/17/93/620511793.db2.gz ZSPYCDFOKWILMN-LBPRGKRZSA-N 0 0 313.231 3.182 10 30 DGEERN C#C[C@H](OC(=O)CCCOc1ccccc1OCC)C1CC1 ZINC000152580204 620513774 /nfs/dbraw/zinc/51/37/74/620513774.db2.gz WDZHPYQDOALEIG-HNNXBMFYSA-N 0 0 302.370 3.199 10 30 DGEERN C#C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C1CC1 ZINC000152710459 620519110 /nfs/dbraw/zinc/51/91/10/620519110.db2.gz UVNFGCSXVIKCDJ-GXFFZTMASA-N 0 0 312.287 3.428 10 30 DGEERN C#C[C@@H](OC(=O)c1cc(Cl)c(OCC)c(OC)c1)C1CC1 ZINC000152735838 620520178 /nfs/dbraw/zinc/52/01/78/620520178.db2.gz UWCCKVDYHPJPBO-CYBMUJFWSA-N 0 0 308.761 3.316 10 30 DGEERN CO[C@@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1ccccc1 ZINC000153320044 620550301 /nfs/dbraw/zinc/55/03/01/620550301.db2.gz RTNYCHSANCCZKP-XJKSGUPXSA-N 0 0 315.394 3.361 10 30 DGEERN C#CCCOc1ccc(CNCc2csc(CC)n2)cc1 ZINC000113339753 620905015 /nfs/dbraw/zinc/90/50/15/620905015.db2.gz XIYLYGMZYPOZKT-UHFFFAOYSA-N 0 0 300.427 3.397 10 30 DGEERN C=CCCCOC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000117992721 621480512 /nfs/dbraw/zinc/48/05/12/621480512.db2.gz BSRVSCIJRYYSMR-UHFFFAOYSA-N 0 0 307.415 3.176 10 30 DGEERN C[C@@H](OC(=O)c1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000118991032 621604819 /nfs/dbraw/zinc/60/48/19/621604819.db2.gz GESBOTUXOJKSKU-SNVBAGLBSA-N 0 0 315.350 3.309 10 30 DGEERN COc1cccc(N=C2NN=C(c3ccc(C#N)cc3)CS2)c1 ZINC000015404478 621844310 /nfs/dbraw/zinc/84/43/10/621844310.db2.gz BTRLEMRBRWQETO-UHFFFAOYSA-N 0 0 322.393 3.486 10 30 DGEERN CCCCCCCCCCNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000120680462 621970161 /nfs/dbraw/zinc/97/01/61/621970161.db2.gz MSASVRZQLVSWMG-HNNXBMFYSA-N 0 0 311.470 3.047 10 30 DGEERN C=CCc1ccccc1OC(=O)CSCC(=O)OC(C)(C)C ZINC000122244542 622271886 /nfs/dbraw/zinc/27/18/86/622271886.db2.gz IFGLFASBVNGIPT-UHFFFAOYSA-N 0 0 322.426 3.395 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000122820869 622412873 /nfs/dbraw/zinc/41/28/73/622412873.db2.gz TXKSUZKOPQYDGU-BBRMVZONSA-N 0 0 314.385 3.119 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1-c1ccc(C)cc1 ZINC000124016258 622875983 /nfs/dbraw/zinc/87/59/83/622875983.db2.gz CSFLYQWXZOSYOD-UHFFFAOYSA-N 0 0 318.380 3.354 10 30 DGEERN CCOc1cccnc1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000124552559 623158102 /nfs/dbraw/zinc/15/81/02/623158102.db2.gz MVNXEHQBIHJJGQ-UHFFFAOYSA-N 0 0 315.756 3.342 10 30 DGEERN Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc(C#N)cc1C ZINC000129494298 625660860 /nfs/dbraw/zinc/66/08/60/625660860.db2.gz LYWMBBBPZVXVRY-UHFFFAOYSA-N 0 0 322.364 3.096 10 30 DGEERN CC(C)[C@H](C)OC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000127618225 624473046 /nfs/dbraw/zinc/47/30/46/624473046.db2.gz JUBMESNCYVDHNA-HNNXBMFYSA-N 0 0 316.401 3.301 10 30 DGEERN COc1ccc2c(CC(=O)O[C@@H](C)C(C)(C)C#N)coc2c1 ZINC000130486402 625861329 /nfs/dbraw/zinc/86/13/29/625861329.db2.gz PJATUUFXBRPOGY-NSHDSACASA-N 0 0 301.342 3.465 10 30 DGEERN C[C@@H](OC(=O)Cc1cccc(Br)c1)C(C)(C)C#N ZINC000131138684 625950239 /nfs/dbraw/zinc/95/02/39/625950239.db2.gz KAUZBQUIBJWNLR-SNVBAGLBSA-N 0 0 310.191 3.473 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1OC ZINC000131395030 626634274 /nfs/dbraw/zinc/63/42/74/626634274.db2.gz VIJRUXICWHXUMU-GFCCVEGCSA-N 0 0 303.358 3.355 10 30 DGEERN CCCCCCNC(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000135343649 626925002 /nfs/dbraw/zinc/92/50/02/626925002.db2.gz JVUYEABRNKPIDY-UHFFFAOYSA-N 0 0 320.458 3.497 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccnc(Cl)c1 ZINC000101964348 629883220 /nfs/dbraw/zinc/88/32/20/629883220.db2.gz SSZDXRIKBHKPTP-NSHDSACASA-N 0 0 316.744 3.117 10 30 DGEERN N#CCSCC(=O)OCCc1ccccc1C(F)(F)F ZINC000105776432 631094503 /nfs/dbraw/zinc/09/45/03/631094503.db2.gz HQFJXHAJZZMOTC-UHFFFAOYSA-N 0 0 303.305 3.048 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(C#N)cc2OC)c1 ZINC000106596652 631345933 /nfs/dbraw/zinc/34/59/33/631345933.db2.gz NRRQSIRTUKORPN-HOTGVXAUSA-N 0 0 323.348 3.285 10 30 DGEERN Cc1cc(C(=O)N[C@H](C#N)C2CC2)c(C)n1-c1ccccc1C ZINC000108828566 631946394 /nfs/dbraw/zinc/94/63/94/631946394.db2.gz XVJVLANPECLMCQ-QGZVFWFLSA-N 0 0 307.397 3.435 10 30 DGEERN N#C[C@@H](NC(=O)CCSc1nc2ccccc2s1)C1CC1 ZINC000108835374 631947199 /nfs/dbraw/zinc/94/71/99/631947199.db2.gz JXFLQVPRUQUHEJ-GFCCVEGCSA-N 0 0 317.439 3.197 10 30 DGEERN CC(C)(CC#N)COC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000184793411 660186722 /nfs/dbraw/zinc/18/67/22/660186722.db2.gz MXYUFNWXVHVKSP-UHFFFAOYSA-N 0 0 319.376 3.357 10 30 DGEERN N#Cc1ccc(OCCCN2CCC(=O)Nc3ccccc32)cc1 ZINC000072518570 660199719 /nfs/dbraw/zinc/19/97/19/660199719.db2.gz UAMLADIRGYNAFB-UHFFFAOYSA-N 0 0 321.380 3.176 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1nnc(C2CCCC2)o1 ZINC000185351019 660217454 /nfs/dbraw/zinc/21/74/54/660217454.db2.gz DLZSCRKCULEWBC-UHFFFAOYSA-N 0 0 304.390 3.253 10 30 DGEERN CCOc1cccc(/C=C2\COc3cc4c(cc3C2=O)OCO4)c1 ZINC000063556810 659396407 /nfs/dbraw/zinc/39/64/07/659396407.db2.gz MFJKQGHGGVXLKJ-AWNIVKPZSA-N 0 0 324.332 3.473 10 30 DGEERN C#C[C@H](C)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000185993639 660259140 /nfs/dbraw/zinc/25/91/40/660259140.db2.gz FBKHETYUDRNNLG-HZMBPMFUSA-N 0 0 310.319 3.477 10 30 DGEERN C#C[C@@H](C)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000185993663 660259256 /nfs/dbraw/zinc/25/92/56/660259256.db2.gz FBKHETYUDRNNLG-YGRLFVJLSA-N 0 0 310.319 3.477 10 30 DGEERN C=CCCCN(C)S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000186023208 660262025 /nfs/dbraw/zinc/26/20/25/660262025.db2.gz JRUHHWHPBRLJOB-UHFFFAOYSA-N 0 0 321.442 3.210 10 30 DGEERN Oc1ccccc1/C=N\[C@H]1CCN(c2ncccc2Cl)C1 ZINC000255662673 660486079 /nfs/dbraw/zinc/48/60/79/660486079.db2.gz RUYKBYAKVKRQSL-GJUHEBOISA-N 0 0 301.777 3.138 10 30 DGEERN C#CCN(C(=O)NCCCOc1ccccc1)C1CCCC1 ZINC000162908809 660585491 /nfs/dbraw/zinc/58/54/91/660585491.db2.gz WWTAROWCZWZKNA-UHFFFAOYSA-N 0 0 300.402 3.043 10 30 DGEERN CC#CCCNC(=O)/C=C/c1ccc(C)cc1Br ZINC000700593031 660630139 /nfs/dbraw/zinc/63/01/39/660630139.db2.gz PPJYNHBFCGPVTG-CMDGGOBGSA-N 0 0 306.203 3.300 10 30 DGEERN C#C[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000700594636 660630182 /nfs/dbraw/zinc/63/01/82/660630182.db2.gz BLPWAVYXMKLZBZ-KOLCDFICSA-N 0 0 300.185 3.289 10 30 DGEERN N#CCCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000362904716 660672037 /nfs/dbraw/zinc/67/20/37/660672037.db2.gz ORWNWALLGUIRLH-UHFFFAOYSA-N 0 0 321.686 3.316 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2ccc(C#N)cc2)C1 ZINC000711447844 660953283 /nfs/dbraw/zinc/95/32/83/660953283.db2.gz MGRAXKIXAFIVOD-UHFFFAOYSA-N 0 0 301.390 3.273 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@@H]1CCOc2ccc(OC)cc21 ZINC000186798959 655529882 /nfs/dbraw/zinc/52/98/82/655529882.db2.gz SCUJRBSBHQBJPO-AEFFLSMTSA-N 0 0 320.385 3.291 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC000254965898 655550100 /nfs/dbraw/zinc/55/01/00/655550100.db2.gz TUFNKGMSDOPIFY-HJWRWDBZSA-N 0 0 312.325 3.416 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(-n2cccn2)cc1 ZINC000187511032 655550638 /nfs/dbraw/zinc/55/06/38/655550638.db2.gz WQRMHIUYTRWBCS-SFHVURJKSA-N 0 0 314.385 3.258 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCOc2ccccc21 ZINC000187633621 655553866 /nfs/dbraw/zinc/55/38/66/655553866.db2.gz ZNCCLTNKOKPEOH-KBXCAEBGSA-N 0 0 304.386 3.325 10 30 DGEERN C[C@@H](NC(=O)[C@H](C)ON=Cc1ccccc1F)c1ccccc1 ZINC000254986307 655554269 /nfs/dbraw/zinc/55/42/69/655554269.db2.gz KTSVGUIAELOKLT-KGLIPLIRSA-N 0 0 314.360 3.442 10 30 DGEERN CCC(C)(C)NC(=O)CON=Cc1ccccc1OC(C)C ZINC000255060408 655588493 /nfs/dbraw/zinc/58/84/93/655588493.db2.gz UEWNFKOVZNWYRM-UHFFFAOYSA-N 0 0 306.406 3.129 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(C)C ZINC000177716690 655628502 /nfs/dbraw/zinc/62/85/02/655628502.db2.gz ZVNQNEHOHSIDIO-ZDUSSCGKSA-N 0 0 318.398 3.322 10 30 DGEERN COc1cccc(CO[C@H](C)C(=O)OCC#Cc2ccccc2)c1 ZINC000121186319 655636434 /nfs/dbraw/zinc/63/64/34/655636434.db2.gz GLUZQIOTTGSSJB-MRXNPFEDSA-N 0 0 324.376 3.195 10 30 DGEERN N#Cc1ccc(CN2CCS[C@@H](C(F)(F)F)C2)cc1F ZINC000721449626 655655916 /nfs/dbraw/zinc/65/59/16/655655916.db2.gz NBGOUGDIICDELA-GFCCVEGCSA-N 0 0 304.312 3.177 10 30 DGEERN Cc1nn(C)c(Cl)c1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000177895749 655674325 /nfs/dbraw/zinc/67/43/25/655674325.db2.gz BSADYPTWXBRDMW-UHFFFAOYSA-N 0 0 323.179 3.244 10 30 DGEERN N#Cc1cccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255276566 655677206 /nfs/dbraw/zinc/67/72/06/655677206.db2.gz PMJLSOKBONXIIR-HJWRWDBZSA-N 0 0 303.314 3.077 10 30 DGEERN N#CCSCc1nc(-c2sccc2Br)no1 ZINC000723210698 655692999 /nfs/dbraw/zinc/69/29/99/655692999.db2.gz IVHUDNFFGOFOBY-UHFFFAOYSA-N 0 0 316.205 3.317 10 30 DGEERN CON=Cc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000255335200 655702107 /nfs/dbraw/zinc/70/21/07/655702107.db2.gz LLLDDSDNQZNEPY-UHFFFAOYSA-N 0 0 303.387 3.499 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)CCOC2CCOCC2)CC1 ZINC000175981909 655723335 /nfs/dbraw/zinc/72/33/35/655723335.db2.gz HPZOPMPPCOUWQJ-MRXNPFEDSA-N 0 0 308.418 3.418 10 30 DGEERN CCOc1c(F)cccc1C(=O)Oc1ccc(C#N)cc1F ZINC000158129667 655773856 /nfs/dbraw/zinc/77/38/56/655773856.db2.gz VRLFUAPALROURE-UHFFFAOYSA-N 0 0 303.264 3.454 10 30 DGEERN Oc1ccccc1/C=N/[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158181836 655775014 /nfs/dbraw/zinc/77/50/14/655775014.db2.gz RUYKBYAKVKRQSL-BUESGFEBSA-N 0 0 301.777 3.138 10 30 DGEERN Cc1ncccc1/C=C1/CN(C)C/C(=C/c2cccnc2C)C1=O ZINC000255508554 655781829 /nfs/dbraw/zinc/78/18/29/655781829.db2.gz LPCIJJNFHORAMZ-BJPQZVBLSA-N 0 0 319.408 3.075 10 30 DGEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000158751938 655790626 /nfs/dbraw/zinc/79/06/26/655790626.db2.gz XQUZJIMKJHEURC-BRWVUGGUSA-N 0 0 312.413 3.147 10 30 DGEERN CCOc1cccc(/C=N\[C@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000255545692 655793570 /nfs/dbraw/zinc/79/35/70/655793570.db2.gz LRDCAEGIKLUEJZ-ZDFPAGSVSA-N 0 0 315.417 3.191 10 30 DGEERN CCOc1ccc(C=NOCc2cnn(-c3ccccc3)n2)cc1 ZINC000255559097 655799884 /nfs/dbraw/zinc/79/98/84/655799884.db2.gz VZNXLKUCGFREFF-UHFFFAOYSA-N 0 0 322.368 3.217 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000188066009 655802671 /nfs/dbraw/zinc/80/26/71/655802671.db2.gz OJTPNLUJMPCYPR-CQSZACIVSA-N 0 0 304.390 3.427 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000187583902 655809609 /nfs/dbraw/zinc/80/96/09/655809609.db2.gz OVKYEJIIKBRLSO-FZKQIMNGSA-N 0 0 320.385 3.291 10 30 DGEERN C=C(C)CNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000157546525 655824317 /nfs/dbraw/zinc/82/43/17/655824317.db2.gz ZFOBUAUZBUYECZ-FQEVSTJZSA-N 0 0 306.309 3.012 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)CCc1cccc(Br)c1 ZINC000176797369 655828783 /nfs/dbraw/zinc/82/87/83/655828783.db2.gz PKYMSVSOUPFXJF-ZDUSSCGKSA-N 0 0 310.191 3.473 10 30 DGEERN COc1ccc(C(=O)/C=C\c2c(C)noc2C)cc1NC(C)=O ZINC000255580019 655837334 /nfs/dbraw/zinc/83/73/34/655837334.db2.gz CWVVBHVLAJIEJH-SREVYHEPSA-N 0 0 314.341 3.155 10 30 DGEERN C#CCCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000052745675 655838187 /nfs/dbraw/zinc/83/81/87/655838187.db2.gz BDAFGPLMIHRNCE-OAHLLOKOSA-N 0 0 321.804 3.051 10 30 DGEERN C=C[C@H](CC(=O)O[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000248432238 655841892 /nfs/dbraw/zinc/84/18/92/655841892.db2.gz YRZWNUMSHOJNGZ-SUMDDJOVSA-N 0 0 316.397 3.228 10 30 DGEERN C[C@@H](Oc1ccccc1Br)C(=O)O[C@@H](C#N)C1CC1 ZINC000177038256 655889310 /nfs/dbraw/zinc/88/93/10/655889310.db2.gz QFIOFYNVCDDBIW-RNCFNFMXSA-N 0 0 324.174 3.062 10 30 DGEERN Cc1c(C(=O)O[C@H](C#N)C2CC2)cnn1-c1ccccc1Cl ZINC000177042446 655889718 /nfs/dbraw/zinc/88/97/18/655889718.db2.gz KOXZNOXBDVXZQU-OAHLLOKOSA-N 0 0 315.760 3.293 10 30 DGEERN N#C[C@H](OC(=O)CCc1cccc(Br)c1)C1CC1 ZINC000177040434 655889828 /nfs/dbraw/zinc/88/98/28/655889828.db2.gz SYWSODVBCYEFQG-ZDUSSCGKSA-N 0 0 308.175 3.227 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000255714230 655891494 /nfs/dbraw/zinc/89/14/94/655891494.db2.gz VAXGCXQMNCZIEH-CMUBDUJZSA-N 0 0 318.804 3.368 10 30 DGEERN Cc1c(C#N)cccc1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255775249 655901431 /nfs/dbraw/zinc/90/14/31/655901431.db2.gz OZHZPYWVKXOWNT-KTKRTIGZSA-N 0 0 316.357 3.418 10 30 DGEERN COC(=O)c1cnc(/C=C\c2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000255828186 655908299 /nfs/dbraw/zinc/90/82/99/655908299.db2.gz AVUHNHSJGWYBEL-OFSNVTPPSA-N 0 0 314.366 3.391 10 30 DGEERN CON=Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1 ZINC000255870576 655930089 /nfs/dbraw/zinc/93/00/89/655930089.db2.gz LFLKBADFNPWLAB-LBPRGKRZSA-N 0 0 312.373 3.087 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)NC(=O)CC1CCCCC1)C(C)C ZINC000177718470 655943414 /nfs/dbraw/zinc/94/34/14/655943414.db2.gz HKWMZFXUNZAAIL-HOCLYGCPSA-N 0 0 307.434 3.053 10 30 DGEERN C#CCCCCC(=O)OCc1ccccc1OC[C@@H]1CCCO1 ZINC000180768113 655968908 /nfs/dbraw/zinc/96/89/08/655968908.db2.gz PWMHZCNRNULPSH-KRWDZBQOSA-N 0 0 316.397 3.481 10 30 DGEERN N#Cc1cc(Br)cnc1NCC[C@@H]1CCCS1 ZINC000715706923 661213615 /nfs/dbraw/zinc/21/36/15/661213615.db2.gz QVQHYWCCONTOLX-NSHDSACASA-N 0 0 312.236 3.413 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000162315114 656112925 /nfs/dbraw/zinc/11/29/25/656112925.db2.gz YHXYHORICVDINV-UHFFFAOYSA-N 0 0 304.305 3.225 10 30 DGEERN N#CC1(COC(=O)c2scnc2C2CCCC2)CCOCC1 ZINC000185377304 656126080 /nfs/dbraw/zinc/12/60/80/656126080.db2.gz NBGHTLCBCPIENQ-UHFFFAOYSA-N 0 0 320.414 3.278 10 30 DGEERN N#C[C@@H](COC(=O)[C@@H]1CC1(Cl)Cl)Cc1ccc(F)cc1 ZINC000123782933 656183414 /nfs/dbraw/zinc/18/34/14/656183414.db2.gz YPBSBQVETHKHHP-JQWIXIFHSA-N 0 0 316.159 3.245 10 30 DGEERN CCCCCCCS(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 ZINC000194798289 656204930 /nfs/dbraw/zinc/20/49/30/656204930.db2.gz UTMIDCPXMFAKBS-UHFFFAOYSA-N 0 0 322.434 3.184 10 30 DGEERN C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000066883889 656302108 /nfs/dbraw/zinc/30/21/08/656302108.db2.gz HBJVGAUCUNWYCY-LBPRGKRZSA-N 0 0 309.321 3.247 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1F ZINC000066903310 656327486 /nfs/dbraw/zinc/32/74/86/656327486.db2.gz ABVULLCWIUUNRK-CMDGGOBGSA-N 0 0 303.314 3.077 10 30 DGEERN C=CCc1ccc(OC(=O)c2cn3ccnc3s2)c(OC)c1 ZINC000190756908 656569292 /nfs/dbraw/zinc/56/92/92/656569292.db2.gz FDWTUSUEZGVQDZ-UHFFFAOYSA-N 0 0 314.366 3.352 10 30 DGEERN CCN1c2ccccc2C(=NN=c2[nH]c3ccccc3s2)C1=O ZINC000254386146 657066827 /nfs/dbraw/zinc/06/68/27/657066827.db2.gz JKXJBQJEBZCPQE-UHFFFAOYSA-N 0 0 322.393 3.479 10 30 DGEERN O=C(/C=C/c1c(Cl)nc2sccn12)c1cc(O)cc(O)c1 ZINC000178880427 657094370 /nfs/dbraw/zinc/09/43/70/657094370.db2.gz ATHIQPFWKAYRMT-OWOJBTEDSA-N 0 0 320.757 3.357 10 30 DGEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159264466 657150400 /nfs/dbraw/zinc/15/04/00/657150400.db2.gz UGBOAOLVMIYRLI-JTQLQIEISA-N 0 0 300.185 3.211 10 30 DGEERN C=CCOc1ccc(CNc2ccc(-n3ccnc3)nc2)cc1 ZINC000319934592 657294904 /nfs/dbraw/zinc/29/49/04/657294904.db2.gz AZDGUSPFUKMICI-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN CC#CCCCCOC(=O)c1sc(-c2ncccn2)nc1C ZINC000183950521 657383418 /nfs/dbraw/zinc/38/34/18/657383418.db2.gz CFDACGHZWMDUSS-UHFFFAOYSA-N 0 0 315.398 3.259 10 30 DGEERN COc1cccc(C2CC(=O)C(=CN[C@@H](C)C(C)C)C(=O)C2)c1 ZINC000121021494 657416010 /nfs/dbraw/zinc/41/60/10/657416010.db2.gz GPOXWQIASDSBOX-CFMCSPIPSA-N 0 0 315.413 3.229 10 30 DGEERN COc1ccc(/C=C2\COc3c(OC)cccc3C2=O)cc1O ZINC000098125406 657912267 /nfs/dbraw/zinc/91/22/67/657912267.db2.gz PTJZZFREBDFNEP-XYOKQWHBSA-N 0 0 312.321 3.068 10 30 DGEERN COc1cccc2c1OC/C(=C\c1ccc3c(c1)OCCO3)C2=O ZINC000098125375 657912306 /nfs/dbraw/zinc/91/23/06/657912306.db2.gz AKMIDVDOFQFVLS-UKTHLTGXSA-N 0 0 324.332 3.125 10 30 DGEERN COc1cccc2c1OC/C(=C\c1ccc3c(c1)CCO3)C2=O ZINC000098125458 657912904 /nfs/dbraw/zinc/91/29/04/657912904.db2.gz ACWJQWSYLBYQHT-GXDHUFHOSA-N 0 0 308.333 3.289 10 30 DGEERN COc1cccc2c1OCC(=Cc1c[nH]nc1C(C)(C)C)C2=O ZINC000098125460 657913008 /nfs/dbraw/zinc/91/30/08/657913008.db2.gz DTWYWOMHHPSSJZ-WQLSENKSSA-N 0 0 312.369 3.375 10 30 DGEERN C#CC[C@H](OC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000188955764 658137459 /nfs/dbraw/zinc/13/74/59/658137459.db2.gz GBOINYQTCUWTHP-GJZGRUSLSA-N 0 0 323.433 3.225 10 30 DGEERN N#C[C@@H](COC(=O)CCCc1ccccn1)Cc1ccccc1 ZINC000179169085 658373057 /nfs/dbraw/zinc/37/30/57/658373057.db2.gz OBIBQWXNWDHUEK-KRWDZBQOSA-N 0 0 308.381 3.330 10 30 DGEERN Cc1cc(N2CCC=C(Br)C2)c(C#N)cc1[N+](=O)[O-] ZINC000721050747 658415402 /nfs/dbraw/zinc/41/54/02/658415402.db2.gz WBIVWQZSNWYKCC-UHFFFAOYSA-N 0 0 322.162 3.264 10 30 DGEERN C=C(C)CCOC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000174797112 658840622 /nfs/dbraw/zinc/84/06/22/658840622.db2.gz HWMJSKXJPLTPGW-UHFFFAOYSA-N 0 0 301.386 3.048 10 30 DGEERN C[C@@H](C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1)C1CCOCC1 ZINC000165914782 659010998 /nfs/dbraw/zinc/01/09/98/659010998.db2.gz GVZWMOXOMVZUBQ-UKRRQHHQSA-N 0 0 319.376 3.114 10 30 DGEERN COc1cccc(COC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000045840194 659052145 /nfs/dbraw/zinc/05/21/45/659052145.db2.gz XGYKPONGCBDXEB-CYBMUJFWSA-N 0 0 311.337 3.078 10 30 DGEERN C=C(C)CNC(=S)N1CCC[C@@H]1Cc1ccccc1OC ZINC000058467735 659080938 /nfs/dbraw/zinc/08/09/38/659080938.db2.gz SVLFMVZVMGTYLT-OAHLLOKOSA-N 0 0 304.459 3.153 10 30 DGEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000060208295 659165995 /nfs/dbraw/zinc/16/59/95/659165995.db2.gz DGNLYLDESACCLA-UHFFFAOYSA-N 0 0 321.364 3.351 10 30 DGEERN C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000060208314 659166146 /nfs/dbraw/zinc/16/61/46/659166146.db2.gz XTMJWFSVMQFMFK-UHFFFAOYSA-N 0 0 307.337 3.042 10 30 DGEERN C=C(C)CNC(=S)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000061248193 659251308 /nfs/dbraw/zinc/25/13/08/659251308.db2.gz OTTGYFUELJYUDV-OAHLLOKOSA-N 0 0 320.458 3.291 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000187613311 659360353 /nfs/dbraw/zinc/36/03/53/659360353.db2.gz VQEUHVSCPOKEMY-SJLPKXTDSA-N 0 0 301.386 3.141 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCC(=O)c1ccccc1 ZINC000174230185 659421548 /nfs/dbraw/zinc/42/15/48/659421548.db2.gz BKGXTJBEIMEYPT-UHFFFAOYSA-N 0 0 308.333 3.267 10 30 DGEERN C#C[C@H](C)OC(=O)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000174420025 659432958 /nfs/dbraw/zinc/43/29/58/659432958.db2.gz LBVNIJSWKLJBNE-LBPRGKRZSA-N 0 0 315.394 3.316 10 30 DGEERN C#C[C@@H](C)OC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000174466108 659436049 /nfs/dbraw/zinc/43/60/49/659436049.db2.gz ULPLGMUYYQPAKE-MRVPVSSYSA-N 0 0 320.698 3.121 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cccc2[nH]ccc21 ZINC000174720470 659530824 /nfs/dbraw/zinc/53/08/24/659530824.db2.gz WTKMJGSPKUJAPG-GFCCVEGCSA-N 0 0 306.321 3.412 10 30 DGEERN CCc1cccc(CC(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000152299207 659581298 /nfs/dbraw/zinc/58/12/98/659581298.db2.gz JEIRFPIZSMVYSF-SFHVURJKSA-N 0 0 320.392 3.448 10 30 DGEERN COCc1ccc(C(=O)OC[C@H](C#N)Cc2ccccc2)cc1 ZINC000175360682 659919270 /nfs/dbraw/zinc/91/92/70/659919270.db2.gz WCLQEAOZECXRHL-KRWDZBQOSA-N 0 0 309.365 3.372 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cnc(C)nc1C ZINC000179837077 659943277 /nfs/dbraw/zinc/94/32/77/659943277.db2.gz XHKZECBWVPYKEL-UHFFFAOYSA-N 0 0 312.369 3.440 10 30 DGEERN N#Cc1cc(COc2ccc(C=O)cc2Br)ccn1 ZINC000068755710 659964377 /nfs/dbraw/zinc/96/43/77/659964377.db2.gz WCZPLDDHMJQWOX-UHFFFAOYSA-N 0 0 317.142 3.107 10 30 DGEERN C#CCCCCC(=O)O[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180764531 659970085 /nfs/dbraw/zinc/97/00/85/659970085.db2.gz KHBSQMDUIAWJPK-CABCVRRESA-N 0 0 323.433 3.417 10 30 DGEERN C=C[C@@H](CC)OC(=O)CSc1nnc(-c2cccs2)n1C ZINC000181206750 659986888 /nfs/dbraw/zinc/98/68/88/659986888.db2.gz GSGFDRSPTRMVQD-JTQLQIEISA-N 0 0 323.443 3.144 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1cn(C)nc1-c1ccccc1OC ZINC000181216928 659987106 /nfs/dbraw/zinc/98/71/06/659987106.db2.gz CHNLCFBLMPWTGW-LBPRGKRZSA-N 0 0 300.358 3.217 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000069837199 660024648 /nfs/dbraw/zinc/02/46/48/660024648.db2.gz AVJOZYHJDADQGP-OAHLLOKOSA-N 0 0 313.397 3.112 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000182129391 660034578 /nfs/dbraw/zinc/03/45/78/660034578.db2.gz YIROUOMLPGXQMR-CYBMUJFWSA-N 0 0 305.337 3.410 10 30 DGEERN COC(=O)c1ccccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182246553 660039759 /nfs/dbraw/zinc/03/97/59/660039759.db2.gz UMFDOVCXFDEFNY-UHFFFAOYSA-N 0 0 321.332 3.248 10 30 DGEERN COc1ccc(/C=C/C(=O)c2cc(O)ccc2OC)cc1O ZINC000182284472 660041217 /nfs/dbraw/zinc/04/12/17/660041217.db2.gz YXNMHNOKSNDJNP-ZZXKWVIFSA-N 0 0 300.310 3.011 10 30 DGEERN N#CC1(c2ccc(C(=O)OCC(F)(F)C(F)F)cc2)CC1 ZINC000182529445 660059754 /nfs/dbraw/zinc/05/97/54/660059754.db2.gz RYFDBAARMQDEMG-UHFFFAOYSA-N 0 0 301.239 3.299 10 30 DGEERN CC#CCCCCOC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000183970385 660150600 /nfs/dbraw/zinc/15/06/00/660150600.db2.gz YNSVXLDHLHZPRP-UHFFFAOYSA-N 0 0 313.397 3.159 10 30 DGEERN C/C(=C\c1ccc(F)cc1)C(=O)OCC1(C#N)CCOCC1 ZINC000183982433 660151299 /nfs/dbraw/zinc/15/12/99/660151299.db2.gz MCPSQDJZWPHZIS-JLHYYAGUSA-N 0 0 303.333 3.093 10 30 DGEERN Cc1ccc2cc(C(=O)OCC3(C#N)CCOCC3)ccc2n1 ZINC000183990566 660151542 /nfs/dbraw/zinc/15/15/42/660151542.db2.gz FYBOAOQQUCQOGY-UHFFFAOYSA-N 0 0 310.353 3.020 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)Cc1ccc2c(c1)CCC2 ZINC000187525367 661777725 /nfs/dbraw/zinc/77/77/25/661777725.db2.gz YHVHMDVFVVPELX-LJQANCHMSA-N 0 0 302.414 3.490 10 30 DGEERN C=C[C@@H](C)OC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000187536614 661832922 /nfs/dbraw/zinc/83/29/22/661832922.db2.gz UDWQHEXDNBVQDT-LLVKDONJSA-N 0 0 303.337 3.261 10 30 DGEERN C#C[C@H](C)OC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155246207 661844117 /nfs/dbraw/zinc/84/41/17/661844117.db2.gz FJMSHJAFMDULPO-KBPBESRZSA-N 0 0 323.433 3.225 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)Nc1c(C)onc1CC ZINC000155506891 661848072 /nfs/dbraw/zinc/84/80/72/661848072.db2.gz YQKRMZJZQHCPFS-UHFFFAOYSA-N 0 0 317.320 3.341 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)O[C@@H](C)C1CCOCC1 ZINC000156136320 661858744 /nfs/dbraw/zinc/85/87/44/661858744.db2.gz UOHLSSXXTIUEIK-ZDUSSCGKSA-N 0 0 320.385 3.232 10 30 DGEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000158751810 661877643 /nfs/dbraw/zinc/87/76/43/661877643.db2.gz XQUZJIMKJHEURC-GVDBMIGSSA-N 0 0 312.413 3.147 10 30 DGEERN C#CCCCNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000187695852 661902442 /nfs/dbraw/zinc/90/24/42/661902442.db2.gz XULMFCVHNLQOCQ-GFCCVEGCSA-N 0 0 320.261 3.281 10 30 DGEERN C#CCCCCC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000188300135 661924735 /nfs/dbraw/zinc/92/47/35/661924735.db2.gz ZJXZDWDFCHUZRY-CABCVRRESA-N 0 0 322.449 3.084 10 30 DGEERN C=CCCCN(C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000076665001 661992339 /nfs/dbraw/zinc/99/23/39/661992339.db2.gz BCGKRGWNXHNDLF-UHFFFAOYSA-N 0 0 308.476 3.448 10 30 DGEERN CCC[C@H](C)COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000189950019 661998478 /nfs/dbraw/zinc/99/84/78/661998478.db2.gz DWVISYJJIFWSGG-ZDUSSCGKSA-N 0 0 305.422 3.326 10 30 DGEERN C=CC[C@@]1(C(=O)N[C@@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000190205148 662022906 /nfs/dbraw/zinc/02/29/06/662022906.db2.gz SWPMYHWGVZUVRW-GUYCJALGSA-N 0 0 310.438 3.247 10 30 DGEERN C#CCN(C(=O)NCCc1ccc(F)c(F)c1)C1CCCC1 ZINC000190383499 662030405 /nfs/dbraw/zinc/03/04/05/662030405.db2.gz YKCLWRCGNYLPDB-UHFFFAOYSA-N 0 0 306.356 3.095 10 30 DGEERN C=CC[C@@]1(C(=O)N(C)CCC)CCCN1C(=O)OC(C)(C)C ZINC000190641049 662039442 /nfs/dbraw/zinc/03/94/42/662039442.db2.gz NISNTEKGTYVKCV-KRWDZBQOSA-N 0 0 310.438 3.201 10 30 DGEERN C#C[C@@H](C)OC(=O)CCCCCC(=O)c1ccc(OC)cc1 ZINC000191122941 662054958 /nfs/dbraw/zinc/05/49/58/662054958.db2.gz DULVIUPWQUSYLE-CQSZACIVSA-N 0 0 302.370 3.393 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cn(C)nc1C(C)(C)C ZINC000191124019 662055173 /nfs/dbraw/zinc/05/51/73/662055173.db2.gz CWXJIPYBUJWUBP-QGZVFWFLSA-N 0 0 308.422 3.103 10 30 DGEERN C#CC[C@H](OC(=O)Cc1ccc(OCCOC)cc1)C(C)(C)C ZINC000191417556 662065342 /nfs/dbraw/zinc/06/53/42/662065342.db2.gz VYJQZRFYFIRYGY-KRWDZBQOSA-N 0 0 318.413 3.236 10 30 DGEERN C=CCC1(C(=O)OC[C@@H]2CCCN2c2ccc(C)nn2)CCC1 ZINC000192238544 662092652 /nfs/dbraw/zinc/09/26/52/662092652.db2.gz JAPMICHQRLTOAC-HNNXBMFYSA-N 0 0 315.417 3.043 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)CCOCC(F)(F)C(F)(F)F ZINC000192285109 662094290 /nfs/dbraw/zinc/09/42/90/662094290.db2.gz BROSIVZVJTVXLO-MRVPVSSYSA-N 0 0 317.254 3.072 10 30 DGEERN C[C@H](Oc1ccccc1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079223155 662104639 /nfs/dbraw/zinc/10/46/39/662104639.db2.gz QHEVRIOENONGEM-RDJZCZTQSA-N 0 0 309.365 3.380 10 30 DGEERN C=CCOc1ccc(C(=O)OCc2cc(C)sn2)cc1OC ZINC000193541670 662138038 /nfs/dbraw/zinc/13/80/38/662138038.db2.gz XAMMSOAFPNXQPT-UHFFFAOYSA-N 0 0 319.382 3.382 10 30 DGEERN Cc1ccc(OCCN(C)C(=O)c2ccccc2OCC#N)cc1 ZINC000194076287 662156634 /nfs/dbraw/zinc/15/66/34/662156634.db2.gz BOCSPJMQTNRMMN-UHFFFAOYSA-N 0 0 324.380 3.048 10 30 DGEERN COC(=O)c1ccc(/C=C2\CCOc3ccc(C)cc3C2=O)o1 ZINC000195331902 662185164 /nfs/dbraw/zinc/18/51/64/662185164.db2.gz LBJIVPRRJPQDIO-ZRDIBKRKSA-N 0 0 312.321 3.423 10 30 DGEERN N#CCC1(COC(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000088816409 662235767 /nfs/dbraw/zinc/23/57/67/662235767.db2.gz MPNYXVCDYALXOW-UHFFFAOYSA-N 0 0 307.296 3.165 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000089318630 662241913 /nfs/dbraw/zinc/24/19/13/662241913.db2.gz HTKBYIUZEPIIBM-OAHLLOKOSA-N 0 0 315.413 3.437 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)c1scnc1C1CC1 ZINC000089735345 662246969 /nfs/dbraw/zinc/24/69/69/662246969.db2.gz WSIDWQCYPBDOHX-UHFFFAOYSA-N 0 0 300.339 3.120 10 30 DGEERN C[C@@H]1CC[C@@H](CCC(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)O1 ZINC000246478613 662261452 /nfs/dbraw/zinc/26/14/52/662261452.db2.gz CCSBXDCUAQVIGG-UNEWFSDZSA-N 0 0 319.376 3.399 10 30 DGEERN C#CCOc1ccccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000093768493 662359813 /nfs/dbraw/zinc/35/98/13/662359813.db2.gz RKBSXKWOEGRTCV-GOSISDBHSA-N 0 0 313.422 3.334 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 ZINC000065501195 685056080 /nfs/dbraw/zinc/05/60/80/685056080.db2.gz FMVSANXUGJLWDV-AWEZNQCLSA-N 0 0 315.319 3.433 10 30 DGEERN C=C(COc1cc(F)ccc1Br)C(=O)OCC ZINC000160123796 685099423 /nfs/dbraw/zinc/09/94/23/685099423.db2.gz AIJIISNPQOTWRW-UHFFFAOYSA-N 0 0 303.127 3.086 10 30 DGEERN CC(C)C[C@H](CO)Nc1ccc(C#N)c(Br)c1F ZINC000231863763 1177007728 /nfs/dbraw/zinc/00/77/28/1177007728.db2.gz XXACJOMLMMMYNH-SNVBAGLBSA-N 0 0 315.186 3.279 10 30 DGEERN C=CCOc1ccc(CNc2ccc3c(c2)C(=O)NC3)cc1OC ZINC000124506227 1177035662 /nfs/dbraw/zinc/03/56/62/1177035662.db2.gz MKDCDQJLBSBOGY-UHFFFAOYSA-N 0 0 324.380 3.116 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Cc1cccc(OC)n1 ZINC000338912358 1177787593 /nfs/dbraw/zinc/78/75/93/1177787593.db2.gz DOKHUHGUNFHBHI-UHFFFAOYSA-N 0 0 310.397 3.238 10 30 DGEERN C=CCOc1ccc(CNCc2cn3ccccc3n2)cc1OC ZINC000072726632 1196111841 /nfs/dbraw/zinc/11/18/41/1196111841.db2.gz CBDGZJLNRHOBGO-UHFFFAOYSA-N 0 0 323.396 3.198 10 30 DGEERN C=C[C@@H](C)ONC(=O)c1ccc(Cl)c(Br)c1 ZINC000400937108 1199375546 /nfs/dbraw/zinc/37/55/46/1199375546.db2.gz NXJUTAFBWOFWDK-SSDOTTSWSA-N 0 0 304.571 3.338 10 30 DGEERN N#Cc1cccc2c1CN(Cc1cncc(Br)c1)C2 ZINC000405062306 1199593022 /nfs/dbraw/zinc/59/30/22/1199593022.db2.gz SKGDTQGSVVKGPL-UHFFFAOYSA-N 0 0 314.186 3.232 10 30 DGEERN Cc1ccc(CNc2ncc(Br)cc2C#N)nc1C ZINC000314803030 1199795453 /nfs/dbraw/zinc/79/54/53/1199795453.db2.gz OJBCJNJAPCIEIO-UHFFFAOYSA-N 0 0 317.190 3.340 10 30 DGEERN Cc1cc(C(=O)NCC(C)(C)CC#N)sc1Br ZINC000316131789 1199813109 /nfs/dbraw/zinc/81/31/09/1199813109.db2.gz FDAYUHKAPMYGQE-UHFFFAOYSA-N 0 0 315.236 3.489 10 30 DGEERN Cn1nccc1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000120624452 1200161759 /nfs/dbraw/zinc/16/17/59/1200161759.db2.gz SIYYWNNNWSPYAZ-UHFFFAOYSA-N 0 0 318.380 3.483 10 30 DGEERN CN(C[C@H]1CCCOC1)c1cc(Br)ccc1C#N ZINC000123278338 1200277086 /nfs/dbraw/zinc/27/70/86/1200277086.db2.gz DQJAJKZKUVRWIG-LLVKDONJSA-N 0 0 309.207 3.184 10 30 DGEERN CC(C)CCCCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126608918 1200582474 /nfs/dbraw/zinc/58/24/74/1200582474.db2.gz QSCRNXUDTJXDTL-UHFFFAOYSA-N 0 0 314.838 3.316 10 30 DGEERN C=CCC(CC=C)C(=O)NCc1ccnc(OCC2CC2)c1 ZINC000132048000 1201164559 /nfs/dbraw/zinc/16/45/59/1201164559.db2.gz SRMADFLCNDJFRX-UHFFFAOYSA-N 0 0 300.402 3.255 10 30 DGEERN CCn1ccnc1CNc1cc(Br)ccc1C#N ZINC000234182058 1202603396 /nfs/dbraw/zinc/60/33/96/1202603396.db2.gz PTIUUKWVAAMENS-UHFFFAOYSA-N 0 0 305.179 3.149 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nocc1C ZINC000159255850 1202604578 /nfs/dbraw/zinc/60/45/78/1202604578.db2.gz ZZUMQNNMWNGNKR-UHFFFAOYSA-N 0 0 301.346 3.212 10 30 DGEERN CCCCCCCCCC(=O)Nc1cc(C(=O)OC)c[nH]c1=O ZINC000192554203 1203289317 /nfs/dbraw/zinc/28/93/17/1203289317.db2.gz NGHZKEUIIGAHMM-UHFFFAOYSA-N 0 0 322.405 3.241 10 30 DGEERN CCCCCCCCC(=O)N1CCN(C(=O)c2ccoc2)CC1 ZINC000248262458 1203801695 /nfs/dbraw/zinc/80/16/95/1203801695.db2.gz MVJPAOJNHDWEFF-UHFFFAOYSA-N 0 0 320.433 3.315 10 30 DGEERN CON=Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)cc1 ZINC000255564061 1203848291 /nfs/dbraw/zinc/84/82/91/1203848291.db2.gz ALNBAPYUOTUTJZ-ZDUSSCGKSA-N 0 0 316.426 3.432 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000180750178 1204333906 /nfs/dbraw/zinc/33/39/06/1204333906.db2.gz JSBJPKZLYAIUJV-CQSZACIVSA-N 0 0 317.433 3.414 10 30 DGEERN COc1ccc(/C=C(/C)C(=O)OCC2(C#N)CCC2)cc1F ZINC000588478102 1082426417 /nfs/dbraw/zinc/42/64/17/1082426417.db2.gz SNLTWJURWWTASS-WQLSENKSSA-N 0 0 303.333 3.475 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000588479260 1082427622 /nfs/dbraw/zinc/42/76/22/1082427622.db2.gz FLQOQMASXMMGCC-XZVRFQMRSA-N 0 0 320.348 3.026 10 30 DGEERN C=CC[C@@H](CO)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC000588479109 1082427652 /nfs/dbraw/zinc/42/76/52/1082427652.db2.gz WBUJATYMMABZKK-IEHMKBBKSA-N 0 0 314.212 3.450 10 30 DGEERN COC[C@@H]1CCCCN1c1cc(Br)ccc1C#N ZINC000307765538 1082716808 /nfs/dbraw/zinc/71/68/08/1082716808.db2.gz AUZYRLNWPDJWJC-ZDUSSCGKSA-N 0 0 309.207 3.326 10 30 DGEERN N#Cc1cc(N2CCc3c2cccc3Br)ccn1 ZINC000712192525 1085628479 /nfs/dbraw/zinc/62/84/79/1085628479.db2.gz HOGDQLAKTCFHBH-UHFFFAOYSA-N 0 0 300.159 3.410 10 30 DGEERN C=CCCCC(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000176567604 1087987933 /nfs/dbraw/zinc/98/79/33/1087987933.db2.gz BONFZTFYPVKTMN-UHFFFAOYSA-N 0 0 310.353 3.385 10 30 DGEERN COCc1ccc(C(=O)OCC#Cc2cccc(OC)c2)cc1 ZINC000176605672 1088192715 /nfs/dbraw/zinc/19/27/15/1088192715.db2.gz JVFGCQXEANZMPF-UHFFFAOYSA-N 0 0 310.349 3.050 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@@H](C#N)C2)sc1Br ZINC000094535087 1090583185 /nfs/dbraw/zinc/58/31/85/1090583185.db2.gz XDVYEJWOSVQFLB-VIFPVBQESA-N 0 0 313.220 3.195 10 30 DGEERN C=CCc1cc(CNc2cnn(CCC)c2)cc(OC)c1O ZINC000090190801 1092690942 /nfs/dbraw/zinc/69/09/42/1092690942.db2.gz NKIYGDZQBPRSKW-UHFFFAOYSA-N 0 0 301.390 3.348 10 30 DGEERN C=C[C@H](C)ONC(=O)c1ccc(Br)c(Cl)c1 ZINC000400929495 1093925378 /nfs/dbraw/zinc/92/53/78/1093925378.db2.gz KCFHPXFKZVBGEJ-ZETCQYMHSA-N 0 0 304.571 3.338 10 30 DGEERN C[C@H]1COCC[C@H]1Nc1ccc(C#N)c(Br)c1F ZINC000306026734 1094050292 /nfs/dbraw/zinc/05/02/92/1094050292.db2.gz ULNDPNJIGQEGSI-WCBMZHEXSA-N 0 0 313.170 3.297 10 30 DGEERN C#CCN(C1CCCC1)S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000586149434 1096526827 /nfs/dbraw/zinc/52/68/27/1096526827.db2.gz IZMLFTOJRMHBCH-UHFFFAOYSA-N 0 0 321.442 3.040 10 30 DGEERN CC1(C)OCC[C@@H]1Nc1ccc(C#N)c(Br)c1F ZINC000328291264 1098127499 /nfs/dbraw/zinc/12/74/99/1098127499.db2.gz BTJIPUMSOGPOCP-JTQLQIEISA-N 0 0 313.170 3.439 10 30 DGEERN O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCC[C@@H]1O ZINC000172454892 1103349418 /nfs/dbraw/zinc/34/94/18/1103349418.db2.gz FMHVZWAEXKVFCO-OALUTQOASA-N 0 0 320.392 3.121 10 30 DGEERN CC1(C)CO[C@@H](CCNc2ncc(Br)cc2C#N)C1 ZINC000717360338 1104259116 /nfs/dbraw/zinc/25/91/16/1104259116.db2.gz XOLDFMLSSJQMEC-LBPRGKRZSA-N 0 0 324.222 3.333 10 30 DGEERN CCc1c[nH]c(CNc2ccc(C#N)c(Br)c2F)n1 ZINC000719164441 1104837310 /nfs/dbraw/zinc/83/73/10/1104837310.db2.gz ZBBXMCCBHMYSIJ-UHFFFAOYSA-N 0 0 323.169 3.357 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(SC(F)F)nc1 ZINC000278297749 214074599 /nfs/dbraw/zinc/07/45/99/214074599.db2.gz DFSFNAUYKIGMSO-ZYHUDNBSSA-N 0 0 314.357 3.316 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1OCC1CC1 ZINC000278315953 214086376 /nfs/dbraw/zinc/08/63/76/214086376.db2.gz JHLVQKHLKABXOW-SJLPKXTDSA-N 0 0 315.413 3.073 10 30 DGEERN N#Cc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1F ZINC000076880840 185048604 /nfs/dbraw/zinc/04/86/04/185048604.db2.gz VWOVGZHZGWGACX-UHFFFAOYSA-N 0 0 324.271 3.339 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000129312287 432003446 /nfs/dbraw/zinc/00/34/46/432003446.db2.gz WTUMPQPGWYBPOE-AWEZNQCLSA-N 0 0 300.321 3.233 10 30 DGEERN COC(=O)[C@@H](N[C@@H](C)c1ccccc1C)c1cccc(C#N)c1 ZINC000083029399 185211733 /nfs/dbraw/zinc/21/17/33/185211733.db2.gz MNNHHCFOEYTMAA-KSSFIOAISA-N 0 0 308.381 3.432 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000063320274 432005286 /nfs/dbraw/zinc/00/52/86/432005286.db2.gz CRMPERSORAPHJH-UHFFFAOYSA-N 0 0 316.317 3.111 10 30 DGEERN CCc1cnccc1[C@H](C)NC(=O)NCC1CCC(C#N)CC1 ZINC000441039128 529680250 /nfs/dbraw/zinc/68/02/50/529680250.db2.gz VNTMPIZATOJGTN-NFOMZHRRSA-N 0 0 314.433 3.334 10 30 DGEERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000092585964 185327040 /nfs/dbraw/zinc/32/70/40/185327040.db2.gz NBLYLLBTYDBHCI-CYBMUJFWSA-N 0 0 319.405 3.030 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000302127111 529760998 /nfs/dbraw/zinc/76/09/98/529760998.db2.gz WSKYCANUYGVPAL-QGZVFWFLSA-N 0 0 322.412 3.361 10 30 DGEERN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC[C@H]1CO1 ZINC000103539894 432011888 /nfs/dbraw/zinc/01/18/88/432011888.db2.gz CMVRDQOLJDTNPX-YFKPBYRVSA-N 0 0 320.151 3.260 10 30 DGEERN N#Cc1cccc(/C=C/C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000109052393 185548490 /nfs/dbraw/zinc/54/84/90/185548490.db2.gz HAPHGTCVYXKZSN-FYCOFBDGSA-N 0 0 323.421 3.434 10 30 DGEERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cc(C#N)ccc3C)C2)c1 ZINC000111741796 185633077 /nfs/dbraw/zinc/63/30/77/185633077.db2.gz XNVZSZVQGIWJSQ-INIZCTEOSA-N 0 0 323.400 3.241 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000277787101 213766706 /nfs/dbraw/zinc/76/67/06/213766706.db2.gz WZORSLQIWJGQRR-RLCCDNCMSA-N 0 0 324.371 3.306 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1csc(C(C)C)n1 ZINC000119244617 185713305 /nfs/dbraw/zinc/71/33/05/185713305.db2.gz FXFPCKAROIPEMH-UHFFFAOYSA-N 0 0 313.426 3.419 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(C#N)cc1C ZINC000121457190 185803119 /nfs/dbraw/zinc/80/31/19/185803119.db2.gz BRBPJAULYNGBRR-MRXNPFEDSA-N 0 0 300.402 3.288 10 30 DGEERN N#Cc1cccc(NC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000130279213 432019446 /nfs/dbraw/zinc/01/94/46/432019446.db2.gz RNUPAQIACOGXTL-UHFFFAOYSA-N 0 0 321.258 3.147 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000277423089 213514878 /nfs/dbraw/zinc/51/48/78/213514878.db2.gz KGUCRGKEEUOKTB-UHFFFAOYSA-N 0 0 318.214 3.070 10 30 DGEERN C#Cc1c2ccn(Cc3ccc(F)cc3)c2cnc1C(=O)OCC ZINC000146766565 186038515 /nfs/dbraw/zinc/03/85/15/186038515.db2.gz XWMFHEFNOBKDNA-UHFFFAOYSA-N 0 0 322.339 3.382 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000150795209 186066528 /nfs/dbraw/zinc/06/65/28/186066528.db2.gz XRLLHXIIGYFLTJ-UHFFFAOYSA-N 0 0 321.396 3.092 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067057681 432025641 /nfs/dbraw/zinc/02/56/41/432025641.db2.gz BKMOYKLWLHXXOO-UHFFFAOYSA-N 0 0 302.252 3.094 10 30 DGEERN CC1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCCCC1 ZINC000451310518 535154489 /nfs/dbraw/zinc/15/44/89/535154489.db2.gz ROQPFLDOSXZJSE-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN C=CC[C@@H](C)NC(=O)Cc1cc(Br)ccc1OC ZINC000173800605 198253764 /nfs/dbraw/zinc/25/37/64/198253764.db2.gz MOKKPJGTHRIWQH-SNVBAGLBSA-N 0 0 312.207 3.081 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)c1cccnc1 ZINC000174161472 198300620 /nfs/dbraw/zinc/30/06/20/198300620.db2.gz TWCFZAMLCYZWNN-OAHLLOKOSA-N 0 0 310.397 3.409 10 30 DGEERN N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C1CC1 ZINC000179063548 432037678 /nfs/dbraw/zinc/03/76/78/432037678.db2.gz REXCIMHYTHGWIP-INIZCTEOSA-N 0 0 311.772 3.434 10 30 DGEERN C=CCCCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176426104 198585094 /nfs/dbraw/zinc/58/50/94/198585094.db2.gz ISJGRHBQVZISAC-CQSZACIVSA-N 0 0 302.422 3.024 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000004959106 181179614 /nfs/dbraw/zinc/17/96/14/181179614.db2.gz GSJGHHAYOLLAKX-KBPBESRZSA-N 0 0 306.365 3.303 10 30 DGEERN CC(=O)Oc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000005481194 181248682 /nfs/dbraw/zinc/24/86/82/181248682.db2.gz GIKSITFYKSXPLE-UHFFFAOYSA-N 0 0 314.728 3.389 10 30 DGEERN CN(C)c1ccc(CN=Nc2nc3ccccc3c(=O)s2)cc1 ZINC000005569657 181258729 /nfs/dbraw/zinc/25/87/29/181258729.db2.gz XHUYFYYCUDXAFA-WOJGMQOQSA-N 0 0 324.409 3.169 10 30 DGEERN N#Cc1ccc(N2C(=O)N[C@H](c3ccc(Cl)cc3)C2=O)cc1 ZINC000192404217 283152737 /nfs/dbraw/zinc/15/27/37/283152737.db2.gz NCIHHYCRVVRXQU-CQSZACIVSA-N 0 0 311.728 3.009 10 30 DGEERN CCCCc1nc2cc(NC(=O)c3cc(C#N)cn3C)ccc2[nH]1 ZINC000081051374 192221280 /nfs/dbraw/zinc/22/12/80/192221280.db2.gz YDJLCIUFFAFGCH-UHFFFAOYSA-N 0 0 321.384 3.368 10 30 DGEERN N#Cc1cccc(OCCCOc2ccccc2-c2nc[nH]n2)c1 ZINC000165359211 432055633 /nfs/dbraw/zinc/05/56/33/432055633.db2.gz FBEFHPLPPXDJJA-UHFFFAOYSA-N 0 0 320.352 3.191 10 30 DGEERN N#Cc1ccc2ncc(CN3CCS[C@@H]4CCCC[C@@H]43)n2c1 ZINC000093690051 283201338 /nfs/dbraw/zinc/20/13/38/283201338.db2.gz AWSURMLFLRGIDT-JKSUJKDBSA-N 0 0 312.442 3.066 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cc(F)c(F)cc1F ZINC000178474083 198873906 /nfs/dbraw/zinc/87/39/06/198873906.db2.gz AROPFIQZTNHFAB-UHFFFAOYSA-N 0 0 311.225 3.223 10 30 DGEERN C[C@H]1Cc2ccccc2CN1Cc1cnc2ccc(C#N)cn12 ZINC000179909787 432073887 /nfs/dbraw/zinc/07/38/87/432073887.db2.gz ZANFHMZXFLBFID-AWEZNQCLSA-N 0 0 302.381 3.153 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)Cn1ccccc1=O ZINC000276645408 213019311 /nfs/dbraw/zinc/01/93/11/213019311.db2.gz RLBTWAKHJTYDLH-UHFFFAOYSA-N 0 0 310.397 3.339 10 30 DGEERN N#Cc1ccc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)o1 ZINC000180179503 432080076 /nfs/dbraw/zinc/08/00/76/432080076.db2.gz WKRBZPQBPXURIQ-UHFFFAOYSA-N 0 0 305.341 3.426 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)cs1 ZINC000187008244 200047406 /nfs/dbraw/zinc/04/74/06/200047406.db2.gz UCOGPKDVAKGPCK-LBPRGKRZSA-N 0 0 303.412 3.362 10 30 DGEERN C=CC[C@@H](C(=O)N[C@H](C)CCC(=O)OCC)c1ccccc1 ZINC000188877497 200315179 /nfs/dbraw/zinc/31/51/79/200315179.db2.gz AHXQUVPWUUXOGB-GDBMZVCRSA-N 0 0 303.402 3.194 10 30 DGEERN CO[C@H](C)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000190801296 200586960 /nfs/dbraw/zinc/58/69/60/200586960.db2.gz LNDBSKMZCDOHSV-CQSZACIVSA-N 0 0 323.396 3.059 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(F)c(Br)c2)c1 ZINC000436015611 238384354 /nfs/dbraw/zinc/38/43/54/238384354.db2.gz NTPHWHGXYVJBET-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN Cc1ccccc1C[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000055557384 283623394 /nfs/dbraw/zinc/62/33/94/283623394.db2.gz GLKMAMONKZYARI-JKSUJKDBSA-N 0 0 322.408 3.381 10 30 DGEERN C=CCC[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000189836426 432095465 /nfs/dbraw/zinc/09/54/65/432095465.db2.gz GHQSFRFKNANJIN-BZSNNMDCSA-N 0 0 301.430 3.404 10 30 DGEERN C=C[C@H](CC(=O)NC1(CC(=O)OC)CCCC1)c1ccccc1 ZINC000193912074 201143307 /nfs/dbraw/zinc/14/33/07/201143307.db2.gz CGTFMLLSGJJCEP-OAHLLOKOSA-N 0 0 315.413 3.338 10 30 DGEERN CC[C@@H](O)CN(Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000135099048 432097650 /nfs/dbraw/zinc/09/76/50/432097650.db2.gz PRDZPOBSHGCICG-GOSISDBHSA-N 0 0 310.397 3.344 10 30 DGEERN Cc1cc2sc(NC(=O)c3ccnc(C#N)c3)nc2c(C)c1 ZINC000195083954 201337321 /nfs/dbraw/zinc/33/73/21/201337321.db2.gz PQBDYXZLFDKLBX-UHFFFAOYSA-N 0 0 308.366 3.432 10 30 DGEERN CCN(C(=O)NCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC000074736598 283804568 /nfs/dbraw/zinc/80/45/68/283804568.db2.gz IQLMHIMOUFXEHI-UHFFFAOYSA-N 0 0 315.417 3.301 10 30 DGEERN COc1ccc(-n2cc(CN3CCC(C)(C#N)CC3)cn2)cc1 ZINC000449229525 240080175 /nfs/dbraw/zinc/08/01/75/240080175.db2.gz BQOWXSNIOWHBGC-UHFFFAOYSA-N 0 0 310.401 3.007 10 30 DGEERN C=CCC1(C(=O)Nc2cncc(C(=O)OC)c2)CCCCC1 ZINC000450201675 240602285 /nfs/dbraw/zinc/60/22/85/240602285.db2.gz AXSWNRWGGOYNTH-UHFFFAOYSA-N 0 0 302.374 3.333 10 30 DGEERN CCCCCCCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135274170 432108104 /nfs/dbraw/zinc/10/81/04/432108104.db2.gz BQLAIHQSCCYCJK-INIZCTEOSA-N 0 0 318.465 3.312 10 30 DGEERN C=CCOc1ccc(CC(=O)N(C)Cc2cnccc2C)cc1 ZINC000451362746 241096962 /nfs/dbraw/zinc/09/69/62/241096962.db2.gz RPWFOSDBZNLQNR-UHFFFAOYSA-N 0 0 310.397 3.156 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000451383228 241102875 /nfs/dbraw/zinc/10/28/75/241102875.db2.gz KAWXUYNFZILZBQ-QWHCGFSZSA-N 0 0 311.360 3.102 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCCC1 ZINC000451206002 241045623 /nfs/dbraw/zinc/04/56/23/241045623.db2.gz ZVRLBHFJIQQAKV-QWHCGFSZSA-N 0 0 319.367 3.285 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451233262 241056003 /nfs/dbraw/zinc/05/60/03/241056003.db2.gz XVXWPRYUZIODAW-ZDUSSCGKSA-N 0 0 309.422 3.430 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451233261 241056223 /nfs/dbraw/zinc/05/62/23/241056223.db2.gz XVXWPRYUZIODAW-CYBMUJFWSA-N 0 0 309.422 3.430 10 30 DGEERN C=CCCN(C)C(=O)c1ccc(C)c(C(=O)N(C)CCC=C)c1 ZINC000451261818 241064144 /nfs/dbraw/zinc/06/41/44/241064144.db2.gz NAZJEAZUUOMWDL-UHFFFAOYSA-N 0 0 314.429 3.291 10 30 DGEERN N#CC1CCC(CNC(=O)c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000451449722 241126792 /nfs/dbraw/zinc/12/67/92/241126792.db2.gz XTSYBIATKKRCQA-UHFFFAOYSA-N 0 0 322.311 3.068 10 30 DGEERN C=CCCc1ccccc1NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000451456898 241129069 /nfs/dbraw/zinc/12/90/69/241129069.db2.gz MDKFYDSYDPLFMF-RDJZCZTQSA-N 0 0 303.402 3.185 10 30 DGEERN CC(C)CCN(C(=O)NCCOc1ccc(C#N)cc1)C1CC1 ZINC000080468744 283897970 /nfs/dbraw/zinc/89/79/70/283897970.db2.gz NRBARUUAWVLXSW-UHFFFAOYSA-N 0 0 315.417 3.157 10 30 DGEERN C(#Cc1ccccc1)C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451946141 241281310 /nfs/dbraw/zinc/28/13/10/241281310.db2.gz YOLFYNZEUFNZND-UHFFFAOYSA-N 0 0 305.421 3.420 10 30 DGEERN CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C#N)cn1C ZINC000080973098 283906622 /nfs/dbraw/zinc/90/66/22/283906622.db2.gz WEYFWFGIFJVVSI-UHFFFAOYSA-N 0 0 321.380 3.478 10 30 DGEERN C=CCn1c(N2CCc3cc(C)ccc32)nnc1[C@]1(C)CCCO1 ZINC000453434737 241785020 /nfs/dbraw/zinc/78/50/20/241785020.db2.gz FMJCHMDJHZOXLK-IBGZPJMESA-N 0 0 324.428 3.492 10 30 DGEERN C=CCn1c(N2CCc3cc(C)ccc32)nnc1[C@@]1(C)CCCO1 ZINC000453434741 241785072 /nfs/dbraw/zinc/78/50/72/241785072.db2.gz FMJCHMDJHZOXLK-LJQANCHMSA-N 0 0 324.428 3.492 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000454689429 242010632 /nfs/dbraw/zinc/01/06/32/242010632.db2.gz MDOKIBCCDSDNBK-MRXNPFEDSA-N 0 0 306.381 3.095 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000455325999 242170865 /nfs/dbraw/zinc/17/08/65/242170865.db2.gz NYMGEHXDSNFBGG-GOSISDBHSA-N 0 0 300.402 3.184 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455640744 242256288 /nfs/dbraw/zinc/25/62/88/242256288.db2.gz QZVAQSNWNLAUDN-BDAKNGLRSA-N 0 0 307.341 3.400 10 30 DGEERN C=CCSCCNC(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000455808327 242289225 /nfs/dbraw/zinc/28/92/25/242289225.db2.gz AICRBJVGTLEDCG-UHFFFAOYSA-N 0 0 317.414 3.284 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)Nc2cccc(CC#N)c2)n1 ZINC000455920881 242312132 /nfs/dbraw/zinc/31/21/32/242312132.db2.gz ODFBZPSFJAKPER-LLVKDONJSA-N 0 0 300.387 3.400 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)NC[C@@](C)(O)C2CCCCC2)c1 ZINC000455948446 242316760 /nfs/dbraw/zinc/31/67/60/242316760.db2.gz AZCDVURXVFYXPF-GOSISDBHSA-N 0 0 315.417 3.320 10 30 DGEERN C=C(CC)CNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000456815977 242565295 /nfs/dbraw/zinc/56/52/95/242565295.db2.gz ZYKYTHLLWADAMH-KRWDZBQOSA-N 0 0 303.402 3.006 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@@](O)(C(F)F)C1)c1ccccc1 ZINC000458577449 243094459 /nfs/dbraw/zinc/09/44/59/243094459.db2.gz OVAASVAHZZOACN-YOEHRIQHSA-N 0 0 324.371 3.105 10 30 DGEERN C=CCC1(CNC(=O)NCCCc2ccccn2)CCCC1 ZINC000458578498 243095521 /nfs/dbraw/zinc/09/55/21/243095521.db2.gz PGLODZJPCWIHPC-UHFFFAOYSA-N 0 0 301.434 3.450 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCC(C(F)F)CC1 ZINC000458733731 243142500 /nfs/dbraw/zinc/14/25/00/243142500.db2.gz MIRIOYKVPJVOJN-HHTDUIENSA-N 0 0 316.392 3.091 10 30 DGEERN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCOC[C@@H](C)C1 ZINC000460811997 243569069 /nfs/dbraw/zinc/56/90/69/243569069.db2.gz IFHUBRSZEXWVJG-HNNXBMFYSA-N 0 0 318.465 3.060 10 30 DGEERN C[C@@H]1C[C@]23O[C@H]2C(=O)CC[C@@H]3[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]12 ZINC000261493367 203073726 /nfs/dbraw/zinc/07/37/26/203073726.db2.gz WKIALNATROGPCW-SCZBCYHVSA-N 0 0 318.457 3.336 10 30 DGEERN CCOC1CC(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000190063047 432119742 /nfs/dbraw/zinc/11/97/42/432119742.db2.gz GXSAZYOAJQBSBY-UHFFFAOYSA-N 0 0 312.413 3.177 10 30 DGEERN C=CCCCCNC(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000472857199 244317383 /nfs/dbraw/zinc/31/73/83/244317383.db2.gz ZIRQXYVOVXGZKC-UHFFFAOYSA-N 0 0 306.381 3.258 10 30 DGEERN C=CCCCN(C)C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000275035880 212085344 /nfs/dbraw/zinc/08/53/44/212085344.db2.gz JFKUEGJUFYWCSD-UHFFFAOYSA-N 0 0 320.824 3.334 10 30 DGEERN C[C@H]1C[C@@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477952548 244599425 /nfs/dbraw/zinc/59/94/25/244599425.db2.gz XGRFGMPRUUFBEG-WCQYABFASA-N 0 0 310.319 3.012 10 30 DGEERN N#Cc1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)o1 ZINC000093838460 193314791 /nfs/dbraw/zinc/31/47/91/193314791.db2.gz AQVKVPNFJOUYIZ-AWEZNQCLSA-N 0 0 302.761 3.458 10 30 DGEERN CC[C@@H](O)CN(CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000120798481 284178607 /nfs/dbraw/zinc/17/86/07/284178607.db2.gz FYQRRIMKRKMTFN-GOSISDBHSA-N 0 0 310.397 3.215 10 30 DGEERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000486953970 245002603 /nfs/dbraw/zinc/00/26/03/245002603.db2.gz HGEFTTPAYBPIMC-UHFFFAOYSA-N 0 0 312.822 3.165 10 30 DGEERN C=CCOCCCC(=O)Nc1cc(-c2ccsc2)nn1C ZINC000488275688 245170055 /nfs/dbraw/zinc/17/00/55/245170055.db2.gz AWXUGBQJIHCQRL-UHFFFAOYSA-N 0 0 305.403 3.070 10 30 DGEERN Cc1cc(NC(=O)c2sccc2C#N)n(-c2cc(C)ccn2)n1 ZINC000488206428 245161318 /nfs/dbraw/zinc/16/13/18/245161318.db2.gz VTDFRVLDDCSZTM-UHFFFAOYSA-N 0 0 323.381 3.070 10 30 DGEERN C=CCCCN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000135079508 335019170 /nfs/dbraw/zinc/01/91/70/335019170.db2.gz JUVYDAVOSCRRRY-UHFFFAOYSA-N 0 0 322.836 3.275 10 30 DGEERN O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCCC1 ZINC000016451074 182045055 /nfs/dbraw/zinc/04/50/55/182045055.db2.gz QAIAYYKBOMASMI-CZIZESTLSA-N 0 0 305.381 3.207 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000128731979 284385077 /nfs/dbraw/zinc/38/50/77/284385077.db2.gz CMQBUWKNPSDVKO-UHFFFAOYSA-N 0 0 323.352 3.440 10 30 DGEERN C[C@@H](Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000019951409 182169299 /nfs/dbraw/zinc/16/92/99/182169299.db2.gz ICHFAYVGWFTWBK-GFCCVEGCSA-N 0 0 300.383 3.135 10 30 DGEERN Cc1ccc(Oc2ncccc2/C(N)=N/O)c(Br)c1 ZINC000020077888 182184971 /nfs/dbraw/zinc/18/49/71/182184971.db2.gz MZBMVGUZJIPWJH-UHFFFAOYSA-N 0 0 322.162 3.039 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000190217742 432132868 /nfs/dbraw/zinc/13/28/68/432132868.db2.gz IWGJYKGPMQGPTF-UHFFFAOYSA-N 0 0 310.781 3.209 10 30 DGEERN Cc1sc(NC(=O)CN2CCS[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000246461694 432133422 /nfs/dbraw/zinc/13/34/22/432133422.db2.gz WABOUYWIPNISNY-PWSUYJOCSA-N 0 0 323.487 3.001 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000494509924 246157547 /nfs/dbraw/zinc/15/75/47/246157547.db2.gz VPCXTARDCGRPAJ-GXTWGEPZSA-N 0 0 315.335 3.036 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N(CCC#N)Cc1ccco1 ZINC000190240032 432135087 /nfs/dbraw/zinc/13/50/87/432135087.db2.gz OPIGQORKSBHATA-UHFFFAOYSA-N 0 0 315.373 3.331 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000246487734 432136002 /nfs/dbraw/zinc/13/60/02/432136002.db2.gz AKWCBXMKPZYCDK-ZBFHGGJFSA-N 0 0 317.433 3.123 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](NC(=O)[C@@H](C)CC(=C)C)C(C)C ZINC000274363517 211549181 /nfs/dbraw/zinc/54/91/81/211549181.db2.gz QABDZXUXSJZTDS-YESZJQIVSA-N 0 0 322.493 3.448 10 30 DGEERN CNC1=C(c2cc(Cl)ccn2)C(=O)[C@H](c2ccc(C)cc2)O1 ZINC000039127574 183014170 /nfs/dbraw/zinc/01/41/70/183014170.db2.gz SYWVDHKPOKOXEC-INIZCTEOSA-N 0 0 314.772 3.272 10 30 DGEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCc1ccccc1 ZINC000040194201 183044759 /nfs/dbraw/zinc/04/47/59/183044759.db2.gz KJLIOAPUVPZMJT-UHFFFAOYSA-N 0 0 319.408 3.471 10 30 DGEERN C=CCNc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701706 183119801 /nfs/dbraw/zinc/11/98/01/183119801.db2.gz BPNZHRJAPNDGAG-UHFFFAOYSA-N 0 0 309.295 3.419 10 30 DGEERN C=CCNc1ncnc(Sc2cccc3cccnc32)c1N ZINC000040709207 183121043 /nfs/dbraw/zinc/12/10/43/183121043.db2.gz NFEWZRUYYRVULG-UHFFFAOYSA-N 0 0 309.398 3.356 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000043165321 183342882 /nfs/dbraw/zinc/34/28/82/183342882.db2.gz GTLMSCGBOGJMJF-KRWDZBQOSA-N 0 0 321.380 3.223 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1O ZINC000153528137 284676273 /nfs/dbraw/zinc/67/62/73/284676273.db2.gz GPHBIUXRUPMCDF-SNVBAGLBSA-N 0 0 316.744 3.323 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2ccc(NC(C)=O)cc2)no1)OCC ZINC000273792104 211064089 /nfs/dbraw/zinc/06/40/89/211064089.db2.gz ULXWGIRYFHPEMC-HNNXBMFYSA-N 0 0 315.373 3.219 10 30 DGEERN COc1ccc(-c2noc([C@H](C)Oc3ccccc3C#N)n2)cn1 ZINC000109589178 194274739 /nfs/dbraw/zinc/27/47/39/194274739.db2.gz OWDSOUYUDKGYOK-NSHDSACASA-N 0 0 322.324 3.152 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(Cl)cn1 ZINC000109732996 194281758 /nfs/dbraw/zinc/28/17/58/194281758.db2.gz WSHNARISWFNWPK-LLVKDONJSA-N 0 0 315.760 3.037 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000273545227 210858295 /nfs/dbraw/zinc/85/82/95/210858295.db2.gz UNMMFLXTSPAGSP-NEPJUHHUSA-N 0 0 305.340 3.205 10 30 DGEERN CC[C@@H]1S/C(=N\N=C\c2ccc(C(C)(C)C)cc2)NC1=O ZINC000059434422 184138503 /nfs/dbraw/zinc/13/85/03/184138503.db2.gz IUDKVGLPCOIFCH-VZWMTCDZSA-N 0 0 303.431 3.316 10 30 DGEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1Br ZINC000061892123 184193000 /nfs/dbraw/zinc/19/30/00/184193000.db2.gz VYZMJHFZOTZLJO-YPMHNXCESA-N 0 0 309.207 3.240 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117573501 194833267 /nfs/dbraw/zinc/83/32/67/194833267.db2.gz XYWIXJICVRTJIL-PIGZYNQJSA-N 0 0 309.321 3.037 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000176448112 252703563 /nfs/dbraw/zinc/70/35/63/252703563.db2.gz XSUZQAITZKCLOI-OWOJBTEDSA-N 0 0 324.355 3.296 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000119882154 195054056 /nfs/dbraw/zinc/05/40/56/195054056.db2.gz RNHVCRDWQFJRFM-KRWDZBQOSA-N 0 0 305.381 3.193 10 30 DGEERN CO[C@@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@H]1C ZINC000336810848 253001550 /nfs/dbraw/zinc/00/15/50/253001550.db2.gz JRVAPMAAWRAYCE-IAQYHMDHSA-N 0 0 323.234 3.178 10 30 DGEERN C=C(C)[C@@H](CC(=O)N(C)Cc1nc2c(s1)CCCC2)OCC ZINC000270187267 208252102 /nfs/dbraw/zinc/25/21/02/208252102.db2.gz OCUUMFGLEWMWDY-CQSZACIVSA-N 0 0 322.474 3.352 10 30 DGEERN CSc1nnc(-c2noc([C@]3(C#N)CC34CCCC4)n2)s1 ZINC000333376182 533085138 /nfs/dbraw/zinc/08/51/38/533085138.db2.gz AGLSAGHUAWVBKT-CYBMUJFWSA-N 0 0 319.415 3.035 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F ZINC000158248200 197257425 /nfs/dbraw/zinc/25/74/25/197257425.db2.gz JVGMSQQDSHHYED-CHWSQXEVSA-N 0 0 313.275 3.133 10 30 DGEERN N#Cc1ccc(OCCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157606862 197201669 /nfs/dbraw/zinc/20/16/69/197201669.db2.gz YXKBPMIDLPVFRZ-MRXNPFEDSA-N 0 0 314.410 3.072 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1cccc(C#N)c1 ZINC000156430442 197112789 /nfs/dbraw/zinc/11/27/89/197112789.db2.gz KHIPOANSUTZZCY-LBPRGKRZSA-N 0 0 309.373 3.047 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C#Cc1ccccc1 ZINC000156184653 197092966 /nfs/dbraw/zinc/09/29/66/197092966.db2.gz KFDLNDQHXDDUMD-CQSZACIVSA-N 0 0 309.413 3.175 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(SC)c1C ZINC000271616200 209062828 /nfs/dbraw/zinc/06/28/28/209062828.db2.gz CCQYFTVXZXHLEY-UHFFFAOYSA-N 0 0 306.431 3.080 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000120990728 195276217 /nfs/dbraw/zinc/27/62/17/195276217.db2.gz SKMAZXJAPSSELX-GFCCVEGCSA-N 0 0 318.373 3.045 10 30 DGEERN Cc1nnc(-c2cccc(NC(=O)c3ccc(C#N)cc3C)c2)o1 ZINC000125769047 195783171 /nfs/dbraw/zinc/78/31/71/195783171.db2.gz RGDRTBRGLBMDEB-UHFFFAOYSA-N 0 0 318.336 3.477 10 30 DGEERN COCCN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CC[C@H](C)C1 ZINC000442738588 533308463 /nfs/dbraw/zinc/30/84/63/533308463.db2.gz OTTNUZIRBVVXOM-ZGRYLRDCSA-N 0 0 321.465 3.163 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@H](C)F ZINC000458867546 533509361 /nfs/dbraw/zinc/50/93/61/533509361.db2.gz BZHPODAVTPSOBM-AWEZNQCLSA-N 0 0 310.417 3.300 10 30 DGEERN C[C@H](CC#N)N(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094107602 533601053 /nfs/dbraw/zinc/60/10/53/533601053.db2.gz SHGFQEQUUYJRGE-GFCCVEGCSA-N 0 0 302.374 3.016 10 30 DGEERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ncccc1C#N ZINC000302418200 533619982 /nfs/dbraw/zinc/61/99/82/533619982.db2.gz IJJFVEMDNWNLHO-JSGCOSHPSA-N 0 0 316.405 3.011 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CCn2cnc3ccccc3c2=O)no1 ZINC000289870622 335066534 /nfs/dbraw/zinc/06/65/34/335066534.db2.gz VCSWEQMVDRPRSC-CYBMUJFWSA-N 0 0 324.384 3.092 10 30 DGEERN C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCO[C@H](C#N)C1 ZINC000584681734 400087540 /nfs/dbraw/zinc/08/75/40/400087540.db2.gz RABBUIPSQCIRQV-CUXKMMBLSA-N 0 0 310.319 3.333 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC000616274162 400115683 /nfs/dbraw/zinc/11/56/83/400115683.db2.gz NMKWHMFMTVBFGH-HNNXBMFYSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCC(CC=C)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600478758 400082957 /nfs/dbraw/zinc/08/29/57/400082957.db2.gz OPOVPJCFJXPVAI-UHFFFAOYSA-N 0 0 324.424 3.449 10 30 DGEERN Cc1cc(C#N)nc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000587607659 400174263 /nfs/dbraw/zinc/17/42/63/400174263.db2.gz OEQAFWAGSNUBBN-SJLPKXTDSA-N 0 0 322.412 3.261 10 30 DGEERN C=CCCC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000588017388 400180771 /nfs/dbraw/zinc/18/07/71/400180771.db2.gz WWMHNYOQXKUGQW-UHFFFAOYSA-N 0 0 315.200 3.357 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cn1 ZINC000328614564 400182189 /nfs/dbraw/zinc/18/21/89/400182189.db2.gz AJVQOEOPUWIIQN-WCXIOVBPSA-N 0 0 311.385 3.010 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1cnc(C)nc1C ZINC000328623115 400182407 /nfs/dbraw/zinc/18/24/07/400182407.db2.gz IWMNRMFTFIWABT-LBPRGKRZSA-N 0 0 316.430 3.283 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C)c(SC)c1 ZINC000616605524 400183104 /nfs/dbraw/zinc/18/31/04/400183104.db2.gz KGSYKSGZVIQJDX-AWEZNQCLSA-N 0 0 306.431 3.126 10 30 DGEERN N#Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616609923 400184397 /nfs/dbraw/zinc/18/43/97/400184397.db2.gz JENHRALVDBEDCV-KRWDZBQOSA-N 0 0 312.394 3.084 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](OC)C1CCCC1 ZINC000616300984 400120243 /nfs/dbraw/zinc/12/02/43/400120243.db2.gz HUROBKNLNGLROF-MSOLQXFVSA-N 0 0 301.430 3.495 10 30 DGEERN C#CCCN1CCN(c2ccc3c(Cl)ccnc3c2F)CC1 ZINC000091480571 400122743 /nfs/dbraw/zinc/12/27/43/400122743.db2.gz JQHXLSOHZQDRRY-UHFFFAOYSA-N 0 0 317.795 3.173 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1cc(F)ccc1OC(C)C ZINC000066826835 400123482 /nfs/dbraw/zinc/12/34/82/400123482.db2.gz XONHXBOQSWQZTR-UHFFFAOYSA-N 0 0 308.397 3.449 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccc(C#N)cc1 ZINC000066853088 400124431 /nfs/dbraw/zinc/12/44/31/400124431.db2.gz LHLHPVLHCZHIPL-OXQOHEQNSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@@H](O)C(C)(C)Nc1cc(Br)c(C#N)cc1F ZINC000310281462 400133556 /nfs/dbraw/zinc/13/35/56/400133556.db2.gz HMOFYTWBRKBQNK-SSDOTTSWSA-N 0 0 301.159 3.031 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC000616483567 400156647 /nfs/dbraw/zinc/15/66/47/400156647.db2.gz GGOWQUHASWEHKQ-ROUUACIJSA-N 0 0 320.477 3.323 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000610196527 400220329 /nfs/dbraw/zinc/22/03/29/400220329.db2.gz IYOADXTYCVZGCS-ATZDWAIDSA-N 0 0 312.413 3.171 10 30 DGEERN C=CCOCc1nc(Cc2c[nH]c3cccc(OCC)c23)no1 ZINC000350998494 400228177 /nfs/dbraw/zinc/22/81/77/400228177.db2.gz RKKMVPIGWMNDAJ-UHFFFAOYSA-N 0 0 313.357 3.243 10 30 DGEERN C=CCC1(c2nc(-c3c(C)onc3CC)no2)CCOCC1 ZINC000351283889 400245209 /nfs/dbraw/zinc/24/52/09/400245209.db2.gz CXZXIXLBOWAERG-UHFFFAOYSA-N 0 0 303.362 3.220 10 30 DGEERN C=CCC1(c2nc(-c3ccc4cnn(C)c4c3)no2)CCOCC1 ZINC000351321327 400247665 /nfs/dbraw/zinc/24/76/65/400247665.db2.gz BDFAZODCZISKQH-UHFFFAOYSA-N 0 0 324.384 3.248 10 30 DGEERN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000026126355 400250805 /nfs/dbraw/zinc/25/08/05/400250805.db2.gz BGCXIJSLIBSFFA-KBPBESRZSA-N 0 0 324.380 3.212 10 30 DGEERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000026134303 400252022 /nfs/dbraw/zinc/25/20/22/400252022.db2.gz NRQBGLYONGJWAM-GFCCVEGCSA-N 0 0 307.353 3.008 10 30 DGEERN N#CCCCCCC(=O)NCCOCc1ccc(Cl)cc1 ZINC000588162497 400194135 /nfs/dbraw/zinc/19/41/35/400194135.db2.gz VFISOTPPTPBAEX-UHFFFAOYSA-N 0 0 308.809 3.447 10 30 DGEERN C[C@H]1CN(C(=O)CCCCCC#N)C[C@H](c2ccccc2)O1 ZINC000588310091 400210353 /nfs/dbraw/zinc/21/03/53/400210353.db2.gz IJGJGHDXISTSJG-DOTOQJQBSA-N 0 0 300.402 3.449 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)c1ccc(Cl)cc1 ZINC000092961094 400216061 /nfs/dbraw/zinc/21/60/61/400216061.db2.gz XTGXCICUBHUJFB-HNNXBMFYSA-N 0 0 317.732 3.265 10 30 DGEERN Cc1cn(-c2ccccc2)nc1NC(=O)Cc1cccc(C#N)c1 ZINC000610521552 400270539 /nfs/dbraw/zinc/27/05/39/400270539.db2.gz JOBMZVQQVUBBGU-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)nn(C)c1C ZINC000617037103 400287828 /nfs/dbraw/zinc/28/78/28/400287828.db2.gz IJIWEBYFGFPUBF-DOTOQJQBSA-N 0 0 303.450 3.221 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617038570 400288729 /nfs/dbraw/zinc/28/87/29/400288729.db2.gz ZARJTLIEZBVIGS-GJZGRUSLSA-N 0 0 301.386 3.209 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cccn2)n1 ZINC000617040201 400289896 /nfs/dbraw/zinc/28/98/96/400289896.db2.gz QSNGPHNWDRGGKV-LSDHHAIUSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1NC(C)=O ZINC000617041268 400289998 /nfs/dbraw/zinc/28/99/98/400289998.db2.gz BJEVLXQUWHQNHZ-RDJZCZTQSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)c2cccn21 ZINC000617041279 400290085 /nfs/dbraw/zinc/29/00/85/400290085.db2.gz BOJNZKYYQZVFMI-IIAWOOMASA-N 0 0 300.402 3.257 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617042988 400291105 /nfs/dbraw/zinc/29/11/05/400291105.db2.gz XXIUZSAWHXGMGA-ZBFHGGJFSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccccc1OC ZINC000617042822 400291260 /nfs/dbraw/zinc/29/12/60/400291260.db2.gz WCFDGAQBCVQKKJ-ZFWWWQNUSA-N 0 0 301.386 3.129 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cnc2c1CCCC2 ZINC000617042874 400291280 /nfs/dbraw/zinc/29/12/80/400291280.db2.gz WMKINIMSPQAGJH-LSDHHAIUSA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000617043148 400291521 /nfs/dbraw/zinc/29/15/21/400291521.db2.gz ZZFIZFHOSQJFOV-MCIONIFRSA-N 0 0 318.383 3.122 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnn1CC(F)(F)F ZINC000617043645 400291905 /nfs/dbraw/zinc/29/19/05/400291905.db2.gz CGZXOVJHHYLXHP-NWDGAFQWSA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000617043950 400292265 /nfs/dbraw/zinc/29/22/65/400292265.db2.gz HANYRJPMHCRDFS-SJLPKXTDSA-N 0 0 324.428 3.061 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601413604 400300706 /nfs/dbraw/zinc/30/07/06/400300706.db2.gz CTSGNAQCDLUWLV-UHFFFAOYSA-N 0 0 308.765 3.263 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000578103691 400325528 /nfs/dbraw/zinc/32/55/28/400325528.db2.gz OKQKJKSATXCEFS-LNLFQRSKSA-N 0 0 317.429 3.128 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(OCC)c1 ZINC000578128625 400325548 /nfs/dbraw/zinc/32/55/48/400325548.db2.gz MURMTUQVVJYVTH-ZFWWWQNUSA-N 0 0 304.390 3.106 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000610880343 400319459 /nfs/dbraw/zinc/31/94/59/400319459.db2.gz NSAFMGWAOGXQOF-LBPRGKRZSA-N 0 0 311.307 3.074 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601195761 400260256 /nfs/dbraw/zinc/26/02/56/400260256.db2.gz BQHDAAFPMOQUCX-DTORHVGOSA-N 0 0 316.283 3.035 10 30 DGEERN Cc1nc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(Cl)cc1C#N ZINC000589690272 400321521 /nfs/dbraw/zinc/32/15/21/400321521.db2.gz XHDHKVWOULOKFF-GXTWGEPZSA-N 0 0 307.825 3.148 10 30 DGEERN C=CCCC1(CNC(=O)CNC(=O)CC(C)(C)C)CCCC1 ZINC000617416293 400383874 /nfs/dbraw/zinc/38/38/74/400383874.db2.gz IZWJTJPAXYRLGJ-UHFFFAOYSA-N 0 0 308.466 3.182 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)NC(=O)c2ccco2)CCCC1 ZINC000617415318 400383995 /nfs/dbraw/zinc/38/39/95/400383995.db2.gz LNEBIMDGSBPABM-AWEZNQCLSA-N 0 0 318.417 3.041 10 30 DGEERN C=CCCC1(CNC(=O)Cc2c(C)nn(C)c2C)CCCC1 ZINC000617416315 400384332 /nfs/dbraw/zinc/38/43/32/400384332.db2.gz KEIBFLFIZYRACZ-UHFFFAOYSA-N 0 0 303.450 3.222 10 30 DGEERN C=CCCC1(CNC(=O)CO[C@@H](C)c2nccn2C)CCCC1 ZINC000617418030 400385391 /nfs/dbraw/zinc/38/53/91/400385391.db2.gz PUQTWUXSNGXAOW-HNNXBMFYSA-N 0 0 319.449 3.141 10 30 DGEERN C=CCn1c(S[C@@H](C(C)=O)C(C)C)nnc1-c1ccncc1 ZINC000578191682 400326870 /nfs/dbraw/zinc/32/68/70/400326870.db2.gz BTMDTQZKEGCJJE-CQSZACIVSA-N 0 0 316.430 3.232 10 30 DGEERN CC(=O)c1ccccc1OCCSCc1ccnc(C#N)c1 ZINC000610954089 400328227 /nfs/dbraw/zinc/32/82/27/400328227.db2.gz FWVSIKDOFQSUGE-UHFFFAOYSA-N 0 0 312.394 3.468 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@]1(C)CCCc2ccccc21 ZINC000578742976 400331537 /nfs/dbraw/zinc/33/15/37/400331537.db2.gz RMGBVCOIXCSSKM-VDZJLULYSA-N 0 0 314.429 3.128 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578948317 400333652 /nfs/dbraw/zinc/33/36/52/400333652.db2.gz IKNCRVRJDPEIPG-MLGOLLRUSA-N 0 0 303.362 3.143 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@@H](C)C[C@H]1C ZINC000579591775 400340934 /nfs/dbraw/zinc/34/09/34/400340934.db2.gz NZGJIRJTEBCBJQ-WDEREUQCSA-N 0 0 303.435 3.131 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(=O)OC ZINC000601772223 400347113 /nfs/dbraw/zinc/34/71/13/400347113.db2.gz ODIPTJPHVAOJPE-MRXNPFEDSA-N 0 0 314.385 3.022 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)OC ZINC000601781692 400347882 /nfs/dbraw/zinc/34/78/82/400347882.db2.gz JXMQJEQRGYEYLV-CYBMUJFWSA-N 0 0 313.756 3.025 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000601781509 400348055 /nfs/dbraw/zinc/34/80/55/400348055.db2.gz IICZCUXMRFVXIE-UWVGGRQHSA-N 0 0 315.822 3.129 10 30 DGEERN C=C(C)C[C@@H](NC(=O)CC/C=C/c1ccccc1)C(=O)OC ZINC000601781551 400348066 /nfs/dbraw/zinc/34/80/66/400348066.db2.gz JAKWKXGQFXWHJS-AYAUWGRQSA-N 0 0 301.386 3.104 10 30 DGEERN C=C(C)C[C@H](NC(=O)C/C=C/c1ccc(C)cc1)C(=O)OC ZINC000601781590 400348480 /nfs/dbraw/zinc/34/84/80/400348480.db2.gz JHLPWWPKCASHET-JFDDCEBESA-N 0 0 301.386 3.022 10 30 DGEERN C=CCCCCCNC(=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000581020173 400349215 /nfs/dbraw/zinc/34/92/15/400349215.db2.gz GTKDEDXLVDGOKK-IBGZPJMESA-N 0 0 316.445 3.078 10 30 DGEERN C=C(C)C[C@@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)OC ZINC000601783559 400349070 /nfs/dbraw/zinc/34/90/70/400349070.db2.gz XTUBJFOILRLNRR-GOEBONIOSA-N 0 0 303.402 3.113 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)[nH]c1C1CC1)C(=O)OC ZINC000601787277 400349562 /nfs/dbraw/zinc/34/95/62/400349562.db2.gz HQTNGDHYTNQLJS-OAHLLOKOSA-N 0 0 316.401 3.007 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000581259921 400351981 /nfs/dbraw/zinc/35/19/81/400351981.db2.gz WEPOASUHXIWMCD-OAQYLSRUSA-N 0 0 312.410 3.431 10 30 DGEERN N#Cc1cc(COc2ccc(F)cc2Br)ccn1 ZINC000070078907 400352501 /nfs/dbraw/zinc/35/25/01/400352501.db2.gz SJTQUAQTTJLAHS-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601872977 400368552 /nfs/dbraw/zinc/36/85/52/400368552.db2.gz BVAJPTLFXUDQSS-RBSFLKMASA-N 0 0 301.438 3.496 10 30 DGEERN N#Cc1ccc(CNC(=O)NCCCc2cccs2)c(F)c1 ZINC000611279337 400372359 /nfs/dbraw/zinc/37/23/59/400372359.db2.gz FTZRUAPYRBFLIC-UHFFFAOYSA-N 0 0 317.389 3.191 10 30 DGEERN N#Cc1ccc(SCC(=O)NC/C=C/c2ccccc2)cc1 ZINC000112584481 400374347 /nfs/dbraw/zinc/37/43/47/400374347.db2.gz LEFGBSRRUZAQPP-QPJJXVBHSA-N 0 0 308.406 3.480 10 30 DGEERN N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 ZINC000039859767 400398703 /nfs/dbraw/zinc/39/87/03/400398703.db2.gz POQSMNBVCMTXPZ-IBGZPJMESA-N 0 0 308.381 3.162 10 30 DGEERN C=CCN(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)[C@H](C)COC ZINC000617584417 400418958 /nfs/dbraw/zinc/41/89/58/400418958.db2.gz BOQXGCOHCDELFV-WBMJQRKESA-N 0 0 323.820 3.351 10 30 DGEERN C=CCOCCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000611541487 400419017 /nfs/dbraw/zinc/41/90/17/400419017.db2.gz JGLQELODSZQCBS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/44/79/75/400447975.db2.gz QISCLNUSNYNXLF-IUCAKERBSA-N 0 0 319.207 3.474 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000602381216 400449239 /nfs/dbraw/zinc/44/92/39/400449239.db2.gz GAOQQGUENTVIPS-LLVKDONJSA-N 0 0 315.329 3.063 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC000617785175 400454063 /nfs/dbraw/zinc/45/40/63/400454063.db2.gz FLCHOFSCGHJOGJ-GFCCVEGCSA-N 0 0 314.414 3.028 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)COc2ccc(C(=O)CC)cc2)C1 ZINC000617789502 400455844 /nfs/dbraw/zinc/45/58/44/400455844.db2.gz LAHZYRXDUBWHQH-OAHLLOKOSA-N 0 0 315.413 3.473 10 30 DGEERN CC(C)[C@H](NC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F ZINC000591350028 400513685 /nfs/dbraw/zinc/51/36/85/400513685.db2.gz XMWGUPSIPVESMZ-LBPRGKRZSA-N 0 0 317.286 3.083 10 30 DGEERN CCCCCCCC[C@@H]([C@@H](C)O)n1cnc2c1ncnc2N ZINC000043379698 400465835 /nfs/dbraw/zinc/46/58/35/400465835.db2.gz MFFHYWGQFAGVAQ-OLZOCXBDSA-N 0 0 305.426 3.081 10 30 DGEERN C[C@@H](CC(=O)NC(C)(C)C#N)c1ccc(Br)cc1 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307.434 3.169 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000618823171 400695184 /nfs/dbraw/zinc/69/51/84/400695184.db2.gz WJHQLUYNCZZRBD-ZFWWWQNUSA-N 0 0 319.355 3.423 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCc1cscn1 ZINC000051310188 400699349 /nfs/dbraw/zinc/69/93/49/400699349.db2.gz HHIOWFAVCZBUHY-UHFFFAOYSA-N 0 0 301.415 3.083 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@]1(C(=O)OCC)CCc2ccccc21 ZINC000613400740 400710147 /nfs/dbraw/zinc/71/01/47/400710147.db2.gz ZGNUBGNZINSCAF-LIRRHRJNSA-N 0 0 315.413 3.110 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1 ZINC000613399237 400710153 /nfs/dbraw/zinc/71/01/53/400710153.db2.gz BFHYBBRFTRZPOQ-CJNGLKHVSA-N 0 0 319.401 3.018 10 30 DGEERN CC(C)(C)c1ccc(C#N)c(NC[C@H](CO)c2ccccc2)n1 ZINC000613426769 400717557 /nfs/dbraw/zinc/71/75/57/400717557.db2.gz JURDUBATQRMLDP-MRXNPFEDSA-N 0 0 309.413 3.439 10 30 DGEERN C=CCOCCCC(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000619099895 400766413 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C=CCC(CC=C)C(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC000634294816 401255511 /nfs/dbraw/zinc/25/55/11/401255511.db2.gz OZLRODGBOZOUQN-SFHVURJKSA-N 0 0 305.393 3.004 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000634580196 401315398 /nfs/dbraw/zinc/31/53/98/401315398.db2.gz AOSLWFSKRZRTBX-XJKSGUPXSA-N 0 0 308.372 3.015 10 30 DGEERN C=C1CC(C)(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC000630742183 401320130 /nfs/dbraw/zinc/32/01/30/401320130.db2.gz ITRTXNIHKUWKLW-UHFFFAOYSA-N 0 0 307.397 3.113 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000626242170 401328813 /nfs/dbraw/zinc/32/88/13/401328813.db2.gz RSQZKTYDQDXDTQ-CYBMUJFWSA-N 0 0 313.401 3.009 10 30 DGEERN C=C1CC(C)(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC000630825034 401336556 /nfs/dbraw/zinc/33/65/56/401336556.db2.gz CHUGFEDECXIWLE-UHFFFAOYSA-N 0 0 313.376 3.292 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCCOC)C1 ZINC000626301710 401337301 /nfs/dbraw/zinc/33/73/01/401337301.db2.gz SKYJPNRRZREOFU-HNNXBMFYSA-N 0 0 318.417 3.450 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000626310735 401338327 /nfs/dbraw/zinc/33/83/27/401338327.db2.gz XKXDLWLGJCRWCP-UHFFFAOYSA-N 0 0 317.433 3.247 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(C)=O)cc2)C1 ZINC000626335499 401342519 /nfs/dbraw/zinc/34/25/19/401342519.db2.gz WQAUTALUUNZLAZ-CQSZACIVSA-N 0 0 301.390 3.099 10 30 DGEERN COc1ccc(/C=C/C(=O)c2ccc(OC[C@H]3CO3)cc2)cc1 ZINC000066251727 401297657 /nfs/dbraw/zinc/29/76/57/401297657.db2.gz XLPRGKCOGCXGTQ-BIPIYRQYSA-N 0 0 310.349 3.369 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000066305831 401301528 /nfs/dbraw/zinc/30/15/28/401301528.db2.gz VCDRSADHFHRYSI-LLVKDONJSA-N 0 0 317.307 3.039 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C1 ZINC000626417954 401354918 /nfs/dbraw/zinc/35/49/18/401354918.db2.gz PRSFSLOMOYNURP-CQSZACIVSA-N 0 0 301.390 3.099 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)C1 ZINC000630937379 401357029 /nfs/dbraw/zinc/35/70/29/401357029.db2.gz 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/nfs/dbraw/zinc/36/49/80/401364980.db2.gz XDFDSBFNZUSUPW-GJZGRUSLSA-N 0 0 302.349 3.090 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N([C@@H]2CCCc3c(F)cccc32)C1=O ZINC000630985538 401365040 /nfs/dbraw/zinc/36/50/40/401365040.db2.gz XDFDSBFNZUSUPW-HUUCEWRRSA-N 0 0 302.349 3.090 10 30 DGEERN C=CCCCCNC(=O)Cc1ccc(OC)c(OC(F)F)c1 ZINC000626490658 401365804 /nfs/dbraw/zinc/36/58/04/401365804.db2.gz VXFXLTLQTSRGSL-UHFFFAOYSA-N 0 0 313.344 3.312 10 30 DGEERN C=CCn1c(SCC(=O)CCCC)nc2ccccc2c1=O ZINC000631002221 401367314 /nfs/dbraw/zinc/36/73/14/401367314.db2.gz SAUFUCHQTRSRAW-UHFFFAOYSA-N 0 0 316.426 3.434 10 30 DGEERN C=CCC1(C(=O)N2CC(Cc3ccsc3)C2)CCOCC1 ZINC000622253761 401370786 /nfs/dbraw/zinc/37/07/86/401370786.db2.gz RXDGDCWOIHNTAG-UHFFFAOYSA-N 0 0 305.443 3.122 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCO[C@@H](CCF)C1 ZINC000626555231 401373814 /nfs/dbraw/zinc/37/38/14/401373814.db2.gz QAEJGVYWMKCXQT-HNNXBMFYSA-N 0 0 306.381 3.398 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2sccc2[C@H]1CC ZINC000622781648 401415362 /nfs/dbraw/zinc/41/53/62/401415362.db2.gz AXYRTPGOYWOTNG-HUUCEWRRSA-N 0 0 320.458 3.055 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2nc(-c3ccccn3)cs2)C1 ZINC000631154902 401410696 /nfs/dbraw/zinc/41/06/96/401410696.db2.gz JVSQVPFAHULJDB-UHFFFAOYSA-N 0 0 313.426 3.220 10 30 DGEERN C=C[C@H](C)NC(=O)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000635084655 401410698 /nfs/dbraw/zinc/41/06/98/401410698.db2.gz LRSBAQZUPKFSEN-NSHDSACASA-N 0 0 321.446 3.210 10 30 DGEERN C=C(C)CNC(=O)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000635109233 401412191 /nfs/dbraw/zinc/41/21/91/401412191.db2.gz ZMGDYVLHQUMVSB-UHFFFAOYSA-N 0 0 321.446 3.212 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000626392169 401351465 /nfs/dbraw/zinc/35/14/65/401351465.db2.gz BVLQFQMFMXMUIM-UHFFFAOYSA-N 0 0 304.316 3.169 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000631483994 401478948 /nfs/dbraw/zinc/47/89/48/401478948.db2.gz MBMZUKGXMBMCIS-UHFFFAOYSA-N 0 0 324.446 3.204 10 30 DGEERN C=CCOCCCNC(=O)Nc1cc(Cl)cc(C)c1OC ZINC000626823407 401419666 /nfs/dbraw/zinc/41/96/66/401419666.db2.gz FRFLXMKVIQDQLH-UHFFFAOYSA-N 0 0 312.797 3.371 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC000626832543 401421127 /nfs/dbraw/zinc/42/11/27/401421127.db2.gz XCOQGGQVYBPZGN-GXTWGEPZSA-N 0 0 302.399 3.007 10 30 DGEERN C=CCN(C(=O)c1c(OC)cccc1OC(F)(F)F)C1CC1 ZINC000622837354 401426341 /nfs/dbraw/zinc/42/63/41/401426341.db2.gz KNJYKCOYQJHXNU-UHFFFAOYSA-N 0 0 315.291 3.384 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C)cc1F ZINC000635261305 401426589 /nfs/dbraw/zinc/42/65/89/401426589.db2.gz WYTJJQOAIUEXEK-UHFFFAOYSA-N 0 0 306.381 3.181 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(OC)c1C ZINC000635262354 401426741 /nfs/dbraw/zinc/42/67/41/401426741.db2.gz WQRJNZASXUVEPV-UHFFFAOYSA-N 0 0 318.417 3.051 10 30 DGEERN C=CCN(C(=O)c1cccc(C(=O)NC2CC2)c1)C(C)(C)C ZINC000622945016 401441717 /nfs/dbraw/zinc/44/17/17/401441717.db2.gz OXXQQTOPKSTOIJ-UHFFFAOYSA-N 0 0 300.402 3.006 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2nc3ccccc3s2)C1 ZINC000623360710 401500739 /nfs/dbraw/zinc/50/07/39/401500739.db2.gz WRFSYRXIIQYJMY-LBPRGKRZSA-N 0 0 301.415 3.404 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cncn2)c1 ZINC000628037493 401514908 /nfs/dbraw/zinc/51/49/08/401514908.db2.gz AUERVJVMVGSORP-AEFFLSMTSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cccc(OCCOC)c1 ZINC000623434109 401516471 /nfs/dbraw/zinc/51/64/71/401516471.db2.gz GLEMTDIMYAZSJH-UHFFFAOYSA-N 0 0 320.433 3.113 10 30 DGEERN C=CCN(C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)[C@@H](C)COC ZINC000628055142 401517824 /nfs/dbraw/zinc/51/78/24/401517824.db2.gz SSEQHYMJBOBMHZ-RGXXSHLXSA-N 0 0 319.832 3.275 10 30 DGEERN C=C1CC(C)(C(=O)NCc2nccn2CCCc2ccccc2)C1 ZINC000631679627 401532700 /nfs/dbraw/zinc/53/27/00/401532700.db2.gz ILERYLUUUHJPQO-UHFFFAOYSA-N 0 0 323.440 3.488 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(SC)ccc1C ZINC000627686629 401484403 /nfs/dbraw/zinc/48/44/03/401484403.db2.gz VEVOGOKGJBHXBG-UHFFFAOYSA-N 0 0 320.458 3.374 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)Oc2ccccc2F)C1 ZINC000623674133 401566857 /nfs/dbraw/zinc/56/68/57/401566857.db2.gz RFLURLJRTPXYIU-UONOGXRCSA-N 0 0 306.381 3.201 10 30 DGEERN C=CCCn1cc(CNc2cccc(C3CCOCC3)c2)nn1 ZINC000623715357 401570816 /nfs/dbraw/zinc/57/08/16/401570816.db2.gz FBPGCNZLHPXVCC-UHFFFAOYSA-N 0 0 312.417 3.360 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@H](CCF)C2)cc1Cl ZINC000628458134 401599708 /nfs/dbraw/zinc/59/97/08/401599708.db2.gz DZYALAPSKTUUGY-CQSZACIVSA-N 0 0 313.800 3.465 10 30 DGEERN C=C(C)COc1cc(CN2CCO[C@H](CCF)C2)ccc1OC ZINC000628457640 401599719 /nfs/dbraw/zinc/59/97/19/401599719.db2.gz HJCACBDUZSGEMR-MRXNPFEDSA-N 0 0 323.408 3.211 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000628311876 401573999 /nfs/dbraw/zinc/57/39/99/401573999.db2.gz DVSTUONOPKLBHR-VXGBXAGGSA-N 0 0 307.356 3.453 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cc(C)n(-c2cnccn2)c1C ZINC000628311767 401574149 /nfs/dbraw/zinc/57/41/49/401574149.db2.gz ZACXFSPJTRLFEZ-UHFFFAOYSA-N 0 0 312.417 3.216 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000628314317 401574363 /nfs/dbraw/zinc/57/43/63/401574363.db2.gz VUCMVPXYQZZBCU-UHFFFAOYSA-N 0 0 314.433 3.359 10 30 DGEERN C=CC(C)(C)CCNC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000628317071 401574984 /nfs/dbraw/zinc/57/49/84/401574984.db2.gz VEDUKKGINXAJTM-AWEZNQCLSA-N 0 0 308.466 3.180 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000628317093 401574993 /nfs/dbraw/zinc/57/49/93/401574993.db2.gz VOYGXZPJVHPQSO-UHFFFAOYSA-N 0 0 312.417 3.216 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000628317027 401575102 /nfs/dbraw/zinc/57/51/02/401575102.db2.gz SURYLWCMSKGMPA-UHFFFAOYSA-N 0 0 315.417 3.303 10 30 DGEERN C=CCC1(C(=O)NC[C@H](n2cccn2)C(F)(F)F)CCCC1 ZINC000628329555 401577207 /nfs/dbraw/zinc/57/72/07/401577207.db2.gz VVYJITUAYVHTGG-LBPRGKRZSA-N 0 0 315.339 3.239 10 30 DGEERN C=CCOCC(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000628335889 401577613 /nfs/dbraw/zinc/57/76/13/401577613.db2.gz VROZPGRICLQIGD-HWKANZROSA-N 0 0 324.218 3.171 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000623802875 401581377 /nfs/dbraw/zinc/58/13/77/401581377.db2.gz YTWVBGGOTJGQKJ-RBSFLKMASA-N 0 0 306.450 3.236 10 30 DGEERN C=CCCOCCNC(=O)c1scc(Br)c1C ZINC000632129143 401581582 /nfs/dbraw/zinc/58/15/82/401581582.db2.gz FOSSTOLXKWLLLL-UHFFFAOYSA-N 0 0 318.236 3.142 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cn(CCCC)nc1C ZINC000623847688 401587088 /nfs/dbraw/zinc/58/70/88/401587088.db2.gz VDLWEALAAWJZOX-UHFFFAOYSA-N 0 0 306.454 3.393 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(OC(C)(C)C)nc2)C1 ZINC000623865951 401590258 /nfs/dbraw/zinc/59/02/58/401590258.db2.gz GTFUELFSXZSZIO-CQSZACIVSA-N 0 0 317.433 3.367 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)c1nc(-c2coc(C3CCC3)n2)no1 ZINC000632240093 401593149 /nfs/dbraw/zinc/59/31/49/401593149.db2.gz LZAWVFWMBZDZAE-LBPRGKRZSA-N 0 0 316.361 3.136 10 30 DGEERN C=C(C)CNC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000623908764 401597746 /nfs/dbraw/zinc/59/77/46/401597746.db2.gz PEWSOODGTFMCJJ-UHFFFAOYSA-N 0 0 309.772 3.378 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000623590189 401551917 /nfs/dbraw/zinc/55/19/17/401551917.db2.gz HQYHZFQHUHVRJZ-HUUCEWRRSA-N 0 0 300.402 3.160 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(OC)c(OCC)c2)C1 ZINC000623612745 401556634 /nfs/dbraw/zinc/55/66/34/401556634.db2.gz IYMJMBYMCGNWJY-CQSZACIVSA-N 0 0 318.417 3.202 10 30 DGEERN C=C(C)COCCNC(=O)Cc1coc2c1ccc(OC)c2C ZINC000631820251 401559231 /nfs/dbraw/zinc/55/92/31/401559231.db2.gz PPKAUKWKUOWLAY-UHFFFAOYSA-N 0 0 317.385 3.001 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000632780056 401625760 /nfs/dbraw/zinc/62/57/60/401625760.db2.gz GABHIYXWDZXAPE-LBPRGKRZSA-N 0 0 314.385 3.366 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000632810492 401627858 /nfs/dbraw/zinc/62/78/58/401627858.db2.gz JDROMIWDXTWDPV-JTQLQIEISA-N 0 0 309.207 3.378 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cccc(N(C)C(=O)NCC)c2)C1 ZINC000632813343 401628397 /nfs/dbraw/zinc/62/83/97/401628397.db2.gz ASNWEYMVOHTQOW-UHFFFAOYSA-N 0 0 301.390 3.147 10 30 DGEERN C=CCC1(C(=O)NCC(C)(C)c2ccc(C)cn2)CCOCC1 ZINC000628716605 401630984 /nfs/dbraw/zinc/63/09/84/401630984.db2.gz QJBNOXRMXZBKRS-UHFFFAOYSA-N 0 0 316.445 3.157 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1c(C)nn(COCC)c1C ZINC000632849772 401631957 /nfs/dbraw/zinc/63/19/57/401631957.db2.gz QFKWBQOXYVMYQU-XJKSGUPXSA-N 0 0 321.465 3.143 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000624218823 401640428 /nfs/dbraw/zinc/64/04/28/401640428.db2.gz CGFDKHWJSBEMJU-ZBFHGGJFSA-N 0 0 317.408 3.012 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2c(Cl)cccc2OC)C1 ZINC000623933958 401601440 /nfs/dbraw/zinc/60/14/40/401601440.db2.gz YERKDJGVRLQIBM-LBPRGKRZSA-N 0 0 308.809 3.456 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1ccsc1COC ZINC000632337583 401601709 /nfs/dbraw/zinc/60/17/09/401601709.db2.gz QSQIWJZDWPZMSA-UHFFFAOYSA-N 0 0 305.399 3.358 10 30 DGEERN C=CCC1(CNS(=O)(=O)C[C@H]2CCC2(F)F)CCCC1 ZINC000632419077 401606172 /nfs/dbraw/zinc/60/61/72/401606172.db2.gz VYCNTZMOXLSMBB-GFCCVEGCSA-N 0 0 307.406 3.088 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000628487645 401606649 /nfs/dbraw/zinc/60/66/49/401606649.db2.gz JKGKAAXGFAPURY-NSHDSACASA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000628486454 401606802 /nfs/dbraw/zinc/60/68/02/401606802.db2.gz IXLAWXDLJXAGAW-CQSZACIVSA-N 0 0 301.386 3.083 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cn(CCOC)c3ccccc23)C1 ZINC000628487190 401606812 /nfs/dbraw/zinc/60/68/12/401606812.db2.gz ZNGFSZKTMISXSK-OAHLLOKOSA-N 0 0 312.413 3.326 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000628487995 401607200 /nfs/dbraw/zinc/60/72/00/401607200.db2.gz PKTGYTPCHQYRTQ-LBPRGKRZSA-N 0 0 302.399 3.370 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)C1 ZINC000628488842 401607279 /nfs/dbraw/zinc/60/72/79/401607279.db2.gz JXWGPNVRRCKBHG-LBPRGKRZSA-N 0 0 306.793 3.337 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000628489164 401607308 /nfs/dbraw/zinc/60/73/08/401607308.db2.gz QJSCTGVRIWGVQO-ZDUSSCGKSA-N 0 0 311.385 3.124 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1 ZINC000628489467 401607352 /nfs/dbraw/zinc/60/73/52/401607352.db2.gz WZCULGMIOGZDIL-CYBMUJFWSA-N 0 0 322.412 3.387 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)C1 ZINC000628494785 401608104 /nfs/dbraw/zinc/60/81/04/401608104.db2.gz YXPLLKQBXJAZTN-IAGOWNOFSA-N 0 0 316.445 3.495 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)C(F)(F)CC ZINC000623985776 401609174 /nfs/dbraw/zinc/60/91/74/401609174.db2.gz BQXZIHJWXXLSLR-STQMWFEESA-N 0 0 318.408 3.338 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000633039304 401646817 /nfs/dbraw/zinc/64/68/17/401646817.db2.gz RYJDDSWHMASEJD-ZMSDIMECSA-N 0 0 319.449 3.182 10 30 DGEERN C=CCCCCNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000632520290 401612430 /nfs/dbraw/zinc/61/24/30/401612430.db2.gz JQIDBQHBWPKJQN-UHFFFAOYSA-N 0 0 317.355 3.418 10 30 DGEERN C=CCN(C)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000632570840 401615227 /nfs/dbraw/zinc/61/52/27/401615227.db2.gz ZVUVQPOGYFLETO-ZFWWWQNUSA-N 0 0 308.219 3.371 10 30 DGEERN C=CCCN(C)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000632703023 401620335 /nfs/dbraw/zinc/62/03/35/401620335.db2.gz LSVMHERSVHIGEF-RRFJBIMHSA-N 0 0 320.230 3.369 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)C1CCCCC1 ZINC000628981471 401652800 /nfs/dbraw/zinc/65/28/00/401652800.db2.gz PBGGDWDKYYNPGD-PBHICJAKSA-N 0 0 308.466 3.132 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1 ZINC000633077431 401649185 /nfs/dbraw/zinc/64/91/85/401649185.db2.gz VSEUKCBTSXPKCA-UHFFFAOYSA-N 0 0 317.364 3.040 10 30 DGEERN C=CCCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000624345262 401654488 /nfs/dbraw/zinc/65/44/88/401654488.db2.gz AGTKSJFQSIMYHJ-UHFFFAOYSA-N 0 0 319.149 3.103 10 30 DGEERN C=CCOCCCC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628984746 401653700 /nfs/dbraw/zinc/65/37/00/401653700.db2.gz OBONDVLIBIFNHP-XOKHGSTOSA-N 0 0 305.805 3.077 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1 ZINC000624439119 401660189 /nfs/dbraw/zinc/66/01/89/401660189.db2.gz DGIREPSVMCJNTK-SNVBAGLBSA-N 0 0 314.307 3.129 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1csc(C)c1C ZINC000633208283 401660584 /nfs/dbraw/zinc/66/05/84/401660584.db2.gz YDRLRYGWSXDNCK-ZFWWWQNUSA-N 0 0 308.447 3.145 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCC[C@H]1CCCOC1 ZINC000624448629 401661400 /nfs/dbraw/zinc/66/14/00/401661400.db2.gz GQMPVNHEQBPYBK-GOSISDBHSA-N 0 0 316.445 3.243 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629145573 401668570 /nfs/dbraw/zinc/66/85/70/401668570.db2.gz PGPBKGNBQYRIHP-DZGCQCFKSA-N 0 0 303.427 3.262 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCn2nccc21 ZINC000633311640 401671907 /nfs/dbraw/zinc/67/19/07/401671907.db2.gz NLIIEFJBYJIQNS-IAGOWNOFSA-N 0 0 324.428 3.205 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000633357622 401675818 /nfs/dbraw/zinc/67/58/18/401675818.db2.gz QNLTYWAYRCFVHN-ZWKOTPCHSA-N 0 0 316.445 3.189 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000172062625 164647357 /nfs/dbraw/zinc/64/73/57/164647357.db2.gz XZHHGZMXEYKDFK-KZULUSFZSA-N 0 0 322.364 3.460 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000173910560 164710102 /nfs/dbraw/zinc/71/01/02/164710102.db2.gz ZGRHMGCTDOEAEX-CQSZACIVSA-N 0 0 316.364 3.235 10 30 DGEERN N#Cc1nccn1Cc1cc(Br)cc2cccnc21 ZINC000179887768 164868288 /nfs/dbraw/zinc/86/82/88/164868288.db2.gz DJMQHLKGOCYQPU-UHFFFAOYSA-N 0 0 313.158 3.114 10 30 DGEERN CCOc1ccc(NC(=O)c2cc(C#N)cn2C)c2ncccc12 ZINC000185475740 165005874 /nfs/dbraw/zinc/00/58/74/165005874.db2.gz XIZGWQXXVPPOIT-UHFFFAOYSA-N 0 0 320.352 3.096 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2ccc(Cl)s2)cn1 ZINC000185842675 165018771 /nfs/dbraw/zinc/01/87/71/165018771.db2.gz RSUMXCPHJYYWCR-UHFFFAOYSA-N 0 0 315.789 3.466 10 30 DGEERN Cc1ccc(CNc2cnn(-c3ncccc3C#N)c2)cc1C ZINC000185844432 165019194 /nfs/dbraw/zinc/01/91/94/165019194.db2.gz JTJCMVRGIMYHQJ-UHFFFAOYSA-N 0 0 303.369 3.368 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc(F)c1 ZINC000186003929 165024007 /nfs/dbraw/zinc/02/40/07/165024007.db2.gz SPVZMSXPEIKVQN-LBPRGKRZSA-N 0 0 307.332 3.451 10 30 DGEERN Cc1nnc(NCc2ncc(-c3ccccc3)cn2)c(C#N)c1C ZINC000186007448 165024515 /nfs/dbraw/zinc/02/45/15/165024515.db2.gz VTWFAXRFFJRBKJ-UHFFFAOYSA-N 0 0 316.368 3.034 10 30 DGEERN CC(C)n1cc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cn1 ZINC000186017964 165025325 /nfs/dbraw/zinc/02/53/25/165025325.db2.gz WTLOMPOMHBORFG-CYBMUJFWSA-N 0 0 321.388 3.089 10 30 DGEERN CCc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)o1 ZINC000186025237 165025461 /nfs/dbraw/zinc/02/54/61/165025461.db2.gz XFRAYESCDFDYCQ-GFCCVEGCSA-N 0 0 307.357 3.467 10 30 DGEERN C[C@@H](CSC(C)(C)C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186009090 165025467 /nfs/dbraw/zinc/02/54/67/165025467.db2.gz KROAKVIQOHMYKY-LBPRGKRZSA-N 0 0 315.446 3.471 10 30 DGEERN N#Cc1ccsc1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000186266193 165035054 /nfs/dbraw/zinc/03/50/54/165035054.db2.gz RLBGCOMGYPCCCM-UHFFFAOYSA-N 0 0 322.393 3.234 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)c2sccc2C#N)cs1 ZINC000187135396 165078682 /nfs/dbraw/zinc/07/86/82/165078682.db2.gz DPVGZZKEKJNYPO-LBPRGKRZSA-N 0 0 303.412 3.362 10 30 DGEERN Cc1ccc(C(=O)N(C)C)cc1OCc1ccc(C#N)c(F)c1 ZINC000190034244 165186171 /nfs/dbraw/zinc/18/61/71/165186171.db2.gz KCCIWEBTCPNRPO-UHFFFAOYSA-N 0 0 312.344 3.287 10 30 DGEERN C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)c2ccccc2S1 ZINC000192487649 165292146 /nfs/dbraw/zinc/29/21/46/165292146.db2.gz FTCJDTOHRAJIMN-LBPRGKRZSA-N 0 0 309.394 3.484 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccn1 ZINC000192454205 165293212 /nfs/dbraw/zinc/29/32/12/165293212.db2.gz ZTNOWVMQUDQBED-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN N#Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)ccn1 ZINC000192725065 165303983 /nfs/dbraw/zinc/30/39/83/165303983.db2.gz AHMKQDLLFARNKQ-UHFFFAOYSA-N 0 0 323.371 3.334 10 30 DGEERN Cc1cccc(OC(F)F)c1NC(=O)c1ccnc(C#N)c1 ZINC000193052995 165315994 /nfs/dbraw/zinc/31/59/94/165315994.db2.gz NKKQHQHXIBBJCA-UHFFFAOYSA-N 0 0 303.268 3.115 10 30 DGEERN N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)ccn1 ZINC000193952529 165335285 /nfs/dbraw/zinc/33/52/85/165335285.db2.gz LHAGEZSMDXUBHT-AWEZNQCLSA-N 0 0 319.286 3.029 10 30 DGEERN Cc1ccc(-n2cc(NC(=O)c3ccnc(C#N)c3)cn2)c(C)c1 ZINC000194217873 165341528 /nfs/dbraw/zinc/34/15/28/165341528.db2.gz KNNMNRQQCYYDPA-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN N#Cc1ccc(NC(=O)N[C@@H]2COc3ccccc32)cc1Cl ZINC000194718905 165354528 /nfs/dbraw/zinc/35/45/28/165354528.db2.gz KRSSLPMGLDRGCK-CQSZACIVSA-N 0 0 313.744 3.467 10 30 DGEERN N#Cc1ccc(CSCC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000194878286 165356797 /nfs/dbraw/zinc/35/67/97/165356797.db2.gz BPYPOQKEXZEYGI-INIZCTEOSA-N 0 0 324.405 3.041 10 30 DGEERN N#Cc1ccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)c(F)c1 ZINC000195338336 165367183 /nfs/dbraw/zinc/36/71/83/165367183.db2.gz VMIVEPRUSCLZOT-UHFFFAOYSA-N 0 0 323.302 3.108 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3ccc(C#N)cc3F)CCO2)n1 ZINC000195388112 165369458 /nfs/dbraw/zinc/36/94/58/165369458.db2.gz CZPXZHRALPNEOI-HNNXBMFYSA-N 0 0 317.389 3.036 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171613989 432151503 /nfs/dbraw/zinc/15/15/03/432151503.db2.gz QYPOJNZVUFODPI-UHFFFAOYSA-N 0 0 311.410 3.110 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)C[C@H](C)O1 ZINC000246763730 432163044 /nfs/dbraw/zinc/16/30/44/432163044.db2.gz PPZUXOMTYJGLIS-NWJSVONSSA-N 0 0 306.793 3.224 10 30 DGEERN N#C[C@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)C1CC1 ZINC000171722351 432165783 /nfs/dbraw/zinc/16/57/83/432165783.db2.gz SIVABESEMFIMFA-NSHDSACASA-N 0 0 319.336 3.120 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000190626741 432177160 /nfs/dbraw/zinc/17/71/60/432177160.db2.gz DOWLIWPWUDQQJF-UHFFFAOYSA-N 0 0 312.291 3.367 10 30 DGEERN COc1ccc(CSCc2nnc(C(C)C)n2C)cc1C#N ZINC000182360002 432182161 /nfs/dbraw/zinc/18/21/61/432182161.db2.gz REOZRAYVYOXGTR-UHFFFAOYSA-N 0 0 316.430 3.252 10 30 DGEERN CC(C)(C)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000172074731 432194762 /nfs/dbraw/zinc/19/47/62/432194762.db2.gz BRQBGXXUSPJBQX-UHFFFAOYSA-N 0 0 320.458 3.146 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000129854176 196080857 /nfs/dbraw/zinc/08/08/57/196080857.db2.gz VDVJPMLCJZSVSV-SUMWQHHRSA-N 0 0 306.365 3.161 10 30 DGEERN CCOC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000191018575 432212962 /nfs/dbraw/zinc/21/29/62/432212962.db2.gz CQWDDFAQYJIAIA-INIZCTEOSA-N 0 0 300.402 3.033 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000191014482 432213075 /nfs/dbraw/zinc/21/30/75/432213075.db2.gz MVLXTYHPWOBTJS-JTQLQIEISA-N 0 0 302.827 3.307 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)C(C)C ZINC000172453152 432215017 /nfs/dbraw/zinc/21/50/17/432215017.db2.gz UKITUWDJCGMRAU-AWEZNQCLSA-N 0 0 318.417 3.134 10 30 DGEERN C[C@@H]1CCC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000330212067 287370025 /nfs/dbraw/zinc/37/00/25/287370025.db2.gz DKHJQZYSIFWEKM-TZMCWYRMSA-N 0 0 303.406 3.028 10 30 DGEERN N#C[C@@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000108839799 226914169 /nfs/dbraw/zinc/91/41/69/226914169.db2.gz MZIRETMZMWGQDP-CYBMUJFWSA-N 0 0 313.184 3.181 10 30 DGEERN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C#N)C1CC1 ZINC000108831535 226914640 /nfs/dbraw/zinc/91/46/40/226914640.db2.gz XGLFJZICILLBSU-JTQLQIEISA-N 0 0 303.412 3.212 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O ZINC000118935483 226949166 /nfs/dbraw/zinc/94/91/66/226949166.db2.gz OKXATFXGCKKLQI-VDABSKGNSA-N 0 0 317.429 3.319 10 30 DGEERN Cc1cc(F)cc(NC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000152926611 227079577 /nfs/dbraw/zinc/07/95/77/227079577.db2.gz XHJZIDKPEWWOTM-UHFFFAOYSA-N 0 0 313.332 3.206 10 30 DGEERN C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1COc2ccccc21 ZINC000153207099 227081415 /nfs/dbraw/zinc/08/14/15/227081415.db2.gz RPUAKQLPVWZGGR-SUMWQHHRSA-N 0 0 321.380 3.439 10 30 DGEERN N#CCC[C@H](NC(=O)CCc1ccccc1O)c1ccccc1 ZINC000153214317 227082493 /nfs/dbraw/zinc/08/24/93/227082493.db2.gz JXRYADQFUWKSBZ-KRWDZBQOSA-N 0 0 308.381 3.486 10 30 DGEERN Cc1cc(C#N)ccc1-c1nc(CC(=O)Nc2ccccc2)no1 ZINC000160914417 228248918 /nfs/dbraw/zinc/24/89/18/228248918.db2.gz GDIKNPAVFKFOGL-UHFFFAOYSA-N 0 0 318.336 3.098 10 30 DGEERN C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCOCC1 ZINC000163014984 228260372 /nfs/dbraw/zinc/26/03/72/228260372.db2.gz XOWSPMLEQUEDGD-ZDUSSCGKSA-N 0 0 300.402 3.489 10 30 DGEERN C[C@H](CNC(=O)c1sccc1C#N)c1ccc(F)cc1F ZINC000174323657 228289205 /nfs/dbraw/zinc/28/92/05/228289205.db2.gz AKXLMZONQLUZGO-SECBINFHSA-N 0 0 306.337 3.431 10 30 DGEERN N#CCCCCNC(=O)c1c[nH]c2cccc(Br)c21 ZINC000179213463 228350364 /nfs/dbraw/zinc/35/03/64/228350364.db2.gz ZJHGMDWFLLAAMW-UHFFFAOYSA-N 0 0 320.190 3.354 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183973122 228378851 /nfs/dbraw/zinc/37/88/51/228378851.db2.gz XFDLBFJSLSUMTE-IERDGZPVSA-N 0 0 318.420 3.433 10 30 DGEERN C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000181884708 228365359 /nfs/dbraw/zinc/36/53/59/228365359.db2.gz LFVXXAGKEUSBTQ-FZMZJTMJSA-N 0 0 306.369 3.341 10 30 DGEERN COc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2nccn2C)cc1 ZINC000185881367 228399940 /nfs/dbraw/zinc/39/99/40/228399940.db2.gz PZSYSSUYHWACTH-ZVZYQTTQSA-N 0 0 324.428 3.190 10 30 DGEERN CCOc1cccc2[nH]cc(CC(=O)NC3(C#N)CCCC3)c21 ZINC000188029873 228447771 /nfs/dbraw/zinc/44/77/71/228447771.db2.gz NFHYIUFWHFQZIS-UHFFFAOYSA-N 0 0 311.385 3.062 10 30 DGEERN C[C@@H](CC#N)N(C)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194568642 228594219 /nfs/dbraw/zinc/59/42/19/228594219.db2.gz QDDWNZNFGDEQRT-VIFPVBQESA-N 0 0 302.708 3.229 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000246054440 228622092 /nfs/dbraw/zinc/62/20/92/228622092.db2.gz QKOOXLVLOCQZTM-YRGRVCCFSA-N 0 0 304.415 3.444 10 30 DGEERN C[C@H](CC(=O)N(C)[C@@H](C)C#N)c1ccc(Br)cc1 ZINC000297787573 228882688 /nfs/dbraw/zinc/88/26/88/228882688.db2.gz JHUAYJSHMIVENF-MNOVXSKESA-N 0 0 309.207 3.313 10 30 DGEERN C[C@H]1C[C@H](C(=O)Nc2ccc(-c3cncnc3)cn2)CCC1=O ZINC000328696907 228909787 /nfs/dbraw/zinc/90/97/87/228909787.db2.gz DKQGWXRZJALWQU-NWDGAFQWSA-N 0 0 310.357 3.132 10 30 DGEERN O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328728563 228910414 /nfs/dbraw/zinc/91/04/14/228910414.db2.gz DWHMORNKCVWRPI-ZNMIVQPWSA-N 0 0 313.401 3.088 10 30 DGEERN Cc1ncc(NC(=O)C[C@H](C)N2CCCCC2=O)c(C2CC2)n1 ZINC000328736288 228910739 /nfs/dbraw/zinc/91/07/39/228910739.db2.gz JONSAZVEEXBCGJ-NSHDSACASA-N 0 0 316.405 3.042 10 30 DGEERN COc1cnc(NC(=O)N2CCC[C@@H]2C2CCCCC2)nc1 ZINC000328801544 228915163 /nfs/dbraw/zinc/91/51/63/228915163.db2.gz AETIXJKUYFFRDF-CQSZACIVSA-N 0 0 304.394 3.075 10 30 DGEERN C[C@@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)[C@@H]2CCCC[C@H]21 ZINC000329607376 228951786 /nfs/dbraw/zinc/95/17/86/228951786.db2.gz IIGZTCLRRPQRQO-OSAQELSMSA-N 0 0 302.422 3.354 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)NCCC2CCOCC2)cs1 ZINC000330087931 228975319 /nfs/dbraw/zinc/97/53/19/228975319.db2.gz NQPXJNPZBPIPDD-OAHLLOKOSA-N 0 0 323.462 3.319 10 30 DGEERN N#Cc1cccc(N2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000301260080 229591257 /nfs/dbraw/zinc/59/12/57/229591257.db2.gz FVJIAUOBKYLJJZ-UHFFFAOYSA-N 0 0 318.424 3.232 10 30 DGEERN Cc1ccc(NC(=O)CCNc2ccc(Cl)cc2C#N)nc1 ZINC000301278982 229602697 /nfs/dbraw/zinc/60/26/97/229602697.db2.gz ZLWMNSWXFXMLHC-UHFFFAOYSA-N 0 0 314.776 3.356 10 30 DGEERN Cc1cc(C)n(Cc2cccc(CNc3cccc(C#N)n3)c2)n1 ZINC000301867682 229949387 /nfs/dbraw/zinc/94/93/87/229949387.db2.gz VWCHVVUPCMXWRI-UHFFFAOYSA-N 0 0 317.396 3.427 10 30 DGEERN Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(C#N)nn2)cc1 ZINC000301974341 230013905 /nfs/dbraw/zinc/01/39/05/230013905.db2.gz VKTROIGDYIDRID-GFCCVEGCSA-N 0 0 304.357 3.016 10 30 DGEERN Cc1nnc(NCc2nc3ccccc3n2C2CC2)c(C#N)c1C ZINC000302180088 230144187 /nfs/dbraw/zinc/14/41/87/230144187.db2.gz ZDNHRBRISGIVHB-UHFFFAOYSA-N 0 0 318.384 3.262 10 30 DGEERN Cc1ccc(NC[C@H](O)c2ccc(OC(C)C)cc2)nc1C#N ZINC000302591716 230311515 /nfs/dbraw/zinc/31/15/15/230311515.db2.gz AIMVEHZUKDDTOO-KRWDZBQOSA-N 0 0 311.385 3.194 10 30 DGEERN Cc1ccc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)nc1C#N ZINC000302636900 230325801 /nfs/dbraw/zinc/32/58/01/230325801.db2.gz KJYDUNHVPILQAD-CQSZACIVSA-N 0 0 321.302 3.426 10 30 DGEERN Cc1ccc(N2CCC(N(C)c3ccccc3)CC2)nc1C#N ZINC000302682916 230350176 /nfs/dbraw/zinc/35/01/76/230350176.db2.gz XMMIQOCAGNGAKC-UHFFFAOYSA-N 0 0 306.413 3.367 10 30 DGEERN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(C#N)cc1F ZINC000358566193 269882290 /nfs/dbraw/zinc/88/22/90/269882290.db2.gz BAEZOJFMAVMQAU-LBPRGKRZSA-N 0 0 324.359 3.400 10 30 DGEERN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(C#N)cn3)n[nH]2)c1 ZINC000107765998 269911920 /nfs/dbraw/zinc/91/19/20/269911920.db2.gz VKPPXIOUZFMEIE-UHFFFAOYSA-N 0 0 317.352 3.213 10 30 DGEERN CCOc1cc(C#N)ccc1OCCCC(=O)OC(C)(C)C ZINC000186510235 263658036 /nfs/dbraw/zinc/65/80/36/263658036.db2.gz WPVVGEFHECGQRQ-UHFFFAOYSA-N 0 0 305.374 3.458 10 30 DGEERN CCc1cc(C#N)c(NC(=O)c2cn3ccnc3s2)s1 ZINC000187850007 263682417 /nfs/dbraw/zinc/68/24/17/263682417.db2.gz CCADVARWXKCDMX-UHFFFAOYSA-N 0 0 302.384 3.144 10 30 DGEERN Cc1cc(F)ccc1CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188333526 263692588 /nfs/dbraw/zinc/69/25/88/263692588.db2.gz FXCXKPFZJHSQQD-UHFFFAOYSA-N 0 0 322.383 3.396 10 30 DGEERN CCN(C(=O)c1cn2ccnc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000188372419 263693771 /nfs/dbraw/zinc/69/37/71/263693771.db2.gz SLDWZRCFSUPKGT-LBPRGKRZSA-N 0 0 324.409 3.491 10 30 DGEERN Cc1cccc(Br)c1C(=O)Nc1cc(C#N)ccn1 ZINC000362115105 270004822 /nfs/dbraw/zinc/00/48/22/270004822.db2.gz BTRDFDVWSMGDCB-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CC(=O)Nc1ccc(NCc2nc(C#N)cs2)cc1Cl ZINC000352820011 265181958 /nfs/dbraw/zinc/18/19/58/265181958.db2.gz BYQMOZOZLISAFQ-UHFFFAOYSA-N 0 0 306.778 3.239 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)c1cccnc1 ZINC000174356027 265604347 /nfs/dbraw/zinc/60/43/47/265604347.db2.gz GLUABONECNSECD-OAHLLOKOSA-N 0 0 305.381 3.272 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C#N)cs1)CC2 ZINC000378265059 265677079 /nfs/dbraw/zinc/67/70/79/265677079.db2.gz UCVZYUMIPNCLMA-UHFFFAOYSA-N 0 0 324.405 3.063 10 30 DGEERN N#Cc1cccc(NC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000172704926 432229648 /nfs/dbraw/zinc/22/96/48/432229648.db2.gz PDCUPDIEOYCKHV-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C2CC2)C1 ZINC000371240432 265905715 /nfs/dbraw/zinc/90/57/15/265905715.db2.gz UPTBCEPUUWIIFQ-WMZOPIPTSA-N 0 0 312.413 3.220 10 30 DGEERN CC1(C)Oc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2O1 ZINC000530908398 266979387 /nfs/dbraw/zinc/97/93/87/266979387.db2.gz GGYYEHDAYGGAQO-UHFFFAOYSA-N 0 0 308.337 3.247 10 30 DGEERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2sccc2C#N)C1 ZINC000374159656 267030479 /nfs/dbraw/zinc/03/04/79/267030479.db2.gz LNESGMNTYULVFS-RZFFKMDDSA-N 0 0 318.442 3.021 10 30 DGEERN C[C@@H]1CCc2c(sc(=O)n2Cc2ccc(C#N)c(F)c2)C1 ZINC000190084220 267033786 /nfs/dbraw/zinc/03/37/86/267033786.db2.gz QPKVCRXPXWDRPB-SNVBAGLBSA-N 0 0 302.374 3.094 10 30 DGEERN CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(C#N)c2)C1(CC)CC ZINC000530683102 267149069 /nfs/dbraw/zinc/14/90/69/267149069.db2.gz FZZCSLWUSDZGQC-IAGOWNOFSA-N 0 0 314.429 3.201 10 30 DGEERN C[C@H](NCc1cn2ccsc2n1)c1ccc(C#N)cc1F ZINC000358552426 267185697 /nfs/dbraw/zinc/18/56/97/267185697.db2.gz FUMLZUZZEQKRKI-JTQLQIEISA-N 0 0 300.362 3.257 10 30 DGEERN CN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000531147078 267273435 /nfs/dbraw/zinc/27/34/35/267273435.db2.gz JSQYDMASAZUQND-LJQANCHMSA-N 0 0 304.393 3.117 10 30 DGEERN Cc1cc(S(=O)(=O)N2CC3(CC3)c3ccccc32)ccc1C#N ZINC000365498705 267354138 /nfs/dbraw/zinc/35/41/38/267354138.db2.gz RENYDSVCJGVSMV-UHFFFAOYSA-N 0 0 324.405 3.107 10 30 DGEERN N#Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)s1 ZINC000361890230 268048637 /nfs/dbraw/zinc/04/86/37/268048637.db2.gz DQNPFUCSBCDYGR-UHFFFAOYSA-N 0 0 308.366 3.018 10 30 DGEERN Cc1cccc(C)c1OC[C@@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000530908026 268050760 /nfs/dbraw/zinc/05/07/60/268050760.db2.gz QHSRBXBMEGECCF-MRXNPFEDSA-N 0 0 322.408 3.301 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000357423499 268296959 /nfs/dbraw/zinc/29/69/59/268296959.db2.gz FYTTXPNYIGICRS-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1ccsc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC000371190941 268302804 /nfs/dbraw/zinc/30/28/04/268302804.db2.gz QTZXLUBZJOXNPB-UHFFFAOYSA-N 0 0 304.415 3.089 10 30 DGEERN N#Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151444893 432246683 /nfs/dbraw/zinc/24/66/83/432246683.db2.gz PJOCTOIPJVUNQN-HOTGVXAUSA-N 0 0 321.332 3.039 10 30 DGEERN CC(C)n1ncc2cc(NC(=O)Cc3cccc(C#N)c3)cnc21 ZINC000530672272 269640332 /nfs/dbraw/zinc/64/03/32/269640332.db2.gz PENIILTUZJTQIJ-UHFFFAOYSA-N 0 0 319.368 3.065 10 30 DGEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151585225 432257696 /nfs/dbraw/zinc/25/76/96/432257696.db2.gz ORSIBQJFABDSDC-JKSUJKDBSA-N 0 0 320.348 3.072 10 30 DGEERN Cc1nc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c(C)s1 ZINC000178608423 274837111 /nfs/dbraw/zinc/83/71/11/274837111.db2.gz UIPLIVSQECUYGI-UHFFFAOYSA-N 0 0 323.381 3.070 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000448612884 274886159 /nfs/dbraw/zinc/88/61/59/274886159.db2.gz KVBNEQLOJIIZKJ-ZDUSSCGKSA-N 0 0 315.373 3.003 10 30 DGEERN C=CCOc1ccc(CNc2ccn([C@H](C)COC)n2)cc1 ZINC000495197467 429186821 /nfs/dbraw/zinc/18/68/21/429186821.db2.gz XWKIYSZVUNYRKR-CQSZACIVSA-N 0 0 301.390 3.267 10 30 DGEERN C=CCCCCCNC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000522011168 429576189 /nfs/dbraw/zinc/57/61/89/429576189.db2.gz IYFAMWZNSYHIBX-UHFFFAOYSA-N 0 0 320.422 3.105 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(c1snc(Cl)c1C#N)C2 ZINC000108952475 276066615 /nfs/dbraw/zinc/06/66/15/276066615.db2.gz DDETXIMMXLNILZ-UHFFFAOYSA-N 0 0 321.837 3.088 10 30 DGEERN C=CC(C)(C)CCNc1nn2c(nc(CCC)cc2=O)s1 ZINC000528073129 429845006 /nfs/dbraw/zinc/84/50/06/429845006.db2.gz GFUVLJSCHFONTI-UHFFFAOYSA-N 0 0 306.435 3.118 10 30 DGEERN C=C(C)[C@H](CC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C)OCC ZINC000339203153 276872585 /nfs/dbraw/zinc/87/25/85/276872585.db2.gz FVSDRJSFVFLQSI-SZMVWBNQSA-N 0 0 317.429 3.346 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000279094791 276874451 /nfs/dbraw/zinc/87/44/51/276874451.db2.gz WQGIECVEJKWQLE-DJIMGWMZSA-N 0 0 303.377 3.123 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000266503470 276889414 /nfs/dbraw/zinc/88/94/14/276889414.db2.gz AJFGYFWMOMRFJR-GDBMZVCRSA-N 0 0 309.331 3.467 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000425923546 276915428 /nfs/dbraw/zinc/91/54/28/276915428.db2.gz RYVBDBKOGFVSEG-LSDHHAIUSA-N 0 0 324.490 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000452911291 276920461 /nfs/dbraw/zinc/92/04/61/276920461.db2.gz APSKGRQNMPREMN-YUDUHTQSSA-N 0 0 323.795 3.432 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCCC1(C)C)C2 ZINC000329256154 277270534 /nfs/dbraw/zinc/27/05/34/277270534.db2.gz DNQOKJYXMGTJGZ-ZDUSSCGKSA-N 0 0 318.465 3.284 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@]2(C)CCCO2)n1CC(=C)C ZINC000453471208 277773838 /nfs/dbraw/zinc/77/38/38/277773838.db2.gz SVJSKOZNGMSTKR-KRWDZBQOSA-N 0 0 304.438 3.282 10 30 DGEERN C=CCn1c(N2CCCC[C@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453432512 277893704 /nfs/dbraw/zinc/89/37/04/277893704.db2.gz BWBMWKAMANDTDU-RHSMWYFYSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@H](C)C2CCC(F)CC2)s1 ZINC000622177954 430608995 /nfs/dbraw/zinc/60/89/95/430608995.db2.gz KNOGSNATGDKESR-VOMCLLRMSA-N 0 0 311.426 3.388 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000456132783 277916890 /nfs/dbraw/zinc/91/68/90/277916890.db2.gz SCDYAIZOJJDQPZ-YRGRVCCFSA-N 0 0 307.356 3.405 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(c1ncc(C#N)cc1Cl)C2 ZINC000108952551 278076088 /nfs/dbraw/zinc/07/60/88/278076088.db2.gz ZSFDUDYPMJOEAB-UHFFFAOYSA-N 0 0 315.808 3.026 10 30 DGEERN CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000467122842 279207275 /nfs/dbraw/zinc/20/72/75/279207275.db2.gz RQWAUBJGTNKNQR-CQSZACIVSA-N 0 0 324.421 3.287 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[C@H]1CCCO1 ZINC000068739074 431139360 /nfs/dbraw/zinc/13/93/60/431139360.db2.gz FMAYZXDXGUACNL-MRXNPFEDSA-N 0 0 318.373 3.069 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)n1C ZINC000068793198 431141649 /nfs/dbraw/zinc/14/16/49/431141649.db2.gz HVFISIOJDCHMKE-UHFFFAOYSA-N 0 0 313.357 3.070 10 30 DGEERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000108834637 431156187 /nfs/dbraw/zinc/15/61/87/431156187.db2.gz ULKIQVXXVIYRBG-AMIZOPFISA-N 0 0 313.184 3.179 10 30 DGEERN N#C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000108829836 431156533 /nfs/dbraw/zinc/15/65/33/431156533.db2.gz VGMDRSMBSYJUJP-GFCCVEGCSA-N 0 0 317.801 3.495 10 30 DGEERN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)C1CC1 ZINC000108840193 431157038 /nfs/dbraw/zinc/15/70/38/431157038.db2.gz OBYXPYYWMXGKNI-CYBMUJFWSA-N 0 0 315.373 3.290 10 30 DGEERN Cc1cc(O[C@H](C)C(=O)N[C@@H](C#N)C2CC2)ccc1C(C)C ZINC000108830900 431157612 /nfs/dbraw/zinc/15/76/12/431157612.db2.gz LLGRPGCNHGOFNG-DYVFJYSZSA-N 0 0 300.402 3.304 10 30 DGEERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000108827377 431158180 /nfs/dbraw/zinc/15/81/80/431158180.db2.gz SIMIFQZQPWLRDC-ISVAXAHUSA-N 0 0 313.184 3.179 10 30 DGEERN N#CCCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000111325656 431212294 /nfs/dbraw/zinc/21/22/94/431212294.db2.gz XWJCUEAPHGETQF-CQSZACIVSA-N 0 0 312.822 3.014 10 30 DGEERN C[C@H](NS(=O)(=O)CCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000111330480 431213412 /nfs/dbraw/zinc/21/34/12/431213412.db2.gz OQLPYXWOLLALPN-ZDUSSCGKSA-N 0 0 308.447 3.268 10 30 DGEERN Cc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)oc1C ZINC000071405640 431280467 /nfs/dbraw/zinc/28/04/67/431280467.db2.gz ODWDCVIFCWAUKW-UHFFFAOYSA-N 0 0 307.357 3.121 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(C)COC1 ZINC000112753197 431302838 /nfs/dbraw/zinc/30/28/38/431302838.db2.gz RYJNDGMWHMPXMJ-UHFFFAOYSA-N 0 0 314.838 3.136 10 30 DGEERN CC(C)(C#N)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219357 431335159 /nfs/dbraw/zinc/33/51/59/431335159.db2.gz SVBUWLRNSIVHFO-OAHLLOKOSA-N 0 0 322.412 3.332 10 30 DGEERN CC(=O)Nc1cccc(C(C)=NNc2cccc([N+](=O)[O-])c2)c1 ZINC000007778917 431362764 /nfs/dbraw/zinc/36/27/64/431362764.db2.gz YPZHQGUQCWQYPQ-WOJGMQOQSA-N 0 0 312.329 3.389 10 30 DGEERN CCCCCCCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114864398 431417149 /nfs/dbraw/zinc/41/71/49/431417149.db2.gz BNFKIQCSRYEPRW-CQSZACIVSA-N 0 0 306.454 3.022 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000114511482 431395064 /nfs/dbraw/zinc/39/50/64/431395064.db2.gz NNDWHHGGRXGAHR-INIZCTEOSA-N 0 0 323.400 3.278 10 30 DGEERN C[C@H]1C[C@@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115360742 431449822 /nfs/dbraw/zinc/44/98/22/431449822.db2.gz GEQXBOKXPIKJCU-UGSOOPFHSA-N 0 0 306.365 3.275 10 30 DGEERN Cc1sc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000116809524 431528245 /nfs/dbraw/zinc/52/82/45/431528245.db2.gz WDHKMKVIPSIBJX-OTYXRUKQSA-N 0 0 307.375 3.167 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1cccn1C ZINC000075698919 431490987 /nfs/dbraw/zinc/49/09/87/431490987.db2.gz BARGZXOEPOWFCJ-PBHICJAKSA-N 0 0 323.396 3.028 10 30 DGEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1c1ccco1 ZINC000116295169 431497981 /nfs/dbraw/zinc/49/79/81/431497981.db2.gz TYOJTQSOYYKJRU-XJKSGUPXSA-N 0 0 309.369 3.315 10 30 DGEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1ccco1 ZINC000116294622 431498169 /nfs/dbraw/zinc/49/81/69/431498169.db2.gz HCQZPQDVYFPYPV-XJKSGUPXSA-N 0 0 309.369 3.315 10 30 DGEERN C=CCCCN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000076690994 431561259 /nfs/dbraw/zinc/56/12/59/431561259.db2.gz ZHTFFTGNHZIQKX-UHFFFAOYSA-N 0 0 305.378 3.135 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000116973150 431540963 /nfs/dbraw/zinc/54/09/63/431540963.db2.gz RZDNHTCSMVUOSS-MRXNPFEDSA-N 0 0 301.434 3.181 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC000076950887 431565325 /nfs/dbraw/zinc/56/53/25/431565325.db2.gz KGAMZQQFLPUCPV-UHFFFAOYSA-N 0 0 304.438 3.035 10 30 DGEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@@H](C)N1CCCCC1=O ZINC000328756596 280078955 /nfs/dbraw/zinc/07/89/55/280078955.db2.gz UIYWSNPLKKMKTL-RKVPGOIHSA-N 0 0 324.465 3.185 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000076854520 431564226 /nfs/dbraw/zinc/56/42/26/431564226.db2.gz UGSVRASUQONJHP-UHFFFAOYSA-N 0 0 318.236 3.036 10 30 DGEERN CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCO)OC(C)=O ZINC000013835249 431568551 /nfs/dbraw/zinc/56/85/51/431568551.db2.gz HHTORKBWIQPETA-PDYGGIGGSA-N 0 0 300.398 3.166 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000077438661 431594492 /nfs/dbraw/zinc/59/44/92/431594492.db2.gz WHOWZUGIXVZNAC-UHFFFAOYSA-N 0 0 315.417 3.416 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CCCC2(C)C)cc1 ZINC000077495405 431600691 /nfs/dbraw/zinc/60/06/91/431600691.db2.gz JXNYEAKHTZFXDA-UHFFFAOYSA-N 0 0 301.390 3.009 10 30 DGEERN N#Cc1cccc(NC(=O)CN2CC=C(c3cccs3)CC2)c1 ZINC000117895838 431583796 /nfs/dbraw/zinc/58/37/96/431583796.db2.gz FRULKECCXXBSMM-UHFFFAOYSA-N 0 0 323.421 3.348 10 30 DGEERN C=CCc1cc(C(=O)N2CCCC2(C)C)cc(OC)c1OC ZINC000077353697 431584234 /nfs/dbraw/zinc/58/42/34/431584234.db2.gz QXFJOWKJMRYOPR-UHFFFAOYSA-N 0 0 303.402 3.447 10 30 DGEERN CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000118893654 431623048 /nfs/dbraw/zinc/62/30/48/431623048.db2.gz KOKGOUDONNJEMI-UHFFFAOYSA-N 0 0 317.780 3.114 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OCCCC ZINC000077862505 431627669 /nfs/dbraw/zinc/62/76/69/431627669.db2.gz DMBJTZRQQPOZLI-UHFFFAOYSA-N 0 0 318.417 3.229 10 30 DGEERN C[C@@H](NC(=O)CSc1cc(C#N)ccn1)c1ccc(F)cc1 ZINC000077907181 431629140 /nfs/dbraw/zinc/62/91/40/431629140.db2.gz NIOOCBBYLKYEBT-LLVKDONJSA-N 0 0 315.373 3.062 10 30 DGEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@@H]1CCCCO1 ZINC000407984354 280502383 /nfs/dbraw/zinc/50/23/83/280502383.db2.gz WAOVWMCEQXYYFV-ZDUSSCGKSA-N 0 0 316.788 3.404 10 30 DGEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 ZINC000078188339 431647301 /nfs/dbraw/zinc/64/73/01/431647301.db2.gz ISVQCSAMSMGRME-HOCLYGCPSA-N 0 0 312.413 3.484 10 30 DGEERN C[C@H](NC=C1C(=O)CC(C)(C)CC1=O)c1ccc(F)c(F)c1 ZINC000121033621 431739863 /nfs/dbraw/zinc/73/98/63/431739863.db2.gz CZQUQNIJPSMBAJ-JTQLQIEISA-N 0 0 307.340 3.458 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000119877586 431719009 /nfs/dbraw/zinc/71/90/09/431719009.db2.gz NLZNWYASQWJQFU-CQSZACIVSA-N 0 0 304.390 3.284 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000119915585 431720067 /nfs/dbraw/zinc/72/00/67/431720067.db2.gz BXOQTZZLAGDFAL-GOSISDBHSA-N 0 0 313.401 3.132 10 30 DGEERN C[C@@H](NC(=O)CSCC#N)c1ccc(Cl)c(Cl)c1 ZINC000032689428 431788751 /nfs/dbraw/zinc/78/87/51/431788751.db2.gz HDLRFRCHQQYELK-MRVPVSSYSA-N 0 0 303.214 3.427 10 30 DGEERN CN(Cc1csc2ccccc12)C(=O)c1cc(C#N)cn1C ZINC000081673051 431799032 /nfs/dbraw/zinc/79/90/32/431799032.db2.gz HORQIWXDQXKIHQ-UHFFFAOYSA-N 0 0 309.394 3.384 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121557812 431803396 /nfs/dbraw/zinc/80/33/96/431803396.db2.gz QPNMAYVZIADLCA-ZFWWWQNUSA-N 0 0 303.402 3.386 10 30 DGEERN COC(=O)CCCCCN=Cc1cc2ccccc2[nH]c1=O ZINC000121783624 431804424 /nfs/dbraw/zinc/80/44/24/431804424.db2.gz HEGDRHGPPSRIOS-LDADJPATSA-N 0 0 300.358 3.093 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000083230052 431809137 /nfs/dbraw/zinc/80/91/37/431809137.db2.gz PJHWQKHOCGSOKI-HOCLYGCPSA-N 0 0 318.417 3.253 10 30 DGEERN C=CCOc1ccc(CNc2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000122055958 431810040 /nfs/dbraw/zinc/81/00/40/431810040.db2.gz MKAXCASPWVSEQK-UHFFFAOYSA-N 0 0 324.424 3.494 10 30 DGEERN CC[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc([N+](=O)[O-])c1 ZINC000084188896 431817473 /nfs/dbraw/zinc/81/74/73/431817473.db2.gz KAHNYLKDGNFJSX-CYBMUJFWSA-N 0 0 315.354 3.409 10 30 DGEERN CCO[C@H](C)c1nc(CN(C)CCCSCC#N)cs1 ZINC000080629424 431771337 /nfs/dbraw/zinc/77/13/37/431771337.db2.gz RGAOFNCYGIWQRY-GFCCVEGCSA-N 0 0 313.492 3.319 10 30 DGEERN CC(C)[C@H](C)N(C(=O)NCCOc1ccc(C#N)cc1)C1CC1 ZINC000086424738 431845792 /nfs/dbraw/zinc/84/57/92/431845792.db2.gz WLJKEZYTQRHBGU-AWEZNQCLSA-N 0 0 315.417 3.156 10 30 DGEERN Cc1c(Br)cccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000088441074 431858070 /nfs/dbraw/zinc/85/80/70/431858070.db2.gz YFZIREYRSQJWOZ-MFKMUULPSA-N 0 0 307.191 3.180 10 30 DGEERN CCCN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C#N ZINC000089194853 431861188 /nfs/dbraw/zinc/86/11/88/431861188.db2.gz ZADFCGJNPDZVLX-UHFFFAOYSA-N 0 0 304.394 3.334 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2cc(C#N)ccn2)C1 ZINC000085332977 431837882 /nfs/dbraw/zinc/83/78/82/431837882.db2.gz SQLPLWFCPCURNO-CYBMUJFWSA-N 0 0 319.430 3.445 10 30 DGEERN CCc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000122606878 431839469 /nfs/dbraw/zinc/83/94/69/431839469.db2.gz XXAHCTIWXWIJDV-CQSZACIVSA-N 0 0 308.381 3.204 10 30 DGEERN N#CCCCCS(=O)(=O)Cc1csc(Br)c1 ZINC000124922474 431908279 /nfs/dbraw/zinc/90/82/79/431908279.db2.gz UGQAOTQQFUZJBX-UHFFFAOYSA-N 0 0 322.249 3.119 10 30 DGEERN COc1ccc(COc2ccc(CC[C@@H](C)O)cc2)cc1C#N ZINC000125008059 431910788 /nfs/dbraw/zinc/91/07/88/431910788.db2.gz HNDYOGJEFNEAKT-CQSZACIVSA-N 0 0 311.381 3.459 10 30 DGEERN C=C(C)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1Br ZINC000095756351 431926291 /nfs/dbraw/zinc/92/62/91/431926291.db2.gz GLWYFCULLRBLCY-UHFFFAOYSA-N 0 0 313.151 3.286 10 30 DGEERN CC[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000123823899 431874756 /nfs/dbraw/zinc/87/47/56/431874756.db2.gz NEYWIIURAGAWNP-PKOBYXMFSA-N 0 0 319.408 3.209 10 30 DGEERN N#CCOc1cccc(CC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000089770396 431878220 /nfs/dbraw/zinc/87/82/20/431878220.db2.gz GROQFHZPNNTNHM-HXUWFJFHSA-N 0 0 324.424 3.480 10 30 DGEERN C=C[C@H](CC(=O)N[C@H](C)CCC(=O)OCC)c1ccccc1 ZINC000089805158 431879561 /nfs/dbraw/zinc/87/95/61/431879561.db2.gz XXAGZTCKKYWNKN-HUUCEWRRSA-N 0 0 303.402 3.194 10 30 DGEERN Cc1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)nc1C#N ZINC000302692065 280875525 /nfs/dbraw/zinc/87/55/25/280875525.db2.gz ZRDIKPSYUKSISH-INIZCTEOSA-N 0 0 321.380 3.374 10 30 DGEERN O=C1CCCC2=C1[C@@H](c1ccccc1)N=C(c1ccccn1)N2 ZINC000045348913 431884895 /nfs/dbraw/zinc/88/48/95/431884895.db2.gz BFINRYPCFQFXOH-GOSISDBHSA-N 0 0 303.365 3.180 10 30 DGEERN C=CCCOCCNC(=O)NCc1ccccc1OC1CCC1 ZINC000124451858 431894721 /nfs/dbraw/zinc/89/47/21/431894721.db2.gz SJEVYPSVVOJFLT-UHFFFAOYSA-N 0 0 318.417 3.010 10 30 DGEERN N#C[C@@H](C(=O)c1ccccc1Br)c1ccccn1 ZINC000046439631 431897094 /nfs/dbraw/zinc/89/70/94/431897094.db2.gz PWZWERFJXTZPIQ-LLVKDONJSA-N 0 0 301.143 3.334 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000091107648 431903055 /nfs/dbraw/zinc/90/30/55/431903055.db2.gz DNGLBZBJOJXRPH-OAHLLOKOSA-N 0 0 312.360 3.260 10 30 DGEERN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2(C#N)CCCC2)c1 ZINC000124824949 431906227 /nfs/dbraw/zinc/90/62/27/431906227.db2.gz IJGCAZBACKBCCF-LBPRGKRZSA-N 0 0 306.793 3.368 10 30 DGEERN CC(C)C(Cl)=NOC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000097962847 431975345 /nfs/dbraw/zinc/97/53/45/431975345.db2.gz UCHJWCDOSBDBSX-AYSLTRBKSA-N 0 0 316.692 3.314 10 30 DGEERN CCCCCc1ccc(C(=O)CCC(=O)N[C@H](C)C#N)cc1 ZINC000125811902 431936132 /nfs/dbraw/zinc/93/61/32/431936132.db2.gz UXRUCHUTYBYJGP-CQSZACIVSA-N 0 0 300.402 3.410 10 30 DGEERN N#CC1(C(=O)NCc2ccn(C3CCCC3)n2)CCCCC1 ZINC000126291620 431947117 /nfs/dbraw/zinc/94/71/17/431947117.db2.gz BPQLCHHMLZUZEE-UHFFFAOYSA-N 0 0 300.406 3.088 10 30 DGEERN N#CCc1cccc(C(=O)NCCCCOCc2ccccc2)c1 ZINC000050421090 431948115 /nfs/dbraw/zinc/94/81/15/431948115.db2.gz PWKVYSCOJBDEJW-UHFFFAOYSA-N 0 0 322.408 3.479 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccsc2)c(OC)c2c1OCO2 ZINC000096503735 431954468 /nfs/dbraw/zinc/95/44/68/431954468.db2.gz YSJXEKGPUQUXJY-ARJAWSKDSA-N 0 0 318.350 3.390 10 30 DGEERN COCc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)o1 ZINC000097405238 431968817 /nfs/dbraw/zinc/96/88/17/431968817.db2.gz NZHVAKJLDJLAQZ-UHFFFAOYSA-N 0 0 323.399 3.059 10 30 DGEERN C=CCCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248573360 432303172 /nfs/dbraw/zinc/30/31/72/432303172.db2.gz GQYZSGSCPICNNV-RRFJBIMHSA-N 0 0 322.449 3.104 10 30 DGEERN C=CCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000248473944 432294163 /nfs/dbraw/zinc/29/41/63/432294163.db2.gz LKGVDZIPEDPMTO-KFWWJZLASA-N 0 0 307.434 3.454 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCCNC(C)=O ZINC000191455233 432267612 /nfs/dbraw/zinc/26/76/12/432267612.db2.gz UJRNODVOGSCBPF-UHFFFAOYSA-N 0 0 317.433 3.186 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000174221291 432330526 /nfs/dbraw/zinc/33/05/26/432330526.db2.gz QWJGNIIXRUINHS-ZIAGYGMSSA-N 0 0 320.408 3.074 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000249049373 432336232 /nfs/dbraw/zinc/33/62/32/432336232.db2.gz IGVLJJHMWYKPLS-QDEZUTFSSA-N 0 0 300.402 3.266 10 30 DGEERN C[C@H](CNC(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000174336419 432338802 /nfs/dbraw/zinc/33/88/02/432338802.db2.gz CCLJYOIBSDWZCJ-LLVKDONJSA-N 0 0 300.308 3.370 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CCC1 ZINC000191817001 432304138 /nfs/dbraw/zinc/30/41/38/432304138.db2.gz CZXIJNMRLQWBOI-MRXNPFEDSA-N 0 0 312.413 3.045 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000248590811 432304710 /nfs/dbraw/zinc/30/47/10/432304710.db2.gz RRYSARMYNBXREU-VBHSOAQHSA-N 0 0 322.364 3.481 10 30 DGEERN CC#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248617086 432305926 /nfs/dbraw/zinc/30/59/26/432305926.db2.gz JDBDKZMJCWBKMS-AEFFLSMTSA-N 0 0 320.383 3.020 10 30 DGEERN CO[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@H]1C ZINC000191894887 432310942 /nfs/dbraw/zinc/31/09/42/432310942.db2.gz JEOOTPBIUNTGOG-ABAIWWIYSA-N 0 0 323.234 3.178 10 30 DGEERN CN(C(=O)c1ccccc1-c1ccccc1C#N)c1nncs1 ZINC000184303561 432375918 /nfs/dbraw/zinc/37/59/18/432375918.db2.gz JVBVGUSZMUOCDN-UHFFFAOYSA-N 0 0 320.377 3.353 10 30 DGEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)ccc1N1CCCC1 ZINC000192475933 432378890 /nfs/dbraw/zinc/37/88/90/432378890.db2.gz INRDYKKWKSJKBU-UHFFFAOYSA-N 0 0 306.369 3.114 10 30 DGEERN N#Cc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000174982327 432385706 /nfs/dbraw/zinc/38/57/06/432385706.db2.gz QCFFLSIKAPENBL-UHFFFAOYSA-N 0 0 322.368 3.018 10 30 DGEERN CC(Cc1ccccc1)=NNS(=O)(=O)c1ccc(Cl)cc1 ZINC000254699388 432404791 /nfs/dbraw/zinc/40/47/91/432404791.db2.gz ODWZNNKHPIHXHG-UHFFFAOYSA-N 0 0 322.817 3.237 10 30 DGEERN Cn1cc(-c2cc(CSCc3cccc(C#N)c3)on2)cn1 ZINC000184113768 432357073 /nfs/dbraw/zinc/35/70/73/432357073.db2.gz QDUZODHZIUXGCQ-UHFFFAOYSA-N 0 0 310.382 3.380 10 30 DGEERN CCN(C[C@H](C)C#N)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000249883005 432360530 /nfs/dbraw/zinc/36/05/30/432360530.db2.gz NZHUKORFTAXCQF-IAGOWNOFSA-N 0 0 315.461 3.294 10 30 DGEERN C#CCCCC(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 ZINC000192347494 432362411 /nfs/dbraw/zinc/36/24/11/432362411.db2.gz SMSQDOVFEDFNFT-UHFFFAOYSA-N 0 0 301.386 3.165 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(COCC3CC3)c2)ccn1 ZINC000192913656 432428410 /nfs/dbraw/zinc/42/84/10/432428410.db2.gz PUKBNMVGIABDNR-UHFFFAOYSA-N 0 0 307.353 3.132 10 30 DGEERN CC(C)[C@@H]1C[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000185020485 432457625 /nfs/dbraw/zinc/45/76/25/432457625.db2.gz SJMNRRGAHNEJSP-LSDHHAIUSA-N 0 0 309.331 3.465 10 30 DGEERN C=CCN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000271531017 432416273 /nfs/dbraw/zinc/41/62/73/432416273.db2.gz NZAZSEIWCIAQEK-UHFFFAOYSA-N 0 0 300.333 3.200 10 30 DGEERN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2CC2(C)C)c1C ZINC000154103115 432471429 /nfs/dbraw/zinc/47/14/29/432471429.db2.gz CLTIQRQBCCYQGX-HNNXBMFYSA-N 0 0 308.385 3.345 10 30 DGEERN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193463807 432475918 /nfs/dbraw/zinc/47/59/18/432475918.db2.gz ACRYBIRFXOSKSB-APPDUMDISA-N 0 0 309.344 3.146 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000185368462 432496087 /nfs/dbraw/zinc/49/60/87/432496087.db2.gz FZCVLBUORIREPU-HRCADAONSA-N 0 0 308.466 3.132 10 30 DGEERN COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)CC(C)C ZINC000185588677 432513131 /nfs/dbraw/zinc/51/31/31/432513131.db2.gz KKTVFIFELPEUQF-ZDUSSCGKSA-N 0 0 304.390 3.204 10 30 DGEERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176267636 432506329 /nfs/dbraw/zinc/50/63/29/432506329.db2.gz FIUKJFHNMTYJDK-AWEZNQCLSA-N 0 0 320.824 3.160 10 30 DGEERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282961 432463044 /nfs/dbraw/zinc/46/30/44/432463044.db2.gz OZEMLVNTYMBNFP-VXGBXAGGSA-N 0 0 315.373 3.347 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000176786187 432552523 /nfs/dbraw/zinc/55/25/23/432552523.db2.gz AZRHFIPDRRLVCA-IHRRRGAJSA-N 0 0 324.421 3.161 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@@H]2OC)nc2sccc2c1=O ZINC000273142713 432555894 /nfs/dbraw/zinc/55/58/94/432555894.db2.gz UJSONUPFCIGQDX-NWDGAFQWSA-N 0 0 322.455 3.304 10 30 DGEERN C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000194505642 432555962 /nfs/dbraw/zinc/55/59/62/432555962.db2.gz GXUPZVVWIOZHOG-SKDRFNHKSA-N 0 0 312.291 3.188 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000194562738 432561849 /nfs/dbraw/zinc/56/18/49/432561849.db2.gz AQYJJKDGPLNPMU-QWRGUYRKSA-N 0 0 310.385 3.326 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCc1ccc(Cl)cn1 ZINC000272527752 432517430 /nfs/dbraw/zinc/51/74/30/432517430.db2.gz DYRQHHIRRVYREC-UHFFFAOYSA-N 0 0 319.792 3.268 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000176907703 432564170 /nfs/dbraw/zinc/56/41/70/432564170.db2.gz NMSOCEMTWHUCBU-UHFFFAOYSA-N 0 0 311.360 3.235 10 30 DGEERN CC(C)[C@H](CNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000194299543 432539417 /nfs/dbraw/zinc/53/94/17/432539417.db2.gz DBBLMZYQHCROLG-KRWDZBQOSA-N 0 0 307.397 3.198 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000185914333 432544011 /nfs/dbraw/zinc/54/40/11/432544011.db2.gz OVSKCBHMAIRGEM-VJFUWPCTSA-N 0 0 301.430 3.404 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000185904531 432544089 /nfs/dbraw/zinc/54/40/89/432544089.db2.gz QEWUEMFNZXZNHN-AWEZNQCLSA-N 0 0 307.459 3.129 10 30 DGEERN C=CC[C@H](CO)NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000185915489 432545106 /nfs/dbraw/zinc/54/51/06/432545106.db2.gz MCTJOIXSOVUFNK-MRXNPFEDSA-N 0 0 319.445 3.052 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000186629300 432615042 /nfs/dbraw/zinc/61/50/42/432615042.db2.gz BMDSRZXMIGVXGM-JTQLQIEISA-N 0 0 302.296 3.072 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1(Cc2ccccc2)CC1 ZINC000186277739 432577797 /nfs/dbraw/zinc/57/77/97/432577797.db2.gz JAVKSYVEZXRYLW-HNNXBMFYSA-N 0 0 320.392 3.217 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000186295115 432578999 /nfs/dbraw/zinc/57/89/99/432578999.db2.gz NLQGFHQXZKAOCG-VIFPVBQESA-N 0 0 300.255 3.112 10 30 DGEERN C=CCN(CC=C)C(=O)CSCc1nc(C2CCCC2)no1 ZINC000155995392 432586493 /nfs/dbraw/zinc/58/64/93/432586493.db2.gz NFPOASKSQSEZNO-UHFFFAOYSA-N 0 0 321.446 3.161 10 30 DGEERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccnc(C#N)c1 ZINC000195016820 432594616 /nfs/dbraw/zinc/59/46/16/432594616.db2.gz DIWRYDFYACQXJW-UHFFFAOYSA-N 0 0 319.286 3.244 10 30 DGEERN N#C[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000186673742 432621671 /nfs/dbraw/zinc/62/16/71/432621671.db2.gz UANGKXNJCIMYJG-AWEZNQCLSA-N 0 0 310.319 3.446 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000274318202 432650047 /nfs/dbraw/zinc/65/00/47/432650047.db2.gz JUGBFDNQMHMOHK-JICACKBISA-N 0 0 315.373 3.443 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177788051 432661687 /nfs/dbraw/zinc/66/16/87/432661687.db2.gz HQJLUGHCZWLHDT-SWLSCSKDSA-N 0 0 306.362 3.143 10 30 DGEERN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(C)c1O ZINC000177790638 432662525 /nfs/dbraw/zinc/66/25/25/432662525.db2.gz XFLIKXUSHBTZTN-ZDUSSCGKSA-N 0 0 310.353 3.287 10 30 DGEERN C=CC1CCN(C(=O)C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000187395259 432663362 /nfs/dbraw/zinc/66/33/62/432663362.db2.gz DWYZFYCWKIARCD-UHFFFAOYSA-N 0 0 322.355 3.161 10 30 DGEERN COc1ccc(CCNC(=O)c2cc(C#N)cs2)c(Cl)c1 ZINC000177814534 432664957 /nfs/dbraw/zinc/66/49/57/432664957.db2.gz CZKGIRYDIHSFSZ-UHFFFAOYSA-N 0 0 320.801 3.254 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000187489865 432667410 /nfs/dbraw/zinc/66/74/10/432667410.db2.gz DHEPMRJCLTZTCR-AWEZNQCLSA-N 0 0 322.330 3.391 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000188052624 432700477 /nfs/dbraw/zinc/70/04/77/432700477.db2.gz XOXCXSLEMKGBOO-SCLBCKFNSA-N 0 0 321.417 3.110 10 30 DGEERN CN1CCCN(C(=O)c2cccc(F)c2C#N)c2ccccc21 ZINC000188152519 432707935 /nfs/dbraw/zinc/70/79/35/432707935.db2.gz DGHZENILSRIARQ-UHFFFAOYSA-N 0 0 309.344 3.184 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000274489298 432674274 /nfs/dbraw/zinc/67/42/74/432674274.db2.gz QTMNGUFEQUAUMD-CYBMUJFWSA-N 0 0 315.442 3.466 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000187864374 432690321 /nfs/dbraw/zinc/69/03/21/432690321.db2.gz JPVQAMHXEGUEDD-MRXNPFEDSA-N 0 0 317.414 3.372 10 30 DGEERN Cc1ccnc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1C#N ZINC000275801020 432750193 /nfs/dbraw/zinc/75/01/93/432750193.db2.gz ZYDVACYKRVEOOS-MRXNPFEDSA-N 0 0 307.401 3.205 10 30 DGEERN COc1ccc(F)cc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000188873716 432750778 /nfs/dbraw/zinc/75/07/78/432750778.db2.gz VEAZROJLGVEBQE-UHFFFAOYSA-N 0 0 317.295 3.167 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000178553346 432752972 /nfs/dbraw/zinc/75/29/72/432752972.db2.gz QHNCXMUEOSILRC-ZDUSSCGKSA-N 0 0 322.364 3.129 10 30 DGEERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1C ZINC000178568656 432753935 /nfs/dbraw/zinc/75/39/35/432753935.db2.gz BCFDJCFUIWHGLR-MRXNPFEDSA-N 0 0 323.400 3.068 10 30 DGEERN CC(C)n1cc(Br)cc1C(=O)NC1(C#N)CCCC1 ZINC000266337328 432757029 /nfs/dbraw/zinc/75/70/29/432757029.db2.gz KSHSTHURNITONX-UHFFFAOYSA-N 0 0 324.222 3.398 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000189040334 432760682 /nfs/dbraw/zinc/76/06/82/432760682.db2.gz CGZXQQRTRZTRDG-PRHODGIISA-N 0 0 317.336 3.364 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189122870 432764553 /nfs/dbraw/zinc/76/45/53/432764553.db2.gz YAPWZDAXTYOQKX-UHFFFAOYSA-N 0 0 318.376 3.188 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000189113093 432765296 /nfs/dbraw/zinc/76/52/96/432765296.db2.gz RZCXSDPHHUZXAY-CQSZACIVSA-N 0 0 303.406 3.384 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000189142016 432766345 /nfs/dbraw/zinc/76/63/45/432766345.db2.gz GTKUSPAAPAUKQZ-SJKOYZFVSA-N 0 0 311.372 3.413 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H](C)C2 ZINC000189197495 432770623 /nfs/dbraw/zinc/77/06/23/432770623.db2.gz NPOYBUFSZQRNEX-SGTLLEGYSA-N 0 0 306.365 3.236 10 30 DGEERN Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188472520 432727532 /nfs/dbraw/zinc/72/75/32/432727532.db2.gz YPYXTXYOWHBEMV-AWEZNQCLSA-N 0 0 308.381 3.276 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCN(CC)C(=O)[C@@H](C)CC(=C)C ZINC000275586946 432731680 /nfs/dbraw/zinc/73/16/80/432731680.db2.gz ZZWGQYVYBZEMER-HOTGVXAUSA-N 0 0 308.466 3.156 10 30 DGEERN CC[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000162514247 432826225 /nfs/dbraw/zinc/82/62/25/432826225.db2.gz RLGITQKNZJCHQJ-AWEZNQCLSA-N 0 0 314.414 3.307 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000277272926 432833165 /nfs/dbraw/zinc/83/31/65/432833165.db2.gz BNORCPJFXLJOAM-OAHLLOKOSA-N 0 0 301.386 3.142 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000276261654 432789045 /nfs/dbraw/zinc/78/90/45/432789045.db2.gz PZJCHOJITZIFNB-QGZVFWFLSA-N 0 0 322.474 3.209 10 30 DGEERN N#C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)C1CC1 ZINC000161767098 432796628 /nfs/dbraw/zinc/79/66/28/432796628.db2.gz AAFJPBPIKJUERA-GFCCVEGCSA-N 0 0 301.733 3.027 10 30 DGEERN N#C[C@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C1CC1 ZINC000161861855 432801136 /nfs/dbraw/zinc/80/11/36/432801136.db2.gz RITDYTIAVQRXRW-ROUUACIJSA-N 0 0 306.365 3.225 10 30 DGEERN N#Cc1cc(F)c(N2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000268381569 432867243 /nfs/dbraw/zinc/86/72/43/432867243.db2.gz JPIXGRUCYOWUHF-ZDUSSCGKSA-N 0 0 306.337 3.476 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000245900932 432868152 /nfs/dbraw/zinc/86/81/52/432868152.db2.gz AYDKWFAOALDDCY-IPMKNSEASA-N 0 0 302.377 3.325 10 30 DGEERN Cn1ccc2ccc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)cc21 ZINC000330156121 432895727 /nfs/dbraw/zinc/89/57/27/432895727.db2.gz OZUGOMBVEPWROT-RHSMWYFYSA-N 0 0 324.384 3.278 10 30 DGEERN C#CCC(CC#C)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000277751540 432874594 /nfs/dbraw/zinc/87/45/94/432874594.db2.gz ROGKNOVFUYHDJN-UHFFFAOYSA-N 0 0 323.436 3.105 10 30 DGEERN Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1NC(=O)N(C)C ZINC000330039025 432889449 /nfs/dbraw/zinc/88/94/49/432889449.db2.gz BUUDTLGSTXHTMH-BPLDGKMQSA-N 0 0 317.389 3.115 10 30 DGEERN C#C[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000288266248 432890194 /nfs/dbraw/zinc/89/01/94/432890194.db2.gz HUAOXDLDYSZVFQ-BXUZGUMPSA-N 0 0 303.362 3.003 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000288380321 432891434 /nfs/dbraw/zinc/89/14/34/432891434.db2.gz FLQSOEFKGBVQMZ-MRXNPFEDSA-N 0 0 321.342 3.329 10 30 DGEERN CC(=O)Nc1cc(NC(=O)N2CCO[C@H](C3CC3)C2)ccc1F ZINC000330131416 432894587 /nfs/dbraw/zinc/89/45/87/432894587.db2.gz KXHVAHPARUHADD-HNNXBMFYSA-N 0 0 321.352 3.090 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000277341296 432839861 /nfs/dbraw/zinc/83/98/61/432839861.db2.gz DQHRUCKQFQIUFB-AWEZNQCLSA-N 0 0 301.817 3.392 10 30 DGEERN Clc1cccc(C#CCN2CCO[C@H](c3nccs3)C2)c1 ZINC000163025324 432841501 /nfs/dbraw/zinc/84/15/01/432841501.db2.gz HMLKPWCKCDEEHE-HNNXBMFYSA-N 0 0 318.829 3.222 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245547478 432843090 /nfs/dbraw/zinc/84/30/90/432843090.db2.gz FCALLUCPUZILIX-MAZHCROVSA-N 0 0 321.852 3.349 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000163110534 432844061 /nfs/dbraw/zinc/84/40/61/432844061.db2.gz FVTLBBFFKOBINA-UHFFFAOYSA-N 0 0 323.327 3.143 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000277431444 432849158 /nfs/dbraw/zinc/84/91/58/432849158.db2.gz MYKGPPUSZGEACH-OAHLLOKOSA-N 0 0 301.386 3.142 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 ZINC000288588306 432895227 /nfs/dbraw/zinc/89/52/27/432895227.db2.gz YQZPPWMXXWRVQU-UHFFFAOYSA-N 0 0 321.420 3.364 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@](C)(F)C1 ZINC000296679467 432924945 /nfs/dbraw/zinc/92/49/45/432924945.db2.gz BGEDCBFKJNQQAY-MRXNPFEDSA-N 0 0 308.328 3.194 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1ccc(Cl)c(OC)c1 ZINC000296732689 432926101 /nfs/dbraw/zinc/92/61/01/432926101.db2.gz CXQSUKOQBFLZTA-UHFFFAOYSA-N 0 0 310.825 3.499 10 30 DGEERN C=C[C@H](CC(=O)NCC1(CO)CC2(CCC2)C1)c1ccccc1 ZINC000279171835 432941898 /nfs/dbraw/zinc/94/18/98/432941898.db2.gz RIOLUZRPFABDAI-MRXNPFEDSA-N 0 0 313.441 3.405 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000329556397 288817929 /nfs/dbraw/zinc/81/79/29/288817929.db2.gz KVGUVGOPHNYFFR-MYFFOXHASA-N 0 0 314.429 3.381 10 30 DGEERN CC(C)(CNC(=O)N1CCc2cc[nH]c(=O)c2C1)C1CCCC1 ZINC000330252644 432899679 /nfs/dbraw/zinc/89/96/79/432899679.db2.gz IMOBHQKXQCUHCH-UHFFFAOYSA-N 0 0 317.433 3.276 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC2(C3CC3)CC2)cn1 ZINC000330341515 432904130 /nfs/dbraw/zinc/90/41/30/432904130.db2.gz ZIJKMJPKRUEKAD-LSDHHAIUSA-N 0 0 303.406 3.127 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2ccc(NC(C)=O)cc2)no1 ZINC000288998944 432911239 /nfs/dbraw/zinc/91/12/39/432911239.db2.gz NVAUPVPKIDXXDQ-KRWDZBQOSA-N 0 0 315.373 3.175 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCSC[C@@H]1C ZINC000289734296 432973628 /nfs/dbraw/zinc/97/36/28/432973628.db2.gz QDSGUFXFDFXULE-NSHDSACASA-N 0 0 318.446 3.283 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Nc1snc(C)c1C#N ZINC000297411013 432995488 /nfs/dbraw/zinc/99/54/88/432995488.db2.gz LLUOSWWJJKIBAP-UHFFFAOYSA-N 0 0 316.386 3.179 10 30 DGEERN C#Cc1ccc(CNC(=O)NC(C)(C)c2nc(C)cs2)cc1 ZINC000297794788 433018319 /nfs/dbraw/zinc/01/83/19/433018319.db2.gz XPLGFJLWHWMQQQ-UHFFFAOYSA-N 0 0 313.426 3.167 10 30 DGEERN C#Cc1ccccc1CC(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000290333278 433033516 /nfs/dbraw/zinc/03/35/16/433033516.db2.gz MEBUWIQXSFNLAS-UHFFFAOYSA-N 0 0 324.449 3.204 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1nc2ccccc2o1 ZINC000155640139 292712357 /nfs/dbraw/zinc/71/23/57/292712357.db2.gz JDGJZWGQADFKBH-UHFFFAOYSA-N 0 0 315.336 3.315 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCOC1(C)C ZINC000298254276 433070218 /nfs/dbraw/zinc/07/02/18/433070218.db2.gz YZZRCZCTIAHQMD-HNNXBMFYSA-N 0 0 306.381 3.091 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@H]2CCc3cc(Cl)ccc32)C1=O ZINC000419957851 433084672 /nfs/dbraw/zinc/08/46/72/433084672.db2.gz VPXSBICJUDFWEN-KGLIPLIRSA-N 0 0 304.777 3.214 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@@H]2CCCc3c(F)cccc32)C1=O ZINC000419964572 433088945 /nfs/dbraw/zinc/08/89/45/433088945.db2.gz IVNCHMZOSPKXLU-HUUCEWRRSA-N 0 0 302.349 3.090 10 30 DGEERN N#Cc1cnccc1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000373459385 433154780 /nfs/dbraw/zinc/15/47/80/433154780.db2.gz LKHMGLGYDYIFLR-SFHVURJKSA-N 0 0 304.328 3.111 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@H](CC(C)C)N(C)C1=O ZINC000420097781 433110001 /nfs/dbraw/zinc/11/00/01/433110001.db2.gz CITILVLFICQXQM-SJORKVTESA-N 0 0 314.429 3.483 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)[C@@H](CC(C)C)N(C)C1=O ZINC000420097521 433112368 /nfs/dbraw/zinc/11/23/68/433112368.db2.gz CITILVLFICQXQM-DLBZAZTESA-N 0 0 314.429 3.483 10 30 DGEERN C=CCN(C)c1nnc([C@]2(C)CCCO2)n1Cc1cccs1 ZINC000453532458 433207197 /nfs/dbraw/zinc/20/71/97/433207197.db2.gz IWFCBCCSEDUBJO-INIZCTEOSA-N 0 0 318.446 3.036 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374514496 433209933 /nfs/dbraw/zinc/20/99/33/433209933.db2.gz PARQCJFWBQKQJM-SJORKVTESA-N 0 0 302.418 3.372 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000290772480 433164293 /nfs/dbraw/zinc/16/42/93/433164293.db2.gz PYXDNKSAWJDMGZ-QGZVFWFLSA-N 0 0 310.422 3.339 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000361420984 433166646 /nfs/dbraw/zinc/16/66/46/433166646.db2.gz DNBNLAILDLRFOL-KBXCAEBGSA-N 0 0 305.393 3.297 10 30 DGEERN C=CCN(Cc1cccs1)c1nnc([C@]2(C)CCCO2)n1C ZINC000453431496 433179699 /nfs/dbraw/zinc/17/96/99/433179699.db2.gz SEXUQVRQJQZIEO-INIZCTEOSA-N 0 0 318.446 3.095 10 30 DGEERN N#CC1CCC(CNC(=O)N2CC=C(c3ccccc3)C2)CC1 ZINC000374240034 433181043 /nfs/dbraw/zinc/18/10/43/433181043.db2.gz HXXWVBDTTGZUOS-UHFFFAOYSA-N 0 0 309.413 3.425 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCc2sccc2[C@@H]1CC ZINC000298568786 433181737 /nfs/dbraw/zinc/18/17/37/433181737.db2.gz NNDAMIFERWVDQX-AWEZNQCLSA-N 0 0 320.458 3.009 10 30 DGEERN C=CCn1c(N2CCCC[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453435734 433182136 /nfs/dbraw/zinc/18/21/36/433182136.db2.gz GYNKRSZNCLJQSI-YOEHRIQHSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N(C)Cc2cccs2)nnc1[C@@]1(C)CCCO1 ZINC000453447023 433191695 /nfs/dbraw/zinc/19/16/95/433191695.db2.gz WZRRPPXTLRFBHG-MRXNPFEDSA-N 0 0 318.446 3.188 10 30 DGEERN C=CCN(CC=C)c1nnc(CCC(C)C)n1C[C@@H]1CCOC1 ZINC000290862694 433194350 /nfs/dbraw/zinc/19/43/50/433194350.db2.gz AKEPMLARROQJEK-INIZCTEOSA-N 0 0 318.465 3.082 10 30 DGEERN C=CCN(CC=C)c1nnc([C@@]2(C)CCCO2)n1CC(=C)C ZINC000453461280 433197156 /nfs/dbraw/zinc/19/71/56/433197156.db2.gz GDYFLVXFSRTRPL-QGZVFWFLSA-N 0 0 302.422 3.058 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 ZINC000291306873 433232395 /nfs/dbraw/zinc/23/23/95/433232395.db2.gz XGBDWOCXHPDXFH-UHFFFAOYSA-N 0 0 305.381 3.090 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000337565554 433243596 /nfs/dbraw/zinc/24/35/96/433243596.db2.gz QDBFKMHOLAFGMF-SNVBAGLBSA-N 0 0 322.206 3.410 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(N(C)C)cc2C)CCOCC1 ZINC000425441539 433244424 /nfs/dbraw/zinc/24/44/24/433244424.db2.gz IIJOTOFQCGFRHQ-UHFFFAOYSA-N 0 0 302.418 3.372 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000374667579 433253824 /nfs/dbraw/zinc/25/38/24/433253824.db2.gz YAFLGYNYBVPCAR-HNNXBMFYSA-N 0 0 302.418 3.077 10 30 DGEERN C=CCCn1cc(C(=O)N(c2ccc(F)cc2)C(C)C)nn1 ZINC000425465601 433254965 /nfs/dbraw/zinc/25/49/65/433254965.db2.gz NHOSUIXVARCILI-UHFFFAOYSA-N 0 0 302.353 3.049 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCC1=CCCCC1 ZINC000453797349 433266364 /nfs/dbraw/zinc/26/63/64/433266364.db2.gz FVLXTFRDCOKQBS-UHFFFAOYSA-N 0 0 312.413 3.360 10 30 DGEERN C=CCCCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000447899900 433316608 /nfs/dbraw/zinc/31/66/08/433316608.db2.gz YADRPEXSADNTEZ-ZDUSSCGKSA-N 0 0 322.478 3.463 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000425563938 433301672 /nfs/dbraw/zinc/30/16/72/433301672.db2.gz KIVZSHDASXEQBR-OWLYRPNTSA-N 0 0 314.429 3.165 10 30 DGEERN C=C(C)CCNC(=O)NCc1ccccc1OC(F)(F)F ZINC000454170881 433302765 /nfs/dbraw/zinc/30/27/65/433302765.db2.gz RMYWCZRXEYPJGF-UHFFFAOYSA-N 0 0 302.296 3.351 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCSC2(CCCCC2)C1 ZINC000425563525 433303005 /nfs/dbraw/zinc/30/30/05/433303005.db2.gz JCWPUFKRCBHUKD-GJZGRUSLSA-N 0 0 324.490 3.039 10 30 DGEERN C=CCCCNC(=O)NCCOc1ccccc1C(F)(F)F ZINC000448008103 433347282 /nfs/dbraw/zinc/34/72/82/433347282.db2.gz DAYMIDCSKSQDTQ-UHFFFAOYSA-N 0 0 316.323 3.350 10 30 DGEERN C=CCCCNC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000448043853 433354839 /nfs/dbraw/zinc/35/48/39/433354839.db2.gz PKWXBBBCEXZALL-UHFFFAOYSA-N 0 0 317.433 3.158 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1F)C1CC1 ZINC000425860578 433364073 /nfs/dbraw/zinc/36/40/73/433364073.db2.gz UGQLTPXLUBSNJI-GUYCJALGSA-N 0 0 318.392 3.091 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC1CCCCC1)C1CC1 ZINC000425863740 433364768 /nfs/dbraw/zinc/36/47/68/433364768.db2.gz YOSVVONIOSOMHK-RDJZCZTQSA-N 0 0 306.450 3.332 10 30 DGEERN C=CCCCNC(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000447981581 433337328 /nfs/dbraw/zinc/33/73/28/433337328.db2.gz ZAFGWOAFTWJKPO-CYBMUJFWSA-N 0 0 318.417 3.174 10 30 DGEERN C=CCCCNC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000447973297 433338348 /nfs/dbraw/zinc/33/83/48/433338348.db2.gz BNBAJJJVBSNBQV-AWEZNQCLSA-N 0 0 322.380 3.471 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000281662344 433340871 /nfs/dbraw/zinc/34/08/71/433340871.db2.gz JAAWKPDXDVANNT-NXEZZACHSA-N 0 0 315.339 3.004 10 30 DGEERN C=CCSCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454446599 433431519 /nfs/dbraw/zinc/43/15/19/433431519.db2.gz XMZHMEONQMLCJR-AWEZNQCLSA-N 0 0 306.431 3.435 10 30 DGEERN C=C[C@H](CC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000361785595 433390465 /nfs/dbraw/zinc/39/04/65/433390465.db2.gz BSKKIPLIJPSPEU-OAHLLOKOSA-N 0 0 309.413 3.476 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000361785594 433391017 /nfs/dbraw/zinc/39/10/17/433391017.db2.gz BSKKIPLIJPSPEU-HNNXBMFYSA-N 0 0 309.413 3.476 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000425982953 433395998 /nfs/dbraw/zinc/39/59/98/433395998.db2.gz YVNMDYISZVDORE-KZNAEPCWSA-N 0 0 313.445 3.182 10 30 DGEERN C#CCCCC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000281845074 433401403 /nfs/dbraw/zinc/40/14/03/433401403.db2.gz XGSCARVYNSSWTF-CYBMUJFWSA-N 0 0 322.202 3.192 10 30 DGEERN C=CCCCNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000448390533 433403167 /nfs/dbraw/zinc/40/31/67/433403167.db2.gz RHQBPTVCBIDJLH-UHFFFAOYSA-N 0 0 312.417 3.418 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000426053444 433413757 /nfs/dbraw/zinc/41/37/57/433413757.db2.gz XGPOPKJKHQEESR-AWEZNQCLSA-N 0 0 311.385 3.191 10 30 DGEERN Cc1ccnc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1C#N ZINC000275801016 292772576 /nfs/dbraw/zinc/77/25/76/292772576.db2.gz ZYDVACYKRVEOOS-INIZCTEOSA-N 0 0 307.401 3.205 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCCCF ZINC000361923783 433455249 /nfs/dbraw/zinc/45/52/49/433455249.db2.gz CJYHIFKGFQOLTJ-UHFFFAOYSA-N 0 0 320.408 3.343 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448635767 433465742 /nfs/dbraw/zinc/46/57/42/433465742.db2.gz TVJGVAPJKCGTPJ-UHFFFAOYSA-N 0 0 313.426 3.182 10 30 DGEERN CC(C)c1noc(CCCNc2snc(Cl)c2C#N)n1 ZINC000301239238 433462941 /nfs/dbraw/zinc/46/29/41/433462941.db2.gz NNNJJRMZFOVCNY-UHFFFAOYSA-N 0 0 311.798 3.219 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC000421267213 433469389 /nfs/dbraw/zinc/46/93/89/433469389.db2.gz VWVMWRYSEDZKCX-HUUCEWRRSA-N 0 0 316.405 3.118 10 30 DGEERN C=CCC1(c2nc(COC[C@@H]3CCOC3)no2)CCCCC1 ZINC000351438259 433510994 /nfs/dbraw/zinc/51/09/94/433510994.db2.gz JJBRSHWEVHKNLC-CQSZACIVSA-N 0 0 306.406 3.401 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2nnn(C(C)C)c2C)CCCC1(C)C ZINC000292241459 433520238 /nfs/dbraw/zinc/52/02/38/433520238.db2.gz DPSGKWUFXBHNDV-AWEZNQCLSA-N 0 0 304.438 3.374 10 30 DGEERN C=CCn1c(N(C)CCc2ncc(C)s2)nnc1C(C)(C)C ZINC000282209311 433530833 /nfs/dbraw/zinc/53/08/33/433530833.db2.gz HPLJYHQHEZORQK-UHFFFAOYSA-N 0 0 319.478 3.205 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000362125402 433538660 /nfs/dbraw/zinc/53/86/60/433538660.db2.gz OAHFLIAEDPFMKR-UHFFFAOYSA-N 0 0 323.396 3.078 10 30 DGEERN C=CCOc1ccc(CNCc2ncnn2-c2ccccc2)cc1 ZINC000355213516 433540237 /nfs/dbraw/zinc/54/02/37/433540237.db2.gz FTTLZLOZGSHVMK-UHFFFAOYSA-N 0 0 320.396 3.122 10 30 DGEERN CCCC(=O)Nc1cccc(NC(=O)c2ccc(C#N)n2C)c1C ZINC000448796973 433555869 /nfs/dbraw/zinc/55/58/69/433555869.db2.gz PMSAELZSAADJKD-UHFFFAOYSA-N 0 0 324.384 3.196 10 30 DGEERN C=CCC1(C(=O)NCC(=O)NC2CCCCC2)CCCCC1 ZINC000448820237 433565355 /nfs/dbraw/zinc/56/53/55/433565355.db2.gz BHQVHYVDCVTCGT-UHFFFAOYSA-N 0 0 306.450 3.078 10 30 DGEERN N#Cc1cc(NC[C@@H]2CCC[C@@H]2O)nc2ccc(Cl)cc12 ZINC000301476115 433572586 /nfs/dbraw/zinc/57/25/86/433572586.db2.gz STVWGEBCICDVPC-BONVTDFDSA-N 0 0 301.777 3.333 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCc2occc2C1 ZINC000292512623 433574767 /nfs/dbraw/zinc/57/47/67/433574767.db2.gz KPKDREZFMFNGIM-SFHVURJKSA-N 0 0 322.408 3.372 10 30 DGEERN COc1cc(CC(=O)N[C@@](C)(C#N)CC(C)C)ccc1Cl ZINC000448846595 433578884 /nfs/dbraw/zinc/57/88/84/433578884.db2.gz UCYLYHRDFXNKNG-MRXNPFEDSA-N 0 0 308.809 3.336 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000292696199 433587536 /nfs/dbraw/zinc/58/75/36/433587536.db2.gz HDXPWANYNFSTPK-OAHLLOKOSA-N 0 0 316.445 3.383 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2ccc(Cl)c(C#N)n2)c1 ZINC000301601977 433631137 /nfs/dbraw/zinc/63/11/37/433631137.db2.gz VWYSRXKQGMZANS-UHFFFAOYSA-N 0 0 300.749 3.333 10 30 DGEERN C=CCC1(NC(=O)[C@H](C)NC(=O)c2ccccc2)CCCCC1 ZINC000456383459 433633192 /nfs/dbraw/zinc/63/31/92/433633192.db2.gz PFFJYTLAWUJGNZ-HNNXBMFYSA-N 0 0 314.429 3.200 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162070866 292846482 /nfs/dbraw/zinc/84/64/82/292846482.db2.gz XKCHBDXQBKWMNY-UHFFFAOYSA-N 0 0 321.336 3.368 10 30 DGEERN C=C(C)CNC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000427045189 433640783 /nfs/dbraw/zinc/64/07/83/433640783.db2.gz KVRHIVLOVMPFQQ-UHFFFAOYSA-N 0 0 316.401 3.029 10 30 DGEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000293177242 433645761 /nfs/dbraw/zinc/64/57/61/433645761.db2.gz AIHBHPFYBWVEKX-UHFFFAOYSA-N 0 0 324.371 3.455 10 30 DGEERN CN(Cc1ccc(Cl)cc1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000301623725 433646766 /nfs/dbraw/zinc/64/67/66/433646766.db2.gz GIUWZWMYSWTCFH-UHFFFAOYSA-N 0 0 302.721 3.151 10 30 DGEERN C=CCOc1ccc(CC(=O)NCc2csc(CC)n2)cc1 ZINC000448931685 433619833 /nfs/dbraw/zinc/61/98/33/433619833.db2.gz DDOPSCDDLVNRLS-UHFFFAOYSA-N 0 0 316.426 3.129 10 30 DGEERN C=CCn1c(C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000282637869 433621722 /nfs/dbraw/zinc/62/17/22/433621722.db2.gz PNVHDHMXDDJNAS-OAHLLOKOSA-N 0 0 318.808 3.004 10 30 DGEERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000448940475 433621986 /nfs/dbraw/zinc/62/19/86/433621986.db2.gz GZWOLVSNJAFBGK-AWEZNQCLSA-N 0 0 307.397 3.338 10 30 DGEERN N#Cc1nc(N2CCO[C@H](c3cccs3)C2)ccc1Cl ZINC000301657578 433662049 /nfs/dbraw/zinc/66/20/49/433662049.db2.gz LPQJSMTUNSFCTR-LBPRGKRZSA-N 0 0 305.790 3.246 10 30 DGEERN C[C@@H](Nc1cccc(F)c1C#N)c1cn(-c2ccccc2)nn1 ZINC000301674414 433670845 /nfs/dbraw/zinc/67/08/45/433670845.db2.gz RRPUIJWUQZZPOA-GFCCVEGCSA-N 0 0 307.332 3.451 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](c2ccccc2)C2CCOCC2)n1 ZINC000376176019 433685957 /nfs/dbraw/zinc/68/59/57/433685957.db2.gz YTYOQRUIUPPYJB-KRWDZBQOSA-N 0 0 308.385 3.237 10 30 DGEERN N#Cc1cc(NCc2nnc3n2CCCCC3)c2ccccc2n1 ZINC000301731760 433699017 /nfs/dbraw/zinc/69/90/17/433699017.db2.gz PLYOHXOBFBMBCL-UHFFFAOYSA-N 0 0 318.384 3.036 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1oc(C(C)C)nc1C ZINC000293337182 433706433 /nfs/dbraw/zinc/70/64/33/433706433.db2.gz XBEHAVUELKCRFC-INIZCTEOSA-N 0 0 310.397 3.471 10 30 DGEERN Cc1cc(Sc2nc3nc(C)c(C)c(C)n3n2)c(C#N)c(C)n1 ZINC000301772655 433714564 /nfs/dbraw/zinc/71/45/64/433714564.db2.gz JVDSKXHGZFRVJA-UHFFFAOYSA-N 0 0 324.413 3.084 10 30 DGEERN Cc1cc(NCc2ccc(Cn3ccnc3)cc2)c(C#N)c(C)n1 ZINC000301772648 433714631 /nfs/dbraw/zinc/71/46/31/433714631.db2.gz JUKFKRYBKWHLFF-UHFFFAOYSA-N 0 0 317.396 3.427 10 30 DGEERN CCCNC(=O)c1cccc(CNc2cc(C)nc(C)c2C#N)c1 ZINC000301771317 433715239 /nfs/dbraw/zinc/71/52/39/433715239.db2.gz JFBYKZSCXIMXFV-UHFFFAOYSA-N 0 0 322.412 3.322 10 30 DGEERN Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)c(C#N)c(C)n1 ZINC000301771925 433715741 /nfs/dbraw/zinc/71/57/41/433715741.db2.gz JLYCOJAIIWVREZ-UHFFFAOYSA-N 0 0 311.345 3.002 10 30 DGEERN Cc1cc(NCCCc2nc3ccccc3[nH]2)c(C#N)c(C)n1 ZINC000301776786 433718555 /nfs/dbraw/zinc/71/85/55/433718555.db2.gz LODRBPVMBKVRRN-UHFFFAOYSA-N 0 0 305.385 3.491 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000362526744 433736424 /nfs/dbraw/zinc/73/64/24/433736424.db2.gz URKGKAIZXBLPIP-UHFFFAOYSA-N 0 0 307.353 3.102 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376502203 433758680 /nfs/dbraw/zinc/75/86/80/433758680.db2.gz OQIDSSFXSWYUSU-OAHLLOKOSA-N 0 0 319.424 3.402 10 30 DGEERN Cn1c(Sc2cccc(C#N)n2)nnc1-c1ccccc1F ZINC000301860183 433761654 /nfs/dbraw/zinc/76/16/54/433761654.db2.gz SWSZGAHFBFVLKR-UHFFFAOYSA-N 0 0 311.345 3.039 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccccc2)nn1C ZINC000449826564 433823452 /nfs/dbraw/zinc/82/34/52/433823452.db2.gz SEJLEAGIMCYTRY-GOSISDBHSA-N 0 0 310.401 3.145 10 30 DGEERN Cc1c([C@@H](C)Nc2ccc(C#N)nn2)cnn1-c1ccc(F)cc1 ZINC000301914061 433792627 /nfs/dbraw/zinc/79/26/27/433792627.db2.gz HYVRJGFGKRQDSE-LLVKDONJSA-N 0 0 322.347 3.155 10 30 DGEERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000356968064 433792639 /nfs/dbraw/zinc/79/26/39/433792639.db2.gz GGEZNIMSUXMESD-UHFFFAOYSA-N 0 0 319.386 3.083 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000356971397 433793599 /nfs/dbraw/zinc/79/35/99/433793599.db2.gz JXVUGIWHEGWIMY-OLZOCXBDSA-N 0 0 304.340 3.221 10 30 DGEERN C=CC[C@@H](CO)Nc1ccnc2ccc(Br)cc21 ZINC000302139616 433812434 /nfs/dbraw/zinc/81/24/34/433812434.db2.gz OHPNDVAUCZVJFA-NSHDSACASA-N 0 0 307.191 3.346 10 30 DGEERN C=CCO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000302140719 433813080 /nfs/dbraw/zinc/81/30/80/433813080.db2.gz JGEGKMNSSCHLDQ-LLVKDONJSA-N 0 0 316.279 3.395 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000456783082 433825431 /nfs/dbraw/zinc/82/54/31/433825431.db2.gz VOWDZIIMYKTJDQ-OAHLLOKOSA-N 0 0 314.429 3.354 10 30 DGEERN Cc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1C#N ZINC000302662812 433829864 /nfs/dbraw/zinc/82/98/64/433829864.db2.gz PJAFWHHPJNBUMV-OAHLLOKOSA-N 0 0 322.412 3.271 10 30 DGEERN COCCN(C[C@@H]1CC=CCC1)c1snc(Cl)c1C#N ZINC000302712772 433837454 /nfs/dbraw/zinc/83/74/54/433837454.db2.gz IJXZTRHKFNSWPQ-LLVKDONJSA-N 0 0 311.838 3.477 10 30 DGEERN CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(Cl)s1 ZINC000449863202 433841158 /nfs/dbraw/zinc/84/11/58/433841158.db2.gz DLDMDPRKZKZSAK-SNVBAGLBSA-N 0 0 307.806 3.493 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000376935279 433841571 /nfs/dbraw/zinc/84/15/71/433841571.db2.gz YPWPCYFOIFCWSZ-MRXNPFEDSA-N 0 0 313.372 3.207 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1ncnc2cc(Cl)ccc21 ZINC000435588802 433877700 /nfs/dbraw/zinc/87/77/00/433877700.db2.gz MVUFFUUMRCLVFJ-ABAIWWIYSA-N 0 0 303.793 3.676 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000376929276 433842321 /nfs/dbraw/zinc/84/23/21/433842321.db2.gz CQQQNWAMXDIOJR-FQEVSTJZSA-N 0 0 316.404 3.258 10 30 DGEERN C#CCSCCNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000284126671 433842944 /nfs/dbraw/zinc/84/29/44/433842944.db2.gz VHMMBYXXWMXUEG-AWEZNQCLSA-N 0 0 317.454 3.111 10 30 DGEERN C[C@]1(c2ccccc2)CC[C@H](N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000377011096 433843352 /nfs/dbraw/zinc/84/33/52/433843352.db2.gz XLUMUUAURPXXPN-ZCNNSNEGSA-N 0 0 309.457 3.169 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434057777 433856615 /nfs/dbraw/zinc/85/66/15/433856615.db2.gz FVDSIIWITJRWGJ-UHFFFAOYSA-N 0 0 301.321 3.687 10 30 DGEERN C=CC1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434059103 433857934 /nfs/dbraw/zinc/85/79/34/433857934.db2.gz XITHDBHMIWJVDU-UHFFFAOYSA-N 0 0 315.348 3.911 10 30 DGEERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)n1C ZINC000449965519 433895517 /nfs/dbraw/zinc/89/55/17/433895517.db2.gz DEMVNHQGQMJGEJ-MRXNPFEDSA-N 0 0 309.413 3.299 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1 ZINC000284696252 433902980 /nfs/dbraw/zinc/90/29/80/433902980.db2.gz OBRHGWRFQDDJFM-CQSZACIVSA-N 0 0 313.401 3.481 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000450000075 433917873 /nfs/dbraw/zinc/91/78/73/433917873.db2.gz RGTCLSGVZSSZSA-UKMLZYKCSA-N 0 0 303.402 3.479 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000285382520 433932173 /nfs/dbraw/zinc/93/21/73/433932173.db2.gz LBGKNQLAISPEST-UONOGXRCSA-N 0 0 323.458 3.260 10 30 DGEERN COc1cccc2c1CCN(c1cc(C(C)=O)ccc1C#N)CC2 ZINC000362849671 433884472 /nfs/dbraw/zinc/88/44/72/433884472.db2.gz HGEQUOKZHCWDJP-UHFFFAOYSA-N 0 0 320.392 3.375 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@@](C)(O)CCC(C)C)cc1 ZINC000449960950 433893002 /nfs/dbraw/zinc/89/30/02/433893002.db2.gz SFIVCYMIRKHQTQ-IBGZPJMESA-N 0 0 319.445 3.097 10 30 DGEERN COc1cc(NC(=O)Nc2ccc(F)c(C#N)c2)ccc1O ZINC000436353994 433945133 /nfs/dbraw/zinc/94/51/33/433945133.db2.gz AQKBNWUSTWHGQG-UHFFFAOYSA-N 0 0 301.277 3.056 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000436358853 433946743 /nfs/dbraw/zinc/94/67/43/433946743.db2.gz CMXNMPAYAWUZNS-KMFMINBZSA-N 0 0 318.417 3.497 10 30 DGEERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C#N)n1C ZINC000450062299 433950190 /nfs/dbraw/zinc/95/01/90/433950190.db2.gz TXYLLWGJJCOYHQ-DIFFPNOSSA-N 0 0 311.360 3.089 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1sc(CC)nc1C ZINC000436378875 433953700 /nfs/dbraw/zinc/95/37/00/433953700.db2.gz NRXFNKADHWTZTG-DGCLKSJQSA-N 0 0 309.435 3.117 10 30 DGEERN C=CC(C)(C)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000450081122 433959789 /nfs/dbraw/zinc/95/97/89/433959789.db2.gz JHGJENWFIHUNKA-HNNXBMFYSA-N 0 0 317.429 3.239 10 30 DGEERN N#C[C@H](NC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 ZINC000357357622 433969752 /nfs/dbraw/zinc/96/97/52/433969752.db2.gz RATSYUDOEBFASG-AWEZNQCLSA-N 0 0 320.270 3.406 10 30 DGEERN C=CCc1ccc(OCc2nc(-c3ccon3)no2)c(OC)c1 ZINC000357381956 433978799 /nfs/dbraw/zinc/97/87/99/433978799.db2.gz VKLGAWUPTFDXDW-UHFFFAOYSA-N 0 0 313.313 3.041 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000357377225 433981574 /nfs/dbraw/zinc/98/15/74/433981574.db2.gz PJCDVGMVVWOFSH-ZENOOKHLSA-N 0 0 320.458 3.158 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000377762601 433983384 /nfs/dbraw/zinc/98/33/84/433983384.db2.gz PZWNRPMRRGHLKI-CQSZACIVSA-N 0 0 304.390 3.126 10 30 DGEERN CC(=O)Nc1ccc(C)c(C(=O)N[C@@](C)(C#N)CC(C)C)c1 ZINC000436315825 433939961 /nfs/dbraw/zinc/93/99/61/433939961.db2.gz QJQBWGHKSSVABW-QGZVFWFLSA-N 0 0 301.390 3.012 10 30 DGEERN C#CCCCNC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000363270731 434009674 /nfs/dbraw/zinc/00/96/74/434009674.db2.gz CKEFIPLIPGRUMM-UHFFFAOYSA-N 0 0 320.299 3.209 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000285691257 434040212 /nfs/dbraw/zinc/04/02/12/434040212.db2.gz KPSAAXZOOVGXSQ-LLVKDONJSA-N 0 0 318.348 3.020 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC000285957467 434118677 /nfs/dbraw/zinc/11/86/77/434118677.db2.gz VSRJQQJURJTOOL-OTWHNJEPSA-N 0 0 313.441 3.333 10 30 DGEERN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)ccn1 ZINC000285996257 434131070 /nfs/dbraw/zinc/13/10/70/434131070.db2.gz CZYZYRXWMTZCON-GUDVDZBRSA-N 0 0 317.392 3.362 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)o1 ZINC000416634098 434147815 /nfs/dbraw/zinc/14/78/15/434147815.db2.gz NLLAAXCIIZVFQQ-OAHLLOKOSA-N 0 0 305.399 3.054 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000450427985 434171403 /nfs/dbraw/zinc/17/14/03/434171403.db2.gz UNIWATAMQLBDFI-SNPRPXQTSA-N 0 0 321.804 3.261 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CC1CC(OC(C)(C)C)C1 ZINC000437501155 434273740 /nfs/dbraw/zinc/27/37/40/434273740.db2.gz SEZHSAVELFMQNR-BJDYSFLHSA-N 0 0 309.450 3.068 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000286636872 434281145 /nfs/dbraw/zinc/28/11/45/434281145.db2.gz DCQSLPDBDRSFCC-AZUAARDMSA-N 0 0 319.404 3.051 10 30 DGEERN CC(=O)Nc1ccn([C@H]2CCN(c3nc4ccccc4o3)C2)n1 ZINC000328614614 434286807 /nfs/dbraw/zinc/28/68/07/434286807.db2.gz WIVKXTRAFWUPBE-LBPRGKRZSA-N 0 0 311.345 3.084 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1c3ccccc3C[C@H]1C)CCC2 ZINC000328653867 434295651 /nfs/dbraw/zinc/29/56/51/434295651.db2.gz CKUMNEBIBWTOKQ-ZBFHGGJFSA-N 0 0 324.428 3.434 10 30 DGEERN C#CCCCC(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000365401696 434298664 /nfs/dbraw/zinc/29/86/64/434298664.db2.gz GLXJCVBYFARVMF-JYJNAYRXSA-N 0 0 319.445 3.291 10 30 DGEERN C#CCCCNC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000365656223 434306081 /nfs/dbraw/zinc/30/60/81/434306081.db2.gz COBNVLHCWRRGCF-UHFFFAOYSA-N 0 0 306.450 3.169 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](OC)c1ccccc1 ZINC000287164267 434307605 /nfs/dbraw/zinc/30/76/05/434307605.db2.gz GRZPLKWVENQTET-MOPGFXCFSA-N 0 0 307.393 3.125 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CSC ZINC000287195042 434307815 /nfs/dbraw/zinc/30/78/15/434307815.db2.gz DFNNCDYYUCTFCL-IRXDYDNUSA-N 0 0 316.470 3.158 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCSCC1 ZINC000287221614 434310012 /nfs/dbraw/zinc/31/00/12/434310012.db2.gz FMHGXZOKUCYEPM-KRWDZBQOSA-N 0 0 316.470 3.063 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccnc2c1nnn2C ZINC000328804446 434313185 /nfs/dbraw/zinc/31/31/85/434313185.db2.gz MYHFVMARQMBJHY-YRGRVCCFSA-N 0 0 315.421 3.129 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295340069 434317420 /nfs/dbraw/zinc/31/74/20/434317420.db2.gz NJIYXXJQTYUTQK-PXNSSMCTSA-N 0 0 306.409 3.211 10 30 DGEERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328890048 434324943 /nfs/dbraw/zinc/32/49/43/434324943.db2.gz RKBQYNRAWXDSAE-MJEQTWJJSA-N 0 0 315.417 3.457 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)CC(F)F ZINC000457817286 434361214 /nfs/dbraw/zinc/36/12/14/434361214.db2.gz XNESVPWNLITAIY-GFCCVEGCSA-N 0 0 315.360 3.358 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000437927069 434369233 /nfs/dbraw/zinc/36/92/33/434369233.db2.gz BWSBKLWKWRHCHX-XJNFIJBJSA-N 0 0 318.461 3.188 10 30 DGEERN C=CC(C)(C)CNc1cc(Br)cc(F)c1C(N)=O ZINC000450725129 434371965 /nfs/dbraw/zinc/37/19/65/434371965.db2.gz BWVUEKOVHMVMBW-UHFFFAOYSA-N 0 0 315.186 3.311 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000437938634 434373165 /nfs/dbraw/zinc/37/31/65/434373165.db2.gz YJKQLKKZHUKIPZ-HZPDHXFCSA-N 0 0 306.450 3.333 10 30 DGEERN CCO[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C ZINC000450742253 434377618 /nfs/dbraw/zinc/37/76/18/434377618.db2.gz ANXRFSYXHAZJIU-JQWIXIFHSA-N 0 0 313.323 3.223 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)N(C)CC(C)(C)C#N ZINC000457862331 434380366 /nfs/dbraw/zinc/38/03/66/434380366.db2.gz PFXIOEXFTOUTRK-UHFFFAOYSA-N 0 0 309.797 3.040 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC ZINC000438017320 434382763 /nfs/dbraw/zinc/38/27/63/434382763.db2.gz UNTLTHDBGSWJLH-UHOSZYNNSA-N 0 0 317.429 3.070 10 30 DGEERN C=CCCCCCCNC(=O)N1CC=C(c2ccnn2C)CC1 ZINC000287390942 434349701 /nfs/dbraw/zinc/34/97/01/434349701.db2.gz PBPYEXCZFCQSSA-UHFFFAOYSA-N 0 0 316.449 3.355 10 30 DGEERN C[C@@H]1CC[C@@]2(CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342597 434392149 /nfs/dbraw/zinc/39/21/49/434392149.db2.gz OOLWVZVKEYFOPM-MOXGXCLJSA-N 0 0 321.424 3.279 10 30 DGEERN COc1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1O ZINC000438082222 434400564 /nfs/dbraw/zinc/40/05/64/434400564.db2.gz QTYIDCGYMDPSSK-UHFFFAOYSA-N 0 0 314.366 3.003 10 30 DGEERN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C#N)n1C)[C@H]2C ZINC000450780151 434404869 /nfs/dbraw/zinc/40/48/69/434404869.db2.gz PYDFTHQHZXGIAW-OLZOCXBDSA-N 0 0 323.396 3.053 10 30 DGEERN Cc1noc(C)c1NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329439404 434408285 /nfs/dbraw/zinc/40/82/85/434408285.db2.gz MPYSFCIBXAZXAF-CQSZACIVSA-N 0 0 307.394 3.118 10 30 DGEERN N#CC1(C(=O)N2CCO[C@H](C3CCCCC3)C2)CCCCC1 ZINC000329460224 434416621 /nfs/dbraw/zinc/41/66/21/434416621.db2.gz RUWHPXRZRMDEAG-INIZCTEOSA-N 0 0 304.434 3.268 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC[C@H]1CC1(C)C)C2 ZINC000329471065 434416696 /nfs/dbraw/zinc/41/66/96/434416696.db2.gz ZGGMPLARVRRFBD-OLZOCXBDSA-N 0 0 318.465 3.045 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCCCCCc1ccc(F)cc1 ZINC000450803520 434417521 /nfs/dbraw/zinc/41/75/21/434417521.db2.gz KRMGDZIPARCGGG-UHFFFAOYSA-N 0 0 313.376 3.179 10 30 DGEERN N#Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000359473506 434417892 /nfs/dbraw/zinc/41/78/92/434417892.db2.gz MRONSEVPUNONTB-CQSZACIVSA-N 0 0 316.744 3.098 10 30 DGEERN C=CCC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)c1ccccc1 ZINC000295620480 434422339 /nfs/dbraw/zinc/42/23/39/434422339.db2.gz ZTRQRMIJTIQDCC-BZSNNMDCSA-N 0 0 317.429 3.252 10 30 DGEERN CC(C)n1ncc2c1C[C@@H](NC(=O)COC1CCCC1)CC2 ZINC000329527457 434426568 /nfs/dbraw/zinc/42/65/68/434426568.db2.gz SBTLSYDEBOFFHU-AWEZNQCLSA-N 0 0 305.422 3.237 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000417620924 434470114 /nfs/dbraw/zinc/47/01/14/434470114.db2.gz DLZZSPCQFFRCRC-NSHDSACASA-N 0 0 303.280 3.094 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000417635008 434480247 /nfs/dbraw/zinc/48/02/47/434480247.db2.gz ZYOIWRATUWNVJO-CQSZACIVSA-N 0 0 319.792 3.035 10 30 DGEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329850866 434492826 /nfs/dbraw/zinc/49/28/26/434492826.db2.gz ZZDDOTKFERZTFU-KFWWJZLASA-N 0 0 307.438 3.059 10 30 DGEERN C=CCCCN(C)c1nnc([C@H]2CCCCO2)n1CC(=C)C ZINC000296056568 434493864 /nfs/dbraw/zinc/49/38/64/434493864.db2.gz RQKTUTQOKWBYQG-OAHLLOKOSA-N 0 0 304.438 3.498 10 30 DGEERN C=CCCCCNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000366737238 434498881 /nfs/dbraw/zinc/49/88/81/434498881.db2.gz PXEQRICYHDJRDX-SJORKVTESA-N 0 0 302.418 3.420 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1CC ZINC000438611738 434520394 /nfs/dbraw/zinc/52/03/94/434520394.db2.gz PBHJFJPGBKEZRX-UKRRQHHQSA-N 0 0 303.362 3.091 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367236891 434543648 /nfs/dbraw/zinc/54/36/48/434543648.db2.gz JEZOEPKTJSGUOR-LJQANCHMSA-N 0 0 316.445 3.078 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367324206 434544828 /nfs/dbraw/zinc/54/48/28/434544828.db2.gz JSQJXKMLQIFFQQ-HXUWFJFHSA-N 0 0 313.441 3.308 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000367490348 434547859 /nfs/dbraw/zinc/54/78/59/434547859.db2.gz NZZPSSUBYSYOIO-UHFFFAOYSA-N 0 0 322.452 3.121 10 30 DGEERN C#C[C@@H](C)NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000367840469 434558560 /nfs/dbraw/zinc/55/85/60/434558560.db2.gz BATBKJVKGGICCU-WBMJQRKESA-N 0 0 306.356 3.280 10 30 DGEERN Cn1cc([C@@H]2CCCCN2c2ncc(C#N)cc2Cl)cn1 ZINC000408454732 434579560 /nfs/dbraw/zinc/57/95/60/434579560.db2.gz BRYSUIDBZWLEIQ-AWEZNQCLSA-N 0 0 301.781 3.072 10 30 DGEERN CC(C)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000369220285 434591914 /nfs/dbraw/zinc/59/19/14/434591914.db2.gz RWSAXMDTWLDZST-QGZVFWFLSA-N 0 0 312.417 3.014 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@H](OCc2ccccc2F)C1 ZINC000369295960 434594043 /nfs/dbraw/zinc/59/40/43/434594043.db2.gz ZTDDHIBEJKHVKF-WBVHZDCISA-N 0 0 315.392 3.250 10 30 DGEERN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330073509 295385822 /nfs/dbraw/zinc/38/58/22/295385822.db2.gz KOHORYLHDXEVLO-DODZYUBVSA-N 0 0 320.477 3.496 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1noc(CCC)n1 ZINC000424090088 434619075 /nfs/dbraw/zinc/61/90/75/434619075.db2.gz LXNWSPQRGDUAQJ-UHFFFAOYSA-N 0 0 303.318 3.238 10 30 DGEERN C=CCn1c(SC[C@H](OC)C2CC2)nnc1-c1cccnc1 ZINC000424095901 434620609 /nfs/dbraw/zinc/62/06/09/434620609.db2.gz XDLJKYWHOHMUSF-AWEZNQCLSA-N 0 0 316.430 3.043 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000424122411 434629147 /nfs/dbraw/zinc/62/91/47/434629147.db2.gz IVSMPSDCOYZBIK-AVGNSLFASA-N 0 0 324.519 3.362 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000410074326 434632631 /nfs/dbraw/zinc/63/26/31/434632631.db2.gz WZJYNSGCQPNXTP-AWEZNQCLSA-N 0 0 300.402 3.132 10 30 DGEERN C=C(C)CCNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000452722483 434692004 /nfs/dbraw/zinc/69/20/04/434692004.db2.gz KAZBJMUSLLNUHA-UHFFFAOYSA-N 0 0 311.307 3.138 10 30 DGEERN N#Cc1cc(F)c(NCC[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000360783156 434693611 /nfs/dbraw/zinc/69/36/11/434693611.db2.gz SDWGBESWHRSVRX-GFCCVEGCSA-N 0 0 316.307 3.478 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439898153 434658278 /nfs/dbraw/zinc/65/82/78/434658278.db2.gz TUXWDSMFHLLKQM-HZPDHXFCSA-N 0 0 315.413 3.140 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439898154 434659212 /nfs/dbraw/zinc/65/92/12/434659212.db2.gz TUXWDSMFHLLKQM-JKSUJKDBSA-N 0 0 315.413 3.140 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000371240429 434660485 /nfs/dbraw/zinc/66/04/85/434660485.db2.gz UPTBCEPUUWIIFQ-AEFFLSMTSA-N 0 0 312.413 3.220 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CCCCC1 ZINC000410621511 434660975 /nfs/dbraw/zinc/66/09/75/434660975.db2.gz UCEYTXMPZROZHR-YESZJQIVSA-N 0 0 321.461 3.308 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC[C@H](OC)C1 ZINC000424260691 434669275 /nfs/dbraw/zinc/66/92/75/434669275.db2.gz ZEUCQAAGCHIJIB-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OCCOC)cc2)CCOCC1 ZINC000424585842 434749198 /nfs/dbraw/zinc/74/91/98/434749198.db2.gz QWKYJZKZQBRYKA-UHFFFAOYSA-N 0 0 319.401 3.023 10 30 DGEERN C=CCOCCCC(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000371806621 434753627 /nfs/dbraw/zinc/75/36/27/434753627.db2.gz IFHHWNKAYGSSMO-UHFFFAOYSA-N 0 0 316.445 3.017 10 30 DGEERN C=CCCn1cc(-c2nc([C@H](C)c3ccc(C)cc3)no2)nn1 ZINC000424348248 434708285 /nfs/dbraw/zinc/70/82/85/434708285.db2.gz NRPRJPMEIGLHPF-CYBMUJFWSA-N 0 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CCC[C@@H](C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000522584314 434925553 /nfs/dbraw/zinc/92/55/53/434925553.db2.gz PCGHCOMNWULRGS-VIFPVBQESA-N 0 0 301.173 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC000527986757 435018866 /nfs/dbraw/zinc/01/88/66/435018866.db2.gz XPHNGSSUKVWBPJ-IKGGRYGDSA-N 0 0 302.418 3.335 10 30 DGEERN C=C[C@H](C)NC(=O)NCc1c(C)cc(Br)cc1C ZINC000465225056 435022203 /nfs/dbraw/zinc/02/22/03/435022203.db2.gz OLFSZWOIUCNUFG-NSHDSACASA-N 0 0 311.223 3.440 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1OC(F)F ZINC000575385425 435034173 /nfs/dbraw/zinc/03/41/73/435034173.db2.gz PUKVPDGXWVCTIU-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1OC(F)(F)F ZINC000575345237 435030490 /nfs/dbraw/zinc/03/04/90/435030490.db2.gz LZINRZAXNRVVEO-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN COC(=O)Cc1ccc(C(F)F)c(OC(F)(F)F)c1C#N ZINC000575387001 435034362 /nfs/dbraw/zinc/03/43/62/435034362.db2.gz BLXRFHRFQXSMMD-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1c(OC(F)F)cc(C#N)cc1C(F)F ZINC000575385353 435034453 /nfs/dbraw/zinc/03/44/53/435034453.db2.gz MFOXQGJHEWJZRX-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCc1ccc(C#N)c(CC(=O)OC)c1SC(F)(F)F ZINC000575389169 435034521 /nfs/dbraw/zinc/03/45/21/435034521.db2.gz BIAOSQHKSDJJAM-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CN(C(=O)Nc1ccn(CCC#N)n1)c1cccc2ccccc21 ZINC000555842085 434988875 /nfs/dbraw/zinc/98/88/75/434988875.db2.gz JTNCCOJLBABWBU-UHFFFAOYSA-N 0 0 319.368 3.618 10 30 DGEERN COC(=O)Cc1cc(Br)c(C#N)cc1C(F)(F)F ZINC000575383979 435034628 /nfs/dbraw/zinc/03/46/28/435034628.db2.gz XSGWSDJIDFRXDL-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN C=C[C@H](CC(=O)N1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000574918407 435005414 /nfs/dbraw/zinc/00/54/14/435005414.db2.gz MDYNANVRLVCXEH-CRAIPNDOSA-N 0 0 317.454 3.081 10 30 DGEERN C=CCCCN(C)c1nnc(CCC(C)C)n1C[C@@H]1CCCO1 ZINC000575129983 435006222 /nfs/dbraw/zinc/00/62/22/435006222.db2.gz GKASECCJQUENGQ-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN COC(=O)c1cc(Br)cc(C#N)c1C(F)(F)F ZINC000575383864 435033248 /nfs/dbraw/zinc/03/32/48/435033248.db2.gz OEMNXQVGXVNGQS-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCc1ccc(CC(=O)OC)c(SC(F)(F)F)c1C#N ZINC000575389601 435034124 /nfs/dbraw/zinc/03/41/24/435034124.db2.gz LXJGEZNTPFJBQG-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(C2CC2)cc1 ZINC000577581335 435060386 /nfs/dbraw/zinc/06/03/86/435060386.db2.gz CGMIGOUYVGCBKQ-SJORKVTESA-N 0 0 300.402 3.097 10 30 DGEERN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC ZINC000577966531 435062218 /nfs/dbraw/zinc/06/22/18/435062218.db2.gz RJPXOYOOBKDPHT-UHFFFAOYSA-N 0 0 309.417 3.382 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1Nc1cccc(OC)c1 ZINC000578177478 435065563 /nfs/dbraw/zinc/06/55/63/435065563.db2.gz TUBDAIVKHDPBOB-UHFFFAOYSA-N 0 0 324.384 3.595 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)nn1C1CCCCC1 ZINC000578208680 435068385 /nfs/dbraw/zinc/06/83/85/435068385.db2.gz DGVHBRQKBFFOJJ-UHFFFAOYSA-N 0 0 309.373 3.216 10 30 DGEERN COCCCOc1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000531145626 435074297 /nfs/dbraw/zinc/07/42/97/435074297.db2.gz RHIKVTIKFUDVFD-UHFFFAOYSA-N 0 0 324.380 3.155 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000466386773 435074477 /nfs/dbraw/zinc/07/44/77/435074477.db2.gz SBWCGRHLJNAMBB-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN CC#CCCCC(=O)N(CC)[C@H](COC)Cc1ccccc1 ZINC000466422474 435076109 /nfs/dbraw/zinc/07/61/09/435076109.db2.gz UIGMSYLVJXVPLE-SFHVURJKSA-N 0 0 301.430 3.286 10 30 DGEERN Cc1c(CNC(=O)Cc2cccc(C#N)c2)oc2ccccc12 ZINC000531393032 435091088 /nfs/dbraw/zinc/09/10/88/435091088.db2.gz PTIKRPHXYZSHRU-UHFFFAOYSA-N 0 0 304.349 3.472 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558151507 435079076 /nfs/dbraw/zinc/07/90/76/435079076.db2.gz RJWWKXFYTKYZPP-GFCCVEGCSA-N 0 0 315.373 3.337 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(C(F)F)cc1OC(F)F ZINC000575385349 435034716 /nfs/dbraw/zinc/03/47/16/435034716.db2.gz MCAVAPCGCMBBTC-UHFFFAOYSA-N 0 0 305.227 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/nfs/dbraw/zinc/04/20/55/435042055.db2.gz MONVHHYQGLGREH-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CCCCC1 ZINC000530062519 435043296 /nfs/dbraw/zinc/04/32/96/435043296.db2.gz DXGWWCIJMFJTBI-LRAJWGHMSA-N 0 0 309.475 3.025 10 30 DGEERN CCOc1c(CC)cc(I)cc1CC#N ZINC000575694103 435045191 /nfs/dbraw/zinc/04/51/91/435045191.db2.gz BPSXERSJQXINGN-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN Cc1c(Br)ccc(I)c1C#N ZINC000575693357 435045801 /nfs/dbraw/zinc/04/58/01/435045801.db2.gz QPUZRRDRDGPTQS-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CO[C@H]1CC[C@@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000530521112 435046175 /nfs/dbraw/zinc/04/61/75/435046175.db2.gz QUQZOKPNKPTCAT-UXHICEINSA-N 0 0 319.404 3.384 10 30 DGEERN N#CCc1c(Br)ccc(Br)c1[N+](=O)[O-] ZINC000575695827 435046554 /nfs/dbraw/zinc/04/65/54/435046554.db2.gz YEDGAEKBWAZTFW-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](COCC)C1 ZINC000575765510 435051884 /nfs/dbraw/zinc/05/18/84/435051884.db2.gz VKGWXGUBUJVEGO-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000575863364 435052927 /nfs/dbraw/zinc/05/29/27/435052927.db2.gz ICVJQBCQQWFVGA-RDBSUJKOSA-N 0 0 316.392 3.092 10 30 DGEERN C=CCN(C(=O)[C@@H](C)CC(=C)C)c1nc(C(=O)OCC)cs1 ZINC000466862693 435096732 /nfs/dbraw/zinc/09/67/32/435096732.db2.gz WKFFLMCSNQANBC-LBPRGKRZSA-N 0 0 322.430 3.441 10 30 DGEERN C=C(C)COCCNC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000475423736 435197840 /nfs/dbraw/zinc/19/78/40/435197840.db2.gz QCKMZCHQRNWHGA-UHFFFAOYSA-N 0 0 322.836 3.117 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2COc3ccc(Cl)cc32)c1 ZINC000532399872 435164647 /nfs/dbraw/zinc/16/46/47/435164647.db2.gz ZWBAXYOMDBUPNS-HNNXBMFYSA-N 0 0 312.756 3.004 10 30 DGEERN C=CCOc1ccc(CN[C@@H](C(=O)OC)c2cccs2)cc1 ZINC000475135141 435180735 /nfs/dbraw/zinc/18/07/35/435180735.db2.gz CUPHZQPUHSYIRG-MRXNPFEDSA-N 0 0 317.410 3.317 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC(C)C1 ZINC000475946652 435216502 /nfs/dbraw/zinc/21/65/02/435216502.db2.gz OPJMSMNWHDHNJN-UHFFFAOYSA-N 0 0 303.362 3.091 10 30 DGEERN C=CCC1(CNC(=O)c2cnn3c2C[C@H](C)CC3)CCCC1 ZINC000580195320 435212237 /nfs/dbraw/zinc/21/22/37/435212237.db2.gz UGGDXJWSJNEDJD-CQSZACIVSA-N 0 0 301.434 3.332 10 30 DGEERN C=C(C)[C@H](CC(=O)NC[C@H]1CSc2ccccc2O1)OCC ZINC000580648350 435237329 /nfs/dbraw/zinc/23/73/29/435237329.db2.gz GCVXZUCQAFYKET-ZFWWWQNUSA-N 0 0 321.442 3.027 10 30 DGEERN CC1CC(C#N)(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000533506429 435239645 /nfs/dbraw/zinc/23/96/45/435239645.db2.gz HVPBPTCYENRWGH-UHFFFAOYSA-N 0 0 322.290 3.460 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C3CCCCC3)[nH]n2)CCOCC1 ZINC000582900589 435241472 /nfs/dbraw/zinc/24/14/72/435241472.db2.gz QSUSHILXLNUURM-UHFFFAOYSA-N 0 0 317.433 3.769 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)C[C@H]1C ZINC000562033221 435248858 /nfs/dbraw/zinc/24/88/58/435248858.db2.gz RVRDERCHQATIJL-CHWSQXEVSA-N 0 0 302.447 3.351 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000562033224 435248625 /nfs/dbraw/zinc/24/86/25/435248625.db2.gz RVRDERCHQATIJL-STQMWFEESA-N 0 0 302.447 3.351 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2cccnc2)s1 ZINC000534156200 435267196 /nfs/dbraw/zinc/26/71/96/435267196.db2.gz PBMXITWVSSZCPX-INIZCTEOSA-N 0 0 314.414 3.263 10 30 DGEERN CC#CCNC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000534244528 435272096 /nfs/dbraw/zinc/27/20/96/435272096.db2.gz SVHAMWBRCDZATP-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCC[C@H]21 ZINC000564758573 435273638 /nfs/dbraw/zinc/27/36/38/435273638.db2.gz HBASPZILARRSDA-UKRRQHHQSA-N 0 0 310.401 3.128 10 30 DGEERN CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000507503437 435309187 /nfs/dbraw/zinc/30/91/87/435309187.db2.gz WGJGZPUGPFYCII-TZMCWYRMSA-N 0 0 324.421 3.190 10 30 DGEERN C=CCCCCCNC(=O)CCc1nc(-c2ccco2)no1 ZINC000566421224 435286600 /nfs/dbraw/zinc/28/66/00/435286600.db2.gz WOBGBZWOJBKITC-UHFFFAOYSA-N 0 0 303.362 3.125 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000478005456 435287738 /nfs/dbraw/zinc/28/77/38/435287738.db2.gz RKKRBHSIRKNIRV-FHLIZLRMSA-N 0 0 309.413 3.447 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000562622972 435262811 /nfs/dbraw/zinc/26/28/11/435262811.db2.gz AXRBIUFPWBCTSI-HNNXBMFYSA-N 0 0 310.344 3.014 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000535322758 435326343 /nfs/dbraw/zinc/32/63/43/435326343.db2.gz VFFSKVATEHGAMZ-VIFPVBQESA-N 0 0 303.328 3.097 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2ncsc2c1 ZINC000567735820 435349426 /nfs/dbraw/zinc/34/94/26/435349426.db2.gz WEMOTYMFCVFINP-GWCFXTLKSA-N 0 0 303.387 3.009 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481060071 435407265 /nfs/dbraw/zinc/40/72/65/435407265.db2.gz ZMHPMTVOEWVWJH-UHFFFAOYSA-N 0 0 324.421 3.205 10 30 DGEERN C[C@H]1[C@H](C(F)(F)F)CCN1c1c(C#N)nnc2ccccc21 ZINC000480554762 435383449 /nfs/dbraw/zinc/38/34/49/435383449.db2.gz MTDSXYHWJCXLKX-GXSJLCMTSA-N 0 0 306.291 3.279 10 30 DGEERN CC1CC(C#N)(C(=O)N2CCc3c2cccc3Br)C1 ZINC000515152800 435465880 /nfs/dbraw/zinc/46/58/80/435465880.db2.gz DQNGCQAEOHAVCS-UHFFFAOYSA-N 0 0 319.202 3.278 10 30 DGEERN C=CCCCCCNC(=O)Cc1cncn1Cc1ccccc1 ZINC000568762307 435468020 /nfs/dbraw/zinc/46/80/20/435468020.db2.gz ATPSJMJJMDWJOY-UHFFFAOYSA-N 0 0 311.429 3.337 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000538695468 435512472 /nfs/dbraw/zinc/51/24/72/435512472.db2.gz PWVSLYZITASKHW-QGZVFWFLSA-N 0 0 324.355 3.270 10 30 DGEERN C=CC[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cn2)CCCC1(C)C ZINC000569670698 435551063 /nfs/dbraw/zinc/55/10/63/435551063.db2.gz QECKIVPZDPCBTR-CQSZACIVSA-N 0 0 303.362 3.197 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2ccccc2c1 ZINC000569805690 435562886 /nfs/dbraw/zinc/56/28/86/435562886.db2.gz JBOPYPNJMFOFFI-ROUUACIJSA-N 0 0 310.397 3.230 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000485720433 435577568 /nfs/dbraw/zinc/57/75/68/435577568.db2.gz RDSTZTNEUVRWPN-QZTJIDSGSA-N 0 0 313.441 3.497 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000485740423 435577847 /nfs/dbraw/zinc/57/78/47/435577847.db2.gz AAVLQTKCGZVVKY-APHBMKBZSA-N 0 0 323.820 3.205 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2cc3[nH]cnc3c(C)c2)no1 ZINC000570316302 435608788 /nfs/dbraw/zinc/60/87/88/435608788.db2.gz OACYUFCAZIJGHV-KRWDZBQOSA-N 0 0 312.373 3.402 10 30 DGEERN CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486710662 435611626 /nfs/dbraw/zinc/61/16/26/435611626.db2.gz URPQODPFNDDMJN-MLGOLLRUSA-N 0 0 324.421 3.287 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000570392302 435615363 /nfs/dbraw/zinc/61/53/63/435615363.db2.gz ZJKDPHIEABFLAM-ZLDLUXBVSA-N 0 0 308.809 3.291 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000541312260 435641472 /nfs/dbraw/zinc/64/14/72/435641472.db2.gz IVHDGFLESMQLLB-MRXNPFEDSA-N 0 0 304.459 3.413 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc(C(C)(C)C)nc1C ZINC000570795615 435650755 /nfs/dbraw/zinc/65/07/55/435650755.db2.gz ZZJKXIWKTOHGJM-RYUDHWBXSA-N 0 0 308.447 3.070 10 30 DGEERN C=CCCCN[C@@H](C(=O)OC)c1ccccc1C(F)(F)F ZINC000570882611 435658959 /nfs/dbraw/zinc/65/89/59/435658959.db2.gz HEFCOUJZCVUIHI-CYBMUJFWSA-N 0 0 301.308 3.475 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000519902851 435717327 /nfs/dbraw/zinc/71/73/27/435717327.db2.gz TZUAETGJFQRUON-NSHDSACASA-N 0 0 301.308 3.376 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000572012913 435769561 /nfs/dbraw/zinc/76/95/61/435769561.db2.gz ZACKXGAVIBNOSV-UHFFFAOYSA-N 0 0 315.417 3.183 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1snc(Cl)c1C#N ZINC000108951214 302777379 /nfs/dbraw/zinc/77/73/79/302777379.db2.gz JRKPSVRMIIJOMM-LLVKDONJSA-N 0 0 321.837 3.360 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCc2cncnc2C1 ZINC000329267755 303512375 /nfs/dbraw/zinc/51/23/75/303512375.db2.gz GHQIOLSLDKUUIN-OFQRWUPVSA-N 0 0 314.433 3.108 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)Cc3ccc(C#N)cc3)c21 ZINC000171345076 312717717 /nfs/dbraw/zinc/71/77/17/312717717.db2.gz KRCKQSGKATYZKO-UHFFFAOYSA-N 0 0 317.392 3.249 10 30 DGEERN COC(=O)c1c(F)cccc1NCc1ccc(OC)c(C#N)c1 ZINC000179031302 312795564 /nfs/dbraw/zinc/79/55/64/312795564.db2.gz JGHPLAGTRCQHOZ-UHFFFAOYSA-N 0 0 314.316 3.105 10 30 DGEERN N#Cc1cccc(CC(=O)N(c2ccccn2)C2CCCC2)c1 ZINC000533199552 313603774 /nfs/dbraw/zinc/60/37/74/313603774.db2.gz ICUDNGUBBUHQBV-UHFFFAOYSA-N 0 0 305.381 3.472 10 30 DGEERN CCC(CC)[C@@H]1C[C@H](NC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000539800791 313931312 /nfs/dbraw/zinc/93/13/12/313931312.db2.gz LXHLBFQETIPRQY-MSOLQXFVSA-N 0 0 314.429 3.201 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000546002646 314283533 /nfs/dbraw/zinc/28/35/33/314283533.db2.gz NTIISFUFTDCTKX-JTQLQIEISA-N 0 0 316.386 3.215 10 30 DGEERN COc1ccc(Cc2noc(Cc3cccc(C#N)c3)n2)cc1F ZINC000546947097 314337593 /nfs/dbraw/zinc/33/75/93/314337593.db2.gz PZONGZGNQKXRSC-UHFFFAOYSA-N 0 0 323.327 3.271 10 30 DGEERN N#Cc1c(N2C[C@@H]3CCCC[C@H]3C2)nc2cc(Cl)ccn12 ZINC000561235712 314959862 /nfs/dbraw/zinc/95/98/62/314959862.db2.gz JHDQRAGVLRSPSY-RYUDHWBXSA-N 0 0 300.793 3.486 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000571356253 315714815 /nfs/dbraw/zinc/71/48/15/315714815.db2.gz QQJLDUOKYRKEFK-AUUYWEPGSA-N 0 0 319.408 3.333 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000576098339 316094200 /nfs/dbraw/zinc/09/42/00/316094200.db2.gz ZAXVHMJCBHOSLV-DLBZAZTESA-N 0 0 310.784 3.426 10 30 DGEERN N#Cc1ccc(CCC(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000182707282 323309842 /nfs/dbraw/zinc/30/98/42/323309842.db2.gz KXWKFTZICGDCQG-UHFFFAOYSA-N 0 0 323.400 3.226 10 30 DGEERN CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nccs1 ZINC000185047153 323379362 /nfs/dbraw/zinc/37/93/62/323379362.db2.gz JYBQHLAOZICLEX-CQSZACIVSA-N 0 0 314.414 3.084 10 30 DGEERN CS[C@H]1CCC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000187089653 323411275 /nfs/dbraw/zinc/41/12/75/323411275.db2.gz XJHGYZGAABSKBW-HOTGVXAUSA-N 0 0 314.454 3.380 10 30 DGEERN N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[nH]2)cc1F ZINC000195084453 323485981 /nfs/dbraw/zinc/48/59/81/323485981.db2.gz YYXHBHLQULKAFM-UHFFFAOYSA-N 0 0 301.346 3.363 10 30 DGEERN N#Cc1cnc(NC2CC(OCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000579554777 323884875 /nfs/dbraw/zinc/88/48/75/323884875.db2.gz VOYGVSKQAYFLIX-UHFFFAOYSA-N 0 0 324.340 3.021 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nccs1 ZINC000063320348 331552427 /nfs/dbraw/zinc/55/24/27/331552427.db2.gz GXGBKYOMINEZSK-UHFFFAOYSA-N 0 0 318.358 3.271 10 30 DGEERN C=C(C)CN(C)C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000180411873 331568512 /nfs/dbraw/zinc/56/85/12/331568512.db2.gz VZMGLVBSDSEXML-UHFFFAOYSA-N 0 0 303.793 3.482 10 30 DGEERN C=C(C)COCCNC(=O)NCC1CC(c2ccccc2)C1 ZINC000558768855 331942019 /nfs/dbraw/zinc/94/20/19/331942019.db2.gz WBRZQXIYOKMIHJ-UHFFFAOYSA-N 0 0 302.418 3.072 10 30 DGEERN CC#CCNC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000536460104 332249282 /nfs/dbraw/zinc/24/92/82/332249282.db2.gz QPWHGFDRUZATQL-UHFFFAOYSA-N 0 0 305.428 3.003 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H]1CCc2cccc(O)c21 ZINC000559730520 332277601 /nfs/dbraw/zinc/27/76/01/332277601.db2.gz ZEHGTWQRPOIHFD-INIZCTEOSA-N 0 0 323.392 3.303 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc([C@]3(C)C[C@H]4C[C@H]4C3)n2)c1 ZINC000559944109 332295444 /nfs/dbraw/zinc/29/54/44/332295444.db2.gz FQXTYCJWDDPDRU-CCWDJLKJSA-N 0 0 323.396 3.340 10 30 DGEERN CCc1ccc(S(=O)(=O)N(CCC#N)c2ccccc2)s1 ZINC000049044626 332307105 /nfs/dbraw/zinc/30/71/05/332307105.db2.gz QIMRRPAAFBSBEX-UHFFFAOYSA-N 0 0 320.439 3.419 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1oc(CCC)nc1C ZINC000293613854 335110168 /nfs/dbraw/zinc/11/01/68/335110168.db2.gz KDIUQDCMTASNPM-MRXNPFEDSA-N 0 0 310.397 3.300 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000561897393 332513786 /nfs/dbraw/zinc/51/37/86/332513786.db2.gz YZIDQHQHMTXXCW-ZIAGYGMSSA-N 0 0 315.329 3.402 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H]2CCCC[C@H]2OC)cc1 ZINC000293771790 335113170 /nfs/dbraw/zinc/11/31/70/335113170.db2.gz YQFUCHUMYGSVCJ-DLBZAZTESA-N 0 0 303.402 3.073 10 30 DGEERN C=CCNC(=O)CSCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000151521379 332583426 /nfs/dbraw/zinc/58/34/26/332583426.db2.gz UVQFFSHYXQJGJX-UHFFFAOYSA-N 0 0 321.442 3.177 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000569822292 332683297 /nfs/dbraw/zinc/68/32/97/332683297.db2.gz LQMJXXAEUXSSCR-UHFFFAOYSA-N 0 0 301.390 3.073 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC000570087660 332710182 /nfs/dbraw/zinc/71/01/82/332710182.db2.gz UHDYTLVJRYEWBA-ZFWWWQNUSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000570407643 332751211 /nfs/dbraw/zinc/75/12/11/332751211.db2.gz HSONOMVICMZSEZ-CZUORRHYSA-N 0 0 308.397 3.293 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000188067767 333024009 /nfs/dbraw/zinc/02/40/09/333024009.db2.gz TXWKSBDKNZCDLM-GOSISDBHSA-N 0 0 324.424 3.398 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000184608787 333198906 /nfs/dbraw/zinc/19/89/06/333198906.db2.gz PIRHZSQHNYXVKV-YOEHRIQHSA-N 0 0 305.418 3.226 10 30 DGEERN C=C(CC)CNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000497254898 333228464 /nfs/dbraw/zinc/22/84/64/333228464.db2.gz VHPMYXMSFHNTJD-UONOGXRCSA-N 0 0 310.438 3.152 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000497264888 333229003 /nfs/dbraw/zinc/22/90/03/333229003.db2.gz YBGKMEADPAWVTJ-SHTZXODSSA-N 0 0 304.459 3.459 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000295195611 335131041 /nfs/dbraw/zinc/13/10/41/335131041.db2.gz RQSGASSUCLBWEU-PVAVHDDUSA-N 0 0 323.458 3.181 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](C)C(C)C ZINC000497802480 333292676 /nfs/dbraw/zinc/29/26/76/333292676.db2.gz XPITVKQGMOUQLG-AWEZNQCLSA-N 0 0 308.422 3.152 10 30 DGEERN COc1ccc(C[C@@H](C)C(=O)N[C@](C)(C#N)CC(C)C)cc1 ZINC000533999541 333554635 /nfs/dbraw/zinc/55/46/35/333554635.db2.gz PKKHVTHNNCQHAP-KDOFPFPSSA-N 0 0 302.418 3.318 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000185701508 335148384 /nfs/dbraw/zinc/14/83/84/335148384.db2.gz XHNLILPEILALOG-CYBMUJFWSA-N 0 0 301.390 3.147 10 30 DGEERN C=CCCCCCNC(=O)N1CCSC2(CCOCC2)C1 ZINC000563374703 333595795 /nfs/dbraw/zinc/59/57/95/333595795.db2.gz VGMMXYYSOPYQLP-UHFFFAOYSA-N 0 0 312.479 3.040 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000563375835 333596051 /nfs/dbraw/zinc/59/60/51/333596051.db2.gz YABSDHWUUZODBF-SJORKVTESA-N 0 0 317.433 3.347 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccnn1Cc1ccccn1 ZINC000563366145 333597085 /nfs/dbraw/zinc/59/70/85/333597085.db2.gz HBTQHOMQQVBZNC-UHFFFAOYSA-N 0 0 313.405 3.194 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(Cc1cccs1)C1CC1 ZINC000571581808 333817688 /nfs/dbraw/zinc/81/76/88/333817688.db2.gz RUZQVSYFNQNOBH-UHFFFAOYSA-N 0 0 320.458 3.102 10 30 DGEERN C/C(=C/c1cccc(C(F)(F)F)c1)CN1CCN(CC#N)CC1 ZINC000518836530 335393622 /nfs/dbraw/zinc/39/36/22/335393622.db2.gz FKYCKZWWYUKFGK-KAMYIIQDSA-N 0 0 323.362 3.250 10 30 DGEERN C=CCn1c(S[C@@H](C)c2cnc(C)cn2)nnc1C1CC1 ZINC000518869375 335656294 /nfs/dbraw/zinc/65/62/94/335656294.db2.gz OFSJTMYUNZXBDU-NSHDSACASA-N 0 0 301.419 3.293 10 30 DGEERN CC(C)N(CCC#N)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000535762862 335760611 /nfs/dbraw/zinc/76/06/11/335760611.db2.gz BPEHGUBCNMALFA-UHFFFAOYSA-N 0 0 311.385 3.024 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000445972945 338516421 /nfs/dbraw/zinc/51/64/21/338516421.db2.gz ZSSVUTXPNRSLCO-SGMGOOAPSA-N 0 0 307.356 3.405 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC000571680316 336396090 /nfs/dbraw/zinc/39/60/90/336396090.db2.gz UGGJXXBPEFVTCM-NWDGAFQWSA-N 0 0 317.462 3.378 10 30 DGEERN CC1(C#N)CCN(C(=O)c2ccc(F)cc2OC(F)F)CC1 ZINC000356970128 336567811 /nfs/dbraw/zinc/56/78/11/336567811.db2.gz DJAUINNTHVVKST-UHFFFAOYSA-N 0 0 312.291 3.193 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000356971391 336567927 /nfs/dbraw/zinc/56/79/27/336567927.db2.gz JXVUGIWHEGWIMY-CHWSQXEVSA-N 0 0 304.340 3.221 10 30 DGEERN C=CC[C@@H]1N(c2nnc(C)n2C[C@@H]2CCCO2)CCCC1(C)C ZINC000359451355 336673542 /nfs/dbraw/zinc/67/35/42/336673542.db2.gz OJTBQUJFANKOAE-HOTGVXAUSA-N 0 0 318.465 3.337 10 30 DGEERN CC1(C#N)CN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000361195497 336743825 /nfs/dbraw/zinc/74/38/25/336743825.db2.gz IZIZIJIWUMCUHT-RYUDHWBXSA-N 0 0 324.302 3.061 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC[C@@H](c2cc(C)ccn2)C1)OCC ZINC000583273554 337299569 /nfs/dbraw/zinc/29/95/69/337299569.db2.gz UVDZSMLOIRKGAR-NVXWUHKLSA-N 0 0 302.418 3.077 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000583874322 337366481 /nfs/dbraw/zinc/36/64/81/337366481.db2.gz PPFYIZJQORBTAZ-ZIAGYGMSSA-N 0 0 309.450 3.415 10 30 DGEERN C[C@@H]1CN(c2ccnc3[nH]cc(-c4cccc(C#N)c4)c32)CCO1 ZINC000584598874 337370636 /nfs/dbraw/zinc/37/06/36/337370636.db2.gz PKVURXVLRYHLLM-CYBMUJFWSA-N 0 0 318.380 3.327 10 30 DGEERN Cc1c2cc(C#N)cc(-c3ccc(Cl)nc3)c2[nH]c1C(N)=O ZINC000584618941 337373308 /nfs/dbraw/zinc/37/33/08/337373308.db2.gz ZRAITNOWQNMCEA-UHFFFAOYSA-N 0 0 310.744 3.162 10 30 DGEERN N#CCNCc1c2ccccc2c(CNCC#N)c2ccccc21 ZINC000584591508 337373464 /nfs/dbraw/zinc/37/34/64/337373464.db2.gz PFGBCJYROBAKIK-UHFFFAOYSA-N 0 0 314.392 3.219 10 30 DGEERN O=C1C(Cl)=C(C(F)(F)F)C(=O)C(C(F)(F)F)=C1Cl ZINC000584623637 337375160 /nfs/dbraw/zinc/37/51/60/337375160.db2.gz BYCJOGOXFXFVOT-UHFFFAOYSA-N 0 0 312.980 3.249 10 30 DGEERN C=C(Br)CCSc1nnnn1-c1ccccc1 ZINC000584636988 337379358 /nfs/dbraw/zinc/37/93/58/337379358.db2.gz AMKVZKMPYVZIHO-UHFFFAOYSA-N 0 0 311.208 3.053 10 30 DGEERN C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCOCC1 ZINC000161204328 337571814 /nfs/dbraw/zinc/57/18/14/337571814.db2.gz NJNRPQGWSWDEJK-YOEHRIQHSA-N 0 0 300.402 3.210 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000527900960 337772919 /nfs/dbraw/zinc/77/29/19/337772919.db2.gz ABAXNEUAURHLPE-UKRRQHHQSA-N 0 0 308.219 3.375 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000105309831 337805473 /nfs/dbraw/zinc/80/54/73/337805473.db2.gz NVMNDJDNYAMYED-CZUORRHYSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCCCCSCc1nc(-c2cc(OC)ncn2)no1 ZINC000514784449 337970807 /nfs/dbraw/zinc/97/08/07/337970807.db2.gz YZEUNRPXLLGWDD-UHFFFAOYSA-N 0 0 306.391 3.125 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1cccc(C)c1 ZINC000515469084 337989740 /nfs/dbraw/zinc/98/97/40/337989740.db2.gz QSRLNDWIYZSDSR-HOCLYGCPSA-N 0 0 302.418 3.120 10 30 DGEERN C[C@H](C#N)CN(C)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455704208 338904121 /nfs/dbraw/zinc/90/41/21/338904121.db2.gz AAYYIPSKDKQVSN-GFCCVEGCSA-N 0 0 303.410 3.091 10 30 DGEERN C=CCCCCNC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000502171222 340096376 /nfs/dbraw/zinc/09/63/76/340096376.db2.gz HMEVODWUDJZYNU-UHFFFAOYSA-N 0 0 323.481 3.165 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000505025081 340159220 /nfs/dbraw/zinc/15/92/20/340159220.db2.gz YTEJXOOUOJFTJX-HNNXBMFYSA-N 0 0 316.401 3.222 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN[C@@H](c2ccc(CC)cc2)C1 ZINC000505470098 340169189 /nfs/dbraw/zinc/16/91/89/340169189.db2.gz XMMWNBQOHLWPOI-MAUKXSAKSA-N 0 0 300.446 3.324 10 30 DGEERN C=CCOc1ccc(CNC(=O)Nc2ccnn2CCC)cc1 ZINC000505745864 340176463 /nfs/dbraw/zinc/17/64/63/340176463.db2.gz OYMZPQJLUGDLKV-UHFFFAOYSA-N 0 0 314.389 3.180 10 30 DGEERN Cc1nc([C@@H](C#N)C(=O)Nc2cc(C)ccc2F)sc1C ZINC000505755130 340176716 /nfs/dbraw/zinc/17/67/16/340176716.db2.gz CIWVZSHUPOPASS-NSHDSACASA-N 0 0 303.362 3.453 10 30 DGEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000506534690 340196360 /nfs/dbraw/zinc/19/63/60/340196360.db2.gz YJZFXBDWRWPYRC-NHYWBVRUSA-N 0 0 323.234 3.436 10 30 DGEERN C=C(C)CCSCC(=O)NCCOc1c(C)cccc1C ZINC000507832914 340233651 /nfs/dbraw/zinc/23/36/51/340233651.db2.gz HUENHBWMYBVKTK-UHFFFAOYSA-N 0 0 307.459 3.498 10 30 DGEERN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCC1CCC(C#N)CC1 ZINC000508352803 340242749 /nfs/dbraw/zinc/24/27/49/340242749.db2.gz PRTZELKKCWJLEG-BACDZXNISA-N 0 0 306.450 3.418 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C ZINC000508600071 340247484 /nfs/dbraw/zinc/24/74/84/340247484.db2.gz GFIZMYIHARJJLU-CYBMUJFWSA-N 0 0 318.396 3.497 10 30 DGEERN C=CCCCCNC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000511897278 340342397 /nfs/dbraw/zinc/34/23/97/340342397.db2.gz FVUHHHUKSFOGKJ-HNNXBMFYSA-N 0 0 306.381 3.477 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000175074914 340402529 /nfs/dbraw/zinc/40/25/29/340402529.db2.gz RDJRDPXXXZDPHV-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN C=CC1CCN(C(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000514012555 340441352 /nfs/dbraw/zinc/44/13/52/340441352.db2.gz DBRPOEXGHPIXGU-UHFFFAOYSA-N 0 0 322.836 3.464 10 30 DGEERN C=CCOCCCC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177784523 340443428 /nfs/dbraw/zinc/44/34/28/340443428.db2.gz NAMKMAGDDSTUCW-OAHLLOKOSA-N 0 0 306.362 3.145 10 30 DGEERN C=CC1CCN(S(=O)(=O)N(CCCC)CCCC)CC1 ZINC000517707134 340475732 /nfs/dbraw/zinc/47/57/32/340475732.db2.gz JUXMPTQTHFGMRG-UHFFFAOYSA-N 0 0 302.484 3.031 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)OCC)c1ccc(F)cc1 ZINC000185442819 340501133 /nfs/dbraw/zinc/50/11/33/340501133.db2.gz NKGJUXPNMAWRJA-CYBMUJFWSA-N 0 0 307.365 3.324 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000186035144 340507552 /nfs/dbraw/zinc/50/75/52/340507552.db2.gz NIOKPTTVCWRPLI-MRXNPFEDSA-N 0 0 322.493 3.476 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCC(C)(C)CC#N ZINC000189137505 340527741 /nfs/dbraw/zinc/52/77/41/340527741.db2.gz QNYBUGQKADXTGC-CHWSQXEVSA-N 0 0 324.421 3.163 10 30 DGEERN C=C(C)CS(=O)(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000528558630 340723906 /nfs/dbraw/zinc/72/39/06/340723906.db2.gz ZNBFOEKOTPNZKC-HNNXBMFYSA-N 0 0 311.422 3.300 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000529242279 340749626 /nfs/dbraw/zinc/74/96/26/340749626.db2.gz RVCJKCBQUSZTDL-LBPRGKRZSA-N 0 0 300.362 3.253 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000529251775 340750666 /nfs/dbraw/zinc/75/06/66/340750666.db2.gz CJGYWUHLSXDDRH-QWRGUYRKSA-N 0 0 315.339 3.250 10 30 DGEERN C=CCCC(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529635686 340765709 /nfs/dbraw/zinc/76/57/09/340765709.db2.gz VYQKMXZORUGQMX-UHFFFAOYSA-N 0 0 317.433 3.475 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@@H](CC)c2nccs2)s1 ZINC000129135717 340947828 /nfs/dbraw/zinc/94/78/28/340947828.db2.gz IXNWVNUJFOGPDZ-VIFPVBQESA-N 0 0 308.432 3.079 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCc1cccc(-c2ccc(C)cc2)c1 ZINC000542313194 341004036 /nfs/dbraw/zinc/00/40/36/341004036.db2.gz ODDMJOXUSGZPQO-LJQANCHMSA-N 0 0 324.424 3.398 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000544418421 341081401 /nfs/dbraw/zinc/08/14/01/341081401.db2.gz UVXROPZSIAGRCP-IBGZPJMESA-N 0 0 324.428 3.359 10 30 DGEERN CC#CCCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000544581142 341087243 /nfs/dbraw/zinc/08/72/43/341087243.db2.gz GCRHASQAVWNALL-UHFFFAOYSA-N 0 0 305.175 3.074 10 30 DGEERN C[C@@H](NC(=O)[C@H](C)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000072711629 341100523 /nfs/dbraw/zinc/10/05/23/341100523.db2.gz XFGGHGWJVDTFTK-CABCVRRESA-N 0 0 307.397 3.430 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545231449 341115903 /nfs/dbraw/zinc/11/59/03/341115903.db2.gz VMQGRDVHDSLUDQ-HNNXBMFYSA-N 0 0 307.434 3.150 10 30 DGEERN C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)C1CCOCC1 ZINC000132985068 341151087 /nfs/dbraw/zinc/15/10/87/341151087.db2.gz NFZMTIHFIFGXCW-DNVCBOLYSA-N 0 0 314.429 3.080 10 30 DGEERN C=CC[C@@H](C)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000134350639 341213699 /nfs/dbraw/zinc/21/36/99/341213699.db2.gz KOFBYYCTRWEDLW-GFCCVEGCSA-N 0 0 309.356 3.094 10 30 DGEERN C=CCOc1ccccc1C(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000134585990 341218992 /nfs/dbraw/zinc/21/89/92/341218992.db2.gz VVGFAJUPVXYMTO-DOTOQJQBSA-N 0 0 317.429 3.313 10 30 DGEERN CC#CCCNC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000547536247 341221359 /nfs/dbraw/zinc/22/13/59/341221359.db2.gz NZTCNJQMKXYUFQ-UHFFFAOYSA-N 0 0 319.455 3.393 10 30 DGEERN C=C(C)COCCNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000135004732 341228599 /nfs/dbraw/zinc/22/85/99/341228599.db2.gz ZAZIRMUEPHHTTL-INIZCTEOSA-N 0 0 304.434 3.160 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cccc(OC)c1O ZINC000078430645 341242176 /nfs/dbraw/zinc/24/21/76/341242176.db2.gz LLZMNMUAPBVFRQ-UHFFFAOYSA-N 0 0 303.383 3.291 10 30 DGEERN N#CC1CCC(CNC(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000548843726 341277743 /nfs/dbraw/zinc/27/77/43/341277743.db2.gz ZWPXEUCNBDMVAH-UHFFFAOYSA-N 0 0 320.396 3.203 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[C@H]1OC ZINC000549803946 341303485 /nfs/dbraw/zinc/30/34/85/341303485.db2.gz PTBBCFIINBDUET-ZWKOTPCHSA-N 0 0 301.430 3.449 10 30 DGEERN C=CCOCC(=O)N(Cc1ccccc1)c1ccccc1C#N ZINC000552377704 341389892 /nfs/dbraw/zinc/38/98/92/341389892.db2.gz PYIROEIQYWHLQB-UHFFFAOYSA-N 0 0 306.365 3.294 10 30 DGEERN C=CCCCNC(=O)c1cc(Br)c(C)cc1OC ZINC000552532541 341397675 /nfs/dbraw/zinc/39/76/75/341397675.db2.gz QCVNNXORJYEYQV-UHFFFAOYSA-N 0 0 312.207 3.462 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000555235816 341478082 /nfs/dbraw/zinc/47/80/82/341478082.db2.gz JGDAZWPHUMHYOE-OAHLLOKOSA-N 0 0 306.381 3.429 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1CC[C@H](C(C)C)C1 ZINC000565656884 341534271 /nfs/dbraw/zinc/53/42/71/341534271.db2.gz LTDQCMSFSOGNLE-NSHDSACASA-N 0 0 302.344 3.051 10 30 DGEERN C=C(C)CNC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000156823809 341626834 /nfs/dbraw/zinc/62/68/34/341626834.db2.gz ODKFJLSDFMHLJB-OAHLLOKOSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000567859426 341637363 /nfs/dbraw/zinc/63/73/63/341637363.db2.gz BOAABVFFSUPJCQ-GVXVVHGQSA-N 0 0 317.462 3.377 10 30 DGEERN CCc1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC000580537843 341809574 /nfs/dbraw/zinc/80/95/74/341809574.db2.gz QPCHXWDPYFWWCE-UHFFFAOYSA-N 0 0 323.444 3.213 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000576345796 341841468 /nfs/dbraw/zinc/84/14/68/341841468.db2.gz XZWPEHYTXJGOCX-KGLIPLIRSA-N 0 0 314.389 3.401 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1Oc1ccncc1 ZINC000576935837 341870721 /nfs/dbraw/zinc/87/07/21/341870721.db2.gz DOWWCFMZVSOUKX-YOEHRIQHSA-N 0 0 324.380 3.195 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577559256 341917518 /nfs/dbraw/zinc/91/75/18/341917518.db2.gz WIRBTIMQMAYVDJ-QGZVFWFLSA-N 0 0 315.373 3.337 10 30 DGEERN N#CC1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000577579223 341919954 /nfs/dbraw/zinc/91/99/54/341919954.db2.gz QYGCTADSRFHGCT-VXGBXAGGSA-N 0 0 324.302 3.109 10 30 DGEERN N#CC1(CNC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000577692613 341929409 /nfs/dbraw/zinc/92/94/09/341929409.db2.gz HAKIZBIJDGXIPH-MQMHXKEQSA-N 0 0 303.793 3.189 10 30 DGEERN C=CCC1(C(=O)N2CCC(OC(C)(C)C)CC2)CCOCC1 ZINC000424718287 500574532 /nfs/dbraw/zinc/57/45/32/500574532.db2.gz 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308.397 3.373 10 30 DGEERN C=CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000468366581 534732256 /nfs/dbraw/zinc/73/22/56/534732256.db2.gz CJLOTEVFIZAUOF-UHFFFAOYSA-N 0 0 317.370 3.414 10 30 DGEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000329832962 534764644 /nfs/dbraw/zinc/76/46/44/534764644.db2.gz GDUKMNIDGGKTRX-JHJVBQTASA-N 0 0 317.339 3.305 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)NC3(C#N)CCCCC3)nc21 ZINC000175983759 534770682 /nfs/dbraw/zinc/77/06/82/534770682.db2.gz LVBNDGMMSPBEHS-UHFFFAOYSA-N 0 0 310.401 3.147 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H](CC)CC(F)F)cc1 ZINC000457468926 534864018 /nfs/dbraw/zinc/86/40/18/534864018.db2.gz FAIPGAXZAHLOCP-NSHDSACASA-N 0 0 310.344 3.222 10 30 DGEERN Cc1cc(Br)n2nc(C(F)(F)F)cc2c1C#N ZINC000072226094 526176023 /nfs/dbraw/zinc/17/60/23/526176023.db2.gz UBXFGCULNGFQNL-UHFFFAOYSA-N 0 0 304.069 3.296 10 30 DGEERN CC#CCCCc1nc(-c2cccc(-c3n[nH]c(C)n3)c2)no1 ZINC000346622447 526304710 /nfs/dbraw/zinc/30/47/10/526304710.db2.gz 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/nfs/dbraw/zinc/71/20/57/526712057.db2.gz ZZYVDQGNQFDFPX-OWQGQXMQSA-N 0 0 305.393 3.010 10 30 DGEERN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000435401642 526712980 /nfs/dbraw/zinc/71/29/80/526712980.db2.gz LPEASIRZQOSQTI-IAGOWNOFSA-N 0 0 303.402 3.004 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000345645534 526713460 /nfs/dbraw/zinc/71/34/60/526713460.db2.gz YFNDBWJNMJIZND-VIFPVBQESA-N 0 0 308.765 3.212 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000185837606 526713972 /nfs/dbraw/zinc/71/39/72/526713972.db2.gz ZRTFCXQBILOUDL-STQMWFEESA-N 0 0 307.825 3.032 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000351634340 526714740 /nfs/dbraw/zinc/71/47/40/526714740.db2.gz QPYWWGLNFHAHPR-JTQLQIEISA-N 0 0 315.822 3.284 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000352532679 526715162 /nfs/dbraw/zinc/71/51/62/526715162.db2.gz VHGFNZVVAJDJOB-ZDUSSCGKSA-N 0 0 314.385 3.271 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000184903330 526715430 /nfs/dbraw/zinc/71/54/30/526715430.db2.gz MBRDNNQTLNRYTH-JTQLQIEISA-N 0 0 306.431 3.267 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCOC[C@@H]1C ZINC000292986724 526717350 /nfs/dbraw/zinc/71/73/50/526717350.db2.gz NQBJBKPQOYYBPZ-HNNXBMFYSA-N 0 0 312.417 3.055 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCSC[C@H]1C ZINC000359113651 526718777 /nfs/dbraw/zinc/71/87/77/526718777.db2.gz GDMCJGJXKIQINV-GFCCVEGCSA-N 0 0 304.419 3.056 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000359243280 526739732 /nfs/dbraw/zinc/73/97/32/526739732.db2.gz PASZGTOTQKAOIQ-CABCVRRESA-N 0 0 316.449 3.127 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000359116183 526740156 /nfs/dbraw/zinc/74/01/56/526740156.db2.gz OJEFPFNJNLOAFC-HOCLYGCPSA-N 0 0 324.428 3.439 10 30 DGEERN C=C(C)[C@@H](CC(=O)N(CCc1nccs1)C(C)C)OCC ZINC000339481807 526741466 /nfs/dbraw/zinc/74/14/66/526741466.db2.gz PKGYQXNJGBKVNB-CQSZACIVSA-N 0 0 310.463 3.294 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000346114605 526762790 /nfs/dbraw/zinc/76/27/90/526762790.db2.gz CBDYQZIEDOCZFA-WPGHFRTFSA-N 0 0 309.356 3.166 10 30 DGEERN C=CCOCCCc1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000356645891 526765822 /nfs/dbraw/zinc/76/58/22/526765822.db2.gz NKHJPEAIXZLNDN-UHFFFAOYSA-N 0 0 310.357 3.058 10 30 DGEERN C=CCOCCNC(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000378552563 526780799 /nfs/dbraw/zinc/78/07/99/526780799.db2.gz RAVXFZRSBGKXSN-UHFFFAOYSA-N 0 0 315.373 3.283 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC(c2ccc(C)nc2)CC1)OCC ZINC000374709253 526806756 /nfs/dbraw/zinc/80/67/56/526806756.db2.gz HEZFPWARVFMEBH-SFHVURJKSA-N 0 0 316.445 3.467 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000439265101 526839006 /nfs/dbraw/zinc/83/90/06/526839006.db2.gz JNXOAKUMPMHXBR-IRXDYDNUSA-N 0 0 315.413 3.140 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000288651901 526843339 /nfs/dbraw/zinc/84/33/39/526843339.db2.gz ABTZBKXDGLKXKC-RHSMWYFYSA-N 0 0 307.353 3.026 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](CO)c2sccc2C)cc1 ZINC000356437550 526851554 /nfs/dbraw/zinc/85/15/54/526851554.db2.gz IQRBETDVWUFRAO-OAHLLOKOSA-N 0 0 317.410 3.085 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2nc3cccnc3n2CC)cc1 ZINC000349896571 526854559 /nfs/dbraw/zinc/85/45/59/526854559.db2.gz VVABMBSOJYMHDM-UHFFFAOYSA-N 0 0 322.368 3.268 10 30 DGEERN C=CCOc1ccc(CN([C@@H](C)C(=O)OCC)C2CC2)cc1 ZINC000347426556 526863957 /nfs/dbraw/zinc/86/39/57/526863957.db2.gz YQAVATOOHUYNJJ-AWEZNQCLSA-N 0 0 303.402 3.167 10 30 DGEERN C=CCOc1ccc(CN2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000355193317 526864695 /nfs/dbraw/zinc/86/46/95/526864695.db2.gz UVJKBEZQODQCHX-UHFFFAOYSA-N 0 0 322.408 3.053 10 30 DGEERN C=C(CNC(=O)N1CCC=C(Br)C1)c1ccccc1 ZINC000287962815 526868065 /nfs/dbraw/zinc/86/80/65/526868065.db2.gz HYPPLMXAKCQYRT-UHFFFAOYSA-N 0 0 321.218 3.394 10 30 DGEERN C=C(CNC(=O)NCC1CCC(OC)CC1)c1ccccc1 ZINC000354142231 526869735 /nfs/dbraw/zinc/86/97/35/526869735.db2.gz GWALRIBRJJEHMB-UHFFFAOYSA-N 0 0 302.418 3.204 10 30 DGEERN C=C(CNC(=O)N[C@@H](C)c1ccncc1OC)c1ccccc1 ZINC000355373476 526874326 /nfs/dbraw/zinc/87/43/26/526874326.db2.gz GMHXIVXQZIBQNL-AWEZNQCLSA-N 0 0 311.385 3.164 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2cnc3cnccc3c2)cc1 ZINC000359060246 526884807 /nfs/dbraw/zinc/88/48/07/526884807.db2.gz MVJPOPUIVWYTOB-UHFFFAOYSA-N 0 0 319.364 3.125 10 30 DGEERN C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000417645011 526886432 /nfs/dbraw/zinc/88/64/32/526886432.db2.gz GDHVQTRFYJGIHV-ZIAGYGMSSA-N 0 0 323.820 3.495 10 30 DGEERN C=CCOc1ccc(CNCc2csc(COC)n2)cc1 ZINC000352923049 526887022 /nfs/dbraw/zinc/88/70/22/526887022.db2.gz TXTPUVQESMANST-UHFFFAOYSA-N 0 0 304.415 3.144 10 30 DGEERN CC(=O)N[C@H](CC(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178386559 526888047 /nfs/dbraw/zinc/88/80/47/526888047.db2.gz VPIJIVZXGAVMAE-GOSISDBHSA-N 0 0 321.380 3.073 10 30 DGEERN C=C1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000342004240 526901694 /nfs/dbraw/zinc/90/16/94/526901694.db2.gz NNPLHUDKJUMGKY-KRWDZBQOSA-N 0 0 312.457 3.466 10 30 DGEERN C=C1CCN(c2nnc(-c3ncccc3C)n2CC(C)C)CC1 ZINC000338982837 526907639 /nfs/dbraw/zinc/90/76/39/526907639.db2.gz RAARECHQVZPSRA-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCOc1cccc(NC(=O)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000188721192 526915434 /nfs/dbraw/zinc/91/54/34/526915434.db2.gz RATKVDHVGHBKCT-HNNXBMFYSA-N 0 0 304.390 3.331 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374659289 526925696 /nfs/dbraw/zinc/92/56/96/526925696.db2.gz HUAFAXFXXUYWRF-QGZVFWFLSA-N 0 0 322.408 3.351 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1nc2c(s1)CCC2 ZINC000415190452 526949387 /nfs/dbraw/zinc/94/93/87/526949387.db2.gz XJULJDAPIUUPGM-UHFFFAOYSA-N 0 0 314.410 3.127 10 30 DGEERN C=CC(C)(C)CNC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411575781 526950511 /nfs/dbraw/zinc/95/05/11/526950511.db2.gz NUGMILAKDUDELA-UHFFFAOYSA-N 0 0 308.809 3.224 10 30 DGEERN C=CC1CCN(C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184553641 526970333 /nfs/dbraw/zinc/97/03/33/526970333.db2.gz ISJQUWNJFZUTBJ-UHFFFAOYSA-N 0 0 303.410 3.213 10 30 DGEERN C=CCSCCNC(=O)N(C)[C@@H](C)Cc1ccccc1C ZINC000445025392 526987303 /nfs/dbraw/zinc/98/73/03/526987303.db2.gz ZTXOXUZBEYQIED-HNNXBMFYSA-N 0 0 306.475 3.487 10 30 DGEERN C=CCSCCNC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000347065513 527001492 /nfs/dbraw/zinc/00/14/92/527001492.db2.gz IOVVTPIKWXAAQW-MRXNPFEDSA-N 0 0 305.443 3.230 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN1CCS[C@H](C)C1 ZINC000171698493 527013528 /nfs/dbraw/zinc/01/35/28/527013528.db2.gz UMLCPYNEDQPIKV-CYBMUJFWSA-N 0 0 322.499 3.341 10 30 DGEERN C=CC[C@@H](C(=O)N(CCO)Cc1ccc(C)o1)c1ccccc1 ZINC000358273174 527014971 /nfs/dbraw/zinc/01/49/71/527014971.db2.gz LDUOUYHDAWSLEO-GOSISDBHSA-N 0 0 313.397 3.269 10 30 DGEERN C=CCC(C)(C)c1noc(-c2ccc(CNC(C)=O)s2)n1 ZINC000340807891 527019508 /nfs/dbraw/zinc/01/95/08/527019508.db2.gz XZAUXKZLBMIJQA-UHFFFAOYSA-N 0 0 305.403 3.288 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434962961 527027630 /nfs/dbraw/zinc/02/76/30/527027630.db2.gz OLSXKORTWKMTQF-SNVBAGLBSA-N 0 0 308.378 3.107 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CCOCC1 ZINC000424694043 527038831 /nfs/dbraw/zinc/03/88/31/527038831.db2.gz KBJLBSLGPNVNRO-CABCVRRESA-N 0 0 311.491 3.492 10 30 DGEERN C=CCC1(C(=O)N2CCc3cc(F)cc(C)c3C2)CCOCC1 ZINC000424820014 527049101 /nfs/dbraw/zinc/04/91/01/527049101.db2.gz KODLAPQBSPXXOX-UHFFFAOYSA-N 0 0 317.404 3.392 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000337106444 527050152 /nfs/dbraw/zinc/05/01/52/527050152.db2.gz ZZVNPPJKTNJABK-GFCCVEGCSA-N 0 0 304.365 3.037 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)CC(=O)c2ccccc2)CCOCC1 ZINC000424721988 527058268 /nfs/dbraw/zinc/05/82/68/527058268.db2.gz MYNYPZQVTSVJFP-OAHLLOKOSA-N 0 0 315.413 3.137 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@@H](OCCCC)C2(C)C)CCOCC1 ZINC000424699992 527059153 /nfs/dbraw/zinc/05/91/53/527059153.db2.gz GZRXRIZDXOXWRI-JKSUJKDBSA-N 0 0 323.477 3.459 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(N(C)C)c2C)CCOCC1 ZINC000424751500 527060305 /nfs/dbraw/zinc/06/03/05/527060305.db2.gz IUWDDPMTQDRMIO-UHFFFAOYSA-N 0 0 302.418 3.372 10 30 DGEERN C#CCOCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000153503402 527064402 /nfs/dbraw/zinc/06/44/02/527064402.db2.gz SGZQKDMLKCPKAB-CQSZACIVSA-N 0 0 320.458 3.012 10 30 DGEERN C=CCCC(=O)N1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000341556660 527068303 /nfs/dbraw/zinc/06/83/03/527068303.db2.gz ALXHSGJFFKYJNH-UHFFFAOYSA-N 0 0 315.413 3.221 10 30 DGEERN C#CCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000297700089 527074966 /nfs/dbraw/zinc/07/49/66/527074966.db2.gz IHIOIESBRLIJNI-QMMMGPOBSA-N 0 0 305.683 3.336 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000185861238 527085238 /nfs/dbraw/zinc/08/52/38/527085238.db2.gz BWWSCLLFEHPRQV-HNNXBMFYSA-N 0 0 307.821 3.205 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000185561780 527092993 /nfs/dbraw/zinc/09/29/93/527092993.db2.gz JUGXDTHSZKTEAD-IRXDYDNUSA-N 0 0 302.418 3.154 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000186655206 527093270 /nfs/dbraw/zinc/09/32/70/527093270.db2.gz TVQVSMWMRQAOMM-FUHWJXTLSA-N 0 0 316.445 3.424 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000183321793 527093287 /nfs/dbraw/zinc/09/32/87/527093287.db2.gz HZLIHWFBZNDLNA-JKSUJKDBSA-N 0 0 322.836 3.417 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000186023049 527096071 /nfs/dbraw/zinc/09/60/71/527096071.db2.gz NIAXFLDJHJCJIO-INIZCTEOSA-N 0 0 317.433 3.126 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000185871409 527098378 /nfs/dbraw/zinc/09/83/78/527098378.db2.gz NHEJYBPYDAVSOK-ZDUSSCGKSA-N 0 0 316.788 3.069 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1N(C)c1ccccc1 ZINC000185886626 527101268 /nfs/dbraw/zinc/10/12/68/527101268.db2.gz AQRSTOWXPHESSS-HNNXBMFYSA-N 0 0 310.397 3.121 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC1(C)C ZINC000413577802 527111175 /nfs/dbraw/zinc/11/11/75/527111175.db2.gz IXDCTQSMAIEREI-HOTGVXAUSA-N 0 0 302.418 3.041 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cnn(C)c2SC)CCCC1(C)C ZINC000347474379 527117745 /nfs/dbraw/zinc/11/77/45/527117745.db2.gz WAKOOCJPPHGCSR-ZDUSSCGKSA-N 0 0 307.463 3.349 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000116974310 527127767 /nfs/dbraw/zinc/12/77/67/527127767.db2.gz RJSUEHUOMLOEPB-HOCLYGCPSA-N 0 0 302.418 3.376 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCSc1ccccn1 ZINC000285620013 527159571 /nfs/dbraw/zinc/15/95/71/527159571.db2.gz CLZGOMRNLMKWGE-KRWDZBQOSA-N 0 0 324.449 3.315 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCc2ccccc21 ZINC000285277810 527160340 /nfs/dbraw/zinc/16/03/40/527160340.db2.gz JDAYDUKNKLIFJD-SFHVURJKSA-N 0 0 304.393 3.393 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2cccnc21 ZINC000286425226 527173473 /nfs/dbraw/zinc/17/34/73/527173473.db2.gz BJQSXEOMEVWICM-MOPGFXCFSA-N 0 0 318.420 3.252 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000297833690 527174413 /nfs/dbraw/zinc/17/44/13/527174413.db2.gz LPFFTWGZYRTIIO-QGZVFWFLSA-N 0 0 314.429 3.083 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1c(C)cccc1SC ZINC000187178375 527179296 /nfs/dbraw/zinc/17/92/96/527179296.db2.gz IOMYIEAZHXTQFV-UHFFFAOYSA-N 0 0 306.431 3.080 10 30 DGEERN C=CCCCN(C)C(=O)CCC(=O)c1ccc(OCC)cc1 ZINC000346932923 527181268 /nfs/dbraw/zinc/18/12/68/527181268.db2.gz IKJLWMDZDGWDMA-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN C=CCCCN(C)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000076490307 527181999 /nfs/dbraw/zinc/18/19/99/527181999.db2.gz LQGRSFXDNOWMPZ-UHFFFAOYSA-N 0 0 313.401 3.484 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000076485471 527182169 /nfs/dbraw/zinc/18/21/69/527182169.db2.gz XJPRMXBXQNPGRN-UHFFFAOYSA-N 0 0 305.393 3.299 10 30 DGEERN C=CCCCN(C)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430970691 527185217 /nfs/dbraw/zinc/18/52/17/527185217.db2.gz IDUYBRSELKBBHX-UHFFFAOYSA-N 0 0 304.287 3.351 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccnc(C(F)(F)F)c1 ZINC000298354854 527185508 /nfs/dbraw/zinc/18/55/08/527185508.db2.gz HPBGFQOQMFKELE-UHFFFAOYSA-N 0 0 301.312 3.208 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000371019934 527189314 /nfs/dbraw/zinc/18/93/14/527189314.db2.gz VJIHUCIRWHXCQU-KRWDZBQOSA-N 0 0 324.428 3.023 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000346753380 527189322 /nfs/dbraw/zinc/18/93/22/527189322.db2.gz GKJDTTVFQJHRGA-ZDUSSCGKSA-N 0 0 320.820 3.118 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000360506467 527193914 /nfs/dbraw/zinc/19/39/14/527193914.db2.gz ZRWWZQRAOIJCER-UHFFFAOYSA-N 0 0 309.431 3.112 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000185791944 527198764 /nfs/dbraw/zinc/19/87/64/527198764.db2.gz RQYVSJKBRFCWRD-CZUORRHYSA-N 0 0 302.418 3.035 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000413690110 527199251 /nfs/dbraw/zinc/19/92/51/527199251.db2.gz ASFGXNHGEVKSCH-FVQBIDKESA-N 0 0 322.836 3.212 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000183733870 527199877 /nfs/dbraw/zinc/19/98/77/527199877.db2.gz DOXZXQFSEDIWAL-IUODEOHRSA-N 0 0 312.360 3.042 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1N1CCCCCC1 ZINC000183505231 527202371 /nfs/dbraw/zinc/20/23/71/527202371.db2.gz OQPVCAGNSTUOGO-OAHLLOKOSA-N 0 0 317.433 3.126 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000183371555 527202947 /nfs/dbraw/zinc/20/29/47/527202947.db2.gz BTMCTUIJVIMTAS-CYBMUJFWSA-N 0 0 324.471 3.224 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000337045648 527206960 /nfs/dbraw/zinc/20/69/60/527206960.db2.gz FPKAPFAJQRIXOB-CYBMUJFWSA-N 0 0 315.335 3.193 10 30 DGEERN C=CCCCNC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000448035399 527215785 /nfs/dbraw/zinc/21/57/85/527215785.db2.gz PTRCAAOJPZRREO-UHFFFAOYSA-N 0 0 306.406 3.202 10 30 DGEERN C=CCCCNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000344450837 527216544 /nfs/dbraw/zinc/21/65/44/527216544.db2.gz BASGKSWHOMDZBA-UHFFFAOYSA-N 0 0 311.307 3.138 10 30 DGEERN C=CCCCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000447965263 527219775 /nfs/dbraw/zinc/21/97/75/527219775.db2.gz SKFROGAHUUEGON-UHFFFAOYSA-N 0 0 305.378 3.183 10 30 DGEERN C=CCCCNC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434963442 527223501 /nfs/dbraw/zinc/22/35/01/527223501.db2.gz LEANLFKRDHENCL-UHFFFAOYSA-N 0 0 308.378 3.109 10 30 DGEERN C=CCCCNS(=O)(=O)c1cccc(C)c1Br ZINC000447942149 527234737 /nfs/dbraw/zinc/23/47/37/527234737.db2.gz UDKIMQFPRMZTQY-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC(=O)NC1 ZINC000356197542 527258521 /nfs/dbraw/zinc/25/85/21/527258521.db2.gz XJHKUHQEEGFFJS-CQSZACIVSA-N 0 0 300.402 3.003 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C[S@](C)=O ZINC000191481183 527259434 /nfs/dbraw/zinc/25/94/34/527259434.db2.gz BFTWSKWKNFVBBP-DMZKTXOQSA-N 0 0 322.474 3.427 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC000351175717 527280021 /nfs/dbraw/zinc/28/00/21/527280021.db2.gz YVNREDLUGJSPNA-QGZVFWFLSA-N 0 0 316.405 3.120 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](C)CC1 ZINC000350665095 527282380 /nfs/dbraw/zinc/28/23/80/527282380.db2.gz AWHVOOFKIAZSOJ-AWEZNQCLSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCCC(C)(C)C1 ZINC000337841673 527282519 /nfs/dbraw/zinc/28/25/19/527282519.db2.gz FVJPELCZBSJJAU-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000343492685 527295725 /nfs/dbraw/zinc/29/57/25/527295725.db2.gz NOFUAYOUYZRODZ-LBPRGKRZSA-N 0 0 315.373 3.220 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@H]1Cc1cccc(F)c1 ZINC000350751478 527299200 /nfs/dbraw/zinc/29/92/00/527299200.db2.gz DWYSJLZUPVURHW-INIZCTEOSA-N 0 0 300.381 3.123 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CC2(CCCC2)OC(C)(C)C1 ZINC000337812813 527305429 /nfs/dbraw/zinc/30/54/29/527305429.db2.gz MEVDUSYSBFYPDE-UHFFFAOYSA-N 0 0 316.449 3.270 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000337815398 527311847 /nfs/dbraw/zinc/31/18/47/527311847.db2.gz NVYIVVRDFYHNMY-SFHVURJKSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCCN(C)C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434896358 527311851 /nfs/dbraw/zinc/31/18/51/527311851.db2.gz QBTOWHIGNMPKCW-UHFFFAOYSA-N 0 0 308.378 3.061 10 30 DGEERN C=CCCN(C)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000352081305 527312922 /nfs/dbraw/zinc/31/29/22/527312922.db2.gz DTLOTJYERNMRPC-UHFFFAOYSA-N 0 0 302.374 3.470 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC000337877356 527315490 /nfs/dbraw/zinc/31/54/90/527315490.db2.gz ZVJRKCSQCZYXID-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(CCCc2cccs2)nnc1N1CCCC1 ZINC000337813354 527318880 /nfs/dbraw/zinc/31/88/80/527318880.db2.gz MNZZEAKJZMXHRV-UHFFFAOYSA-N 0 0 302.447 3.301 10 30 DGEERN C=CCn1c(COCC)nnc1N(C)Cc1ccc(F)cc1C ZINC000337864691 527321228 /nfs/dbraw/zinc/32/12/28/527321228.db2.gz PMPFMIRXNZLFBJ-UHFFFAOYSA-N 0 0 318.396 3.085 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CCCCC[C@@H]1C ZINC000351161524 527328113 /nfs/dbraw/zinc/32/81/13/527328113.db2.gz GSRWLSBKJLZMOT-HNNXBMFYSA-N 0 0 311.433 3.219 10 30 DGEERN C=CCCOCCCCC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000344150762 527329051 /nfs/dbraw/zinc/32/90/51/527329051.db2.gz WVRMAANEJPNZPE-UHFFFAOYSA-N 0 0 317.429 3.134 10 30 DGEERN C=CCCOCCCCC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000342976886 527335572 /nfs/dbraw/zinc/33/55/72/527335572.db2.gz FWCJJOBOPNPTJF-DOTOQJQBSA-N 0 0 317.429 3.430 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@@H](C)C1CC1 ZINC000351117163 527352447 /nfs/dbraw/zinc/35/24/47/527352447.db2.gz PODYSKNFXPKNMQ-GUYCJALGSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000337837389 527356884 /nfs/dbraw/zinc/35/68/84/527356884.db2.gz CUVIGKFZYKSJDA-OWCLPIDISA-N 0 0 318.465 3.231 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)[C@H](C)C1CC1 ZINC000351117161 527360632 /nfs/dbraw/zinc/36/06/32/527360632.db2.gz PODYSKNFXPKNMQ-CXAGYDPISA-N 0 0 324.428 3.375 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)[C@@H](C)C1CC1 ZINC000351117165 527360710 /nfs/dbraw/zinc/36/07/10/527360710.db2.gz PODYSKNFXPKNMQ-SUMWQHHRSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000123667295 527372938 /nfs/dbraw/zinc/37/29/38/527372938.db2.gz GMRBLELUKUDQPP-DOTOQJQBSA-N 0 0 317.429 3.210 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1nc(-c2ccsc2)ns1 ZINC000109109478 527387003 /nfs/dbraw/zinc/38/70/03/527387003.db2.gz IKHLYVOERISCAB-VIFPVBQESA-N 0 0 309.416 3.186 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000340911742 527388596 /nfs/dbraw/zinc/38/85/96/527388596.db2.gz CMDWTPNDVLXNMP-GFCCVEGCSA-N 0 0 316.426 3.203 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000362491781 527401512 /nfs/dbraw/zinc/40/15/12/527401512.db2.gz FSTSPKFHVONSPC-VXGBXAGGSA-N 0 0 304.415 3.455 10 30 DGEERN C=C[C@@H](C)NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000154162649 527415156 /nfs/dbraw/zinc/41/51/56/527415156.db2.gz IOQLQECIBRFYLN-GFCCVEGCSA-N 0 0 324.409 3.300 10 30 DGEERN C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)cn1)c1ccccc1 ZINC000348544840 527423118 /nfs/dbraw/zinc/42/31/18/527423118.db2.gz RUCRIKOWHQKUNR-AWEZNQCLSA-N 0 0 323.396 3.082 10 30 DGEERN C#Cc1ccc(CNC(=O)Cc2nc(C(C)C)c(C)s2)cc1 ZINC000296553438 527436067 /nfs/dbraw/zinc/43/60/67/527436067.db2.gz ZEMZJOBXOQPYDP-UHFFFAOYSA-N 0 0 312.438 3.415 10 30 DGEERN C=CCC[C@@H](NC(=O)C1(C(F)(F)F)CCCC1)C(=O)OCC ZINC000416249376 527437501 /nfs/dbraw/zinc/43/75/01/527437501.db2.gz XJTKBPGTLQYNJU-LLVKDONJSA-N 0 0 321.339 3.123 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccccc1 ZINC000130969119 527438781 /nfs/dbraw/zinc/43/87/81/527438781.db2.gz NJMRIQHPLHSXGR-CRAIPNDOSA-N 0 0 316.445 3.496 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@]2(C)CCCO2)c1 ZINC000132326145 527442802 /nfs/dbraw/zinc/44/28/02/527442802.db2.gz PXQJUOGPVYICJP-IBGZPJMESA-N 0 0 309.365 3.363 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000130555426 527458345 /nfs/dbraw/zinc/45/83/45/527458345.db2.gz JGNJFVSVTJZQRS-OAHLLOKOSA-N 0 0 323.400 3.039 10 30 DGEERN C=CCC[C@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051621 527462284 /nfs/dbraw/zinc/46/22/84/527462284.db2.gz CIOIFPIDOBLYJV-MJGOQNOKSA-N 0 0 323.440 3.486 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC2(CCCCC2)C1 ZINC000425855623 527494171 /nfs/dbraw/zinc/49/41/71/527494171.db2.gz MNLFUDVYDHQMAG-HOTGVXAUSA-N 0 0 306.450 3.333 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000425583979 527494298 /nfs/dbraw/zinc/49/42/98/527494298.db2.gz PFBJVSTUFBVVTG-XIRDDKMYSA-N 0 0 318.392 3.263 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(OCC)c1 ZINC000425430288 527495408 /nfs/dbraw/zinc/49/54/08/527495408.db2.gz FCFHYXKTNFHMIX-QRTARXTBSA-N 0 0 318.417 3.037 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]cc1-c1ccccc1F ZINC000424928048 527497197 /nfs/dbraw/zinc/49/71/97/527497197.db2.gz XRZHVXYHALGTCZ-SJCJKPOMSA-N 0 0 314.360 3.142 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC1(CC)CCC1 ZINC000337536889 527499354 /nfs/dbraw/zinc/49/93/54/527499354.db2.gz HHMCLHNTUIFMLU-UHFFFAOYSA-N 0 0 300.402 3.193 10 30 DGEERN C=CCN(C(=O)COc1ccc(/C=C\C)cc1OC)C1CC1 ZINC000357512617 527536142 /nfs/dbraw/zinc/53/61/42/527536142.db2.gz QBTDCSQJDXLOOR-XQRVVYSFSA-N 0 0 301.386 3.284 10 30 DGEERN C=CCN(C)c1nnc([C@H]2Cc3ccccc3O2)n1CC(=C)C ZINC000338859903 527578975 /nfs/dbraw/zinc/57/89/75/527578975.db2.gz CKUJJYFNRWEIIP-MRXNPFEDSA-N 0 0 310.401 3.153 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000417629148 527579269 /nfs/dbraw/zinc/57/92/69/527579269.db2.gz RTENJZBHZDAQEE-SNVBAGLBSA-N 0 0 316.170 3.097 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCn1cnc2ccccc21 ZINC000299380911 527585320 /nfs/dbraw/zinc/58/53/20/527585320.db2.gz JDQGCWZSNCTARJ-UHFFFAOYSA-N 0 0 311.307 3.003 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433316177 527586389 /nfs/dbraw/zinc/58/63/89/527586389.db2.gz FCDOMXKNJJWXQR-AWEZNQCLSA-N 0 0 310.319 3.336 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CSc1ccc(F)cc1 ZINC000342014016 527587146 /nfs/dbraw/zinc/58/71/46/527587146.db2.gz TVVJOJAXPALHTM-UHFFFAOYSA-N 0 0 307.312 3.495 10 30 DGEERN C=CCN(CC=C)C(=O)C(=O)Nc1csc2ccccc12 ZINC000352943765 527603821 /nfs/dbraw/zinc/60/38/21/527603821.db2.gz VVFVGWWIETYELR-UHFFFAOYSA-N 0 0 300.383 3.040 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000190968563 527610963 /nfs/dbraw/zinc/61/09/63/527610963.db2.gz YFUWQRAQBAYCHG-LJQANCHMSA-N 0 0 314.429 3.422 10 30 DGEERN C=CCN(CC=C)C(=O)Cc1cscc1Br ZINC000292577069 527618493 /nfs/dbraw/zinc/61/84/93/527618493.db2.gz UDJDDDRXOLWJNL-UHFFFAOYSA-N 0 0 300.221 3.254 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc2c1OCCC2 ZINC000378140198 527631099 /nfs/dbraw/zinc/63/10/99/527631099.db2.gz SLBXAPHMXOCDIT-CQSZACIVSA-N 0 0 300.402 3.013 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000355586931 527638166 /nfs/dbraw/zinc/63/81/66/527638166.db2.gz PLYZBWLHVLNWOK-OLZOCXBDSA-N 0 0 323.261 3.012 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NCc2conc2C)cc1 ZINC000353326751 527641206 /nfs/dbraw/zinc/64/12/06/527641206.db2.gz LESCRYXNFLPIFA-UHFFFAOYSA-N 0 0 311.385 3.409 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000433269672 527655426 /nfs/dbraw/zinc/65/54/26/527655426.db2.gz PHVDFKMUSZXZKF-UHFFFAOYSA-N 0 0 309.373 3.114 10 30 DGEERN C=CCN(CCC#N)CCCc1nc(-c2cccs2)no1 ZINC000428866361 527658482 /nfs/dbraw/zinc/65/84/82/527658482.db2.gz YRNPAOQINHEILW-UHFFFAOYSA-N 0 0 302.403 3.132 10 30 DGEERN C=CCN(CCC#N)Cc1ccc(Br)cc1OC ZINC000430098228 527660322 /nfs/dbraw/zinc/66/03/22/527660322.db2.gz IJNAOQOVPBQBHX-UHFFFAOYSA-N 0 0 309.207 3.359 10 30 DGEERN CC(C)CN(C(=O)c1ccc(C#N)n1C)c1ccc(C#N)cc1 ZINC000448823400 527906529 /nfs/dbraw/zinc/90/65/29/527906529.db2.gz LZZNOBWLPUFNLC-UHFFFAOYSA-N 0 0 306.369 3.071 10 30 DGEERN CCCC1(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CCC1 ZINC000329994070 528020807 /nfs/dbraw/zinc/02/08/07/528020807.db2.gz YZVPZQLAZHVPNG-KBPBESRZSA-N 0 0 320.412 3.320 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134334725 528117125 /nfs/dbraw/zinc/11/71/25/528117125.db2.gz LNZBELBLKBFSJY-WBVHZDCISA-N 0 0 321.465 3.053 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000109855861 528117963 /nfs/dbraw/zinc/11/79/63/528117963.db2.gz QIVNYIBSAKLHTE-OAHLLOKOSA-N 0 0 306.454 3.365 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000150713152 528119551 /nfs/dbraw/zinc/11/95/51/528119551.db2.gz ZZFQDCHUPTZHBK-CQSZACIVSA-N 0 0 306.454 3.193 10 30 DGEERN CCCCCCCCC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173556248 528120317 /nfs/dbraw/zinc/12/03/17/528120317.db2.gz NXHVORCDWDSYGP-CQSZACIVSA-N 0 0 322.453 3.018 10 30 DGEERN CCCCCCCCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127475314 528120475 /nfs/dbraw/zinc/12/04/75/528120475.db2.gz ADMRBMYMOXGDEM-MRXNPFEDSA-N 0 0 306.454 3.267 10 30 DGEERN CCCCCCCCCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000175636795 528127822 /nfs/dbraw/zinc/12/78/22/528127822.db2.gz PWJVXJNTGGVZRD-HNNXBMFYSA-N 0 0 321.469 3.471 10 30 DGEERN CC(C)CO[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181558233 528139942 /nfs/dbraw/zinc/13/99/42/528139942.db2.gz HJIMZPFTDIVUGS-KRWDZBQOSA-N 0 0 312.413 3.129 10 30 DGEERN CCOc1c(Cl)cccc1CC(=O)NC1(C#N)CCCC1 ZINC000191277316 528175710 /nfs/dbraw/zinc/17/57/10/528175710.db2.gz NRFOBWAAMBTFMT-UHFFFAOYSA-N 0 0 306.793 3.234 10 30 DGEERN CCOc1cc(C(=O)N(CCC#N)CC(F)(F)F)ccc1C ZINC000177613098 528209829 /nfs/dbraw/zinc/20/98/29/528209829.db2.gz RUWBBFQLVWMRPW-UHFFFAOYSA-N 0 0 314.307 3.312 10 30 DGEERN CC(C)C[C@@H](C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000184657271 528243378 /nfs/dbraw/zinc/24/33/78/528243378.db2.gz CBKBIWPLNCCPBN-AEFFLSMTSA-N 0 0 313.445 3.078 10 30 DGEERN CC(C)c1nnc2ccc(NC(=O)N[C@H](C)CC3CC3)cn21 ZINC000328758504 528467174 /nfs/dbraw/zinc/46/71/74/528467174.db2.gz VXMCIYWXMYAIPL-LLVKDONJSA-N 0 0 301.394 3.367 10 30 DGEERN CCOC(=O)C1(CNc2cc(C)nc(C)c2C#N)CCCC1 ZINC000302695579 528598403 /nfs/dbraw/zinc/59/84/03/528598403.db2.gz DKQSPJHFJUUWSJ-UHFFFAOYSA-N 0 0 301.390 3.106 10 30 DGEERN CC(C)n1nnnc1CNc1ccccc1S[C@@H](C)CC#N ZINC000109002246 528701158 /nfs/dbraw/zinc/70/11/58/528701158.db2.gz ZGYSRSOZZKCBFK-LBPRGKRZSA-N 0 0 316.434 3.260 10 30 DGEERN CCC(CC)CN(CCC#N)Cc1nnc(C2CCC2)n1C ZINC000181409406 528752184 /nfs/dbraw/zinc/75/21/84/528752184.db2.gz JWUMNPNRMFVGBA-UHFFFAOYSA-N 0 0 303.454 3.234 10 30 DGEERN CC(C)[C@@H]1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)c2ccccc21 ZINC000329847282 528755265 /nfs/dbraw/zinc/75/52/65/528755265.db2.gz MRJQJHIGGCKCFO-WFASDCNBSA-N 0 0 315.417 3.485 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175920782 528857726 /nfs/dbraw/zinc/85/77/26/528857726.db2.gz BQHUHHHPWPJGIE-GOSISDBHSA-N 0 0 324.384 3.282 10 30 DGEERN CCN(C(=O)c1ccc2c(n1)CCCC2)c1ccc(C#N)cc1 ZINC000328709314 529088341 /nfs/dbraw/zinc/08/83/41/529088341.db2.gz FULVYXYNRKXTHA-UHFFFAOYSA-N 0 0 305.381 3.499 10 30 DGEERN CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC(C)(C#N)C1 ZINC000361206246 529162052 /nfs/dbraw/zinc/16/20/52/529162052.db2.gz LBJOVNYPGBFWPS-HNNXBMFYSA-N 0 0 300.402 3.339 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000183793420 529300565 /nfs/dbraw/zinc/30/05/65/529300565.db2.gz BGYGKVUHNQNJBA-SNVBAGLBSA-N 0 0 303.749 3.417 10 30 DGEERN C=CCOc1ccc(CNc2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000122430500 545901540 /nfs/dbraw/zinc/90/15/40/545901540.db2.gz SYIHXNKWHSZKFV-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN COc1ccc(Br)c(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000230686539 546275170 /nfs/dbraw/zinc/27/51/70/546275170.db2.gz PQXDLSUEJCCFIP-QMTHXVAHSA-N 0 0 309.207 3.240 10 30 DGEERN Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc3nccnc3c1)CCC2 ZINC000328821873 546481501 /nfs/dbraw/zinc/48/15/01/546481501.db2.gz OZILFKLZSFFEMA-CQSZACIVSA-N 0 0 321.384 3.017 10 30 DGEERN O=C(Nc1scnc1C1CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328933658 546482984 /nfs/dbraw/zinc/48/29/84/546482984.db2.gz PUUIORXDGQZUKQ-BLLLJJGKSA-N 0 0 321.446 3.193 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(C(=O)NCC2CCCC2)C1 ZINC000329579021 546487480 /nfs/dbraw/zinc/48/74/80/546487480.db2.gz KRQJYRKOVZCCRW-OAHLLOKOSA-N 0 0 304.438 3.187 10 30 DGEERN O=C(NC1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000330019029 546493714 /nfs/dbraw/zinc/49/37/14/546493714.db2.gz UMDZGDJZWWEYNG-LVBITLCTSA-N 0 0 322.449 3.419 10 30 DGEERN CCn1nc(NC(=O)N[C@@H](C)c2csc(C)n2)cc1C1CC1 ZINC000330283889 546497540 /nfs/dbraw/zinc/49/75/40/546497540.db2.gz WSFMEPOMSXRCAY-VIFPVBQESA-N 0 0 319.434 3.632 10 30 DGEERN C[C@@]12CN(C(=O)NCc3ccc(C#N)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333821514 546512287 /nfs/dbraw/zinc/51/22/87/546512287.db2.gz JYKWUJNMNZSQLA-DFEOGRTESA-N 0 0 309.413 3.136 10 30 DGEERN CC(C)(C)[C@@H](O)CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246332 549811252 /nfs/dbraw/zinc/81/12/52/549811252.db2.gz VEOHRVZQYUGHHM-ZDUSSCGKSA-N 0 0 321.218 3.474 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)c2cc(C)nn2CC)cc1 ZINC000730426651 574528964 /nfs/dbraw/zinc/52/89/64/574528964.db2.gz BHIBWUAKZQRPQG-AWEZNQCLSA-N 0 0 312.369 3.141 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)CC[C@H]2CCCO2)cc1 ZINC000730428454 574529003 /nfs/dbraw/zinc/52/90/03/574529003.db2.gz DORBALSPJJDZQQ-GOEBONIOSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@@H](C)OCC(C)C)c1 ZINC000730699402 574533958 /nfs/dbraw/zinc/53/39/58/574533958.db2.gz FBCCSZBAPLDPBH-LSDHHAIUSA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1cccc(OC(=O)CCc2cccc(OC)c2)c1 ZINC000730694989 574533971 /nfs/dbraw/zinc/53/39/71/574533971.db2.gz DPSBANWFWMZZPH-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)CC[C@H]2CCCO2)c1 ZINC000730702013 574534259 /nfs/dbraw/zinc/53/42/59/574534259.db2.gz XBJMOKYDFCLDRA-GDBMZVCRSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)CCOCC(C)C)c1 ZINC000730702188 574534315 /nfs/dbraw/zinc/53/43/15/574534315.db2.gz YKYXBEJOEFJQIG-HNNXBMFYSA-N 0 0 304.386 3.366 10 30 DGEERN C#CCOc1ccccc1OS(=O)(=O)c1cc(C)sc1C ZINC000730574481 574532245 /nfs/dbraw/zinc/53/22/45/574532245.db2.gz XFSGPARMGYBNAB-UHFFFAOYSA-N 0 0 322.407 3.145 10 30 DGEERN C#CCOc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000731113869 574543834 /nfs/dbraw/zinc/54/38/34/574543834.db2.gz VVILCEYRXPXRCL-UHFFFAOYSA-N 0 0 323.327 3.031 10 30 DGEERN Cc1cccc(C=NNc2ccc(S(C)(=O)=O)cc2)c1C ZINC000731150745 574544023 /nfs/dbraw/zinc/54/40/23/574544023.db2.gz DZOSOPXVVRCIED-UHFFFAOYSA-N 0 0 302.399 3.153 10 30 DGEERN C=CCSc1nc2ccccc2n1CN(C)Cc1cc[nH]n1 ZINC000732665843 574578018 /nfs/dbraw/zinc/57/80/18/574578018.db2.gz WPYHFBHANPSUBC-UHFFFAOYSA-N 0 0 313.430 3.127 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](C)Cc2cccc(OC)c2)c1 ZINC000733031561 574592297 /nfs/dbraw/zinc/59/22/97/574592297.db2.gz MSDDIMRTZCVENL-CQSZACIVSA-N 0 0 308.381 3.429 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@H]2CCC[C@H](C)C2)c1 ZINC000733053542 574593275 /nfs/dbraw/zinc/59/32/75/574593275.db2.gz JNLQHGUIMJQPPO-RDJZCZTQSA-N 0 0 316.397 3.337 10 30 DGEERN C#CCN(C(=O)c1cc(Cl)nc(N(C)C)c1)C1CCCCC1 ZINC000733099598 574597101 /nfs/dbraw/zinc/59/71/01/574597101.db2.gz JPSVCMYVNRTQNY-UHFFFAOYSA-N 0 0 319.836 3.209 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@@H](CC)OC1CCCC1 ZINC000733104759 574597886 /nfs/dbraw/zinc/59/78/86/574597886.db2.gz MICXHHFEYHDAHG-OAHLLOKOSA-N 0 0 302.370 3.342 10 30 DGEERN C#CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000733246643 574609751 /nfs/dbraw/zinc/60/97/51/574609751.db2.gz NATJAAWARGSFRB-UHFFFAOYSA-N 0 0 301.349 3.050 10 30 DGEERN C=C(Br)CNC(=O)c1ccccc1N1CCCCC1 ZINC000733256094 574610425 /nfs/dbraw/zinc/61/04/25/574610425.db2.gz NYKYSLJYWZJESQ-UHFFFAOYSA-N 0 0 323.234 3.315 10 30 DGEERN C#CCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000733288397 574613029 /nfs/dbraw/zinc/61/30/29/574613029.db2.gz MWQWZGCHDBQIQU-UHFFFAOYSA-N 0 0 305.377 3.456 10 30 DGEERN C#CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000733622583 574631996 /nfs/dbraw/zinc/63/19/96/574631996.db2.gz VGWRLLHEMIVRRH-SFHVURJKSA-N 0 0 303.365 3.487 10 30 DGEERN C#CCCNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000733616773 574632647 /nfs/dbraw/zinc/63/26/47/574632647.db2.gz GKULUKRSHAGRRX-UHFFFAOYSA-N 0 0 322.290 3.036 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@H]2CCCC[C@@H]2C)c1 ZINC000733698732 574634831 /nfs/dbraw/zinc/63/48/31/574634831.db2.gz YGVQBCQBNKVOAD-YJBOKZPZSA-N 0 0 316.397 3.337 10 30 DGEERN C#CC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000733873270 574641414 /nfs/dbraw/zinc/64/14/14/574641414.db2.gz LHYHOEFKENRWSN-UHFFFAOYSA-N 0 0 319.364 3.340 10 30 DGEERN CC[C@H](CC1CCCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000733934877 574643887 /nfs/dbraw/zinc/64/38/87/574643887.db2.gz LNYHCOOIYOCJNG-AEFFLSMTSA-N 0 0 317.477 3.182 10 30 DGEERN C=CCN(C(=O)Cc1ccc(Br)s1)C(C)C ZINC000733917787 574644651 /nfs/dbraw/zinc/64/46/51/574644651.db2.gz UFVAGGPLAHFBAX-UHFFFAOYSA-N 0 0 302.237 3.476 10 30 DGEERN C=C(COC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)OCC ZINC000734028782 574647556 /nfs/dbraw/zinc/64/75/56/574647556.db2.gz NTSAQIGPPGUQPU-UHFFFAOYSA-N 0 0 320.360 3.300 10 30 DGEERN C=C(COC(=O)c1oc2c(cccc2F)c1C)C(=O)OCC ZINC000734026897 574647588 /nfs/dbraw/zinc/64/75/88/574647588.db2.gz DGOICWSWUUECEK-UHFFFAOYSA-N 0 0 306.289 3.156 10 30 DGEERN C=C(COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C(=O)OCC ZINC000734029587 574647823 /nfs/dbraw/zinc/64/78/23/574647823.db2.gz UFSJANMMFNQHHE-KBPBESRZSA-N 0 0 308.761 3.106 10 30 DGEERN C=C(COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C(=O)OCC ZINC000734029594 574647879 /nfs/dbraw/zinc/64/78/79/574647879.db2.gz UFSJANMMFNQHHE-UONOGXRCSA-N 0 0 308.761 3.106 10 30 DGEERN C=C(COC(=O)c1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000734024256 574648420 /nfs/dbraw/zinc/64/84/20/574648420.db2.gz JAAVDKFGFQUHGH-UHFFFAOYSA-N 0 0 303.141 3.270 10 30 DGEERN C=CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000734237679 574655109 /nfs/dbraw/zinc/65/51/09/574655109.db2.gz SICAFRBMQSKSHJ-QGZVFWFLSA-N 0 0 309.369 3.087 10 30 DGEERN CCCCCC[C@H](CC)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000735012777 574685624 /nfs/dbraw/zinc/68/56/24/574685624.db2.gz HYXLPZSPVNIOOC-DOTOQJQBSA-N 0 0 305.466 3.182 10 30 DGEERN C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)NC1CC1 ZINC000735320517 574697394 /nfs/dbraw/zinc/69/73/94/574697394.db2.gz WEUJVQMNQIKRIV-SNVBAGLBSA-N 0 0 324.833 3.143 10 30 DGEERN CN(C(=O)CSCc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735317473 574697644 /nfs/dbraw/zinc/69/76/44/574697644.db2.gz AXOXJUVLPFZQQC-UHFFFAOYSA-N 0 0 324.833 3.096 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2ccccc2SCC#N)s1 ZINC000736152111 574733417 /nfs/dbraw/zinc/73/34/17/574733417.db2.gz JBJDFHQZRXHJNU-UHFFFAOYSA-N 0 0 317.395 3.214 10 30 DGEERN C#CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000736294788 574740412 /nfs/dbraw/zinc/74/04/12/574740412.db2.gz MUIRHFZFUOQEAG-UHFFFAOYSA-N 0 0 317.732 3.267 10 30 DGEERN C=CCCCN(C)C(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C ZINC000736577221 574759478 /nfs/dbraw/zinc/75/94/78/574759478.db2.gz CWFVTULWCSVNJJ-KRWDZBQOSA-N 0 0 312.454 3.495 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC(F)(F)C(F)F ZINC000736619280 574760321 /nfs/dbraw/zinc/76/03/21/574760321.db2.gz DNRYMGAIDTYIMR-UHFFFAOYSA-N 0 0 306.259 3.483 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000736956877 574812469 /nfs/dbraw/zinc/81/24/69/574812469.db2.gz ZRUVNFJSCLAVQV-UHFFFAOYSA-N 0 0 317.389 3.069 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000739368117 574900832 /nfs/dbraw/zinc/90/08/32/574900832.db2.gz RYGOBGGCXCQEIL-HRCADAONSA-N 0 0 302.370 3.222 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000739368113 574900939 /nfs/dbraw/zinc/90/09/39/574900939.db2.gz RYGOBGGCXCQEIL-BZUAXINKSA-N 0 0 302.370 3.222 10 30 DGEERN C#CCSCCNC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000739826071 574912883 /nfs/dbraw/zinc/91/28/83/574912883.db2.gz NCJVKGKCITVRIC-UHFFFAOYSA-N 0 0 317.454 3.494 10 30 DGEERN C#CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000740025411 574919464 /nfs/dbraw/zinc/91/94/64/574919464.db2.gz FSJIBPFFLJLUGO-HNNXBMFYSA-N 0 0 322.861 3.457 10 30 DGEERN CC(CCC1CCCC1)=NNC(=S)NCCc1ccccn1 ZINC000740761920 574941610 /nfs/dbraw/zinc/94/16/10/574941610.db2.gz QURICVNACFLLHA-UHFFFAOYSA-N 0 0 318.490 3.435 10 30 DGEERN CC(=NNCc1cccc2cccnc21)c1cnc(C)nc1C ZINC000741460418 574958596 /nfs/dbraw/zinc/95/85/96/574958596.db2.gz POJKZWQTMUWAHJ-UHFFFAOYSA-N 0 0 305.385 3.155 10 30 DGEERN C(=Nn1cnnc1-c1ccccc1)c1c[nH]c(-c2ccccc2)n1 ZINC000741462043 574958663 /nfs/dbraw/zinc/95/86/63/574958663.db2.gz ITJJYZOPRGWUOG-UHFFFAOYSA-N 0 0 314.352 3.217 10 30 DGEERN C#CCOc1ccc(C(=O)NCc2ccc3ccccc3n2)cc1 ZINC000741539600 574962300 /nfs/dbraw/zinc/96/23/00/574962300.db2.gz LIGKQMRYISIJNA-UHFFFAOYSA-N 0 0 316.360 3.177 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000741547737 574962597 /nfs/dbraw/zinc/96/25/97/574962597.db2.gz UEHGFZMYIHAQRK-GOSISDBHSA-N 0 0 309.340 3.255 10 30 DGEERN C=CCCC(=O)Oc1ccc(OCc2nc(CC)no2)cc1 ZINC000741625623 574964459 /nfs/dbraw/zinc/96/44/59/574964459.db2.gz PEDFTOAWWIGDKT-UHFFFAOYSA-N 0 0 302.330 3.083 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000741638093 574965021 /nfs/dbraw/zinc/96/50/21/574965021.db2.gz HQKWAADSYVKBBI-CYBMUJFWSA-N 0 0 312.344 3.365 10 30 DGEERN N#Cc1ccc(COC(=O)c2ccc(N3CC=CC3)cc2)cc1 ZINC000741742321 574968484 /nfs/dbraw/zinc/96/84/84/574968484.db2.gz AFSQBYKZFVORPI-UHFFFAOYSA-N 0 0 304.349 3.291 10 30 DGEERN C=CCNC(=S)N1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000741875859 574974678 /nfs/dbraw/zinc/97/46/78/574974678.db2.gz WOYXLWFEBVOEPU-GOEBONIOSA-N 0 0 304.459 3.126 10 30 DGEERN C#CCN(CC#CC)C(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000742001239 574978963 /nfs/dbraw/zinc/97/89/63/574978963.db2.gz VLQRXFMDRGWBJG-GOSISDBHSA-N 0 0 311.425 3.453 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1ccc(-n2cncn2)cc1 ZINC000742376439 574994189 /nfs/dbraw/zinc/99/41/89/574994189.db2.gz SNWCKUCSRFVSQT-UHFFFAOYSA-N 0 0 322.343 3.031 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1cnn(-c2ccccc2)n1 ZINC000742375128 574993652 /nfs/dbraw/zinc/99/36/52/574993652.db2.gz ICVHJSGMNAQULV-UHFFFAOYSA-N 0 0 322.343 3.031 10 30 DGEERN C#CCCCNC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000743077674 575034987 /nfs/dbraw/zinc/03/49/87/575034987.db2.gz DZPHPKXRYYCDRK-UHFFFAOYSA-N 0 0 317.389 3.408 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000729749820 575262110 /nfs/dbraw/zinc/26/21/10/575262110.db2.gz KRWMTDHONRYVFU-IHRRRGAJSA-N 0 0 309.406 3.284 10 30 DGEERN C=CCOCC(=O)O[C@H](C)c1ccc(F)c(Br)c1 ZINC000729894687 575265814 /nfs/dbraw/zinc/26/58/14/575265814.db2.gz PNLOBYRCFRCIHI-SECBINFHSA-N 0 0 317.154 3.395 10 30 DGEERN Cc1ccc([C@H](C)CNC(=O)COc2cccc(C#N)c2)cc1 ZINC000737649363 575908537 /nfs/dbraw/zinc/90/85/37/575908537.db2.gz PRWQMGLSOPWYBW-OAHLLOKOSA-N 0 0 308.381 3.165 10 30 DGEERN C#CCOc1ccc(C=NNCc2ccc(F)cc2F)cc1 ZINC000727060038 576099747 /nfs/dbraw/zinc/09/97/47/576099747.db2.gz FLGYHZKVFKGLLI-UHFFFAOYSA-N 0 0 300.308 3.101 10 30 DGEERN C#Cc1cccc(NC(=S)N[C@H](COC)c2ccccc2)c1 ZINC000727088353 576106265 /nfs/dbraw/zinc/10/62/65/576106265.db2.gz FNDVUJFVRFTBQC-QGZVFWFLSA-N 0 0 310.422 3.342 10 30 DGEERN CC(N=Nc1ccc(Br)cn1)c1ccccc1O ZINC000727265758 576116196 /nfs/dbraw/zinc/11/61/96/576116196.db2.gz XGQURQUIHRJOEH-UHFFFAOYSA-N 0 0 306.163 3.386 10 30 DGEERN Cc1ccc(NN=C2c3cccc(C(F)(F)F)c3NC2=O)nc1 ZINC000727260171 576116718 /nfs/dbraw/zinc/11/67/18/576116718.db2.gz RMMVTBPJEFTBGP-UHFFFAOYSA-N 0 0 320.274 3.177 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 ZINC000728479404 576184167 /nfs/dbraw/zinc/18/41/67/576184167.db2.gz QKFCSUVWLBWUOO-OAHLLOKOSA-N 0 0 323.392 3.497 10 30 DGEERN C=CC1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000110967985 620657059 /nfs/dbraw/zinc/65/70/59/620657059.db2.gz PDRTZGOYNHEZPP-OAHLLOKOSA-N 0 0 324.465 3.350 10 30 DGEERN COCCCOc1cccc(C(=O)O[C@H](C#N)C(C)(C)C)c1 ZINC000154490094 620682256 /nfs/dbraw/zinc/68/22/56/620682256.db2.gz SOFGAGJXMTYKLJ-OAHLLOKOSA-N 0 0 305.374 3.197 10 30 DGEERN C#CCOc1ccccc1OC[C@H](O)c1ccccc1Cl ZINC000154990502 620752854 /nfs/dbraw/zinc/75/28/54/620752854.db2.gz SVVHXSUQEZRWQN-HNNXBMFYSA-N 0 0 302.757 3.464 10 30 DGEERN C#C[C@@H](OC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000152514130 617999296 /nfs/dbraw/zinc/99/92/96/617999296.db2.gz MXGMTAVYBJJSMO-OAHLLOKOSA-N 0 0 300.745 3.094 10 30 DGEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cc(C)nc(Cl)c1 ZINC000898075323 619213686 /nfs/dbraw/zinc/21/36/86/619213686.db2.gz PXFDYJLHVJNACX-ZFWWWQNUSA-N 0 0 308.809 3.031 10 30 DGEERN C=CCCOC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151308063 620437826 /nfs/dbraw/zinc/43/78/26/620437826.db2.gz MCQVGHIOVCXJOO-JTQLQIEISA-N 0 0 314.307 3.028 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1nc(C2CCCC2)no1 ZINC000152006355 620487476 /nfs/dbraw/zinc/48/74/76/620487476.db2.gz ABFMTTXHTSRNQZ-UHFFFAOYSA-N 0 0 315.348 3.490 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)CCc2ccc(F)cc2)cc1 ZINC000152156581 620494873 /nfs/dbraw/zinc/49/48/73/620494873.db2.gz TTZVSGJIBBYAFB-UHFFFAOYSA-N 0 0 311.356 3.152 10 30 DGEERN C#C[C@H](OC(=O)[C@@H](C)Oc1cccc(Br)c1)C1CC1 ZINC000152398924 620504622 /nfs/dbraw/zinc/50/46/22/620504622.db2.gz KDZAYUVKXOOPPX-YGRLFVJLSA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@H](OC(=O)C1(c2cccc(Br)c2)CC1)C1CC1 ZINC000152423842 620506362 /nfs/dbraw/zinc/50/63/62/620506362.db2.gz UJXNKSNZJNHQFC-AWEZNQCLSA-N 0 0 319.198 3.436 10 30 DGEERN C#CC[C@H](OC(=O)Cc1c(CC)noc1CC)c1ccccn1 ZINC000153031537 620531353 /nfs/dbraw/zinc/53/13/53/620531353.db2.gz JSFRKMAQLGKVPD-KRWDZBQOSA-N 0 0 312.369 3.045 10 30 DGEERN N#C[C@@H](COC(=O)COC1CCCCC1)Cc1cccs1 ZINC000153296811 620546989 /nfs/dbraw/zinc/54/69/89/620546989.db2.gz NVPLOVSAEKRAIO-ZDUSSCGKSA-N 0 0 307.415 3.323 10 30 DGEERN COCc1ccccc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000153349917 620553597 /nfs/dbraw/zinc/55/35/97/620553597.db2.gz FRFUMYKBWNEPEE-ZDUSSCGKSA-N 0 0 315.394 3.434 10 30 DGEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000153919861 620622952 /nfs/dbraw/zinc/62/29/52/620622952.db2.gz DOUIBBKIXBRSEK-JTQLQIEISA-N 0 0 314.813 3.206 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@H]1CCCC[C@H]1C ZINC000112817387 620856249 /nfs/dbraw/zinc/85/62/49/620856249.db2.gz QUWAJXRWALZOLQ-CABCVRRESA-N 0 0 302.370 3.199 10 30 DGEERN C#CCCCCC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000119922437 621754109 /nfs/dbraw/zinc/75/41/09/621754109.db2.gz ZKOXHCFVTFUFST-CYBMUJFWSA-N 0 0 308.447 3.393 10 30 DGEERN C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1F)C1CCCC1 ZINC000120491643 621897090 /nfs/dbraw/zinc/89/70/90/621897090.db2.gz QOAKRXFHYYCFHQ-DOTOQJQBSA-N 0 0 300.377 3.269 10 30 DGEERN CCCCCCCCCCNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000120680320 621970087 /nfs/dbraw/zinc/97/00/87/621970087.db2.gz MSASVRZQLVSWMG-OAHLLOKOSA-N 0 0 311.470 3.047 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000120709608 621982318 /nfs/dbraw/zinc/98/23/18/621982318.db2.gz DAXQMEXNISXOJV-QWHCGFSZSA-N 0 0 304.365 3.490 10 30 DGEERN CCc1cccc(CC(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000125594275 623492108 /nfs/dbraw/zinc/49/21/08/623492108.db2.gz PMVILYJWRJCNCS-UHFFFAOYSA-N 0 0 312.344 3.472 10 30 DGEERN C=CCc1cc(C(=O)NCCCCSC)cc(OC)c1OC ZINC000125862733 623577909 /nfs/dbraw/zinc/57/79/09/623577909.db2.gz CWHFUDPPSJDOMR-UHFFFAOYSA-N 0 0 323.458 3.305 10 30 DGEERN C=CCOc1ccc(C(=O)OCCc2c(C)nn(C)c2C)cc1 ZINC000126926975 624192110 /nfs/dbraw/zinc/19/21/10/624192110.db2.gz JUBWRLPGBDRYHA-UHFFFAOYSA-N 0 0 314.385 3.001 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cncs1 ZINC000129646173 625716881 /nfs/dbraw/zinc/71/68/81/625716881.db2.gz GIHNLFHFTPEWPH-OAHLLOKOSA-N 0 0 316.382 3.162 10 30 DGEERN Cc1cccc(SCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128552808 624993974 /nfs/dbraw/zinc/99/39/74/624993974.db2.gz XYTIVXMQXSMOOR-UHFFFAOYSA-N 0 0 317.435 3.433 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000130607776 625880406 /nfs/dbraw/zinc/88/04/06/625880406.db2.gz YAIFTOAQGNBWIB-KRWDZBQOSA-N 0 0 304.349 3.406 10 30 DGEERN CCCOc1ccc(OCC(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000131242151 626614974 /nfs/dbraw/zinc/61/49/74/626614974.db2.gz XUJPOFAGELUUBU-CYBMUJFWSA-N 0 0 305.374 3.336 10 30 DGEERN C=CCc1cc(C(=O)O[C@H](COC)C2CC2)cc(OC)c1OC ZINC000131738559 626674752 /nfs/dbraw/zinc/67/47/52/626674752.db2.gz LKNXAKGOXVEHCD-MRXNPFEDSA-N 0 0 320.385 3.014 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000134767267 626886350 /nfs/dbraw/zinc/88/63/50/626886350.db2.gz YKKXJTJCMKZJIP-LBPRGKRZSA-N 0 0 310.394 3.041 10 30 DGEERN CCCCCCNC(=O)[C@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136406901 627071368 /nfs/dbraw/zinc/07/13/68/627071368.db2.gz MEERDEUUBYMQBI-CYBMUJFWSA-N 0 0 314.376 3.217 10 30 DGEERN Cc1c(C(=O)O[C@@H](C)c2ccc(F)c(F)c2)cnn1CCC#N ZINC000889766385 627466205 /nfs/dbraw/zinc/46/62/05/627466205.db2.gz SPSOJBQSAZKOKQ-NSHDSACASA-N 0 0 319.311 3.301 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccnc(Cl)c1 ZINC000101964351 629882905 /nfs/dbraw/zinc/88/29/05/629882905.db2.gz SSZDXRIKBHKPTP-LLVKDONJSA-N 0 0 316.744 3.117 10 30 DGEERN COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1NC(C)=O ZINC000102200896 629997625 /nfs/dbraw/zinc/99/76/25/629997625.db2.gz ZMTMCKZOMPJFFD-SOFGYWHQSA-N 0 0 311.337 3.255 10 30 DGEERN COc1ccc(O)c(/C=N/CCOc2ccc(F)cc2F)c1 ZINC000106586325 631343373 /nfs/dbraw/zinc/34/33/73/631343373.db2.gz XBQLPTDDXWYQHG-VXLYETTFSA-N 0 0 307.296 3.177 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccccc1OCC#N ZINC000106696178 631443645 /nfs/dbraw/zinc/44/36/45/631443645.db2.gz JDZKDUIFAULKOH-OAHLLOKOSA-N 0 0 316.401 3.010 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](C)OCCC=C ZINC000107059913 631517290 /nfs/dbraw/zinc/51/72/90/631517290.db2.gz MAHGUHBFNCWYFH-CABCVRRESA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc(C)nn1CC ZINC000107060247 631517526 /nfs/dbraw/zinc/51/75/26/631517526.db2.gz WCTBNTRREHNJOK-CQSZACIVSA-N 0 0 312.369 3.141 10 30 DGEERN N#C[C@@H](C(=O)CCCCCc1cccs1)C(=O)N1CCCC1 ZINC000109184281 632086194 /nfs/dbraw/zinc/08/61/94/632086194.db2.gz FCFBGBQBSZPLJK-HNNXBMFYSA-N 0 0 318.442 3.182 10 30 DGEERN COc1ccccc1[C@H](O)CNc1ccc(C#N)c(Cl)c1 ZINC000110203188 632497360 /nfs/dbraw/zinc/49/73/60/632497360.db2.gz IPSOXABOZGUOFL-OAHLLOKOSA-N 0 0 302.761 3.366 10 30 DGEERN COc1ccc(C(=O)CCC(=O)OCC(C)(C)CC#N)cc1F ZINC000184819446 660188773 /nfs/dbraw/zinc/18/87/73/660188773.db2.gz AENPYQWYCLDZFB-UHFFFAOYSA-N 0 0 321.348 3.280 10 30 DGEERN C#CCC(C)(C)COC(=O)C1(c2ccccc2)CCOCC1 ZINC000185362491 660218518 /nfs/dbraw/zinc/21/85/18/660218518.db2.gz YBCXNIZHJFUZEH-UHFFFAOYSA-N 0 0 300.398 3.328 10 30 DGEERN C#CCC(C)(C)COC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000185376430 660219217 /nfs/dbraw/zinc/21/92/17/660219217.db2.gz MLACZYCWBSXJNL-UHFFFAOYSA-N 0 0 304.434 3.291 10 30 DGEERN N#CC1(COC(=O)c2ccnc(OCC(F)F)c2)CCCCC1 ZINC000183720165 660132630 /nfs/dbraw/zinc/13/26/30/660132630.db2.gz YARSSGQFSZLRSY-UHFFFAOYSA-N 0 0 324.327 3.356 10 30 DGEERN C=CCOc1ccc(C(=O)OCCc2cccnc2)cc1OC ZINC000073300131 660262762 /nfs/dbraw/zinc/26/27/62/660262762.db2.gz ZRFUQCIIEJJTJG-UHFFFAOYSA-N 0 0 313.353 3.055 10 30 DGEERN CC(C)OC[C@H](O)CNc1ccccc1S[C@H](C)CC#N ZINC000186069730 660264903 /nfs/dbraw/zinc/26/49/03/660264903.db2.gz DNKLBBLFMOGACE-ZIAGYGMSSA-N 0 0 308.447 3.279 10 30 DGEERN C#C[C@@H](NCc1snc(OC)c1Br)C(C)(C)C ZINC000702246122 660717067 /nfs/dbraw/zinc/71/70/67/660717067.db2.gz MKJNZTRJPGAMBK-SECBINFHSA-N 0 0 317.252 3.052 10 30 DGEERN C#CC(C)(C)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000704265771 660806432 /nfs/dbraw/zinc/80/64/32/660806432.db2.gz MNIHNRRGXOCCMU-LLVKDONJSA-N 0 0 308.219 3.471 10 30 DGEERN N#C[C@H]1CCCN(c2nc3cc(Br)ccc3o2)C1 ZINC000705916477 660840858 /nfs/dbraw/zinc/84/08/58/660840858.db2.gz AQLALXGQCDAZQG-SECBINFHSA-N 0 0 306.163 3.330 10 30 DGEERN CC(C)(C)OC(=O)N1CC(CNc2cccc(CC#N)c2)C1 ZINC000710920191 660936691 /nfs/dbraw/zinc/93/66/91/660936691.db2.gz UGGVODYOZMWMOP-UHFFFAOYSA-N 0 0 301.390 3.031 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@@H]1CCC2(CCC2)O1 ZINC000711505259 660955539 /nfs/dbraw/zinc/95/55/39/660955539.db2.gz ZWCYYNAVKGGLPC-LBPRGKRZSA-N 0 0 322.206 3.229 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)c1cccc2ncccc21 ZINC000074192474 660958877 /nfs/dbraw/zinc/95/88/77/660958877.db2.gz ZTWXUCZUQKIKCZ-UHFFFAOYSA-N 0 0 304.305 3.334 10 30 DGEERN C=C(Br)COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187183980 655543008 /nfs/dbraw/zinc/54/30/08/655543008.db2.gz UHRBASDQYIMVFL-UHFFFAOYSA-N 0 0 306.159 3.042 10 30 DGEERN C=C[C@H](C)OC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000187536599 655550774 /nfs/dbraw/zinc/55/07/74/655550774.db2.gz UDWQHEXDNBVQDT-NSHDSACASA-N 0 0 303.337 3.261 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000187563089 655551828 /nfs/dbraw/zinc/55/18/28/655551828.db2.gz UNFKCLWVLQPXRY-KRWDZBQOSA-N 0 0 308.422 3.332 10 30 DGEERN C=C[C@H](C)OC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000187636823 655553734 /nfs/dbraw/zinc/55/37/34/655553734.db2.gz XEARKBMKIVFQIZ-ZDUSSCGKSA-N 0 0 319.426 3.132 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCOc2ccccc21 ZINC000187633605 655553770 /nfs/dbraw/zinc/55/37/70/655553770.db2.gz ZNCCLTNKOKPEOH-KSSFIOAISA-N 0 0 304.386 3.325 10 30 DGEERN N#Cc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255032729 655566924 /nfs/dbraw/zinc/56/69/24/655566924.db2.gz IHJDTPLOTHVVFR-KTKRTIGZSA-N 0 0 302.330 3.110 10 30 DGEERN C=CCSCCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255064177 655588966 /nfs/dbraw/zinc/58/89/66/655588966.db2.gz DDERLSYZZDMGJO-ALCCZGGFSA-N 0 0 322.386 3.112 10 30 DGEERN Cn1cc(C(=O)/C=C\c2ccc(Br)c(F)c2)cn1 ZINC000255078915 655594686 /nfs/dbraw/zinc/59/46/86/655594686.db2.gz HLQXXOTXHXLEGF-HYXAFXHYSA-N 0 0 309.138 3.218 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)/C=C\c1ccccc1C#N ZINC000255151095 655614784 /nfs/dbraw/zinc/61/47/84/655614784.db2.gz KTTGLHBYICYYLI-TWGQIWQCSA-N 0 0 304.349 3.169 10 30 DGEERN c1ccc(-c2nnc(CON=C3CCOc4ccccc43)o2)cc1 ZINC000255182307 655632314 /nfs/dbraw/zinc/63/23/14/655632314.db2.gz UMGAWTAXNHHPNT-UHFFFAOYSA-N 0 0 321.336 3.440 10 30 DGEERN Cc1nn(C)c(C)c1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000064926051 655634939 /nfs/dbraw/zinc/63/49/39/655634939.db2.gz DFUKANKOGSYGGL-SNAWJCMRSA-N 0 0 320.805 3.296 10 30 DGEERN N#Cc1cccc(CN2CCS[C@@H](C(F)(F)F)C2)c1F ZINC000721442693 655648917 /nfs/dbraw/zinc/64/89/17/655648917.db2.gz ULBKNFVMFXVLIQ-LLVKDONJSA-N 0 0 304.312 3.177 10 30 DGEERN Cc1ncccc1/C=C1\COC/C(=C\c2cccnc2C)C1=O ZINC000177927256 655677714 /nfs/dbraw/zinc/67/77/14/655677714.db2.gz HFPGCGZVHVNFLL-BEQMOXJMSA-N 0 0 306.365 3.160 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000187949427 655690147 /nfs/dbraw/zinc/69/01/47/655690147.db2.gz UTTRVSSMVUWKLE-AWEZNQCLSA-N 0 0 311.341 3.463 10 30 DGEERN CCOc1cccc(/C=N\CCc2ncc(CC)s2)c1O ZINC000255358344 655707918 /nfs/dbraw/zinc/70/79/18/655707918.db2.gz WLAHGWRQRMZXGC-YVLHZVERSA-N 0 0 304.415 3.471 10 30 DGEERN CC[C@H](Nc1ncc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000723857621 655726164 /nfs/dbraw/zinc/72/61/64/655726164.db2.gz JLLRCBVSEUZVGT-MFKMUULPSA-N 0 0 324.222 3.333 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCCc1ccccc1C(F)(F)F ZINC000176133033 655736677 /nfs/dbraw/zinc/73/66/77/655736677.db2.gz JHGPKZQLATVXGZ-UHFFFAOYSA-N 0 0 322.286 3.315 10 30 DGEERN N#C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C1CCCCC1 ZINC000161110201 655748367 /nfs/dbraw/zinc/74/83/67/655748367.db2.gz IJELVSKSMIDNPU-PCUGXKRQSA-N 0 0 304.415 3.049 10 30 DGEERN N#C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C1CCCCC1 ZINC000255541585 655793414 /nfs/dbraw/zinc/79/34/14/655793414.db2.gz IJELVSKSMIDNPU-YUQCYMQKSA-N 0 0 304.415 3.049 10 30 DGEERN C#CC[C@H](OC(=O)COc1cccc(C(C)=O)c1)C(C)(C)C ZINC000159743717 655850967 /nfs/dbraw/zinc/85/09/67/655850967.db2.gz ZOGPLMLFYCWMIA-INIZCTEOSA-N 0 0 302.370 3.249 10 30 DGEERN N#C[C@H](OC(=O)CCc1cc(Br)cs1)C1CC1 ZINC000177042140 655889507 /nfs/dbraw/zinc/88/95/07/655889507.db2.gz BATFBXHODCRZSJ-NSHDSACASA-N 0 0 314.204 3.289 10 30 DGEERN C#CCCCNC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000177108163 655908785 /nfs/dbraw/zinc/90/87/85/655908785.db2.gz PVPHTDZUPLZSAH-HNNXBMFYSA-N 0 0 302.418 3.495 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cnn3ccccc13)C2=O ZINC000255867656 655920650 /nfs/dbraw/zinc/92/06/50/655920650.db2.gz JRGSQWVJBHFVEE-UKTHLTGXSA-N 0 0 306.321 3.002 10 30 DGEERN C=CCc1ccccc1OC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000066230370 655937692 /nfs/dbraw/zinc/93/76/92/655937692.db2.gz UQHYLUOURSBBRS-AWEZNQCLSA-N 0 0 315.413 3.406 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)NC(=O)CC1CCCCC1)C(C)C ZINC000177718433 655943334 /nfs/dbraw/zinc/94/33/34/655943334.db2.gz HKWMZFXUNZAAIL-GDBMZVCRSA-N 0 0 307.434 3.053 10 30 DGEERN C#CC[C@H](OC(=O)C[C@@H](C)NC(=O)C1CCCCC1)C(C)C ZINC000177741382 655944354 /nfs/dbraw/zinc/94/43/54/655944354.db2.gz APJBMZBJXXKGTM-ZBFHGGJFSA-N 0 0 307.434 3.053 10 30 DGEERN N#Cc1ccc(OCCNC(=O)/C=C\Sc2ccccc2)cc1 ZINC000255907789 655964324 /nfs/dbraw/zinc/96/43/24/655964324.db2.gz QEPYHWCUEPYZTO-RAXLEYEMSA-N 0 0 324.405 3.359 10 30 DGEERN C[C@@H]1CCc2sc(C(=O)OCC3(C#N)CCOCC3)cc2C1 ZINC000183910906 656115715 /nfs/dbraw/zinc/11/57/15/656115715.db2.gz XZDINIDRTXTRBR-GFCCVEGCSA-N 0 0 319.426 3.350 10 30 DGEERN Cn1cc(-c2ncc(C(=O)OCC(C)(C)CCC#N)s2)cn1 ZINC000195040130 656208210 /nfs/dbraw/zinc/20/82/10/656208210.db2.gz JAAXFMOUJGIHQP-UHFFFAOYSA-N 0 0 318.402 3.030 10 30 DGEERN CC(C)(CCC#N)COC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000195056841 656208303 /nfs/dbraw/zinc/20/83/03/656208303.db2.gz UYZGEILRJKZUQE-LBPRGKRZSA-N 0 0 320.355 3.134 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCC(C)(C)CCC#N ZINC000195058232 656208441 /nfs/dbraw/zinc/20/84/41/656208441.db2.gz XHGJPUHYHBJBKM-CYBMUJFWSA-N 0 0 300.358 3.199 10 30 DGEERN C[C@@H](NCc1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000181752041 656269455 /nfs/dbraw/zinc/26/94/55/656269455.db2.gz XOLPUIGMCQQUPP-GFCCVEGCSA-N 0 0 312.344 3.319 10 30 DGEERN C=C[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000187599767 656618735 /nfs/dbraw/zinc/61/87/35/656618735.db2.gz SJGSSUASIVCGRZ-CQSZACIVSA-N 0 0 309.365 3.201 10 30 DGEERN C=CCCC(=O)OC[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000077887323 656690079 /nfs/dbraw/zinc/69/00/79/656690079.db2.gz VPMUNNLFGIQMRM-GUYCJALGSA-N 0 0 321.804 3.369 10 30 DGEERN C=CCC[C@H](OC(=O)[C@H]1CCCN(C(=O)CCC)C1)C1CC1 ZINC000159515233 656992924 /nfs/dbraw/zinc/99/29/24/656992924.db2.gz NXGXXDAXXVSYRK-HOTGVXAUSA-N 0 0 307.434 3.313 10 30 DGEERN C=C[C@H](CC)OC(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC000181207948 657368643 /nfs/dbraw/zinc/36/86/43/657368643.db2.gz HGHADXYQQDSNNI-CYBMUJFWSA-N 0 0 314.385 3.174 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(-n2ccnc2)cc1 ZINC000191149053 657371096 /nfs/dbraw/zinc/37/10/96/657371096.db2.gz GYDHBPSLPYJCER-GOSISDBHSA-N 0 0 314.385 3.258 10 30 DGEERN CCOC1CC2(C[C@@H]2Nc2ncc(Br)cc2C#N)C1 ZINC000721233938 657426403 /nfs/dbraw/zinc/42/64/03/657426403.db2.gz JFLLTZKIOGXOLA-LXVYMNJGSA-N 0 0 322.206 3.085 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000098112508 657896716 /nfs/dbraw/zinc/89/67/16/657896716.db2.gz FNUNHMYLVOUPPF-DLBZAZTESA-N 0 0 320.392 3.345 10 30 DGEERN COc1cc(/C=C2/COc3c(OC)cccc3C2=O)ccc1O ZINC000098125374 657912622 /nfs/dbraw/zinc/91/26/22/657912622.db2.gz KJDCXXXOUWGOJC-WQLSENKSSA-N 0 0 312.321 3.068 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccc(NC(C)=O)cc1)C2=O ZINC000098125366 657912781 /nfs/dbraw/zinc/91/27/81/657912781.db2.gz UPIYTFRSYGBKRV-UVTDQMKNSA-N 0 0 323.348 3.312 10 30 DGEERN C=C[C@@H](CC(=O)OCc1nnc(C)n1C1CC1)c1ccccc1 ZINC000179675914 658073049 /nfs/dbraw/zinc/07/30/49/658073049.db2.gz ZTJNXQUITOGURA-AWEZNQCLSA-N 0 0 311.385 3.325 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1cccc(-n2cccn2)c1 ZINC000188931046 658137075 /nfs/dbraw/zinc/13/70/75/658137075.db2.gz FJALNGRYWNOIRM-KRWDZBQOSA-N 0 0 300.358 3.007 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1ccc(F)cc1F)c1ccccn1 ZINC000088809760 658640583 /nfs/dbraw/zinc/64/05/83/658640583.db2.gz KHRHDHWNUWIGQY-MRXNPFEDSA-N 0 0 301.292 3.210 10 30 DGEERN C#CCN(C(=O)[C@H]1SCCc2sccc21)C1CCCC1 ZINC000164089465 658915293 /nfs/dbraw/zinc/91/52/93/658915293.db2.gz QGQFWRSDLYPZMV-HNNXBMFYSA-N 0 0 305.468 3.483 10 30 DGEERN COc1ccc(O)c(/C=N/[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000157148813 658989707 /nfs/dbraw/zinc/98/97/07/658989707.db2.gz BLEDKKAUEYKXEL-HCZVKUGISA-N 0 0 322.368 3.162 10 30 DGEERN CCOc1ccc(O)c(/C=N/[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000158158441 659146952 /nfs/dbraw/zinc/14/69/52/659146952.db2.gz HMWONXIGNZVRMT-ZGXHQARYSA-N 0 0 315.417 3.191 10 30 DGEERN Cc1ccccc1C(=O)/C=C/c1cnc(N2CCOCC2)s1 ZINC000171044998 659256057 /nfs/dbraw/zinc/25/60/57/659256057.db2.gz VSIMNYWJGPWPIA-VOTSOKGWSA-N 0 0 314.410 3.184 10 30 DGEERN CSCCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000171482167 659281886 /nfs/dbraw/zinc/28/18/86/659281886.db2.gz IPGLTGXDLAQWTA-VIFPVBQESA-N 0 0 309.341 3.361 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)C1CC1 ZINC000171494213 659283895 /nfs/dbraw/zinc/28/38/95/659283895.db2.gz ZXBPWZNVFKZVMS-LBPRGKRZSA-N 0 0 303.358 3.068 10 30 DGEERN N#C[C@@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777061 659297928 /nfs/dbraw/zinc/29/79/28/659297928.db2.gz GCOMUGTYJZICFX-YJBOKZPZSA-N 0 0 324.424 3.264 10 30 DGEERN N#Cc1ccc2ncc(/C=C/C(=O)c3ccc4c(c3)CCO4)n2c1 ZINC000172522637 659341671 /nfs/dbraw/zinc/34/16/71/659341671.db2.gz QJAXKVLMMWJFHR-ONEGZZNKSA-N 0 0 315.332 3.037 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cnc3c(C)cccn13)C2=O ZINC000172691930 659349289 /nfs/dbraw/zinc/34/92/89/659349289.db2.gz CBINITMXUQNOTH-LCYFTJDESA-N 0 0 320.348 3.310 10 30 DGEERN Cn1ncc2c1CCC(=Cc1c[nH]c(-c3ccccc3)n1)C2=O ZINC000172817450 659356805 /nfs/dbraw/zinc/35/68/05/659356805.db2.gz DAYALPOUUDZJFS-LCYFTJDESA-N 0 0 304.353 3.023 10 30 DGEERN Cn1c(C(=O)Nc2ccn(CCC#N)n2)ccc1-c1ccccc1 ZINC000173063956 659370939 /nfs/dbraw/zinc/37/09/39/659370939.db2.gz UTXQFWDRJOUIAT-UHFFFAOYSA-N 0 0 319.368 3.055 10 30 DGEERN C[C@H](C#N)NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000173281253 659378320 /nfs/dbraw/zinc/37/83/20/659378320.db2.gz JBXBRDDLGWUOID-SECBINFHSA-N 0 0 304.271 3.413 10 30 DGEERN C=CCOc1ccc(OC(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000173525666 659391255 /nfs/dbraw/zinc/39/12/55/659391255.db2.gz RFYLLGVVCJOSKB-UHFFFAOYSA-N 0 0 306.749 3.166 10 30 DGEERN C#C[C@@H](C)OC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000174443868 659433844 /nfs/dbraw/zinc/43/38/44/659433844.db2.gz XEJZEBAJEZQFNH-NXEZZACHSA-N 0 0 313.216 3.495 10 30 DGEERN C[C@@H]1CC(OC(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)C1 ZINC000174577752 659442365 /nfs/dbraw/zinc/44/23/65/659442365.db2.gz JAZQXZGGSXEAAY-KBPBESRZSA-N 0 0 301.386 3.499 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc2[nH]ccc21 ZINC000174720461 659530410 /nfs/dbraw/zinc/53/04/10/659530410.db2.gz WTKMJGSPKUJAPG-LBPRGKRZSA-N 0 0 306.321 3.412 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000089320381 659617355 /nfs/dbraw/zinc/61/73/55/659617355.db2.gz SWXQBPACGFFAKY-ZDUSSCGKSA-N 0 0 303.406 3.244 10 30 DGEERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174752369 659627165 /nfs/dbraw/zinc/62/71/65/659627165.db2.gz XIWQNPREUSAUEJ-SWLSCSKDSA-N 0 0 312.369 3.132 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174752359 659627376 /nfs/dbraw/zinc/62/73/76/659627376.db2.gz XIWQNPREUSAUEJ-IUODEOHRSA-N 0 0 312.369 3.132 10 30 DGEERN C=C(C)CCOC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000174806034 659710264 /nfs/dbraw/zinc/71/02/64/659710264.db2.gz LZAOHVGUZWDUKW-UHFFFAOYSA-N 0 0 317.414 3.177 10 30 DGEERN C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2cccc(OC)c2)c1 ZINC000175586302 659925766 /nfs/dbraw/zinc/92/57/66/659925766.db2.gz PNDQHVFJZIRHFI-OAHLLOKOSA-N 0 0 322.408 3.308 10 30 DGEERN C=C[C@H](CC)OC(=O)c1ccc(OCc2noc(CC)n2)cc1 ZINC000181230625 659987749 /nfs/dbraw/zinc/98/77/49/659987749.db2.gz VXBUAIYTVDXTMX-CYBMUJFWSA-N 0 0 316.357 3.332 10 30 DGEERN C=C[C@@H](CC)OC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000181228544 659987778 /nfs/dbraw/zinc/98/77/78/659987778.db2.gz USNQFYIDSJRLDY-AWEZNQCLSA-N 0 0 317.414 3.176 10 30 DGEERN CC(C)Cn1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)cn1 ZINC000181714722 660016568 /nfs/dbraw/zinc/01/65/68/660016568.db2.gz SBYPFOYFLCNZTI-INIZCTEOSA-N 0 0 311.385 3.078 10 30 DGEERN C#Cc1cccc(NC(=O)c2cnn(CCC(F)(F)F)c2)c1 ZINC000181762596 660018898 /nfs/dbraw/zinc/01/88/98/660018898.db2.gz BCYBIYDEFYFNEK-UHFFFAOYSA-N 0 0 307.275 3.069 10 30 DGEERN CC(C)Cn1cc(C(=O)OC[C@H](C#N)Cc2cccs2)cn1 ZINC000181775030 660019198 /nfs/dbraw/zinc/01/91/98/660019198.db2.gz VKSSEYMWNBKVFZ-ZDUSSCGKSA-N 0 0 317.414 3.140 10 30 DGEERN CC(C)(C#N)OC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000181816545 660021188 /nfs/dbraw/zinc/02/11/88/660021188.db2.gz FFLCDYNOYOCLKB-UHFFFAOYSA-N 0 0 301.264 3.363 10 30 DGEERN COCc1ccsc1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000181895266 660026221 /nfs/dbraw/zinc/02/62/21/660026221.db2.gz FXEIXWVIEKTNEN-LLVKDONJSA-N 0 0 321.423 3.495 10 30 DGEERN COCc1ccsc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000181895244 660026263 /nfs/dbraw/zinc/02/62/63/660026263.db2.gz FXEIXWVIEKTNEN-NSHDSACASA-N 0 0 321.423 3.495 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)c1sccc1COC ZINC000182175968 660037523 /nfs/dbraw/zinc/03/75/23/660037523.db2.gz UIZIJYOQNVHOPC-UHFFFAOYSA-N 0 0 319.357 3.298 10 30 DGEERN Cc1cccc(NC(=O)CNc2ccccc2O[C@@H](C)C#N)c1 ZINC000182596079 660064985 /nfs/dbraw/zinc/06/49/85/660064985.db2.gz PBDOITNUYIMKEB-AWEZNQCLSA-N 0 0 309.369 3.337 10 30 DGEERN COCCOc1cccc(C(=O)OCC2(C#N)CCCCC2)c1 ZINC000183678799 660130275 /nfs/dbraw/zinc/13/02/75/660130275.db2.gz GLBSBPBWRBTYGT-UHFFFAOYSA-N 0 0 317.385 3.343 10 30 DGEERN Cc1cc(C(=O)OCC2(C#N)CCCC2)nn1-c1ccccc1 ZINC000183841828 660142687 /nfs/dbraw/zinc/14/26/87/660142687.db2.gz MWXIAJNTLDJRPW-UHFFFAOYSA-N 0 0 309.369 3.422 10 30 DGEERN N#CC1(COC(=O)CCSc2ccc(F)cc2)CCOCC1 ZINC000183936449 660148637 /nfs/dbraw/zinc/14/86/37/660148637.db2.gz MFWGFCNYGOCYFE-UHFFFAOYSA-N 0 0 323.389 3.171 10 30 DGEERN CC#CCCCCOC(=O)c1cc(OC)c(OC)cc1OC ZINC000183938109 660148640 /nfs/dbraw/zinc/14/86/40/660148640.db2.gz HGUYUQVSPMGOFT-UHFFFAOYSA-N 0 0 306.358 3.063 10 30 DGEERN CC#CCCCCOC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000183952707 660148777 /nfs/dbraw/zinc/14/87/77/660148777.db2.gz IVQPRARZJSJTHC-UHFFFAOYSA-N 0 0 304.434 3.435 10 30 DGEERN Cc1cccc(CSCC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183973444 660151050 /nfs/dbraw/zinc/15/10/50/660151050.db2.gz LAZCLHVTJKGRNI-UHFFFAOYSA-N 0 0 319.426 3.092 10 30 DGEERN CC(C)c1cccc(OCC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183985895 660151816 /nfs/dbraw/zinc/15/18/16/660151816.db2.gz FXPQBGDEBCYIOB-UHFFFAOYSA-N 0 0 317.385 3.052 10 30 DGEERN C#C[C@H](C)OC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187436941 661606774 /nfs/dbraw/zinc/60/67/74/661606774.db2.gz SFXTWCSLYQHSEC-VIFPVBQESA-N 0 0 300.251 3.441 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccn(C2CCCC2)n1 ZINC000187532636 661802591 /nfs/dbraw/zinc/80/25/91/661802591.db2.gz JNMGEXBWACZLRA-KRWDZBQOSA-N 0 0 306.406 3.384 10 30 DGEERN N#C[C@H](COC(=O)CSCC(F)(F)F)Cc1ccccc1 ZINC000157020928 661865654 /nfs/dbraw/zinc/86/56/54/661865654.db2.gz RUNMQFVICAKULP-GFCCVEGCSA-N 0 0 317.332 3.208 10 30 DGEERN COc1ccc2nc(C(=O)Oc3ccc(C#N)cc3F)ccc2c1 ZINC000158042723 661869776 /nfs/dbraw/zinc/86/97/76/661869776.db2.gz GVAULBPGGNVTKV-UHFFFAOYSA-N 0 0 322.295 3.473 10 30 DGEERN C=CCC[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C1CC1 ZINC000159499824 661889327 /nfs/dbraw/zinc/88/93/27/661889327.db2.gz UEPDXUPALVYQRK-HOTGVXAUSA-N 0 0 300.354 3.056 10 30 DGEERN C=CCC[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159578319 661890710 /nfs/dbraw/zinc/89/07/10/661890710.db2.gz DRTIQEMFLBMWEY-CQSZACIVSA-N 0 0 305.330 3.262 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cn3ccnc3s2)cc1 ZINC000188593499 661935936 /nfs/dbraw/zinc/93/59/36/661935936.db2.gz HSDBYKUJJGKLGM-UHFFFAOYSA-N 0 0 300.339 3.180 10 30 DGEERN CC(C)(C)OC(=O)N(CC(=O)O[C@H](C#N)C(C)(C)C)CC1CC1 ZINC000189128092 661964869 /nfs/dbraw/zinc/96/48/69/661964869.db2.gz TUHAYHUOQGPTKC-CYBMUJFWSA-N 0 0 324.421 3.115 10 30 DGEERN C=CC[C@@H](OC(=O)CCn1c(C)csc1=O)c1ccccc1 ZINC000189225739 661969539 /nfs/dbraw/zinc/96/95/39/661969539.db2.gz INLREWZTEFGKHE-OAHLLOKOSA-N 0 0 317.410 3.469 10 30 DGEERN C=CC[C@@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccccc1 ZINC000189241988 661970143 /nfs/dbraw/zinc/97/01/43/661970143.db2.gz GUUFYAXYJSMYMB-DLBZAZTESA-N 0 0 304.386 3.433 10 30 DGEERN C=CCCCN(C)Cn1c(=S)nc2nc(C)c(C)c(C)n21 ZINC000076664691 661992052 /nfs/dbraw/zinc/99/20/52/661992052.db2.gz CFPBYOKBTZBUDT-UHFFFAOYSA-N 0 0 305.451 3.041 10 30 DGEERN C=CCOCCCC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000076883134 662004440 /nfs/dbraw/zinc/00/44/40/662004440.db2.gz BXCKWWWXJUVJHP-ZDUSSCGKSA-N 0 0 306.358 3.045 10 30 DGEERN CCC[C@H](C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000076914026 662005713 /nfs/dbraw/zinc/00/57/13/662005713.db2.gz XKEBEOSPMZTFQL-ZDUSSCGKSA-N 0 0 312.369 3.465 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cnn(C(C)(C)C)c1C ZINC000191111152 662054810 /nfs/dbraw/zinc/05/48/10/662054810.db2.gz PHPXOUJVPGYBPH-QGZVFWFLSA-N 0 0 308.422 3.332 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)CCc1ccc(C#N)cc1 ZINC000191142700 662055367 /nfs/dbraw/zinc/05/53/67/662055367.db2.gz IXYFXHWGMDMJDU-GOSISDBHSA-N 0 0 301.386 3.263 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)COc1ccc(C)c(C)c1 ZINC000191151534 662055448 /nfs/dbraw/zinc/05/54/48/662055448.db2.gz HRNQYTNGDWMEMC-SFHVURJKSA-N 0 0 306.402 3.454 10 30 DGEERN Cn1c(=O)sc2cc(/C=C3/Cc4ccccc4C3=O)ccc21 ZINC000191491157 662069001 /nfs/dbraw/zinc/06/90/01/662069001.db2.gz MVLGRLPIUPGLOQ-JYRVWZFOSA-N 0 0 307.374 3.422 10 30 DGEERN Cc1cc(S(=O)(=O)Oc2cccc(CC#N)c2)c(C)s1 ZINC000192147645 662089170 /nfs/dbraw/zinc/08/91/70/662089170.db2.gz DWBNHGZBDUBJOJ-UHFFFAOYSA-N 0 0 307.396 3.199 10 30 DGEERN C=CCC[C@@H](OC(=O)Cc1c(CC)nn(C)c1CC)C1CC1 ZINC000192264731 662093412 /nfs/dbraw/zinc/09/34/12/662093412.db2.gz NOQLLRWWMZPSCQ-QGZVFWFLSA-N 0 0 304.434 3.375 10 30 DGEERN C=CCC[C@H](OC(=O)Cc1c(CC)nn(C)c1CC)C1CC1 ZINC000192264725 662093495 /nfs/dbraw/zinc/09/34/95/662093495.db2.gz NOQLLRWWMZPSCQ-KRWDZBQOSA-N 0 0 304.434 3.375 10 30 DGEERN C#CC[C@H](OC(=O)Cc1c(C)nn(CC(C)C)c1C)C1CC1 ZINC000079207217 662103612 /nfs/dbraw/zinc/10/36/12/662103612.db2.gz VVICBXLPOQMHMK-KRWDZBQOSA-N 0 0 302.418 3.044 10 30 DGEERN C#CC[C@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079207387 662103630 /nfs/dbraw/zinc/10/36/30/662103630.db2.gz XTEGPSKURCPXTI-INIZCTEOSA-N 0 0 316.357 3.132 10 30 DGEERN COc1ccc(CC(=O)OC[C@@H](C#N)Cc2ccccc2)cc1 ZINC000079212348 662103868 /nfs/dbraw/zinc/10/38/68/662103868.db2.gz RUJNMOYTXVECMA-QGZVFWFLSA-N 0 0 309.365 3.163 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C1CC1 ZINC000079208236 662103918 /nfs/dbraw/zinc/10/39/18/662103918.db2.gz JPTISHDBZLEDSC-MSOLQXFVSA-N 0 0 314.381 3.203 10 30 DGEERN C[C@@H](Oc1ccccc1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079223157 662104652 /nfs/dbraw/zinc/10/46/52/662104652.db2.gz QHEVRIOENONGEM-WBVHZDCISA-N 0 0 309.365 3.380 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000193033356 662121254 /nfs/dbraw/zinc/12/12/54/662121254.db2.gz LTUQDRUYXYSWCF-LBPRGKRZSA-N 0 0 317.364 3.285 10 30 DGEERN N#C[C@@H](OC(=O)CCc1ccccc1Br)C1CC1 ZINC000080412390 662140770 /nfs/dbraw/zinc/14/07/70/662140770.db2.gz URULJZQNRYUVCP-CYBMUJFWSA-N 0 0 308.175 3.227 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Cl)n1 ZINC000080796186 662153137 /nfs/dbraw/zinc/15/31/37/662153137.db2.gz NJDSRTUFUNHDJY-SNVBAGLBSA-N 0 0 301.733 3.013 10 30 DGEERN CC1CCN(c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)CC1 ZINC000080944440 662156684 /nfs/dbraw/zinc/15/66/84/662156684.db2.gz RDKSCEMCOPKHRX-UHFFFAOYSA-N 0 0 322.412 3.385 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1ccccc1OCC(F)(F)F ZINC000081085098 662159961 /nfs/dbraw/zinc/15/99/61/662159961.db2.gz FSWLNZBEPYWPAR-UHFFFAOYSA-N 0 0 324.258 3.057 10 30 DGEERN C=CCc1ccc(OC(=O)c2cc(C(C)C)n(C)n2)c(OC)c1 ZINC000081820619 662173556 /nfs/dbraw/zinc/17/35/56/662173556.db2.gz PJSKEXFIVXUREP-UHFFFAOYSA-N 0 0 314.385 3.500 10 30 DGEERN CCC1CC(=O)C(=CNc2ccnn2[C@@H](C)C2CC2)C(=O)C1 ZINC000194963382 662176068 /nfs/dbraw/zinc/17/60/68/662176068.db2.gz QQDVTAPJJLVQSE-PXYINDEMSA-N 0 0 301.390 3.108 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(C)(C)CCC#N ZINC000195056725 662177442 /nfs/dbraw/zinc/17/74/42/662177442.db2.gz XQIPBNJMFFFMPZ-LBPRGKRZSA-N 0 0 305.422 3.089 10 30 DGEERN CCO[C@@H]1C[C@H](OC(=O)c2cc(C#N)cn2C)C12CCCCC2 ZINC000083770010 662196389 /nfs/dbraw/zinc/19/63/89/662196389.db2.gz IVBLXJFACRYJPT-CVEARBPZSA-N 0 0 316.401 3.181 10 30 DGEERN Cc1ccc([C@H](C)OC(=O)c2cc(C#N)cn2C)cc1[N+](=O)[O-] ZINC000084809482 662203913 /nfs/dbraw/zinc/20/39/13/662203913.db2.gz SMEYSPCRMGHPEB-NSHDSACASA-N 0 0 313.313 3.031 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000089311758 662241421 /nfs/dbraw/zinc/24/14/21/662241421.db2.gz LNJPIBPBZCFVSD-JTQLQIEISA-N 0 0 318.341 3.194 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000089319894 662241922 /nfs/dbraw/zinc/24/19/22/662241922.db2.gz QWSCGYIWUBBULT-DOTOQJQBSA-N 0 0 315.413 3.384 10 30 DGEERN C=CCC[C@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000089320448 662242131 /nfs/dbraw/zinc/24/21/31/662242131.db2.gz JDSPZMLZGQHMDF-SUMWQHHRSA-N 0 0 319.401 3.160 10 30 DGEERN CCCC(C#N)(CCC)NS(=O)(=O)/C=C/c1ccccc1 ZINC000089495620 662244906 /nfs/dbraw/zinc/24/49/06/662244906.db2.gz VBBFSSONRCUCJV-JLHYYAGUSA-N 0 0 306.431 3.439 10 30 DGEERN C#C[C@@H](C)OC(=O)c1cccc(C(=O)N(CCC)CCC)c1 ZINC000174432151 685105893 /nfs/dbraw/zinc/10/58/93/685105893.db2.gz NWEFLZDAUHQJLA-CQSZACIVSA-N 0 0 301.386 3.127 10 30 DGEERN C#C[C@H](C)OC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000174435962 685106078 /nfs/dbraw/zinc/10/60/78/685106078.db2.gz QENTXBYBSQOTBX-LBPRGKRZSA-N 0 0 322.451 3.499 10 30 DGEERN COc1ccccc1[C@@H](O)CN=Cc1cc2ccccc2[nH]c1=O ZINC000255618414 685121617 /nfs/dbraw/zinc/12/16/17/685121617.db2.gz RPIDLLYXXLDNOQ-BCUAHEQISA-N 0 0 322.364 3.102 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](c3nnc[nH]3)C2)CCCCC1 ZINC000450048033 1176215994 /nfs/dbraw/zinc/21/59/94/1176215994.db2.gz NHABKPGKIPRXGR-AWEZNQCLSA-N 0 0 302.422 3.037 10 30 DGEERN C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000586126817 1177033764 /nfs/dbraw/zinc/03/37/64/1177033764.db2.gz ZFVVSTJODZHKJI-UHFFFAOYSA-N 0 0 313.422 3.128 10 30 DGEERN C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C1CC1 ZINC000516189090 1177099868 /nfs/dbraw/zinc/09/98/68/1177099868.db2.gz HIOVAJLNWQOFCC-UHFFFAOYSA-N 0 0 312.417 3.029 10 30 DGEERN C#CCN(CC#C)C(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000075398949 1196380685 /nfs/dbraw/zinc/38/06/85/1196380685.db2.gz OKRCWFHQZZXFKH-UHFFFAOYSA-N 0 0 303.361 3.071 10 30 DGEERN COc1cccc(OC)c1COC(=O)/C=C/c1ccccc1C#N ZINC000085770512 1197555009 /nfs/dbraw/zinc/55/50/09/1197555009.db2.gz PVRMPNAILWQGLZ-ZHACJKMWSA-N 0 0 323.348 3.332 10 30 DGEERN CC[C@@H]1CN(c2cc(Br)ccc2C#N)[C@@H](C)CO1 ZINC000403907883 1199528507 /nfs/dbraw/zinc/52/85/07/1199528507.db2.gz XQQACVKZQFLZEY-GXFFZTMASA-N 0 0 309.207 3.324 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2c(C)noc2C)cc1 ZINC000114766886 1199716426 /nfs/dbraw/zinc/71/64/26/1199716426.db2.gz LENPNOSKCGDCLZ-UHFFFAOYSA-N 0 0 300.362 3.211 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2nc(C)cs2)cc1 ZINC000117386397 1199826343 /nfs/dbraw/zinc/82/63/43/1199826343.db2.gz SCUOKYVGOZVKQA-UHFFFAOYSA-N 0 0 302.403 3.371 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1 ZINC000317854598 1199827670 /nfs/dbraw/zinc/82/76/70/1199827670.db2.gz UAXFCNXCUHQETF-UHFFFAOYSA-N 0 0 300.333 3.059 10 30 DGEERN C=CCc1cc(CNc2cnccc2OC)cc(OC)c1O ZINC000119136072 1200026711 /nfs/dbraw/zinc/02/67/11/1200026711.db2.gz DFHCZEGVHXNPBV-UHFFFAOYSA-N 0 0 300.358 3.145 10 30 DGEERN C=CCNCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000119565801 1200085931 /nfs/dbraw/zinc/08/59/31/1200085931.db2.gz SAQBNXHTYPWXNM-UHFFFAOYSA-N 0 0 305.378 3.242 10 30 DGEERN C=CCOc1cccc(CNc2cccc(-n3nnnc3C)c2)c1 ZINC000120589248 1200158676 /nfs/dbraw/zinc/15/86/76/1200158676.db2.gz FIKOHLIUNGKFAD-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN COc1ccc(CNc2cc(Br)ccc2C#N)cn1 ZINC000123258759 1200274981 /nfs/dbraw/zinc/27/49/81/1200274981.db2.gz HUDAWGRYRZRMIW-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN CN(CCOCC1CC1)c1cc(Br)ccc1C#N ZINC000123351418 1200276950 /nfs/dbraw/zinc/27/69/50/1200276950.db2.gz FYRNGZOHKDKPEX-UHFFFAOYSA-N 0 0 309.207 3.184 10 30 DGEERN N#CCSc1cccc(C(=O)Nc2ccc(O)cc2F)c1 ZINC000124436917 1200352763 /nfs/dbraw/zinc/35/27/63/1200352763.db2.gz WTWPCMXBIQGWMB-UHFFFAOYSA-N 0 0 302.330 3.399 10 30 DGEERN C[C@@H](Nc1ccc(C#N)c(Br)c1F)c1ncc[nH]1 ZINC000231863991 1202600489 /nfs/dbraw/zinc/60/04/89/1202600489.db2.gz XBYUPFZNUJOTOG-SSDOTTSWSA-N 0 0 309.142 3.356 10 30 DGEERN N#Cc1ccc(NC[C@H]2CCCOC2)c(F)c1Br ZINC000231845560 1202600313 /nfs/dbraw/zinc/60/03/13/1202600313.db2.gz ILDJTKAFSILVDJ-SECBINFHSA-N 0 0 313.170 3.298 10 30 DGEERN CCCCCCCC(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 ZINC000163596409 1203581086 /nfs/dbraw/zinc/58/10/86/1203581086.db2.gz FVPIQDANVPOKAI-UHFFFAOYSA-N 0 0 323.437 3.480 10 30 DGEERN CCc1oc2ccccc2c1C(=O)OCC1(C#N)CCOCC1 ZINC000183996055 1204348823 /nfs/dbraw/zinc/34/88/23/1204348823.db2.gz WYEXMTYLBFTZQW-UHFFFAOYSA-N 0 0 313.353 3.472 10 30 DGEERN C/C(=C/c1ccc(C)cc1)C(=O)NC1(C#N)CCSCC1 ZINC000588401388 1082143160 /nfs/dbraw/zinc/14/31/60/1082143160.db2.gz SNHWOWQBCKBJBR-KAMYIIQDSA-N 0 0 300.427 3.304 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000588447908 1082317488 /nfs/dbraw/zinc/31/74/88/1082317488.db2.gz IICYECIZRMDCBI-MMRAYRKESA-N 0 0 302.330 3.480 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000588470115 1082402851 /nfs/dbraw/zinc/40/28/51/1082402851.db2.gz XXPRGVNVNZPHHH-MARXPDLDSA-N 0 0 302.330 3.480 10 30 DGEERN N#CCCNC(=O)CNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404373292 1082662225 /nfs/dbraw/zinc/66/22/25/1082662225.db2.gz VBIWOQNCJRGIGC-UHFFFAOYSA-N 0 0 306.580 3.089 10 30 DGEERN Cc1nc(N2CCC=C(Br)C2)c(Cl)cc1C#N ZINC000404384738 1082667166 /nfs/dbraw/zinc/66/71/66/1082667166.db2.gz OKDNXBUMYSEWIK-UHFFFAOYSA-N 0 0 312.598 3.404 10 30 DGEERN Cn1c2ccc(/C=C\C(=O)c3ccc(C#N)cc3)cc2sc1=O ZINC000588590188 1082824577 /nfs/dbraw/zinc/82/45/77/1082824577.db2.gz GKCNNNPEDPGSIP-UITAMQMPSA-N 0 0 320.373 3.368 10 30 DGEERN Cc1n[nH]c(CNc2cc(Br)c(C#N)cc2F)c1C ZINC000716492087 1084507011 /nfs/dbraw/zinc/50/70/11/1084507011.db2.gz BPAJOKHKDJPHMV-UHFFFAOYSA-N 0 0 323.169 3.412 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2cc(F)cc(OC)c2)cc1 ZINC000312283711 1087825768 /nfs/dbraw/zinc/82/57/68/1087825768.db2.gz YMMPCSSWIDOZCE-UHFFFAOYSA-N 0 0 314.360 3.362 10 30 DGEERN CCS[C@H](C(=O)OCC#Cc1cccc(OC)c1)C(C)C ZINC000176592930 1088124555 /nfs/dbraw/zinc/12/45/55/1088124555.db2.gz XNTVYHLJANFSIT-INIZCTEOSA-N 0 0 306.427 3.368 10 30 DGEERN COc1cccc(C#CCOC(=O)CCc2ccsc2)c1 ZINC000176591847 1088127642 /nfs/dbraw/zinc/12/76/42/1088127642.db2.gz RQXWHJLUNWWKAF-UHFFFAOYSA-N 0 0 300.379 3.284 10 30 DGEERN CC[C@@H](OC1CCCC1)C(=O)OCC#Cc1cccc(OC)c1 ZINC000176595001 1088129193 /nfs/dbraw/zinc/12/91/93/1088129193.db2.gz TYOCEZUCLRUEGC-GOSISDBHSA-N 0 0 316.397 3.328 10 30 DGEERN CC[C@H](OC1CCCC1)C(=O)OCC#Cc1cccc(OC)c1 ZINC000176594989 1088129468 /nfs/dbraw/zinc/12/94/68/1088129468.db2.gz TYOCEZUCLRUEGC-SFHVURJKSA-N 0 0 316.397 3.328 10 30 DGEERN COc1cccc(C#CCOC(=O)CCc2ccccc2OC)c1 ZINC000176598811 1088141561 /nfs/dbraw/zinc/14/15/61/1088141561.db2.gz LEQOAFZVSGNAAG-UHFFFAOYSA-N 0 0 324.376 3.231 10 30 DGEERN COc1cccc(C#CCOC(=O)Cc2ccc(C)s2)c1 ZINC000176604803 1088183397 /nfs/dbraw/zinc/18/33/97/1088183397.db2.gz CNCMWULMUNIUMM-UHFFFAOYSA-N 0 0 300.379 3.203 10 30 DGEERN N#Cc1cc(F)cc(NC(=O)c2cccc(Br)n2)c1 ZINC000720229122 1091499918 /nfs/dbraw/zinc/49/99/18/1091499918.db2.gz GHXJGORCRPULEM-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN C[C@@H]1COCC[C@H]1Nc1ccc(C#N)c(Br)c1F ZINC000306026724 1094050460 /nfs/dbraw/zinc/05/04/60/1094050460.db2.gz ULNDPNJIGQEGSI-PSASIEDQSA-N 0 0 313.170 3.297 10 30 DGEERN N#Cc1ccc(NC(=O)c2nscc2Br)cc1 ZINC000404887208 1094271125 /nfs/dbraw/zinc/27/11/25/1094271125.db2.gz GAQQZMOFAVZJGJ-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN CN(Cc1cc(Br)cs1)Cc1cncc(C#N)c1 ZINC000721546291 1097500217 /nfs/dbraw/zinc/50/02/17/1097500217.db2.gz VNYTUMXBAGQMIO-UHFFFAOYSA-N 0 0 322.231 3.409 10 30 DGEERN C=CCOCCCC(=O)NC[C@H](C)c1nc2ccccc2s1 ZINC000155965160 1099674690 /nfs/dbraw/zinc/67/46/90/1099674690.db2.gz MJKDVRZCIYFKGA-ZDUSSCGKSA-N 0 0 318.442 3.499 10 30 DGEERN C=CC1CCN(C(=O)c2cccc(Nc3cnccn3)c2)CC1 ZINC000159750196 1101239678 /nfs/dbraw/zinc/23/96/78/1101239678.db2.gz YEXBTLPRGHBWDX-UHFFFAOYSA-N 0 0 308.385 3.258 10 30 DGEERN C#C[C@](C)(CC)NC(=O)COc1ccc(Cl)cc1Cl ZINC000700584470 1108837619 /nfs/dbraw/zinc/83/76/19/1108837619.db2.gz NDRFXYWQFVWFCW-CQSZACIVSA-N 0 0 300.185 3.290 10 30 DGEERN C#C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000702240975 1109042746 /nfs/dbraw/zinc/04/27/46/1109042746.db2.gz WZULXMIDZSYDGG-GFCCVEGCSA-N 0 0 320.241 3.320 10 30 DGEERN Cc1cccc([C@H]2CCCN2C(=O)c2cc(C#N)cn2C)c1C ZINC000081783912 192323115 /nfs/dbraw/zinc/32/31/15/192323115.db2.gz QQLDJRLRSDDUMA-QGZVFWFLSA-N 0 0 307.397 3.491 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000278348767 214105556 /nfs/dbraw/zinc/10/55/56/214105556.db2.gz KSMQNOVPQODVSX-UHFFFAOYSA-N 0 0 305.381 3.052 10 30 DGEERN C[C@H](O)CCNc1c(Br)cc(Cl)cc1C#N ZINC000309911966 231108614 /nfs/dbraw/zinc/10/86/14/231108614.db2.gz NFHVCZMOGPDMQW-ZETCQYMHSA-N 0 0 303.587 3.157 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000278749966 214374224 /nfs/dbraw/zinc/37/42/24/214374224.db2.gz FGOJWNMCCDSLEP-IFXJQAMLSA-N 0 0 310.397 3.253 10 30 DGEERN CN(Cc1nc2c(s1)CCCC2)C(=O)C#Cc1ccccc1 ZINC000083013959 185211315 /nfs/dbraw/zinc/21/13/15/185211315.db2.gz BVWCTJISLHYVFW-UHFFFAOYSA-N 0 0 310.422 3.032 10 30 DGEERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C#N)ccn1 ZINC000436013520 529541234 /nfs/dbraw/zinc/54/12/34/529541234.db2.gz YPOGNLRSKSOVJB-AWEZNQCLSA-N 0 0 324.340 3.069 10 30 DGEERN CC[C@@H](NC(=O)NCCCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000176133362 529622668 /nfs/dbraw/zinc/62/26/68/529622668.db2.gz ISRAUGFWCJVVOJ-CQSZACIVSA-N 0 0 304.350 3.039 10 30 DGEERN CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc21 ZINC000090563323 185303882 /nfs/dbraw/zinc/30/38/82/185303882.db2.gz KTMFHLJBTSHVKQ-ALOPSCKCSA-N 0 0 319.408 3.347 10 30 DGEERN O=C(CCCCCCCCC(=O)OCCS)OCCS ZINC000005113058 190621115 /nfs/dbraw/zinc/62/11/15/190621115.db2.gz ZQYBCMFYQIVHKA-UHFFFAOYSA-N 0 0 322.492 3.053 10 30 DGEERN CN1CCOc2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc21 ZINC000329290168 529791367 /nfs/dbraw/zinc/79/13/67/529791367.db2.gz QJVOFYVDXFCCBX-GFCCVEGCSA-N 0 0 317.389 3.250 10 30 DGEERN C[C@H](NS(=O)(=O)CCCC#N)c1ccc2ccccc2c1 ZINC000104107266 432014598 /nfs/dbraw/zinc/01/45/98/432014598.db2.gz IGLAXZFKEZNNRS-ZDUSSCGKSA-N 0 0 302.399 3.124 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104248885 432015358 /nfs/dbraw/zinc/01/53/58/432015358.db2.gz JBCRXCIYAREMER-MRXNPFEDSA-N 0 0 315.417 3.108 10 30 DGEERN COc1ccccc1CCN(C)C(=O)C1(C#N)CCCCC1 ZINC000104460493 432016980 /nfs/dbraw/zinc/01/69/80/432016980.db2.gz ZSZKWYWOVCNNDB-UHFFFAOYSA-N 0 0 300.402 3.170 10 30 DGEERN N#CCCN(CCC#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000069741464 190812111 /nfs/dbraw/zinc/81/21/11/190812111.db2.gz PKQYKJLWNXBSHM-UHFFFAOYSA-N 0 0 311.316 3.355 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(CC#N)c1 ZINC000066710344 432019932 /nfs/dbraw/zinc/01/99/32/432019932.db2.gz PYLAHWFRSGKBNQ-KXBFYZLASA-N 0 0 320.392 3.355 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000129927552 185922487 /nfs/dbraw/zinc/92/24/87/185922487.db2.gz BFFFQRDHAZMYER-KBXCAEBGSA-N 0 0 308.381 3.109 10 30 DGEERN C=C(F)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000138378479 186016136 /nfs/dbraw/zinc/01/61/36/186016136.db2.gz KTLLTKOVGAOUHK-UHFFFAOYSA-N 0 0 308.071 3.439 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCO[C@H]1C ZINC000191850333 186263640 /nfs/dbraw/zinc/26/36/40/186263640.db2.gz PBPJLBOUTJOLAF-CMPLNLGQSA-N 0 0 323.776 3.331 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000172344804 198083189 /nfs/dbraw/zinc/08/31/89/198083189.db2.gz ITYNOIGTXIJYAF-UHFFFAOYSA-N 0 0 317.433 3.389 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CCC#N ZINC000072615614 191201483 /nfs/dbraw/zinc/20/14/83/191201483.db2.gz BOKYWRKSCXJMKU-VIFPVBQESA-N 0 0 301.173 3.133 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1cccnc1 ZINC000173876850 198262562 /nfs/dbraw/zinc/26/25/62/198262562.db2.gz ULKOGQSYGFZTMX-OAHLLOKOSA-N 0 0 307.397 3.496 10 30 DGEERN N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000002634945 180942100 /nfs/dbraw/zinc/94/21/00/180942100.db2.gz TYDDUVFUIBKIET-SGTLLEGYSA-N 0 0 303.321 3.240 10 30 DGEERN CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)cc1 ZINC000003286834 181000169 /nfs/dbraw/zinc/00/01/69/181000169.db2.gz RNSWRCPMFKAFSC-UXEFFTOFSA-N 0 0 313.382 3.318 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)/C=C/c1ccccc1C#N ZINC000073151818 191285398 /nfs/dbraw/zinc/28/53/98/191285398.db2.gz VEBIHVWIDPKPAE-XEHSLEBBSA-N 0 0 306.369 3.378 10 30 DGEERN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C#N)cs2)c1 ZINC000176886818 198632905 /nfs/dbraw/zinc/63/29/05/198632905.db2.gz KGLVGMMNGVDZFG-JTQLQIEISA-N 0 0 316.382 3.128 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000181106678 283048863 /nfs/dbraw/zinc/04/88/63/283048863.db2.gz QAVAFHIRHLBZJA-UHFFFAOYSA-N 0 0 321.405 3.389 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)ccn1 ZINC000195116524 283091382 /nfs/dbraw/zinc/09/13/82/283091382.db2.gz MMQQISIPZHWPPW-AWEZNQCLSA-N 0 0 313.357 3.059 10 30 DGEERN N#Cc1cc(Cl)ccc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000171562901 283095504 /nfs/dbraw/zinc/09/55/04/283095504.db2.gz WJGPHIMHWTXYEQ-AWEZNQCLSA-N 0 0 313.792 3.083 10 30 DGEERN COc1cc(C=NNc2ccc(F)cc2F)cc(OC)c1OC ZINC000005161888 181211980 /nfs/dbraw/zinc/21/19/80/181211980.db2.gz ZEHLNJXRHJCSRX-DJKKODMXSA-N 0 0 322.311 3.437 10 30 DGEERN CC(=O)C(=NNc1ccccc1)NNc1ccccc1Cl ZINC000005480819 181248777 /nfs/dbraw/zinc/24/87/77/181248777.db2.gz WYLFOYYQEXSSRT-UHFFFAOYSA-N 0 0 302.765 3.271 10 30 DGEERN CC(C)Oc1ccc(NC(=O)c2cnccc2N(C)C)cc1C#N ZINC000183999762 199661548 /nfs/dbraw/zinc/66/15/48/199661548.db2.gz ISWRSDZRXFFNMK-UHFFFAOYSA-N 0 0 324.384 3.059 10 30 DGEERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(C#N)c3)CCO2)o1 ZINC000165803335 432056983 /nfs/dbraw/zinc/05/69/83/432056983.db2.gz KHENHPBEXXJRTF-MRXNPFEDSA-N 0 0 311.341 3.065 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1c(F)cccc1Cl ZINC000081551259 192289186 /nfs/dbraw/zinc/28/91/86/192289186.db2.gz SFRXRPFBCHTAEL-VIFPVBQESA-N 0 0 305.740 3.180 10 30 DGEERN N#Cc1csc(C(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000437666812 283246874 /nfs/dbraw/zinc/24/68/74/283246874.db2.gz MPIDLPXZRBKKHI-UHFFFAOYSA-N 0 0 303.290 3.347 10 30 DGEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000168700104 432069700 /nfs/dbraw/zinc/06/97/00/432069700.db2.gz ZPTQSZXEIGXSJP-SNVBAGLBSA-N 0 0 312.822 3.069 10 30 DGEERN C=CCOCCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168776683 432069730 /nfs/dbraw/zinc/06/97/30/432069730.db2.gz FEDBLEPBLIOFNE-CQSZACIVSA-N 0 0 315.335 3.259 10 30 DGEERN CCOc1cc(S(=O)(=O)Nc2ccccc2C)ccc1C#N ZINC000005872177 181291960 /nfs/dbraw/zinc/29/19/60/181291960.db2.gz XHQDXCGURHPKDG-UHFFFAOYSA-N 0 0 316.382 3.066 10 30 DGEERN C=CCCCN(C)C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000179645874 199069305 /nfs/dbraw/zinc/06/93/05/199069305.db2.gz RJILHUFCDKFOJU-UHFFFAOYSA-N 0 0 322.771 3.098 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180700044 199199689 /nfs/dbraw/zinc/19/96/89/199199689.db2.gz BTJCSPHPOXTFMO-HNNXBMFYSA-N 0 0 313.336 3.180 10 30 DGEERN NC(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000000244637 283370975 /nfs/dbraw/zinc/37/09/75/283370975.db2.gz IFOPJPPXPGLVHO-RQZCQDPDSA-N 0 0 303.159 3.299 10 30 DGEERN N#Cc1cnc(NCC2(CCOCc3ccccc3)CC2)cn1 ZINC000185736088 199882519 /nfs/dbraw/zinc/88/25/19/199882519.db2.gz UTNCOYZSYDBFHL-UHFFFAOYSA-N 0 0 308.385 3.147 10 30 DGEERN Cc1nnc([C@H](N[C@@H](C)c2ccc(C#N)s2)c2ccccc2)[nH]1 ZINC000134874651 432087775 /nfs/dbraw/zinc/08/77/75/432087775.db2.gz PHOZNRDFZOIDCK-MEDUHNTESA-N 0 0 323.425 3.487 10 30 DGEERN N#Cc1ccc(CN(Cc2nc(-c3ccoc3)no2)C2CC2)cc1 ZINC000170939089 432088344 /nfs/dbraw/zinc/08/83/44/432088344.db2.gz SNJPDHVRWDIEPJ-UHFFFAOYSA-N 0 0 320.352 3.366 10 30 DGEERN COc1ccc(CSC[C@@H]2CC3(CCC3)C(=O)O2)cc1C#N ZINC000190989990 200613393 /nfs/dbraw/zinc/61/33/93/200613393.db2.gz BMVDKHNFENREPV-AWEZNQCLSA-N 0 0 317.410 3.286 10 30 DGEERN N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000435729199 238343202 /nfs/dbraw/zinc/34/32/02/238343202.db2.gz TWRHDJGXNMAQKU-DLBZAZTESA-N 0 0 301.349 3.325 10 30 DGEERN Cc1nc(CC(C)C)sc1C(=O)Nc1cc(C#N)ccn1 ZINC000436013911 238383390 /nfs/dbraw/zinc/38/33/90/238383390.db2.gz CZUQOHIPWQYDKH-UHFFFAOYSA-N 0 0 300.387 3.169 10 30 DGEERN CCn1ncc(C(=O)Nc2cc(C#N)ccn2)c1-c1ccccc1 ZINC000436031393 238385280 /nfs/dbraw/zinc/38/52/80/238385280.db2.gz XXOVRFXOKOFBLW-UHFFFAOYSA-N 0 0 317.352 3.089 10 30 DGEERN CC(C)Oc1ccc([C@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192578909 200904781 /nfs/dbraw/zinc/90/47/81/200904781.db2.gz GSRZOHBSMQUEOY-ZDUSSCGKSA-N 0 0 309.369 3.231 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)ccn1 ZINC000193310032 201027035 /nfs/dbraw/zinc/02/70/35/201027035.db2.gz BOLPSTIILUJBOX-QAPCUYQASA-N 0 0 305.381 3.094 10 30 DGEERN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccnc(C#N)c1 ZINC000193394635 201044422 /nfs/dbraw/zinc/04/44/22/201044422.db2.gz VSCJKNOOHGACCK-KRWDZBQOSA-N 0 0 311.360 3.089 10 30 DGEERN CCc1ccc2c(c1)[C@H](OC(=O)c1ccnc(C#N)c1)CCO2 ZINC000193708441 201108142 /nfs/dbraw/zinc/10/81/42/201108142.db2.gz CDVWLERZRFBNNA-QGZVFWFLSA-N 0 0 308.337 3.196 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2cnns2)cc1 ZINC000180708860 432096947 /nfs/dbraw/zinc/09/69/47/432096947.db2.gz UVHJQVZHGSTNEX-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN Cc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000171046621 432097648 /nfs/dbraw/zinc/09/76/48/432097648.db2.gz UGADPCNVKZRAPY-UHFFFAOYSA-N 0 0 322.412 3.382 10 30 DGEERN CS[C@H](CNC(=O)NCC1CCC(C#N)CC1)C(C)(C)C ZINC000440987354 239001089 /nfs/dbraw/zinc/00/10/89/239001089.db2.gz HNZHWMNRDXNKOU-JXQTWKCFSA-N 0 0 311.495 3.393 10 30 DGEERN CNC(=S)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000006674434 181369224 /nfs/dbraw/zinc/36/92/24/181369224.db2.gz KMESIGQIGFXWQY-VXLYETTFSA-N 0 0 321.490 3.415 10 30 DGEERN CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075680684 283824653 /nfs/dbraw/zinc/82/46/53/283824653.db2.gz PRCMOJQWPBDZKN-CRAIPNDOSA-N 0 0 322.408 3.463 10 30 DGEERN CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(C#N)n1C ZINC000450057675 240543798 /nfs/dbraw/zinc/54/37/98/240543798.db2.gz AEFAHDMOXJOOOW-UHFFFAOYSA-N 0 0 300.337 3.108 10 30 DGEERN C=CC[C@]1(C(=O)OCC)CCCN1C(=O)OCc1ccccc1 ZINC000091361795 193046136 /nfs/dbraw/zinc/04/61/36/193046136.db2.gz WCEPSINLMLXEEU-GOSISDBHSA-N 0 0 317.385 3.297 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)CCCCC1 ZINC000451369375 241097678 /nfs/dbraw/zinc/09/76/78/241097678.db2.gz MZTLCZRNIYJVKI-APWZRJJASA-N 0 0 321.461 3.310 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CCCC1 ZINC000451388148 241106289 /nfs/dbraw/zinc/10/62/89/241106289.db2.gz JCRHETOOUQFSCK-GJYPPUQNSA-N 0 0 321.461 3.308 10 30 DGEERN CN([C@@H]1CCC(C)(C)C1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451482616 241140304 /nfs/dbraw/zinc/14/03/04/241140304.db2.gz DCCZWZPLNJXENA-OAHLLOKOSA-N 0 0 324.421 3.038 10 30 DGEERN COC(=O)c1ccc(OC)cc1OCc1ccc(C#N)c(F)c1 ZINC000189977593 432108596 /nfs/dbraw/zinc/10/85/96/432108596.db2.gz ZIRFVCFVBRFKSJ-UHFFFAOYSA-N 0 0 315.300 3.072 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000451476268 241136220 /nfs/dbraw/zinc/13/62/20/241136220.db2.gz UNNRKZKGNMJLGP-HNNXBMFYSA-N 0 0 309.356 3.440 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000451476269 241137419 /nfs/dbraw/zinc/13/74/19/241137419.db2.gz UNNRKZKGNMJLGP-OAHLLOKOSA-N 0 0 309.356 3.440 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000275328136 212274015 /nfs/dbraw/zinc/27/40/15/212274015.db2.gz YVBFXYKRMRJUNI-NSHDSACASA-N 0 0 305.809 3.445 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000451806266 241241118 /nfs/dbraw/zinc/24/11/18/241241118.db2.gz DTKCHUDWLZNBJV-PHIMTYICSA-N 0 0 313.323 3.090 10 30 DGEERN C=CCC1(NS(=O)(=O)Cc2cccc(OC)c2)CCCCC1 ZINC000451943890 241280896 /nfs/dbraw/zinc/28/08/96/241280896.db2.gz YDGZQOTUHKCMEZ-UHFFFAOYSA-N 0 0 323.458 3.394 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)CSc1ccc(C#N)cc1 ZINC000171165920 432110268 /nfs/dbraw/zinc/11/02/68/432110268.db2.gz UKPOVJKKNAHBIT-UHFFFAOYSA-N 0 0 324.405 3.248 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000453704893 241851014 /nfs/dbraw/zinc/85/10/14/241851014.db2.gz XHBXXTBOWOHUQD-ZDUSSCGKSA-N 0 0 318.417 3.057 10 30 DGEERN C=CCC1(CNC(=O)NCC[C@@H](OC)C(F)(F)F)CCCC1 ZINC000454828522 242043792 /nfs/dbraw/zinc/04/37/92/242043792.db2.gz OEYTULIKRPMQFR-GFCCVEGCSA-N 0 0 322.371 3.390 10 30 DGEERN COc1ccc(CSCC(=O)NCCC(C)(C)C)cc1C#N ZINC000135322281 432112409 /nfs/dbraw/zinc/11/24/09/432112409.db2.gz JHLMXYAEAXDFFK-UHFFFAOYSA-N 0 0 320.458 3.352 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000455313868 242166731 /nfs/dbraw/zinc/16/67/31/242166731.db2.gz QZYGDGJNSKDXML-CQSZACIVSA-N 0 0 302.374 3.228 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000455359339 242177960 /nfs/dbraw/zinc/17/79/60/242177960.db2.gz AVTOLSOGCJZCOP-CZUORRHYSA-N 0 0 302.418 3.232 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H](C)C(=O)OC(C)C ZINC000455381153 242186692 /nfs/dbraw/zinc/18/66/92/242186692.db2.gz JTINAGFACMLGSK-ZDUSSCGKSA-N 0 0 304.390 3.267 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000455538262 242228560 /nfs/dbraw/zinc/22/85/60/242228560.db2.gz NRTWSCMVBKEKAG-HNNXBMFYSA-N 0 0 316.449 3.075 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000455540825 242229096 /nfs/dbraw/zinc/22/90/96/242229096.db2.gz WQEGPRNCYFQSFS-KZNAEPCWSA-N 0 0 316.445 3.197 10 30 DGEERN C=C(C)CCNC(=O)c1ccc(C)c(C(=O)NCCC(=C)C)c1 ZINC000456125442 242355178 /nfs/dbraw/zinc/35/51/78/242355178.db2.gz VPKBDFXEBGXPMK-UHFFFAOYSA-N 0 0 314.429 3.387 10 30 DGEERN C=CCC1(CNC(=O)[C@H]2CCCN2CC(F)(F)F)CCCC1 ZINC000456516904 242478738 /nfs/dbraw/zinc/47/87/38/242478738.db2.gz ZWQFTOKKGAMUNU-CYBMUJFWSA-N 0 0 318.383 3.266 10 30 DGEERN C=CCC[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)OCC ZINC000456626190 242509842 /nfs/dbraw/zinc/50/98/42/242509842.db2.gz LBRHCKFDZIAHTC-FYCOFBDGSA-N 0 0 319.376 3.243 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000456673488 242520114 /nfs/dbraw/zinc/52/01/14/242520114.db2.gz TXIOZZRKBZUNDS-XUWVNRHRSA-N 0 0 319.449 3.099 10 30 DGEERN C=CCC1(NC(=O)NCCc2c(C)nn(C)c2C)CCCCC1 ZINC000457814225 242882777 /nfs/dbraw/zinc/88/27/77/242882777.db2.gz KFFTZZUNWGCJCC-UHFFFAOYSA-N 0 0 318.465 3.158 10 30 DGEERN CC#CCCNC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000458659498 243119023 /nfs/dbraw/zinc/11/90/23/243119023.db2.gz OTCRSRXMZGYQAU-UHFFFAOYSA-N 0 0 302.393 3.349 10 30 DGEERN C=C(C)CCNC(=O)N(CC)[C@H](COC)Cc1ccccc1 ZINC000458989395 243220851 /nfs/dbraw/zinc/22/08/51/243220851.db2.gz BDQKMKHNQBWKHE-KRWDZBQOSA-N 0 0 304.434 3.242 10 30 DGEERN Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(C#N)o2)n1 ZINC000460023071 243521660 /nfs/dbraw/zinc/52/16/60/243521660.db2.gz SEBPCNAKCWLMPX-UHFFFAOYSA-N 0 0 315.276 3.125 10 30 DGEERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000112674549 284094265 /nfs/dbraw/zinc/09/42/65/284094265.db2.gz QDERFTOGZJZUOX-CVEARBPZSA-N 0 0 306.431 3.051 10 30 DGEERN C=CCCN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000466742016 243941662 /nfs/dbraw/zinc/94/16/62/243941662.db2.gz VZROIYVOIHXYCF-UHFFFAOYSA-N 0 0 308.230 3.331 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000467759890 244005026 /nfs/dbraw/zinc/00/50/26/244005026.db2.gz PONYCXHAXRCBHL-MRXNPFEDSA-N 0 0 317.429 3.285 10 30 DGEERN O=C(Cc1ccc(Cl)c(F)c1)NCC#Cc1ccccc1 ZINC000468293680 244032242 /nfs/dbraw/zinc/03/22/42/244032242.db2.gz BUSDHSUNUUCTQC-UHFFFAOYSA-N 0 0 301.748 3.190 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)COc1ccc(O)cc1 ZINC000468851517 244067582 /nfs/dbraw/zinc/06/75/82/244067582.db2.gz FZXRVKOIJONTKC-UHFFFAOYSA-N 0 0 303.402 3.366 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCCc1cc(C)c(O)c(C)c1)OCC ZINC000470897911 244194503 /nfs/dbraw/zinc/19/45/03/244194503.db2.gz ACBOBYBRTGWLAH-MRXNPFEDSA-N 0 0 305.418 3.039 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000471844298 244256857 /nfs/dbraw/zinc/25/68/57/244256857.db2.gz LBUQSHHBFSLPAY-UHFFFAOYSA-N 0 0 311.307 3.391 10 30 DGEERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC#Cc1ccccc1 ZINC000471595220 244220626 /nfs/dbraw/zinc/22/06/26/244220626.db2.gz SJCPBOGSEKBZNO-GXTWGEPZSA-N 0 0 310.319 3.020 10 30 DGEERN C=CCCCCNC(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000472847532 244317213 /nfs/dbraw/zinc/31/72/13/244317213.db2.gz DYBBYPRQZLBLMU-YOEHRIQHSA-N 0 0 302.418 3.376 10 30 DGEERN C=C(C)CS(=O)(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000477493369 244577542 /nfs/dbraw/zinc/57/75/42/244577542.db2.gz HLFSNEZKISVXIO-QGZVFWFLSA-N 0 0 307.459 3.380 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000094068321 193343637 /nfs/dbraw/zinc/34/36/37/193343637.db2.gz WLVFOAQURXPBCN-GJZGRUSLSA-N 0 0 314.429 3.499 10 30 DGEERN N#Cc1ccc(Oc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000094592798 193381899 /nfs/dbraw/zinc/38/18/99/193381899.db2.gz UILZOAXREJSGFW-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000488302559 245175469 /nfs/dbraw/zinc/17/54/69/245175469.db2.gz SVNGPQTWNJPBLS-LBPRGKRZSA-N 0 0 320.389 3.285 10 30 DGEERN COc1cc(OC)c(OC)cc1C=NNc1ccc(C)cc1 ZINC000007931059 181509401 /nfs/dbraw/zinc/50/94/01/181509401.db2.gz LTMUCVXWJCGCFL-WOJGMQOQSA-N 0 0 300.358 3.467 10 30 DGEERN C=C(C)CNC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000488568763 245211379 /nfs/dbraw/zinc/21/13/79/245211379.db2.gz BIWBHVIWMLPGPI-KRWDZBQOSA-N 0 0 312.417 3.117 10 30 DGEERN C=CCSCCNC(=O)Nc1cc(-c2ccsc2)nn1C ZINC000489734387 245340541 /nfs/dbraw/zinc/34/05/41/245340541.db2.gz IHLRCFXRAZRBFC-UHFFFAOYSA-N 0 0 322.459 3.189 10 30 DGEERN C=CCCCS(=O)(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000489654321 245333378 /nfs/dbraw/zinc/33/33/78/245333378.db2.gz LHSGFAVFSCPAQP-LLVKDONJSA-N 0 0 310.444 3.243 10 30 DGEERN Cc1cc2c(cc1NC(=O)[C@H](C)Oc1ccccc1C#N)OCO2 ZINC000181333168 432124310 /nfs/dbraw/zinc/12/43/10/432124310.db2.gz RECMZFFBBWAJQZ-LBPRGKRZSA-N 0 0 324.336 3.001 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2cc(F)ccc2OC)cc1 ZINC000490080789 245379799 /nfs/dbraw/zinc/37/97/99/245379799.db2.gz PEIVQLRNWGBMDR-UHFFFAOYSA-N 0 0 315.344 3.329 10 30 DGEERN COc1cccc(C=NN2C(=S)N=NC2c2cccs2)c1 ZINC000013146687 181833110 /nfs/dbraw/zinc/83/31/10/181833110.db2.gz JLIGEMBNADNKAK-DHDCSXOGSA-N 0 0 316.411 3.186 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c[nH]1 ZINC000181384158 432125546 /nfs/dbraw/zinc/12/55/46/432125546.db2.gz WNLOIDUPFYBOED-CQSZACIVSA-N 0 0 315.760 3.183 10 30 DGEERN N#Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 ZINC000014005002 181919351 /nfs/dbraw/zinc/91/93/51/181919351.db2.gz LXMPTQJEKLGEAR-UHFFFAOYSA-N 0 0 315.785 3.338 10 30 DGEERN N#Cc1cccc(COc2ccc(Br)cc2CO)c1 ZINC000014339118 181948466 /nfs/dbraw/zinc/94/84/66/181948466.db2.gz AIYPBANXNXXCCX-UHFFFAOYSA-N 0 0 318.170 3.392 10 30 DGEERN NC(=NC(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2o1 ZINC000015974593 182027267 /nfs/dbraw/zinc/02/72/67/182027267.db2.gz VIRDFUGLZZILRG-UHFFFAOYSA-N 0 0 314.732 3.048 10 30 aggregator DGEERN O=C1Nc2ccccc2/C1=N/N=C/c1cc2ccccc2cc1O ZINC000016545716 182049115 /nfs/dbraw/zinc/04/91/15/182049115.db2.gz WXMOCWZMMFIQKY-RGVLZGJSSA-N 0 0 315.332 3.321 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccccc1N(C)C ZINC000128557605 284379069 /nfs/dbraw/zinc/37/90/69/284379069.db2.gz GINAHJRUEGDPEN-AWEZNQCLSA-N 0 0 323.396 3.055 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000135097019 335019771 /nfs/dbraw/zinc/01/97/71/335019771.db2.gz MFSAYMJUBSLDFK-XJKSGUPXSA-N 0 0 300.402 3.319 10 30 DGEERN N/C(=N\O)c1ccccc1OCc1cccc(Br)c1 ZINC000019514958 182127558 /nfs/dbraw/zinc/12/75/58/182127558.db2.gz FOXRMGYRGVZFLD-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN CCc1cc2c(nc(C)n(Cc3ccccc3C#N)c2=O)s1 ZINC000020158473 182193926 /nfs/dbraw/zinc/19/39/26/182193926.db2.gz IRTAMJWGYILYDE-UHFFFAOYSA-N 0 0 309.394 3.249 10 30 DGEERN CC/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000020551515 182231074 /nfs/dbraw/zinc/23/10/74/182231074.db2.gz XYHNQMCYPSXMTQ-ICFOKQHNSA-N 0 0 322.817 3.433 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000267463860 206086430 /nfs/dbraw/zinc/08/64/30/206086430.db2.gz WKCYBHGLRZOQFC-CQSZACIVSA-N 0 0 319.453 3.063 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ccc(OCC)c(F)c1 ZINC000494883454 246206953 /nfs/dbraw/zinc/20/69/53/246206953.db2.gz QKNQFXKUWBXRDD-AWEZNQCLSA-N 0 0 306.381 3.475 10 30 DGEERN N#Cc1ccc(CCC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000024699969 182388527 /nfs/dbraw/zinc/38/85/27/182388527.db2.gz AFKGHKCTIDRAIR-QGZVFWFLSA-N 0 0 306.365 3.131 10 30 DGEERN COc1cc(/C=N\NC(=S)Nc2ccc(C)cc2)ccc1O ZINC000037501277 182900686 /nfs/dbraw/zinc/90/06/86/182900686.db2.gz CBHCNYCAJSYRKT-YVLHZVERSA-N 0 0 315.398 3.030 10 30 DGEERN C#CCn1c(CCCCCNC(=O)/C=C/C)nc2ccccc21 ZINC000040219403 183047230 /nfs/dbraw/zinc/04/72/30/183047230.db2.gz XAYOVEJHBNQBMN-XCVCLJGOSA-N 0 0 309.413 3.075 10 30 DGEERN C=CCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040276540 183050608 /nfs/dbraw/zinc/05/06/08/183050608.db2.gz BRWWAPHPXPYJKM-UHFFFAOYSA-N 0 0 305.381 3.461 10 30 DGEERN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NCc1ccncc1 ZINC000040373747 183057008 /nfs/dbraw/zinc/05/70/08/183057008.db2.gz OMTYPAJSHCTXMK-UHFFFAOYSA-N 0 0 321.296 3.129 10 30 DGEERN C=CCNc1ncnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040708929 183121408 /nfs/dbraw/zinc/12/14/08/183121408.db2.gz MGKQGLDHYMVDQK-UHFFFAOYSA-N 0 0 306.373 3.257 10 30 DGEERN C=CCNc1ncnc(Sc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040598795 183107873 /nfs/dbraw/zinc/10/78/73/183107873.db2.gz DTOHCJARQSAYKK-UHFFFAOYSA-N 0 0 302.359 3.442 10 30 DGEERN C=CCNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040598987 183108200 /nfs/dbraw/zinc/10/82/00/183108200.db2.gz OKIBLHKQCKJONY-UHFFFAOYSA-N 0 0 307.260 3.005 10 30 DGEERN COc1cccc2c1cc(C(=O)Nc1ccc(C#N)cc1)n2C ZINC000040788498 183133808 /nfs/dbraw/zinc/13/38/08/183133808.db2.gz XWCXSZGMTHLXAA-UHFFFAOYSA-N 0 0 305.337 3.311 10 30 DGEERN CC(C)N(CC/C(N)=N/O)Cc1c(Cl)cccc1Cl ZINC000042529159 183280822 /nfs/dbraw/zinc/28/08/22/183280822.db2.gz GNTIIRRYNFSVDG-UHFFFAOYSA-N 0 0 304.221 3.340 10 30 DGEERN COc1ccc(CSCc2nc([C@@H](C)OC)no2)cc1C#N ZINC000161697862 284718479 /nfs/dbraw/zinc/71/84/79/284718479.db2.gz ICMRXJDSLRBXAV-SNVBAGLBSA-N 0 0 319.386 3.091 10 30 DGEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccccc1Br ZINC000106463493 194216985 /nfs/dbraw/zinc/21/69/85/194216985.db2.gz PXZSISVCDCYSOL-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000106650170 194239679 /nfs/dbraw/zinc/23/96/79/194239679.db2.gz DCRYJLUTIZUCAL-HZPDHXFCSA-N 0 0 310.328 3.448 10 30 DGEERN O=C[C@H]1CCCCN1Cc1cc(Br)ccc1F ZINC000054237936 183930281 /nfs/dbraw/zinc/93/02/81/183930281.db2.gz KURBXKPBDWUJDB-GFCCVEGCSA-N 0 0 300.171 3.142 10 30 DGEERN COc1ccc(Br)cc1NCc1cccnc1C#N ZINC000061658447 184181364 /nfs/dbraw/zinc/18/13/64/184181364.db2.gz VYPFFPBJYJJNAG-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061890802 184193127 /nfs/dbraw/zinc/19/31/27/184193127.db2.gz JKHHAAULZAFDRG-ZYHUDNBSSA-N 0 0 324.222 3.083 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000062194588 184218675 /nfs/dbraw/zinc/21/86/75/184218675.db2.gz NJAHWZPULBPOAQ-GOSISDBHSA-N 0 0 306.365 3.242 10 30 DGEERN C[C@@H]1c2cccn2CCN1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065398204 184335922 /nfs/dbraw/zinc/33/59/22/184335922.db2.gz HCGRHDIGAMKEQD-CQSZACIVSA-N 0 0 314.454 3.249 10 30 DGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000117598280 194834714 /nfs/dbraw/zinc/83/47/14/194834714.db2.gz DDQVRKMNJKETRY-ACJLOTCBSA-N 0 0 306.365 3.081 10 30 DGEERN CCN(C(=O)[C@@H]1CCOC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000248866396 285033853 /nfs/dbraw/zinc/03/38/53/285033853.db2.gz NIEXELPPXYCBBB-JKIFEVAISA-N 0 0 300.402 3.140 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000249142861 285059785 /nfs/dbraw/zinc/05/97/85/285059785.db2.gz YHVFVRNDLOFRSY-IJEWVQPXSA-N 0 0 300.402 3.411 10 30 DGEERN CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000249394654 285071207 /nfs/dbraw/zinc/07/12/07/285071207.db2.gz SLWLPJJKOMWRQO-CZUORRHYSA-N 0 0 307.388 3.281 10 30 DGEERN CCC1(CC)CN([C@H](C)c2cccc(C#N)c2)CC[S@@]1=O ZINC000249404886 285072265 /nfs/dbraw/zinc/07/22/65/285072265.db2.gz WDODHFQPKVAMKJ-SZNDQCEHSA-N 0 0 304.459 3.242 10 30 DGEERN CCOCCNc1c(Br)cc(Cl)cc1C#N ZINC000336771079 253000705 /nfs/dbraw/zinc/00/07/05/253000705.db2.gz UDSOVNUUQRDDIX-UHFFFAOYSA-N 0 0 303.587 3.423 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@@H]2OC)nnc1-c1ccncc1 ZINC000273080595 210459593 /nfs/dbraw/zinc/45/95/93/210459593.db2.gz GTAWSVVCBRDMNV-KBPBESRZSA-N 0 0 316.430 3.186 10 30 DGEERN N#Cc1ccc(F)cc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000159237357 197339023 /nfs/dbraw/zinc/33/90/23/197339023.db2.gz CCBNVTPYDPRWMW-AWEZNQCLSA-N 0 0 310.376 3.026 10 30 DGEERN CSc1nnc(-c2noc([C@@]3(C#N)CC34CCCC4)n2)s1 ZINC000333376183 533085051 /nfs/dbraw/zinc/08/50/51/533085051.db2.gz AGLSAGHUAWVBKT-ZDUSSCGKSA-N 0 0 319.415 3.035 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(CC(C)C)c1C ZINC000271100135 208622460 /nfs/dbraw/zinc/62/24/60/208622460.db2.gz KXPGBWZBHJAAFW-UHFFFAOYSA-N 0 0 303.328 3.038 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC/C=C\c1ccccc1 ZINC000255281017 285141754 /nfs/dbraw/zinc/14/17/54/285141754.db2.gz PAQCGHPBXGBWBL-YYRKOSNBSA-N 0 0 306.365 3.155 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1c(Cl)cccc1OC ZINC000158056247 197239438 /nfs/dbraw/zinc/23/94/38/197239438.db2.gz YNLKCSBRZXHDDI-UHFFFAOYSA-N 0 0 321.726 3.468 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N(CC#N)C2CCCC2)s1 ZINC000176810166 533121765 /nfs/dbraw/zinc/12/17/65/533121765.db2.gz SVZDFJJHUZXLQD-LLVKDONJSA-N 0 0 307.419 3.067 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000156684960 197133285 /nfs/dbraw/zinc/13/32/85/197133285.db2.gz YTSNUKBNTXUELQ-CYBMUJFWSA-N 0 0 323.400 3.390 10 30 DGEERN C[C@@H](Nc1c(C#N)cnc2c(F)ccc(Cl)c21)[C@H](C)CO ZINC000156649709 197130634 /nfs/dbraw/zinc/13/06/34/197130634.db2.gz KWAZXBZBIKIRFT-RKDXNWHRSA-N 0 0 307.756 3.328 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(c3nc(C)cc(C#N)n3)[C@H](C)CO2)c1 ZINC000288384243 285243034 /nfs/dbraw/zinc/24/30/34/285243034.db2.gz LXYBEFINBYSUHQ-CRAIPNDOSA-N 0 0 322.412 3.240 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000120376350 195154723 /nfs/dbraw/zinc/15/47/23/195154723.db2.gz UBTALUPZPIKGAX-UHFFFAOYSA-N 0 0 319.364 3.394 10 30 DGEERN N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151585291 196699764 /nfs/dbraw/zinc/69/97/64/196699764.db2.gz ORSIBQJFABDSDC-HOTGVXAUSA-N 0 0 320.348 3.072 10 30 DGEERN C[C@@]12CC[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O ZINC000504242741 257149425 /nfs/dbraw/zinc/14/94/25/257149425.db2.gz WVAMBAWFDOYFOD-PWEFDDCVSA-N 0 0 302.414 3.058 10 30 DGEERN C[C@@]12CC[C@@H]3[C@H](C[C@]4(CO4)C4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000503943455 257151863 /nfs/dbraw/zinc/15/18/63/257151863.db2.gz GFNJDRLFFJDJAC-LPZFOWTGSA-N 0 0 312.409 3.242 10 30 DGEERN N#Cc1cnc(N2CCC([C@@H]3CCCOC3)CC2)c(Cl)c1 ZINC000378603155 257235353 /nfs/dbraw/zinc/23/53/53/257235353.db2.gz CMJTULOGNLVWMP-CQSZACIVSA-N 0 0 305.809 3.250 10 30 DGEERN CCCO[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000121823944 195354923 /nfs/dbraw/zinc/35/49/23/195354923.db2.gz DTEHYINUHHIPBV-INIZCTEOSA-N 0 0 300.402 3.288 10 30 DGEERN N#Cc1cc(CN2CCO[C@@H](c3ccsc3)C2)ccc1F ZINC000125007000 195701903 /nfs/dbraw/zinc/70/19/03/195701903.db2.gz YWLBTISXKCVLIP-MRXNPFEDSA-N 0 0 302.374 3.332 10 30 DGEERN COc1ccc(C(=O)Nc2cc(C#N)ccn2)c(OCC2CC2)c1 ZINC000436015584 533346414 /nfs/dbraw/zinc/34/64/14/533346414.db2.gz NJNUREONPXLFLE-UHFFFAOYSA-N 0 0 323.352 3.003 10 30 DGEERN COC(=O)CCc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000178686446 533459052 /nfs/dbraw/zinc/45/90/52/533459052.db2.gz BORRCDBISWGMNG-UHFFFAOYSA-N 0 0 322.364 3.225 10 30 DGEERN C=C(C)COc1cccc(NC(=O)COc2ccc(O)cc2)c1 ZINC000469383119 533519573 /nfs/dbraw/zinc/51/95/73/533519573.db2.gz FNEZMOGGZAVDNM-UHFFFAOYSA-N 0 0 313.353 3.365 10 30 DGEERN COc1cc(C(C)=O)c(OC)cc1OCC#Cc1ccccc1 ZINC000188081363 533560695 /nfs/dbraw/zinc/56/06/95/533560695.db2.gz WPQVGMNHAWPEFS-UHFFFAOYSA-N 0 0 310.349 3.337 10 30 DGEERN C[C@H](CC#N)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155778125 533610785 /nfs/dbraw/zinc/61/07/85/533610785.db2.gz NMWGKTZOBAGSJG-RDDDGLTNSA-N 0 0 321.249 3.170 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCCCC2)[C@H]1C(C)C ZINC000616234005 400105763 /nfs/dbraw/zinc/10/57/63/400105763.db2.gz LGIPEPPFLHTSKX-DLBZAZTESA-N 0 0 320.477 3.275 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247960 400109593 /nfs/dbraw/zinc/10/95/93/400109593.db2.gz CXJAGXGLRKMUDB-ACJLOTCBSA-N 0 0 305.381 3.433 10 30 DGEERN Cc1noc([C@@H]2CC[C@H](CNc3ccc(C#N)c(Cl)c3)O2)n1 ZINC000286615010 400081250 /nfs/dbraw/zinc/08/12/50/400081250.db2.gz JHAFAJXWKMBOOC-OCCSQVGLSA-N 0 0 318.764 3.235 10 30 DGEERN C=CC1CCN(C(=O)Nc2cccc(C(=O)OC)c2C)CC1 ZINC000609554272 400173790 /nfs/dbraw/zinc/17/37/90/400173790.db2.gz YVXFJVXFPZLVBT-UHFFFAOYSA-N 0 0 302.374 3.212 10 30 DGEERN N#CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(Cl)n1 ZINC000616581895 400176666 /nfs/dbraw/zinc/17/66/66/400176666.db2.gz KDMZZDZPYGUJRH-UHFFFAOYSA-N 0 0 304.140 3.188 10 30 DGEERN C=CCNC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 ZINC000016825230 400177230 /nfs/dbraw/zinc/17/72/30/400177230.db2.gz SNHXSGKEAMAIRY-SNVBAGLBSA-N 0 0 320.443 3.065 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC([O-])=[NH+]c1cccnc1 ZINC000328626327 400182558 /nfs/dbraw/zinc/18/25/58/400182558.db2.gz LOHWMQQGZHXNQQ-LLVKDONJSA-N 0 0 302.403 3.293 10 30 DGEERN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)C1(C)C ZINC000328622803 400182759 /nfs/dbraw/zinc/18/27/59/400182759.db2.gz IQNHHOGETMVRLT-QKPAOTATSA-N 0 0 317.433 3.445 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000328620426 400182781 /nfs/dbraw/zinc/18/27/81/400182781.db2.gz GZICJKMQOGMHHT-NVXWUHKLSA-N 0 0 324.384 3.009 10 30 DGEERN CC(C)C[C@H](C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000608825181 400126267 /nfs/dbraw/zinc/12/62/67/400126267.db2.gz ISVCJISLDPFKMM-SNVBAGLBSA-N 0 0 315.200 3.427 10 30 DGEERN CC(C)C[C@H](C#N)NC(=O)c1csc(Br)c1 ZINC000608825911 400126696 /nfs/dbraw/zinc/12/66/96/400126696.db2.gz WOAKHLKSPWNTHB-SECBINFHSA-N 0 0 301.209 3.179 10 30 DGEERN N#Cc1cc(F)c(NCC[C@@H]2CCCO2)cc1Br ZINC000310756081 400134687 /nfs/dbraw/zinc/13/46/87/400134687.db2.gz XDVZSOYNYMTCCA-JTQLQIEISA-N 0 0 313.170 3.441 10 30 DGEERN CN(C[C@@H]1CCCO1)c1cc(Br)c(C#N)cc1F ZINC000310758496 400134691 /nfs/dbraw/zinc/13/46/91/400134691.db2.gz XWRKOPFQIYXNIP-JTQLQIEISA-N 0 0 313.170 3.075 10 30 DGEERN C[C@H]1COCC[C@@H]1Nc1cc(Br)c(C#N)cc1F ZINC000310735225 400135058 /nfs/dbraw/zinc/13/50/58/400135058.db2.gz OYGBJAXGIJGTMP-UFBFGSQYSA-N 0 0 313.170 3.297 10 30 DGEERN C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754743 400137992 /nfs/dbraw/zinc/13/79/92/400137992.db2.gz YTLPUGQCTYMKGC-UHFFFAOYSA-N 0 0 321.424 3.042 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000616409523 400141936 /nfs/dbraw/zinc/14/19/36/400141936.db2.gz RMMQUXUOFVAWIE-XWSJACJDSA-N 0 0 313.441 3.353 10 30 DGEERN CC(C)Oc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000609229636 400153199 /nfs/dbraw/zinc/15/31/99/400153199.db2.gz GDYSZFWNPMRDSB-UHFFFAOYSA-N 0 0 312.344 3.415 10 30 DGEERN C=CCOc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000092096152 400153884 /nfs/dbraw/zinc/15/38/84/400153884.db2.gz RNAIGNVQRFXWKQ-ZHALLVOQSA-N 0 0 317.429 3.020 10 30 DGEERN CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1F ZINC000609254353 400155993 /nfs/dbraw/zinc/15/59/93/400155993.db2.gz KSOWLDBOMLSDJW-HNNXBMFYSA-N 0 0 303.381 3.417 10 30 DGEERN Cc1c(F)cccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000610416964 400256318 /nfs/dbraw/zinc/25/63/18/400256318.db2.gz UJBNUCZVNSZXNW-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN C=CCC1(c2nc(-c3ccc(OCC)nc3)no2)CCOCC1 ZINC000351300841 400246472 /nfs/dbraw/zinc/24/64/72/400246472.db2.gz UOCJQWKQICZHAG-UHFFFAOYSA-N 0 0 315.373 3.155 10 30 DGEERN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000610352878 400248521 /nfs/dbraw/zinc/24/85/21/400248521.db2.gz OHAKNORQORXCCO-MJGOQNOKSA-N 0 0 323.371 3.227 10 30 DGEERN C=CCCCc1nc([C@@H](C)n2cc(Br)cn2)no1 ZINC000351376641 400250951 /nfs/dbraw/zinc/25/09/51/400250951.db2.gz GVEONSTUBLOJDM-SECBINFHSA-N 0 0 311.183 3.147 10 30 DGEERN C[C@](CO)(Nc1cc(C#N)c2cc(Cl)ccc2n1)C1CC1 ZINC000092684437 400194876 /nfs/dbraw/zinc/19/48/76/400194876.db2.gz BNWYWEAWVLQGEL-MRXNPFEDSA-N 0 0 301.777 3.333 10 30 DGEERN N#Cc1c(F)cccc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000092825915 400207193 /nfs/dbraw/zinc/20/71/93/400207193.db2.gz XLIMKFXLIURFLM-LBPRGKRZSA-N 0 0 311.364 3.008 10 30 DGEERN C=C1CC(C)(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)C1 ZINC000601640471 400321649 /nfs/dbraw/zinc/32/16/49/400321649.db2.gz OHDODQDSMHMDPL-GXTWGEPZSA-N 0 0 307.434 3.169 10 30 DGEERN Cc1ccc(CCCNC(=O)Cc2cccc(C#N)c2)c(C)c1 ZINC000610520198 400269132 /nfs/dbraw/zinc/26/91/32/400269132.db2.gz KVVXJFSGZRPRBN-UHFFFAOYSA-N 0 0 306.409 3.467 10 30 DGEERN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000610528788 400273181 /nfs/dbraw/zinc/27/31/81/400273181.db2.gz UKFWHZOHTSNBBQ-KBPBESRZSA-N 0 0 308.385 3.117 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000617034515 400286782 /nfs/dbraw/zinc/28/67/82/400286782.db2.gz AFIZYCUPXABBFT-FUHWJXTLSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000617035825 400287724 /nfs/dbraw/zinc/28/77/24/400287724.db2.gz SXSUDDHHQCADBE-HOTGVXAUSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000617036737 400287772 /nfs/dbraw/zinc/28/77/72/400287772.db2.gz DVRGCESPUKBCAL-SJORKVTESA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000617038027 400288894 /nfs/dbraw/zinc/28/88/94/400288894.db2.gz UIKDWNXVESWRQA-DZGCQCFKSA-N 0 0 310.397 3.393 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2c(c1)c(C)nn2C ZINC000617038337 400289359 /nfs/dbraw/zinc/28/93/59/400289359.db2.gz WGCYEMSVVZQJLG-BBRMVZONSA-N 0 0 312.417 3.141 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cn(CCC(C)C)nn1 ZINC000617040505 400290279 /nfs/dbraw/zinc/29/02/79/400290279.db2.gz VENWPPNIJRPWTK-LSDHHAIUSA-N 0 0 304.438 3.189 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2c(=O)n1C ZINC000617043901 400291776 /nfs/dbraw/zinc/29/17/76/400291776.db2.gz GMDFTTZTIYHBPY-YOEHRIQHSA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(NC(C)=O)c1 ZINC000617044588 400292104 /nfs/dbraw/zinc/29/21/04/400292104.db2.gz PVTQSZCIILFVOE-AEFFLSMTSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(NC(C)=O)c1 ZINC000617044589 400292357 /nfs/dbraw/zinc/29/23/57/400292357.db2.gz PVTQSZCIILFVOE-FUHWJXTLSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nn(CC)c1C ZINC000617045324 400292462 /nfs/dbraw/zinc/29/24/62/400292462.db2.gz ZCRQUZWVTUYYAC-RDJZCZTQSA-N 0 0 303.450 3.313 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1nn(C)c2ccccc12 ZINC000617045235 400292487 /nfs/dbraw/zinc/29/24/87/400292487.db2.gz XVRHGPATRSRYDB-HOCLYGCPSA-N 0 0 311.429 3.367 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601654484 400323539 /nfs/dbraw/zinc/32/35/39/400323539.db2.gz HMAVGJFVBCBEJG-UONOGXRCSA-N 0 0 307.434 3.169 10 30 DGEERN CCc1nnc(N2CC(Cc3ccccc3C)C2)c(C#N)c1CC ZINC000610716280 400294778 /nfs/dbraw/zinc/29/47/78/400294778.db2.gz DYDJBAVPGDKXML-UHFFFAOYSA-N 0 0 320.440 3.460 10 30 DGEERN CCO[C@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C1(CC)CC ZINC000504449107 400306712 /nfs/dbraw/zinc/30/67/12/400306712.db2.gz DKUUPUGCDPMCPM-CABCVRRESA-N 0 0 321.465 3.305 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000578065496 400324781 /nfs/dbraw/zinc/32/47/81/400324781.db2.gz KOIOPMRYZDGWLV-HNKHHVNMSA-N 0 0 320.820 3.086 10 30 DGEERN C=CCCCNC(=O)N1CC=C(c2cccc(OC)c2)CC1 ZINC000516709427 400309327 /nfs/dbraw/zinc/30/93/27/400309327.db2.gz KEIKBANPFCHUNU-UHFFFAOYSA-N 0 0 300.402 3.460 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCn3cncc3C2)CCCC1 ZINC000617416871 400384470 /nfs/dbraw/zinc/38/44/70/400384470.db2.gz AZAAWIFWZFFABA-OAHLLOKOSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCCN2C(C)=O)CCCC1 ZINC000617416162 400384645 /nfs/dbraw/zinc/38/46/45/400384645.db2.gz CXHUXTAKNRJJTJ-MRXNPFEDSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CCCC1 ZINC000617417651 400385091 /nfs/dbraw/zinc/38/50/91/400385091.db2.gz AABHHMVNGWABHS-MRXNPFEDSA-N 0 0 315.461 3.397 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3cnn(C)c3C2)CCCC1 ZINC000617417791 400385335 /nfs/dbraw/zinc/38/53/35/400385335.db2.gz GWAUZQLGPFEWHC-HNNXBMFYSA-N 0 0 315.461 3.168 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3cncn3C2)CCCC1 ZINC000617417921 400385722 /nfs/dbraw/zinc/38/57/22/400385722.db2.gz LWZZXQUCYGKNBS-OAHLLOKOSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1scnc1C(C)C ZINC000578377575 400328464 /nfs/dbraw/zinc/32/84/64/400328464.db2.gz SRIINENCCIXPJW-UHFFFAOYSA-N 0 0 309.435 3.068 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC000579458902 400338769 /nfs/dbraw/zinc/33/87/69/400338769.db2.gz UKXJRHJCPIWMKL-HOCLYGCPSA-N 0 0 314.433 3.467 10 30 DGEERN C#CC(C)(C)NCc1cc(Br)c(Br)o1 ZINC000069679333 400338967 /nfs/dbraw/zinc/33/89/67/400338967.db2.gz RKVLHCWJGGQSMG-UHFFFAOYSA-N 0 0 321.012 3.306 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000579832476 400342291 /nfs/dbraw/zinc/34/22/91/400342291.db2.gz DVOVFGOLAIFGBL-MRXNPFEDSA-N 0 0 320.481 3.447 10 30 DGEERN C=C(C)C[C@@H](NC(=O)C/C=C/c1ccc(C)cc1)C(=O)OC ZINC000601781598 400348624 /nfs/dbraw/zinc/34/86/24/400348624.db2.gz JHLPWWPKCASHET-SQRWCISFSA-N 0 0 301.386 3.022 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1oc2c(cccc2C)c1C)C(=O)OC ZINC000601787556 400349306 /nfs/dbraw/zinc/34/93/06/400349306.db2.gz YXYODDBIHFWILS-AWEZNQCLSA-N 0 0 315.369 3.287 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@@H](CC)COCC1CC1 ZINC000617327168 400353609 /nfs/dbraw/zinc/35/36/09/400353609.db2.gz JVUWKBSAKOBFCH-HNNXBMFYSA-N 0 0 303.402 3.186 10 30 DGEERN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000601817842 400356619 /nfs/dbraw/zinc/35/66/19/400356619.db2.gz LUCVSHKNIIUQCY-LSDHHAIUSA-N 0 0 314.385 3.024 10 30 DGEERN COc1ccc(F)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000611262541 400368538 /nfs/dbraw/zinc/36/85/38/400368538.db2.gz USUKNWREEIJTTB-UHFFFAOYSA-N 0 0 317.295 3.167 10 30 DGEERN C=CCC1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCC1 ZINC000590725368 400423348 /nfs/dbraw/zinc/42/33/48/400423348.db2.gz ZXVFSPNFXASRCJ-UHFFFAOYSA-N 0 0 305.378 3.218 10 30 DGEERN C=CCN(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)[C@H](C)COC ZINC000617584976 400419753 /nfs/dbraw/zinc/41/97/53/400419753.db2.gz PUCYDLBQFDYJRQ-HFTRVMKXSA-N 0 0 317.429 3.238 10 30 DGEERN C=CCN(C(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@H](C)COC ZINC000617584993 400420121 /nfs/dbraw/zinc/42/01/21/400420121.db2.gz QDYSWBSTOKYDMC-KDOFPFPSSA-N 0 0 317.429 3.325 10 30 DGEERN C=CCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000617612529 400426567 /nfs/dbraw/zinc/42/65/67/400426567.db2.gz AZNGKHSIHCRXDV-UHFFFAOYSA-N 0 0 300.406 3.442 10 30 DGEERN C=CCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000617617072 400426740 /nfs/dbraw/zinc/42/67/40/400426740.db2.gz UWEZKDAJPPRMQH-OAHLLOKOSA-N 0 0 301.434 3.186 10 30 DGEERN C[C@H](NCc1csc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000611587723 400427623 /nfs/dbraw/zinc/42/76/23/400427623.db2.gz PMXVXDMWDHXULA-JTQLQIEISA-N 0 0 304.394 3.071 10 30 DGEERN C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(C#N)cc1F ZINC000611591253 400428432 /nfs/dbraw/zinc/42/84/32/400428432.db2.gz HQCFYOZFECZSTN-LLVKDONJSA-N 0 0 309.344 3.156 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000042328575 400429059 /nfs/dbraw/zinc/42/90/59/400429059.db2.gz DLVNPOCZVGQVSC-AWEZNQCLSA-N 0 0 306.837 3.361 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(F)(F)CC ZINC000602361310 400446012 /nfs/dbraw/zinc/44/60/12/400446012.db2.gz PFDZYJWUXJWSLB-UHFFFAOYSA-N 0 0 307.344 3.301 10 30 DGEERN C=CC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2CCCO2)C1 ZINC000611861325 400460027 /nfs/dbraw/zinc/46/00/27/400460027.db2.gz CZGQRPBYQAGZPL-HZPDHXFCSA-N 0 0 318.465 3.373 10 30 DGEERN C=CC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2CCCO2)C1 ZINC000611861326 400460140 /nfs/dbraw/zinc/46/01/40/400460140.db2.gz CZGQRPBYQAGZPL-JKSUJKDBSA-N 0 0 318.465 3.373 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000602376059 400448021 /nfs/dbraw/zinc/44/80/21/400448021.db2.gz GQEWQJGQSCIECF-NSHDSACASA-N 0 0 306.387 3.355 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NCC)c([N+](=O)[O-])c2)C1 ZINC000602376829 400448501 /nfs/dbraw/zinc/44/85/01/400448501.db2.gz MRVWGDRKOKUQGZ-GFCCVEGCSA-N 0 0 303.362 3.065 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H](C)c2cscn2)cc1OC ZINC000617829549 400460438 /nfs/dbraw/zinc/46/04/38/400460438.db2.gz IRGQMGAEKPGKMY-NSHDSACASA-N 0 0 318.398 3.208 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000617780574 400452466 /nfs/dbraw/zinc/45/24/66/400452466.db2.gz XHXDUUATRZDZEM-AWEZNQCLSA-N 0 0 312.413 3.007 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1scnc1C1CCCC1)C(=O)OC ZINC000602411017 400455729 /nfs/dbraw/zinc/45/57/29/400455729.db2.gz CEORYFZOLPXHGB-GFCCVEGCSA-N 0 0 322.430 3.038 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccccc1CSCC)C(=O)OC ZINC000602414786 400456603 /nfs/dbraw/zinc/45/66/03/400456603.db2.gz PLWABKJPYOUIGK-HNNXBMFYSA-N 0 0 321.442 3.177 10 30 DGEERN Cc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)ncc1C#N ZINC000590902437 400457703 /nfs/dbraw/zinc/45/77/03/400457703.db2.gz YKUYOAMADXKGQA-SFHVURJKSA-N 0 0 322.412 3.358 10 30 DGEERN CC[C@@H](c1ccncc1)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000127882721 400508049 /nfs/dbraw/zinc/50/80/49/400508049.db2.gz DFSHKZOAFLURQV-PBHICJAKSA-N 0 0 323.396 3.330 10 30 DGEERN C[C@@]1(C#N)CCCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000612242655 400512683 /nfs/dbraw/zinc/51/26/83/400512683.db2.gz RGALZDLLUPUMHB-KRWDZBQOSA-N 0 0 300.406 3.223 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000126577794 400493869 /nfs/dbraw/zinc/49/38/69/400493869.db2.gz WBNGHYRKPMTNLA-BBRMVZONSA-N 0 0 306.381 3.091 10 30 DGEERN COc1ccc2nc(C(=O)NCc3cccc(C#N)c3)ccc2c1 ZINC000045406288 400520940 /nfs/dbraw/zinc/52/09/40/400520940.db2.gz PDFLYZXTUOLSMF-UHFFFAOYSA-N 0 0 317.348 3.045 10 30 DGEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC(C)(C)C1 ZINC000612371795 400533224 /nfs/dbraw/zinc/53/32/24/400533224.db2.gz QAKFJGUTSTZYHF-LBPRGKRZSA-N 0 0 303.381 3.275 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCc1cccc(OC2CC2)c1F ZINC000618140376 400533436 /nfs/dbraw/zinc/53/34/36/400533436.db2.gz PMCIJJXIAYPVGC-SFHVURJKSA-N 0 0 321.392 3.212 10 30 DGEERN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1nccs1 ZINC000130821153 400542979 /nfs/dbraw/zinc/54/29/79/400542979.db2.gz IUOAUXTUUKIYML-YPMHNXCESA-N 0 0 315.398 3.050 10 30 DGEERN C=CCC1(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)CCOCC1 ZINC000618251237 400552453 /nfs/dbraw/zinc/55/24/53/400552453.db2.gz FMMSRZAVFCVFCR-CRAIPNDOSA-N 0 0 303.377 3.113 10 30 DGEERN C=C(C)C[C@H](NCc1ccc(CC(F)(F)F)cc1)C(=O)OC ZINC000602737981 400557840 /nfs/dbraw/zinc/55/78/40/400557840.db2.gz FBTLHOJOZFNKIH-AWEZNQCLSA-N 0 0 315.335 3.389 10 30 DGEERN C=C(C)C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC000602735282 400558835 /nfs/dbraw/zinc/55/88/35/400558835.db2.gz UDJXZDSLRLEYIM-MOQPWLNLSA-N 0 0 309.356 3.308 10 30 DGEERN C#CCCC(=O)c1ncc(Br)cc1Br ZINC000133070212 400566958 /nfs/dbraw/zinc/56/69/58/400566958.db2.gz LRSKJHCVWWEQCW-UHFFFAOYSA-N 0 0 316.980 3.203 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc2ccsc21 ZINC000612867488 400619212 /nfs/dbraw/zinc/61/92/12/400619212.db2.gz AQHAGJHQWFSDCH-CQSZACIVSA-N 0 0 302.399 3.311 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000591988840 400593006 /nfs/dbraw/zinc/59/30/06/400593006.db2.gz XWTDDRJOEJRJDB-MELADBBJSA-N 0 0 310.438 3.151 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000612760430 400597741 /nfs/dbraw/zinc/59/77/41/400597741.db2.gz VRKBFSAQMHTCPI-INIZCTEOSA-N 0 0 318.417 3.233 10 30 DGEERN C=C(CC)CNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592030209 400598313 /nfs/dbraw/zinc/59/83/13/400598313.db2.gz QSWCBBBHVACQAU-UHFFFAOYSA-N 0 0 310.438 3.106 10 30 DGEERN C=CCOCCCNC(=O)c1cc2ccc(F)cc2nc1C ZINC000618513500 400608242 /nfs/dbraw/zinc/60/82/42/400608242.db2.gz CJFMHFPAWQVSAQ-UHFFFAOYSA-N 0 0 302.349 3.005 10 30 DGEERN C=CCOCCCNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000618513393 400608434 /nfs/dbraw/zinc/60/84/34/400608434.db2.gz AJUJIOGMNBQHHX-UHFFFAOYSA-N 0 0 305.393 3.346 10 30 DGEERN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000047282120 400609706 /nfs/dbraw/zinc/60/97/06/400609706.db2.gz FYBNDTKFDDJCBV-UHFFFAOYSA-N 0 0 320.801 3.032 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592128412 400610007 /nfs/dbraw/zinc/61/00/07/400610007.db2.gz LTZTVYQNEPUPHZ-ILXRZTDVSA-N 0 0 322.449 3.247 10 30 DGEERN C=CCOCCCNC(=O)C1(c2ccc(C)c(OC)c2)CCC1 ZINC000618522538 400611008 /nfs/dbraw/zinc/61/10/08/400611008.db2.gz LWKQCDGZCCKLHQ-UHFFFAOYSA-N 0 0 317.429 3.134 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(Br)cc1C ZINC000618521289 400611025 /nfs/dbraw/zinc/61/10/25/400611025.db2.gz SCFDRGOCAQIDIW-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=CCOCCCNC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000618525756 400611680 /nfs/dbraw/zinc/61/16/80/400611680.db2.gz HSDZREVCNCIEPT-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(Cl)c2ncccc12 ZINC000618524599 400611831 /nfs/dbraw/zinc/61/18/31/400611831.db2.gz LAGREFPZFZFAPN-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603159575 400651542 /nfs/dbraw/zinc/65/15/42/400651542.db2.gz WVLLNCNFCCGIGU-HKUYNNGSSA-N 0 0 311.429 3.198 10 30 DGEERN C#Cc1cccc(Nc2ncnc3cc(OCC)c(N)cc32)c1 ZINC000145450899 400645905 /nfs/dbraw/zinc/64/59/05/400645905.db2.gz AYSMISRWTYLSFS-UHFFFAOYSA-N 0 0 304.353 3.336 10 30 DGEERN CC(C)[C@H](C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000148238385 400654094 /nfs/dbraw/zinc/65/40/94/400654094.db2.gz UNTBFWRGIRZZGF-SKDRFNHKSA-N 0 0 315.200 3.425 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H]2C#N)C12CCCC2 ZINC000613166444 400666218 /nfs/dbraw/zinc/66/62/18/400666218.db2.gz SCMWZNLXQUZMTP-FXUDXRNXSA-N 0 0 319.449 3.058 10 30 DGEERN O=C1/C(=C/c2ccccc2)CS(=O)(=O)C/C1=C\c1ccccc1 ZINC000149893145 400661640 /nfs/dbraw/zinc/66/16/40/400661640.db2.gz IYAJZHOOMHWDGK-JYFOCSDGSA-N 0 0 324.401 3.151 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CCF)C1 ZINC000618694987 400669437 /nfs/dbraw/zinc/66/94/37/400669437.db2.gz DVDPNQXVHFMGMY-AWEZNQCLSA-N 0 0 321.392 3.472 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000076946932 400681549 /nfs/dbraw/zinc/68/15/49/400681549.db2.gz OQWQEZWQGHLSBO-OAHLLOKOSA-N 0 0 301.434 3.045 10 30 DGEERN C=CCCCN(C)C(=O)NCC1(c2ccccc2OC)CC1 ZINC000076954174 400681863 /nfs/dbraw/zinc/68/18/63/400681863.db2.gz QGDSZSAVGQIDHZ-UHFFFAOYSA-N 0 0 302.418 3.334 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(SC)c1C ZINC000613260161 400684343 /nfs/dbraw/zinc/68/43/43/400684343.db2.gz NDSKQGRBKPEMLB-CQSZACIVSA-N 0 0 306.431 3.126 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(SC)ccc1C ZINC000613267688 400685940 /nfs/dbraw/zinc/68/59/40/400685940.db2.gz XSYLCYRYEGUYOG-OAHLLOKOSA-N 0 0 306.431 3.126 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000618969495 400731493 /nfs/dbraw/zinc/73/14/93/400731493.db2.gz ZKCKTQJVSOISPU-WBVHZDCISA-N 0 0 303.377 3.155 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC=CCC1 ZINC000077641800 400734233 /nfs/dbraw/zinc/73/42/33/400734233.db2.gz QQYSZOFPROMYHQ-OAHLLOKOSA-N 0 0 315.373 3.401 10 30 DGEERN C=C(C)CN(C)C(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000613304820 400693955 /nfs/dbraw/zinc/69/39/55/400693955.db2.gz JPMISYUEADCAFT-INIZCTEOSA-N 0 0 322.408 3.241 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCC(CC)(CC)CC1 ZINC000613867306 400804765 /nfs/dbraw/zinc/80/47/65/400804765.db2.gz ZCDPESQRAMKCFS-INIZCTEOSA-N 0 0 308.466 3.276 10 30 DGEERN N#Cc1ccc(NCCCCn2cnnc2)c(C(F)(F)F)c1 ZINC000078509784 400805954 /nfs/dbraw/zinc/80/59/54/400805954.db2.gz MQHOFGQZXZARFT-UHFFFAOYSA-N 0 0 309.295 3.061 10 30 DGEERN CCc1cnc(CCNc2ccc([N+](=O)[O-])cc2C#N)s1 ZINC000078513358 400806690 /nfs/dbraw/zinc/80/66/90/400806690.db2.gz YFJHCISYRKQBSV-UHFFFAOYSA-N 0 0 302.359 3.140 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1 ZINC000619238651 400807234 /nfs/dbraw/zinc/80/72/34/400807234.db2.gz MVSQQHQROWPREX-CYBMUJFWSA-N 0 0 324.446 3.013 10 30 DGEERN N#Cc1ccc(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000171831841 400808160 /nfs/dbraw/zinc/80/81/60/400808160.db2.gz JEWSSIIXSKLOQC-QZTJIDSGSA-N 0 0 305.381 3.161 10 30 DGEERN CC(C)COC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000054124210 400810576 /nfs/dbraw/zinc/81/05/76/400810576.db2.gz VYRRYAQQVBNUJY-UHFFFAOYSA-N 0 0 303.362 3.108 10 30 DGEERN C=CCNC(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593295529 400811301 /nfs/dbraw/zinc/81/13/01/400811301.db2.gz QYKIVJLFPNVRNF-GJZGRUSLSA-N 0 0 316.401 3.042 10 30 DGEERN Cc1nc2cc(C(=O)NCc3ccc(C#N)cc3F)ccc2o1 ZINC000619285353 400813509 /nfs/dbraw/zinc/81/35/09/400813509.db2.gz DFERKJGOEZVHGK-UHFFFAOYSA-N 0 0 309.300 3.077 10 30 DGEERN C=C(Cl)CNc1ccc(I)cc1N ZINC000168167453 400756788 /nfs/dbraw/zinc/75/67/88/400756788.db2.gz IGZOCMNFYJGYDH-UHFFFAOYSA-N 0 0 308.550 3.038 10 30 DGEERN N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)c2)cn1 ZINC000168222909 400756795 /nfs/dbraw/zinc/75/67/95/400756795.db2.gz DOXGQQWSDSZPNO-UHFFFAOYSA-N 0 0 312.336 3.141 10 30 DGEERN C=CCC1(NC(=O)c2cccc(-n3cc[nH]c3=O)c2)CCCC1 ZINC000619112171 400772902 /nfs/dbraw/zinc/77/29/02/400772902.db2.gz VYVFEOCJMJOJKX-UHFFFAOYSA-N 0 0 311.385 3.197 10 30 DGEERN C=CCCOCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000604446056 400777249 /nfs/dbraw/zinc/77/72/49/400777249.db2.gz RWNFUXVQUUNBIJ-UHFFFAOYSA-N 0 0 313.382 3.213 10 30 DGEERN CCOc1ccccc1CCC(=O)N(CC#N)C1CCCC1 ZINC000078207927 400778345 /nfs/dbraw/zinc/77/83/45/400778345.db2.gz RWLLZEMWXZAMTE-UHFFFAOYSA-N 0 0 300.402 3.313 10 30 DGEERN COc1ccc2c(CC(=O)NCc3ccc(C#N)cc3)coc2c1 ZINC000078236275 400779947 /nfs/dbraw/zinc/77/99/47/400779947.db2.gz MMAGPYIBDKCZON-UHFFFAOYSA-N 0 0 320.348 3.172 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC1(CC(=O)OC)CC1 ZINC000593202983 400790315 /nfs/dbraw/zinc/79/03/15/400790315.db2.gz BJOMPRDOVATGDC-UHFFFAOYSA-N 0 0 302.374 3.022 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ncc(C#N)cc1Cl ZINC000078381688 400795615 /nfs/dbraw/zinc/79/56/15/400795615.db2.gz UXFQQJOOFLFKOG-VIFPVBQESA-N 0 0 303.797 3.000 10 30 DGEERN C=CC[C@H](C)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000172323193 400820591 /nfs/dbraw/zinc/82/05/91/400820591.db2.gz HJLYHZAJPDYXLL-QMMMGPOBSA-N 0 0 308.179 3.020 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCCc2ccccc2C1 ZINC000171526722 400801428 /nfs/dbraw/zinc/80/14/28/400801428.db2.gz YGSBOWOEVASJOV-HNNXBMFYSA-N 0 0 320.392 3.301 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593546951 400873892 /nfs/dbraw/zinc/87/38/92/400873892.db2.gz AOEZWDLHUKGQHO-UHFFFAOYSA-N 0 0 306.431 3.074 10 30 DGEERN C=C[C@H](CC(=O)NCc1ccc(CO)c(F)c1)c1ccccc1 ZINC000179164638 400876692 /nfs/dbraw/zinc/87/66/92/400876692.db2.gz BCJLXMAPZYXCSX-OAHLLOKOSA-N 0 0 313.372 3.294 10 30 DGEERN C=CCC(C)(C)CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593600669 400878987 /nfs/dbraw/zinc/87/89/87/400878987.db2.gz LWHFGFWYDPWESR-UHFFFAOYSA-N 0 0 320.458 3.368 10 30 DGEERN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000619658560 400879100 /nfs/dbraw/zinc/87/91/00/400879100.db2.gz JRLASBJRKDPXIZ-XVDPQKCLSA-N 0 0 311.429 3.346 10 30 DGEERN CN1CC[C@H](C(=O)NCC2CCC(C#N)CC2)c2ccccc21 ZINC000619674630 400882292 /nfs/dbraw/zinc/88/22/92/400882292.db2.gz SVEBGMSCIYKSDO-DQPZFDDXSA-N 0 0 311.429 3.056 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)CC(=C)C ZINC000613988114 400823027 /nfs/dbraw/zinc/82/30/27/400823027.db2.gz XPKMCRUWYFDRJF-LUKYLMHMSA-N 0 0 320.477 3.345 10 30 DGEERN CSCCCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000172478952 400829562 /nfs/dbraw/zinc/82/95/62/400829562.db2.gz VAHHNCYJUODTAN-UHFFFAOYSA-N 0 0 308.451 3.379 10 30 DGEERN C=CC[C@@H]1N(C(=O)[C@H]2CCc3nc[nH]c3C2)CCCC1(C)C ZINC000614054925 400831586 /nfs/dbraw/zinc/83/15/86/400831586.db2.gz IACIMMUFEZCNJH-BBRMVZONSA-N 0 0 301.434 3.108 10 30 DGEERN N#Cc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000054655573 400834153 /nfs/dbraw/zinc/83/41/53/400834153.db2.gz DDARDXZQTAZTAG-MOPGFXCFSA-N 0 0 320.392 3.342 10 30 DGEERN Cc1ccccc1-n1nccc1CNCc1ccc(C#N)cc1F ZINC000619426302 400845078 /nfs/dbraw/zinc/84/50/78/400845078.db2.gz RIYNUJGXNWRNTB-UHFFFAOYSA-N 0 0 320.371 3.481 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(F)(F)CC1 ZINC000619457248 400850798 /nfs/dbraw/zinc/85/07/98/400850798.db2.gz ROWVHYYSEMIQPU-HNNXBMFYSA-N 0 0 322.355 3.219 10 30 DGEERN COc1ccc2c(CC(=O)NCC#Cc3ccccc3)coc2c1 ZINC000055316534 400862616 /nfs/dbraw/zinc/86/26/16/400862616.db2.gz VCPPZOATHXNFCR-UHFFFAOYSA-N 0 0 319.360 3.152 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000619540699 400863943 /nfs/dbraw/zinc/86/39/43/400863943.db2.gz PNPGAEOFYHQLBL-HNNXBMFYSA-N 0 0 323.400 3.224 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000619541504 400864079 /nfs/dbraw/zinc/86/40/79/400864079.db2.gz ROIHGBXPJOJBLI-GFCCVEGCSA-N 0 0 311.389 3.298 10 30 DGEERN N#C[C@@]1(F)CCN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000619561309 400866699 /nfs/dbraw/zinc/86/66/99/400866699.db2.gz ITRUUXUTNFJTMC-SCTDSRPQSA-N 0 0 323.371 3.343 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000614728958 400936380 /nfs/dbraw/zinc/93/63/80/400936380.db2.gz LYBRNSUSRHAQLA-IAGOWNOFSA-N 0 0 319.449 3.184 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000614728959 400936988 /nfs/dbraw/zinc/93/69/88/400936988.db2.gz LYBRNSUSRHAQLA-IRXDYDNUSA-N 0 0 319.449 3.184 10 30 DGEERN C=CCCn1cc(CN[C@@H](CCCC#N)c2ccccc2)nn1 ZINC000593994969 400938126 /nfs/dbraw/zinc/93/81/26/400938126.db2.gz OZASCBAMFXNONQ-SFHVURJKSA-N 0 0 309.417 3.379 10 30 DGEERN CC(C)Oc1cc(NC(=O)N2CCC(C)(C#N)CC2)ccn1 ZINC000614751798 400939294 /nfs/dbraw/zinc/93/92/94/400939294.db2.gz DQPFGCDMCIHDEQ-UHFFFAOYSA-N 0 0 302.378 3.026 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000633410072 400940058 /nfs/dbraw/zinc/94/00/58/400940058.db2.gz CCVQCKCTOMXSAN-GFCCVEGCSA-N 0 0 322.371 3.342 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000633411820 400940417 /nfs/dbraw/zinc/94/04/17/400940417.db2.gz YMBBALVVAJOFCE-HNNXBMFYSA-N 0 0 306.406 3.355 10 30 DGEERN C=CCCN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000606756002 400955443 /nfs/dbraw/zinc/95/54/43/400955443.db2.gz MRKIWZBBVCXFQT-HXUWFJFHSA-N 0 0 320.392 3.253 10 30 DGEERN COC(=O)c1cc(Br)ccc1C#C[Si](C)(C)C ZINC000217594639 400950385 /nfs/dbraw/zinc/95/03/85/400950385.db2.gz VXBJQCKLMLTPPP-UHFFFAOYSA-N 0 0 311.251 3.465 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)CC1 ZINC000182232768 400891698 /nfs/dbraw/zinc/89/16/98/400891698.db2.gz WDMLKFWFCSXTCS-UHFFFAOYSA-N 0 0 302.337 3.370 10 30 DGEERN C=CCCOCCNC(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000182542831 400893480 /nfs/dbraw/zinc/89/34/80/400893480.db2.gz LMLBKIGELBEJJC-UHFFFAOYSA-N 0 0 310.781 3.257 10 30 DGEERN CC(C)c1csc([C@H]2CCCN(C(=O)NC[C@@H](C)C#N)C2)n1 ZINC000182837340 400898372 /nfs/dbraw/zinc/89/83/72/400898372.db2.gz HCBWCQGKCGQKJX-STQMWFEESA-N 0 0 320.462 3.315 10 30 DGEERN CC(C)c1csc([C@@H]2CCCN(C(=O)NC[C@H](C)C#N)C2)n1 ZINC000182837358 400898714 /nfs/dbraw/zinc/89/87/14/400898714.db2.gz HCBWCQGKCGQKJX-CHWSQXEVSA-N 0 0 320.462 3.315 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000183859174 400902197 /nfs/dbraw/zinc/90/21/97/400902197.db2.gz DBBIEAWNIABPCA-KRWDZBQOSA-N 0 0 316.445 3.026 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593757206 400905432 /nfs/dbraw/zinc/90/54/32/400905432.db2.gz ADEMLWZWHFEZHZ-ZDUSSCGKSA-N 0 0 307.401 3.369 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000185787043 400905465 /nfs/dbraw/zinc/90/54/65/400905465.db2.gz QKYPMVRGHSXFEZ-INIZCTEOSA-N 0 0 305.393 3.081 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000185787063 400905550 /nfs/dbraw/zinc/90/55/50/400905550.db2.gz QKYPMVRGHSXFEZ-MRXNPFEDSA-N 0 0 305.393 3.081 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NCC1(C#N)CCCC1 ZINC000593773176 400906206 /nfs/dbraw/zinc/90/62/06/400906206.db2.gz BIXLGNVWWMWKCP-UHFFFAOYSA-N 0 0 314.385 3.074 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000079957705 400908279 /nfs/dbraw/zinc/90/82/79/400908279.db2.gz SDZYGRZNWZZJRA-ZDUSSCGKSA-N 0 0 301.390 3.113 10 30 DGEERN C=CCCn1cc(C[S@](=O)C(C)(C)c2ccccc2)nn1 ZINC000593943622 400923399 /nfs/dbraw/zinc/92/33/99/400923399.db2.gz WMYPXSVULONDRT-NRFANRHFSA-N 0 0 303.431 3.038 10 30 DGEERN C=CCCOCCCCC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000619924267 400926720 /nfs/dbraw/zinc/92/67/20/400926720.db2.gz FLGNQAMJZHDTEU-INIZCTEOSA-N 0 0 309.450 3.310 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000633518336 400984846 /nfs/dbraw/zinc/98/48/46/400984846.db2.gz RCOIYKRALIVQOL-VVLHAWIVSA-N 0 0 304.434 3.227 10 30 DGEERN C=CCCCCCN(C)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000606932991 400985831 /nfs/dbraw/zinc/98/58/31/400985831.db2.gz MQRRVKNZNYVYIW-UHFFFAOYSA-N 0 0 316.445 3.238 10 30 DGEERN C=CCCC(C)(C)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000620856284 400997066 /nfs/dbraw/zinc/99/70/66/400997066.db2.gz RZWVXVCDSLAKLA-UHFFFAOYSA-N 0 0 300.402 3.391 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080897694 400997327 /nfs/dbraw/zinc/99/73/27/400997327.db2.gz LGENZWVJXXKXJA-UONOGXRCSA-N 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/nfs/dbraw/zinc/96/77/86/400967786.db2.gz CQRZEDAZIFEIBO-RRFJBIMHSA-N 0 0 316.449 3.473 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N(C)Cc1cc(C)cc(C)c1 ZINC000624847757 400968952 /nfs/dbraw/zinc/96/89/52/400968952.db2.gz YMWSVDAJFXDWHR-UHFFFAOYSA-N 0 0 322.416 3.107 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC000624849769 400969224 /nfs/dbraw/zinc/96/92/24/400969224.db2.gz GHLDVCWPUOTWLK-KQIUPUNMSA-N 0 0 312.421 3.037 10 30 DGEERN C#C[C@H](C)Nc1ccc(Cl)cc1I ZINC000232244114 400971437 /nfs/dbraw/zinc/97/14/37/400971437.db2.gz XVWQUPIHFVTALD-ZETCQYMHSA-N 0 0 305.546 3.378 10 30 DGEERN CC#CCC(=O)c1ccc(F)cc1I ZINC000232655123 400971511 /nfs/dbraw/zinc/97/15/11/400971511.db2.gz GFHHBZFYXRICND-UHFFFAOYSA-N 0 0 302.086 3.026 10 30 DGEERN N#CCC(=O)c1cc(Cl)ccc1I ZINC000236048359 400976071 /nfs/dbraw/zinc/97/60/71/400976071.db2.gz QGAXAPGRLJCMDA-UHFFFAOYSA-N 0 0 305.502 3.041 10 30 DGEERN N#CC[C@H](O)c1ccc(Br)c(Br)c1 ZINC000236511644 400978551 /nfs/dbraw/zinc/97/85/51/400978551.db2.gz 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3.429 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000629731497 401062654 /nfs/dbraw/zinc/06/26/54/401062654.db2.gz ABTXKSXQSQEHGB-UHFFFAOYSA-N 0 0 312.413 3.033 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000081052171 401023538 /nfs/dbraw/zinc/02/35/38/401023538.db2.gz QGCSDMAYYCAQQW-SJORKVTESA-N 0 0 307.397 3.353 10 30 DGEERN CC(C)c1cc(C(=O)N(C)CCC#N)c2cnn(C(C)C)c2n1 ZINC000057814312 401028639 /nfs/dbraw/zinc/02/86/39/401028639.db2.gz FIARNYPPDABRTH-UHFFFAOYSA-N 0 0 313.405 3.121 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC000615453202 401082926 /nfs/dbraw/zinc/08/29/26/401082926.db2.gz PHVBQFOOZOYPFF-FZKQIMNGSA-N 0 0 314.429 3.212 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594280026 401040585 /nfs/dbraw/zinc/04/05/85/401040585.db2.gz MBAVNAHKVBLAHC-XDQVBPFNSA-N 0 0 324.465 3.253 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H](c2ccccn2)C1)OCC ZINC000615256785 401043443 /nfs/dbraw/zinc/04/34/43/401043443.db2.gz PXHPRDRQBVYVIJ-WBVHZDCISA-N 0 0 302.418 3.159 10 30 DGEERN C=CC(C)(C)CCNS(=O)(=O)c1ccccc1-c1ccno1 ZINC000625327661 401101757 /nfs/dbraw/zinc/10/17/57/401101757.db2.gz JXKMLAANNQWUHV-UHFFFAOYSA-N 0 0 320.414 3.222 10 30 DGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000625353158 401107978 /nfs/dbraw/zinc/10/79/78/401107978.db2.gz AOULVJRWEPEEMW-SNVBAGLBSA-N 0 0 303.786 3.066 10 30 DGEERN C=CCCn1cc(CSCc2cccc(NC(C)=O)c2)nn1 ZINC000594556663 401109300 /nfs/dbraw/zinc/10/93/00/401109300.db2.gz FDMLPRSSFCUWHX-UHFFFAOYSA-N 0 0 316.430 3.246 10 30 DGEERN C=CC[C@H]1CCN(S(=O)(=O)CCc2ccc(Cl)cc2)C1 ZINC000625355760 401109773 /nfs/dbraw/zinc/10/97/73/401109773.db2.gz VBCOTFWLYRBOJU-AWEZNQCLSA-N 0 0 313.850 3.110 10 30 DGEERN C=CCC[C@@H](C(=O)Nc1nnc(OC)s1)c1ccccc1 ZINC000633909311 401145592 /nfs/dbraw/zinc/14/55/92/401145592.db2.gz LQRZJPSMMAOPCJ-GFCCVEGCSA-N 0 0 303.387 3.235 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)NCC[C@H]1CC=CCC1 ZINC000625509113 401145656 /nfs/dbraw/zinc/14/56/56/401145656.db2.gz LQQUZYOCCKULSH-INIZCTEOSA-N 0 0 306.450 3.054 10 30 DGEERN C=CCCn1cc(CSCCC(=O)Nc2ccccc2)nn1 ZINC000594565165 401113928 /nfs/dbraw/zinc/11/39/28/401113928.db2.gz QVYOLCCOEZPHST-UHFFFAOYSA-N 0 0 316.430 3.116 10 30 DGEERN C=C(C)[C@H](CC(=O)NCc1ccc(C(C)(C)C)[nH]c1=O)OCC ZINC000633815581 401120457 /nfs/dbraw/zinc/12/04/57/401120457.db2.gz LRRDITHZDQJCKY-AWEZNQCLSA-N 0 0 320.433 3.072 10 30 DGEERN C=CCCn1cc(C(=O)N2CCCC[C@H]2CCCCC)nn1 ZINC000620566041 401127867 /nfs/dbraw/zinc/12/78/67/401127867.db2.gz CUAPXUCQYMXZBQ-OAHLLOKOSA-N 0 0 304.438 3.429 10 30 DGEERN C=CCCn1cc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)nn1 ZINC000633848611 401132770 /nfs/dbraw/zinc/13/27/70/401132770.db2.gz WHQPVGLJXXLBKA-AWEZNQCLSA-N 0 0 310.401 3.300 10 30 DGEERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(O)cc(C#N)c1 ZINC000615490153 401090931 /nfs/dbraw/zinc/09/09/31/401090931.db2.gz GTCDFWUTHTUXPJ-UHFFFAOYSA-N 0 0 319.364 3.407 10 30 DGEERN C=CCOCCCC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000633934408 401149422 /nfs/dbraw/zinc/14/94/22/401149422.db2.gz ISCGNTUWEFARBY-UHFFFAOYSA-N 0 0 321.392 3.178 10 30 DGEERN C=C(C)CCNC(=O)c1c(OC)cccc1OC(F)(F)F ZINC000615825647 401158276 /nfs/dbraw/zinc/15/82/76/401158276.db2.gz GRQFYNICHVDMEJ-UHFFFAOYSA-N 0 0 303.280 3.290 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cn(CC(F)(F)F)nc1C ZINC000633964921 401167698 /nfs/dbraw/zinc/16/76/98/401167698.db2.gz GWTVOGQCVQYSQK-UHFFFAOYSA-N 0 0 317.355 3.476 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000633964129 401167943 /nfs/dbraw/zinc/16/79/43/401167943.db2.gz BNYRKZVMTOTYBJ-UHFFFAOYSA-N 0 0 302.418 3.111 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000594788967 401171398 /nfs/dbraw/zinc/17/13/98/401171398.db2.gz HEFCDIYQXPYSCS-LSDHHAIUSA-N 0 0 310.463 3.125 10 30 DGEERN C[C@@H](C#N)C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889275 401173127 /nfs/dbraw/zinc/17/31/27/401173127.db2.gz YFCVPWSJPOSNRY-ZETCQYMHSA-N 0 0 313.582 3.151 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621330476 543483070 /nfs/dbraw/zinc/48/30/70/543483070.db2.gz OBYWKSFUYFAHSQ-HOCLYGCPSA-N 0 0 313.376 3.210 10 30 DGEERN C=CCOCCCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621337769 543483597 /nfs/dbraw/zinc/48/35/97/543483597.db2.gz ISZRPFVUZDRHBH-UHFFFAOYSA-N 0 0 301.365 3.211 10 30 DGEERN C=CC[C@H]1CCN(Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000625704597 401188423 /nfs/dbraw/zinc/18/84/23/401188423.db2.gz VEHGDGHFAUIYAX-ZDUSSCGKSA-N 0 0 317.364 3.186 10 30 DGEERN C=CCC1(CNC(=O)c2ccccc2Cn2ccnn2)CCCC1 ZINC000615976629 401190887 /nfs/dbraw/zinc/19/08/87/401190887.db2.gz PLAOLPJHKBHEKK-UHFFFAOYSA-N 0 0 324.428 3.193 10 30 DGEERN C=CCNC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000608142703 401197540 /nfs/dbraw/zinc/19/75/40/401197540.db2.gz NTDJHIJSSMNHOV-UHFFFAOYSA-N 0 0 302.374 3.056 10 30 DGEERN C=CCCOCC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000608150202 401198638 /nfs/dbraw/zinc/19/86/38/401198638.db2.gz LVBXYMOEDBLRQF-NSHDSACASA-N 0 0 316.184 3.136 10 30 DGEERN 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323.481 3.117 10 30 DGEERN C=CC(C)(C)CCNC(=O)CCCn1c2ccccc2oc1=O ZINC000628317871 401575773 /nfs/dbraw/zinc/57/57/73/401575773.db2.gz CYCLZWMIWXSURH-UHFFFAOYSA-N 0 0 316.401 3.093 10 30 DGEERN C=CCCOCCNC(=O)Cc1coc2c1ccc(OC)c2C ZINC000632128888 401581536 /nfs/dbraw/zinc/58/15/36/401581536.db2.gz BEGGUJBAUZOIGX-UHFFFAOYSA-N 0 0 317.385 3.001 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)c1nc([C@H]2Cc3ccc(F)cc32)no1 ZINC000632221390 401592094 /nfs/dbraw/zinc/59/20/94/401592094.db2.gz NUMSSTROHGXEKH-LSDHHAIUSA-N 0 0 315.348 3.040 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cn(C)nc2-c2ccccc2)C1 ZINC000623875863 401592499 /nfs/dbraw/zinc/59/24/99/401592499.db2.gz ZUQPNRFAWARIBD-HNNXBMFYSA-N 0 0 324.428 3.195 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)C1 ZINC000623882422 401593489 /nfs/dbraw/zinc/59/34/89/401593489.db2.gz VEAQOYMVNKKTKW-LBPRGKRZSA-N 0 0 320.820 3.383 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000623913306 401597873 /nfs/dbraw/zinc/59/78/73/401597873.db2.gz 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ZINC000633361553 401676486 /nfs/dbraw/zinc/67/64/86/401676486.db2.gz VFCODILXXLXLAM-UHFFFAOYSA-N 0 0 300.324 3.460 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000624638319 401677370 /nfs/dbraw/zinc/67/73/70/401677370.db2.gz RBXRICCXWSDXEU-UONOGXRCSA-N 0 0 318.417 3.372 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCCOC1CCOCC1 ZINC000629361114 401679814 /nfs/dbraw/zinc/67/98/14/401679814.db2.gz BSMVWUHZHXVSDY-UHFFFAOYSA-N 0 0 306.402 3.307 10 30 DGEERN Cc1[nH]nc2ncc(NC(=O)C[C@H]3CCCCC(=O)N3)cc12 ZINC000328675582 533678082 /nfs/dbraw/zinc/67/80/82/533678082.db2.gz QXAILSBLHGNEPP-SNVBAGLBSA-N 0 0 301.350 3.144 10 30 DGEERN CC[C@@]1(C)CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000173498006 164697227 /nfs/dbraw/zinc/69/72/27/164697227.db2.gz YFMGBDHHGVVTMM-KSSFIOAISA-N 0 0 300.402 3.364 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000180816866 164895784 /nfs/dbraw/zinc/89/57/84/164895784.db2.gz NRPSNCOGVLQMRC-UHFFFAOYSA-N 0 0 321.424 3.393 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000185388636 165002788 /nfs/dbraw/zinc/00/27/88/165002788.db2.gz FLQOQMASXMMGCC-KBOKABMXSA-N 0 0 320.348 3.026 10 30 DGEERN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000185485142 165005798 /nfs/dbraw/zinc/00/57/98/165005798.db2.gz SOXNGXONLVTMRK-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN CCOc1ccc(CNc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000185846232 165018653 /nfs/dbraw/zinc/01/86/53/165018653.db2.gz IXLCXWWJTJHWRZ-UHFFFAOYSA-N 0 0 319.368 3.150 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc(C#N)c1 ZINC000185998829 165024651 /nfs/dbraw/zinc/02/46/51/165024651.db2.gz YEZLALUUVOHRET-ZDUSSCGKSA-N 0 0 314.352 3.184 10 30 DGEERN Cc1ncsc1CN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186791349 165058802 /nfs/dbraw/zinc/05/88/02/165058802.db2.gz ZBRSRZNFEBJXNI-UHFFFAOYSA-N 0 0 311.410 3.013 10 30 DGEERN N#Cc1ccc(CNC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187389299 165088795 /nfs/dbraw/zinc/08/87/95/165088795.db2.gz APQUFDSNRXBXBU-UHFFFAOYSA-N 0 0 317.392 3.315 10 30 DGEERN Cc1cnc([C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)s1 ZINC000188158231 165115170 /nfs/dbraw/zinc/11/51/70/165115170.db2.gz VLXAMTFKVSOYGR-LBPRGKRZSA-N 0 0 311.410 3.232 10 30 DGEERN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189663128 165172376 /nfs/dbraw/zinc/17/23/76/165172376.db2.gz YNVARRGMZIDYFE-AWEZNQCLSA-N 0 0 321.428 3.042 10 30 DGEERN COc1ccccc1N1CCC(Nc2ccc(C)c(C#N)n2)CC1 ZINC000189767762 165176517 /nfs/dbraw/zinc/17/65/17/165176517.db2.gz ZDFJGTSTGYGXDV-UHFFFAOYSA-N 0 0 322.412 3.351 10 30 DGEERN N#Cc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1C#N ZINC000189868530 165179841 /nfs/dbraw/zinc/17/98/41/165179841.db2.gz HIWXCNSHTMKVDJ-UHFFFAOYSA-N 0 0 312.332 3.159 10 30 DGEERN CC(C)C[C@@]1(C)CC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000190090320 165189754 /nfs/dbraw/zinc/18/97/54/165189754.db2.gz MXVSXVLJBVTOFZ-KRWDZBQOSA-N 0 0 302.349 3.009 10 30 DGEERN CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)c(F)c1 ZINC000190340796 165199321 /nfs/dbraw/zinc/19/93/21/165199321.db2.gz HAIIVGWWZBTEQU-UHFFFAOYSA-N 0 0 317.751 3.322 10 30 DGEERN CNC(=O)c1cccc(CSCc2ccc(C#N)c(F)c2)c1 ZINC000190945873 165222172 /nfs/dbraw/zinc/22/21/72/165222172.db2.gz DKYZJKMXCHIUFH-UHFFFAOYSA-N 0 0 314.385 3.490 10 30 DGEERN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000191225169 165237779 /nfs/dbraw/zinc/23/77/79/165237779.db2.gz WROJOAILEBGAPB-UHFFFAOYSA-N 0 0 324.428 3.130 10 30 DGEERN CCc1cc2c(ncn(Cc3ccc(C#N)c(F)c3)c2=O)s1 ZINC000191733539 165266668 /nfs/dbraw/zinc/26/66/68/165266668.db2.gz YJBYZIBJQRIRKI-UHFFFAOYSA-N 0 0 313.357 3.079 10 30 DGEERN CCCOc1nc(C)ccc1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000191904533 165275496 /nfs/dbraw/zinc/27/54/96/165275496.db2.gz BBTVHFPWQRYDDS-UHFFFAOYSA-N 0 0 320.352 3.174 10 30 DGEERN N#Cc1cc(F)c(CNc2nnc(C(F)F)s2)c(F)c1 ZINC000192750780 165303525 /nfs/dbraw/zinc/30/35/25/165303525.db2.gz RSOWIPKRSZULIA-UHFFFAOYSA-N 0 0 302.256 3.238 10 30 DGEERN CC(C)CCOc1ccccc1CNC(=O)c1ccnc(C#N)c1 ZINC000193062311 165316021 /nfs/dbraw/zinc/31/60/21/165316021.db2.gz UDTYMJCEWJMNHN-UHFFFAOYSA-N 0 0 323.396 3.308 10 30 DGEERN Cc1ccc(F)c(-c2cc(NC(=O)c3ccnc(C#N)c3)n[nH]2)c1 ZINC000193045492 165316479 /nfs/dbraw/zinc/31/64/79/165316479.db2.gz JEGOPAVBSBOEHC-UHFFFAOYSA-N 0 0 321.315 3.043 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(Oc3ccncc3)c2)ccn1 ZINC000193239414 165320962 /nfs/dbraw/zinc/32/09/62/165320962.db2.gz RDVQKKHKSRRYTG-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN CC[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)cc1F ZINC000193313814 165322355 /nfs/dbraw/zinc/32/23/55/165322355.db2.gz VMOLGDAYTUIFJQ-OAHLLOKOSA-N 0 0 301.296 3.113 10 30 DGEERN CC[C@@H](NC(=O)c1ccnc(C#N)c1)c1cc(F)ccc1F ZINC000193330249 165322764 /nfs/dbraw/zinc/32/27/64/165322764.db2.gz BSHUNXXWNREIPD-OAHLLOKOSA-N 0 0 301.296 3.113 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ccn1 ZINC000193473006 165326775 /nfs/dbraw/zinc/32/67/75/165326775.db2.gz NDGQTDMUZNPHRP-UHFFFAOYSA-N 0 0 314.348 3.195 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(F)cc2Br)ccn1 ZINC000193481616 165327460 /nfs/dbraw/zinc/32/74/60/165327460.db2.gz MTXOWJJNFFWLRX-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1cc(C(=O)N(CC(F)(F)F)c2ccccc2)ccn1 ZINC000193548013 165327563 /nfs/dbraw/zinc/32/75/63/165327563.db2.gz CZSBFQFJRVMZDN-UHFFFAOYSA-N 0 0 305.259 3.162 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc3cccc(Cl)c3n2)ccn1 ZINC000193784744 165331234 /nfs/dbraw/zinc/33/12/34/165331234.db2.gz OYKZYMKTJXOCNP-UHFFFAOYSA-N 0 0 308.728 3.407 10 30 DGEERN N#Cc1cc(C(=O)N(CC(F)F)c2ccc(F)cc2)ccn1 ZINC000193754514 165331387 /nfs/dbraw/zinc/33/13/87/165331387.db2.gz OQXFBPAJJKCAGF-UHFFFAOYSA-N 0 0 305.259 3.004 10 30 DGEERN COc1cc(NC(=O)c2ccnc(C#N)c2)ccc1OC(C)C ZINC000193836660 165333628 /nfs/dbraw/zinc/33/36/28/165333628.db2.gz UBYSLJMBAXPYNJ-UHFFFAOYSA-N 0 0 311.341 3.001 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)ccn1 ZINC000195324298 165364870 /nfs/dbraw/zinc/36/48/70/165364870.db2.gz FGRGZKAQBGZFJD-UHFFFAOYSA-N 0 0 309.373 3.051 10 30 DGEERN N#Cc1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511237 165372344 /nfs/dbraw/zinc/37/23/44/165372344.db2.gz BXMYVTZMUMGKIB-KRWDZBQOSA-N 0 0 321.428 3.213 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc(C#N)cc1 ZINC000171710385 432162611 /nfs/dbraw/zinc/16/26/11/432162611.db2.gz BZFUNDWCSUAOGU-KRWDZBQOSA-N 0 0 315.417 3.049 10 30 DGEERN CCc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1CC ZINC000190677478 432182298 /nfs/dbraw/zinc/18/22/98/432182298.db2.gz ARBNTCIQWLEQAE-UHFFFAOYSA-N 0 0 321.380 3.260 10 30 DGEERN Cc1cnn(CCNc2c(C#N)cnc3c(F)cc(F)cc32)c1 ZINC000171819673 432175987 /nfs/dbraw/zinc/17/59/87/432175987.db2.gz TTWOXYGGFUIZHZ-UHFFFAOYSA-N 0 0 313.311 3.002 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000150775647 432189682 /nfs/dbraw/zinc/18/96/82/432189682.db2.gz LMTIWTAYOCPYOI-UHFFFAOYSA-N 0 0 301.434 3.377 10 30 DGEERN C=CCC1(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CCC1 ZINC000190817836 432192236 /nfs/dbraw/zinc/19/22/36/432192236.db2.gz OGSLASOXVFQBKI-OAHLLOKOSA-N 0 0 320.477 3.132 10 30 DGEERN C=CCOCCCC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190705580 432182756 /nfs/dbraw/zinc/18/27/56/432182756.db2.gz QCLPTYUZKPMOPR-GFCCVEGCSA-N 0 0 307.356 3.406 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000150798520 432193026 /nfs/dbraw/zinc/19/30/26/432193026.db2.gz DTVOTSVOFBMXJO-QLFBSQMISA-N 0 0 300.402 3.363 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000130840828 196115682 /nfs/dbraw/zinc/11/56/82/196115682.db2.gz ZMIVHTHIYSRGRB-MRXNPFEDSA-N 0 0 323.400 3.186 10 30 DGEERN Clc1cccc(C#CCN2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000182734624 432222442 /nfs/dbraw/zinc/22/24/42/432222442.db2.gz HYWHNURNENSCPZ-OAHLLOKOSA-N 0 0 300.793 3.037 10 30 DGEERN N#Cc1cnc(Sc2nnc(NC3CCCCC3)s2)cn1 ZINC000133069381 196309399 /nfs/dbraw/zinc/30/93/99/196309399.db2.gz YNXBDUDINOPJAL-UHFFFAOYSA-N 0 0 318.431 3.096 10 30 DGEERN CCCCCNC(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000135338402 196465713 /nfs/dbraw/zinc/46/57/13/196465713.db2.gz KNMWPPSBDAARAE-UHFFFAOYSA-N 0 0 306.431 3.106 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290681521 335074545 /nfs/dbraw/zinc/07/45/45/335074545.db2.gz PFMNSBOBHCTHIA-HNAYVOBHSA-N 0 0 319.420 3.182 10 30 DGEERN C[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1cccc(Cl)c1 ZINC000118893871 226949196 /nfs/dbraw/zinc/94/91/96/226949196.db2.gz SDLWIBPQGIYBMG-NSHDSACASA-N 0 0 317.780 3.333 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1(C#N)CCCC1 ZINC000153370129 227084567 /nfs/dbraw/zinc/08/45/67/227084567.db2.gz FIUCETPXVXUUJW-GFCCVEGCSA-N 0 0 302.422 3.208 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176459042 228313556 /nfs/dbraw/zinc/31/35/56/228313556.db2.gz RBCIEXGOYNJGPT-UHFFFAOYSA-N 0 0 314.395 3.334 10 30 DGEERN N#CCCCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000177168593 228326376 /nfs/dbraw/zinc/32/63/76/228326376.db2.gz RNDQFASJCITASI-UHFFFAOYSA-N 0 0 310.357 3.038 10 30 DGEERN COC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(C)o1 ZINC000181530837 228362692 /nfs/dbraw/zinc/36/26/92/228362692.db2.gz PMLQKXUHNCIFEH-MRXNPFEDSA-N 0 0 324.380 3.261 10 30 DGEERN Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)CCCCC#N)C2)c1 ZINC000183253636 228372313 /nfs/dbraw/zinc/37/23/13/228372313.db2.gz ZLUKUSUYLGPSTI-INIZCTEOSA-N 0 0 320.458 3.116 10 30 DGEERN C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000183541570 228373690 /nfs/dbraw/zinc/37/36/90/228373690.db2.gz NYXWSWLWRKHLGN-GFCCVEGCSA-N 0 0 311.410 3.232 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000248590813 228629320 /nfs/dbraw/zinc/62/93/20/228629320.db2.gz RRYSARMYNBXREU-VFVRVIDISA-N 0 0 322.364 3.481 10 30 DGEERN CCc1noc(C)c1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328824667 228916200 /nfs/dbraw/zinc/91/62/00/228916200.db2.gz SDOYUFPPPYMRTH-GOEBONIOSA-N 0 0 315.373 3.165 10 30 DGEERN O=C(C[C@H]1CCCCNC1=O)NCCc1ccc2c(c1)CCO2 ZINC000329301071 228937482 /nfs/dbraw/zinc/93/74/82/228937482.db2.gz VYLJXCRKZCMDBH-OAHLLOKOSA-N 0 0 316.401 3.267 10 30 DGEERN CCn1nc(C(=O)NCCC2CCCC2)c(=O)c2ccccc21 ZINC000329564435 228949438 /nfs/dbraw/zinc/94/94/38/228949438.db2.gz NWGGPRKZQNVBIY-UHFFFAOYSA-N 0 0 313.401 3.301 10 30 DGEERN O=C(NCC[C@H]1CCCCO1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330053167 228974584 /nfs/dbraw/zinc/97/45/84/228974584.db2.gz QBEHPKASSNBSJT-OWCLPIDISA-N 0 0 304.390 3.075 10 30 DGEERN C[C@@H](NC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C1CC1 ZINC000358096869 229356648 /nfs/dbraw/zinc/35/66/48/229356648.db2.gz MLMSFUSHVNMECE-KCJUWKMLSA-N 0 0 319.817 3.472 10 30 DGEERN COCC1(CNC(=O)NCC2CCC(C#N)CC2)CCCCC1 ZINC000358146593 229357908 /nfs/dbraw/zinc/35/79/08/229357908.db2.gz VJUPYSYYPWIGAI-UHFFFAOYSA-N 0 0 321.465 3.212 10 30 DGEERN CO[C@H](C)[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000359531426 229379201 /nfs/dbraw/zinc/37/92/01/229379201.db2.gz AQRACTGBBWPLJO-ZIAGYGMSSA-N 0 0 313.401 3.098 10 30 DGEERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ncccc1C#N ZINC000302418201 230238522 /nfs/dbraw/zinc/23/85/22/230238522.db2.gz IJJFVEMDNWNLHO-OCCSQVGLSA-N 0 0 316.405 3.011 10 30 DGEERN Cc1ccc(NC[C@H](c2c(F)cccc2F)N(C)C)nc1C#N ZINC000302666007 230339700 /nfs/dbraw/zinc/33/97/00/230339700.db2.gz QBKJRHVFKJOHSJ-OAHLLOKOSA-N 0 0 316.355 3.255 10 30 DGEERN C[C@@H](NC(=O)c1cccc(F)c1C#N)c1ccc(F)c(F)c1 ZINC000186189117 263651240 /nfs/dbraw/zinc/65/12/40/263651240.db2.gz SORRVMGMGGRODH-SECBINFHSA-N 0 0 304.271 3.467 10 30 DGEERN COCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000193055022 263788445 /nfs/dbraw/zinc/78/84/45/263788445.db2.gz RGDRTPMESYBXSZ-UHFFFAOYSA-N 0 0 310.353 3.102 10 30 DGEERN N#Cc1ccncc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000521394206 269977382 /nfs/dbraw/zinc/97/73/82/269977382.db2.gz OLIAHGJNCAKGBJ-CYBMUJFWSA-N 0 0 323.318 3.148 10 30 DGEERN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000358573113 270004005 /nfs/dbraw/zinc/00/40/05/270004005.db2.gz QSBKSUWVGLVJGY-QFYYESIMSA-N 0 0 320.314 3.360 10 30 DGEERN COc1ccc(Br)cc1NCc1nc(C#N)cs1 ZINC000352836689 265188866 /nfs/dbraw/zinc/18/88/66/265188866.db2.gz WOBPEITWLRKRQV-UHFFFAOYSA-N 0 0 324.203 3.398 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000182801996 432230409 /nfs/dbraw/zinc/23/04/09/432230409.db2.gz IAAGMEYQOSISQT-ONGXEEELSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182811227 432231953 /nfs/dbraw/zinc/23/19/53/432231953.db2.gz FQJKFLWKBHWCST-ZWNOBZJWSA-N 0 0 316.323 3.003 10 30 DGEERN COC(=O)C[C@@H]1CN(Cc2ccc(C#N)cc2)c2ccccc21 ZINC000371750195 266629548 /nfs/dbraw/zinc/62/95/48/266629548.db2.gz ARRBNBVAPLRBKK-MRXNPFEDSA-N 0 0 306.365 3.225 10 30 DGEERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Cc1cccc(C#N)c1 ZINC000527053696 266979928 /nfs/dbraw/zinc/97/99/28/266979928.db2.gz FLQISIQNIVNSBY-CYBMUJFWSA-N 0 0 310.319 3.290 10 30 DGEERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2sccc2C#N)C1 ZINC000374159654 267031935 /nfs/dbraw/zinc/03/19/35/267031935.db2.gz LNESGMNTYULVFS-BEAPCOKYSA-N 0 0 318.442 3.021 10 30 DGEERN CCOc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1OC ZINC000530907606 267170740 /nfs/dbraw/zinc/17/07/40/267170740.db2.gz OTCBPMVILBGMMZ-UHFFFAOYSA-N 0 0 310.353 3.147 10 30 DGEERN CCS[C@@H]1CC[C@@H](N(C)C(=O)Cc2cccc(C#N)c2)C1 ZINC000531152878 267181022 /nfs/dbraw/zinc/18/10/22/267181022.db2.gz OOOKMYLIEMGFSV-HZPDHXFCSA-N 0 0 302.443 3.233 10 30 DGEERN CCS[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531153775 267181261 /nfs/dbraw/zinc/18/12/61/267181261.db2.gz XOPXUOKJQHIKJN-HZPDHXFCSA-N 0 0 302.443 3.281 10 30 DGEERN CCS[C@@H]1CC[C@H](N(C)C(=O)Cc2cccc(C#N)c2)C1 ZINC000531152881 267181434 /nfs/dbraw/zinc/18/14/34/267181434.db2.gz OOOKMYLIEMGFSV-JKSUJKDBSA-N 0 0 302.443 3.233 10 30 DGEERN C[C@H](NCc1nncn1-c1ccccc1)c1ccc(C#N)cc1F ZINC000358576606 267185086 /nfs/dbraw/zinc/18/50/86/267185086.db2.gz UMZIBZCFCZDUKW-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O ZINC000272366002 267206979 /nfs/dbraw/zinc/20/69/79/267206979.db2.gz ZHANKPRONCZEQO-ZCPGHIKRSA-N 0 0 323.396 3.215 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(c3ccc(N(C)C)cc3)CC2)n1 ZINC000377359256 267313833 /nfs/dbraw/zinc/31/38/33/267313833.db2.gz KKAPASISWZTNQE-UHFFFAOYSA-N 0 0 321.428 3.107 10 30 DGEERN Cc1cc(C#N)nc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000367718687 267316057 /nfs/dbraw/zinc/31/60/57/267316057.db2.gz ZCZRTXMSLACXEJ-UHFFFAOYSA-N 0 0 323.787 3.354 10 30 DGEERN COc1ccc2nc(NC(=O)Cc3cccc(C#N)c3)sc2c1 ZINC000531385983 267651036 /nfs/dbraw/zinc/65/10/36/267651036.db2.gz YBRAOFOUAPUQNK-UHFFFAOYSA-N 0 0 323.377 3.358 10 30 DGEERN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)Sc1ccccc1 ZINC000530674941 267696690 /nfs/dbraw/zinc/69/66/90/267696690.db2.gz IFFAJEIIYYGBHT-AWEZNQCLSA-N 0 0 310.422 3.398 10 30 DGEERN Cc1onc(-c2ccccc2C)c1C(=O)Nc1cc(C#N)ccn1 ZINC000361839872 267742309 /nfs/dbraw/zinc/74/23/09/267742309.db2.gz MVYXLEUPVBOYCQ-UHFFFAOYSA-N 0 0 318.336 3.477 10 30 DGEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)c1c(F)cccc1F ZINC000531147647 267842182 /nfs/dbraw/zinc/84/21/82/267842182.db2.gz POOLRMKPHUAULS-NSHDSACASA-N 0 0 300.308 3.256 10 30 DGEERN N#Cc1ccc(NCC[C@H](O)C(F)(F)F)c(Br)c1 ZINC000341396107 268154675 /nfs/dbraw/zinc/15/46/75/268154675.db2.gz OOIYJAKEPJNJKL-JTQLQIEISA-N 0 0 323.112 3.046 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000530910963 268272162 /nfs/dbraw/zinc/27/21/62/268272162.db2.gz HOCUSDLTSUNAQZ-UHFFFAOYSA-N 0 0 318.376 3.122 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC000531148830 268276071 /nfs/dbraw/zinc/27/60/71/268276071.db2.gz TYADADCSWREVHQ-GOSISDBHSA-N 0 0 304.393 3.337 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000530676415 268276241 /nfs/dbraw/zinc/27/62/41/268276241.db2.gz KJZXZQKGWBFRLM-UHFFFAOYSA-N 0 0 302.736 3.210 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000370023753 268302770 /nfs/dbraw/zinc/30/27/70/268302770.db2.gz ZTJFVINICNMVRO-MQMHXKEQSA-N 0 0 300.358 3.435 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@H]1COc2c1cccc2Cl ZINC000374534877 268303068 /nfs/dbraw/zinc/30/30/68/268303068.db2.gz OMYSLKNFOGBBLV-NSHDSACASA-N 0 0 304.758 3.137 10 30 DGEERN N#Cc1nc(N2CCOc3cccc(F)c3C2)ccc1Cl ZINC000373857773 268323500 /nfs/dbraw/zinc/32/35/00/268323500.db2.gz CYXMYCIARJUKNF-UHFFFAOYSA-N 0 0 303.724 3.145 10 30 DGEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151585081 432258204 /nfs/dbraw/zinc/25/82/04/432258204.db2.gz ORSIBQJFABDSDC-HZPDHXFCSA-N 0 0 320.348 3.072 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453466528 275418663 /nfs/dbraw/zinc/41/86/63/275418663.db2.gz OHOLDRZKQUVCNT-KEYYUXOJSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000278204489 275420064 /nfs/dbraw/zinc/42/00/64/275420064.db2.gz GBXSMPHSNUVODB-VNQPRFMTSA-N 0 0 305.805 3.425 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCOCC1 ZINC000424888563 275742412 /nfs/dbraw/zinc/74/24/12/275742412.db2.gz IGEYPEPXOPRPNJ-SFHVURJKSA-N 0 0 324.424 3.425 10 30 DGEERN C=CCCCCCNC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000521639452 429559907 /nfs/dbraw/zinc/55/99/07/429559907.db2.gz GKFUSMUJBCDUCH-UHFFFAOYSA-N 0 0 308.329 3.425 10 30 DGEERN CC(C)C(=O)N1CC/C(=N\O)c2cc(Br)ccc21 ZINC000034098460 275868649 /nfs/dbraw/zinc/86/86/49/275868649.db2.gz NQKGMBOMDGBMRP-RVDMUPIBSA-N 0 0 311.179 3.020 10 30 DGEERN CC1(C)CCCN(C(=O)c2n[nH]c3ccc(Cl)cc32)[C@@H]1C#N ZINC000288569258 276104960 /nfs/dbraw/zinc/10/49/60/276104960.db2.gz WJCFTZLQUKSDEY-CYBMUJFWSA-N 0 0 316.792 3.371 10 30 DGEERN C=CCNc1nnc(SCc2nc(C3CCC3)no2)s1 ZINC000630998395 429972519 /nfs/dbraw/zinc/97/25/19/429972519.db2.gz RHNHCINXZFVREE-UHFFFAOYSA-N 0 0 309.420 3.079 10 30 DGEERN C=CC(C)(C)CCNc1ccc2nnc(-c3ccncc3)n2n1 ZINC000631384789 429984613 /nfs/dbraw/zinc/98/46/13/429984613.db2.gz WOMTWSGEIGLCJS-UHFFFAOYSA-N 0 0 308.389 3.201 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(OCCC(C)C)nn2)C1 ZINC000626613397 429951412 /nfs/dbraw/zinc/95/14/12/429951412.db2.gz CYQIBFMAYOHZDA-CQSZACIVSA-N 0 0 318.421 3.331 10 30 DGEERN C#CCCCCN1C(=O)[C@@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000370264427 276775676 /nfs/dbraw/zinc/77/56/76/276775676.db2.gz ATNIBBVVENGVGT-HOTGVXAUSA-N 0 0 302.418 3.023 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H]1CCCN(C)c2ccccc21)OCC ZINC000456605540 276867834 /nfs/dbraw/zinc/86/78/34/276867834.db2.gz KPVKGTBMMDNCME-FUHWJXTLSA-N 0 0 316.445 3.445 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H]1CCCN(C)c2ccccc21)OCC ZINC000456605538 276872888 /nfs/dbraw/zinc/87/28/88/276872888.db2.gz KPVKGTBMMDNCME-AEFFLSMTSA-N 0 0 316.445 3.445 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000297560883 276883743 /nfs/dbraw/zinc/88/37/43/276883743.db2.gz CSCWTMCEKRKQJG-KRWDZBQOSA-N 0 0 316.445 3.267 10 30 DGEERN C=CC[C@@H]1N(C(=O)COc2ccc(O)cc2)CCCC1(C)C ZINC000444635554 276908369 /nfs/dbraw/zinc/90/83/69/276908369.db2.gz LCHQXLXVJWKFIG-INIZCTEOSA-N 0 0 303.402 3.364 10 30 DGEERN C=CCn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453434367 276912454 /nfs/dbraw/zinc/91/24/54/276912454.db2.gz FLUJGIGTQVOMOG-YJBOKZPZSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453448871 276912468 /nfs/dbraw/zinc/91/24/68/276912468.db2.gz ZJYJBRRWJGFTKI-KSSFIOAISA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453470911 277785623 /nfs/dbraw/zinc/78/56/23/277785623.db2.gz RSLXQIOHJKRXCL-VBQJREDUSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C#N)c(Br)cn1 ZINC000603364853 430547687 /nfs/dbraw/zinc/54/76/87/430547687.db2.gz AKQNYZBDQHLVIR-HZMBPMFUSA-N 0 0 322.206 3.109 10 30 DGEERN C=CCc1cc(C(=O)Nc2cc(CC)on2)cc(OC)c1OC ZINC000606889334 430555707 /nfs/dbraw/zinc/55/57/07/430555707.db2.gz QHFDYOZFDAGXGL-UHFFFAOYSA-N 0 0 316.357 3.235 10 30 DGEERN C=CCC1(C(=O)NCc2cn(C)nc2C(F)(F)F)CCCC1 ZINC000450190905 277825455 /nfs/dbraw/zinc/82/54/55/277825455.db2.gz DJIHNDHMHSSUJX-UHFFFAOYSA-N 0 0 315.339 3.192 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCOCC1 ZINC000424746453 277825633 /nfs/dbraw/zinc/82/56/33/277825633.db2.gz XEDFLTWSPAJMCR-MRXNPFEDSA-N 0 0 321.461 3.357 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000456603791 277832471 /nfs/dbraw/zinc/83/24/71/277832471.db2.gz WZWAFHWNEWEMOC-GOEBONIOSA-N 0 0 302.418 3.055 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000456132781 277916945 /nfs/dbraw/zinc/91/69/45/277916945.db2.gz SCDYAIZOJJDQPZ-OUCADQQQSA-N 0 0 307.356 3.405 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000456611543 277919046 /nfs/dbraw/zinc/91/90/46/277919046.db2.gz RAVFDLZPHLSTQX-QFBILLFUSA-N 0 0 316.445 3.303 10 30 DGEERN COc1ccc2c(c1)N(C(=O)c1ccc(C#N)cc1C)C[C@@H](C)O2 ZINC000125902909 277969263 /nfs/dbraw/zinc/96/92/63/277969263.db2.gz LXOUWXGTJGGODS-CYBMUJFWSA-N 0 0 322.364 3.303 10 30 DGEERN C[C@@H]1c2cccn2CCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000329571325 278110694 /nfs/dbraw/zinc/11/06/94/278110694.db2.gz IXTVHICKEARKDW-LLVKDONJSA-N 0 0 316.430 3.098 10 30 DGEERN C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000279625743 278296876 /nfs/dbraw/zinc/29/68/76/278296876.db2.gz IDPSBTYGWNETOR-YOEHRIQHSA-N 0 0 312.413 3.007 10 30 DGEERN Cc1nc2c(cccc2C#N)n1-c1ccc(C(=O)NC2CC2)s1 ZINC000068247513 431119746 /nfs/dbraw/zinc/11/97/46/431119746.db2.gz XRXYHTFKWSMTFI-UHFFFAOYSA-N 0 0 322.393 3.159 10 30 in-vitro DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C)n1 ZINC000068739103 431137510 /nfs/dbraw/zinc/13/75/10/431137510.db2.gz WZYBCFDQGUWSKN-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN N#C[C@@](Cc1ccccc1)(c1ccccc1)c1cc[n+]([O-])cc1 ZINC000000162188 431137682 /nfs/dbraw/zinc/13/76/82/431137682.db2.gz ORHDREFCKKHOGM-FQEVSTJZSA-N 0 0 300.361 3.372 10 30 DGEERN COc1ccc(C(=O)/C(=C\N(C)C)c2ccc(OC)cc2)cc1 ZINC000000169277 431138497 /nfs/dbraw/zinc/13/84/97/431138497.db2.gz ITDZPUDNXYVUGW-AQTBWJFISA-N 0 0 311.381 3.489 10 30 DGEERN C[C@H](NC(=O)C1(C#N)CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000109139378 431172058 /nfs/dbraw/zinc/17/20/58/431172058.db2.gz PRNZHNQRJPHRSF-AWEZNQCLSA-N 0 0 314.429 3.482 10 30 DGEERN C=CCn1c(SCC(=O)C2CC2)nnc1-c1ccccc1F ZINC000109197052 431172202 /nfs/dbraw/zinc/17/22/02/431172202.db2.gz WKGSTUGAVMSYPV-UHFFFAOYSA-N 0 0 317.389 3.341 10 30 DGEERN C=CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000110362961 431186404 /nfs/dbraw/zinc/18/64/04/431186404.db2.gz OBCIQDUWACELMB-SUMWQHHRSA-N 0 0 312.413 3.319 10 30 DGEERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108827375 431156107 /nfs/dbraw/zinc/15/61/07/431156107.db2.gz SIMIFQZQPWLRDC-OQPBUACISA-N 0 0 313.184 3.179 10 30 DGEERN N#C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C1CC1 ZINC000108832017 431156224 /nfs/dbraw/zinc/15/62/24/431156224.db2.gz ZOUDHHRSYOEDHY-SFHVURJKSA-N 0 0 320.392 3.075 10 30 DGEERN CCCCOc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1OCC ZINC000108828625 431157535 /nfs/dbraw/zinc/15/75/35/431157535.db2.gz XPALRCLGFWARNQ-HNNXBMFYSA-N 0 0 316.401 3.296 10 30 DGEERN N#C[C@@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000108840004 431157632 /nfs/dbraw/zinc/15/76/32/431157632.db2.gz JGNWRDLEWKQGEG-GOSISDBHSA-N 0 0 322.364 3.276 10 30 DGEERN N#CCc1c(Br)cccc1I ZINC000238065830 279481922 /nfs/dbraw/zinc/48/19/22/279481922.db2.gz QGNGYKWFEZCSEA-UHFFFAOYSA-N 0 0 321.943 3.120 10 30 DGEERN N#Cc1c(F)cccc1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000488677648 279495500 /nfs/dbraw/zinc/49/55/00/279495500.db2.gz PPLRWBFZFFEZCQ-UHFFFAOYSA-N 0 0 315.251 3.425 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(O)c(Cl)c1 ZINC000111667062 431231327 /nfs/dbraw/zinc/23/13/27/431231327.db2.gz IHEXLJHDQLJLBV-SNVBAGLBSA-N 0 0 316.744 3.323 10 30 DGEERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)C2)c1 ZINC000111715134 431235914 /nfs/dbraw/zinc/23/59/14/431235914.db2.gz RUYCPFUFKZCCDN-QGZVFWFLSA-N 0 0 323.400 3.127 10 30 DGEERN CC(C)Oc1ccc(N[C@@H](C)C(=O)N(C)CCC#N)cc1Cl ZINC000112523688 431277995 /nfs/dbraw/zinc/27/79/95/431277995.db2.gz VKMRVAPWYXIQHI-LBPRGKRZSA-N 0 0 323.824 3.300 10 30 DGEERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1(C#N)CCCC1 ZINC000112903658 431314248 /nfs/dbraw/zinc/31/42/48/431314248.db2.gz UQMRMEWUHOSPNW-JTQLQIEISA-N 0 0 310.756 3.199 10 30 DGEERN N#Cc1ccccc1NC(=O)c1cccc2c1SCCC2=O ZINC000006841656 431322548 /nfs/dbraw/zinc/32/25/48/431322548.db2.gz MMTBZRXHDSONKD-UHFFFAOYSA-N 0 0 308.362 3.489 10 30 DGEERN C=CCSCCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073118720 431361701 /nfs/dbraw/zinc/36/17/01/431361701.db2.gz YPYASAAWFDJOCS-UHFFFAOYSA-N 0 0 302.443 3.444 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)c1coc(Br)c1 ZINC000074420256 431420029 /nfs/dbraw/zinc/42/00/29/431420029.db2.gz CXWRPNWEOBZXHU-UHFFFAOYSA-N 0 0 319.158 3.186 10 30 DGEERN N#Cc1cnc(NCC[C@@H]2C(=O)Nc3ccccc32)c(Cl)c1 ZINC000114708585 431406298 /nfs/dbraw/zinc/40/62/98/431406298.db2.gz UCVKUDDPYLVHST-LBPRGKRZSA-N 0 0 312.760 3.145 10 30 DGEERN CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](C)c1cccnc1 ZINC000115223746 431440653 /nfs/dbraw/zinc/44/06/53/431440653.db2.gz RHOHBJNIUAONFH-OAHLLOKOSA-N 0 0 323.396 3.136 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@H](O)C1CCCCC1 ZINC000115516819 431457380 /nfs/dbraw/zinc/45/73/80/431457380.db2.gz BYOUJJZDDSBCEX-LBPRGKRZSA-N 0 0 313.323 3.325 10 30 DGEERN C=CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000116860172 431532027 /nfs/dbraw/zinc/53/20/27/431532027.db2.gz KKGUOXSRSBTZMZ-IUODEOHRSA-N 0 0 322.836 3.175 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000150794590 279926750 /nfs/dbraw/zinc/92/67/50/279926750.db2.gz LQPXUHKLZHHWKU-IRXDYDNUSA-N 0 0 312.413 3.368 10 30 DGEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1c1ccco1 ZINC000116295171 431505376 /nfs/dbraw/zinc/50/53/76/431505376.db2.gz TYOJTQSOYYKJRU-CZUORRHYSA-N 0 0 309.369 3.315 10 30 DGEERN CC(C)[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000117195444 431550977 /nfs/dbraw/zinc/55/09/77/431550977.db2.gz FEFAHOXIKJAZHQ-ZBFHGGJFSA-N 0 0 300.402 3.363 10 30 DGEERN C=CCCCN(C)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000076942301 431565947 /nfs/dbraw/zinc/56/59/47/431565947.db2.gz PYHSYTZMCUZALU-UHFFFAOYSA-N 0 0 300.406 3.103 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C(=O)C=C4CCCC[C@@]43C=O)[C@@H]1CCC2=O ZINC000013737735 431566387 /nfs/dbraw/zinc/56/63/87/431566387.db2.gz LHDMACWWIQYSTK-BHHKEHIISA-N 0 0 300.398 3.266 10 30 DGEERN C[C@]12C[C@H](O)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\O ZINC000245297614 280177457 /nfs/dbraw/zinc/17/74/57/280177457.db2.gz UVOYUJOWNXEANU-KHUZNRSQSA-N 0 0 301.386 3.049 10 30 DGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000117598282 431569523 /nfs/dbraw/zinc/56/95/23/431569523.db2.gz DDQVRKMNJKETRY-UGSOOPFHSA-N 0 0 306.365 3.081 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)c1snnc1C(C)(C)C ZINC000191458003 280203391 /nfs/dbraw/zinc/20/33/91/280203391.db2.gz UWCRJAPDOFIOKM-UHFFFAOYSA-N 0 0 300.387 3.268 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000117776351 431575777 /nfs/dbraw/zinc/57/57/77/431575777.db2.gz OGJQHUZVXLJMJG-OAHLLOKOSA-N 0 0 324.380 3.478 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000077284366 431581405 /nfs/dbraw/zinc/58/14/05/431581405.db2.gz SGPSWPMFPNKNIO-UHFFFAOYSA-N 0 0 310.369 3.281 10 30 DGEERN C[C@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCOCC1 ZINC000119046145 431640637 /nfs/dbraw/zinc/64/06/37/431640637.db2.gz PPBDLPHZPICINZ-LBPRGKRZSA-N 0 0 303.406 3.116 10 30 DGEERN COC(=O)c1cc(F)ccc1COc1ccc(C#N)cc1OC ZINC000078411871 431667305 /nfs/dbraw/zinc/66/73/05/431667305.db2.gz GOYQSKXHVDSUQH-UHFFFAOYSA-N 0 0 315.300 3.072 10 30 DGEERN C=C1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(=O)OCC ZINC000025984482 431669681 /nfs/dbraw/zinc/66/96/81/431669681.db2.gz NSAOPNOGONFPPX-KRWDZBQOSA-N 0 0 322.360 3.223 10 30 DGEERN C[C@H](CC#N)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000120417739 431728367 /nfs/dbraw/zinc/72/83/67/431728367.db2.gz NUMLXOQMQFBZMK-GHMZBOCLSA-N 0 0 309.207 3.361 10 30 DGEERN CC(C)Nc1ccc(F)cc1NC(=O)c1cc(C#N)cn1C ZINC000081838855 431801739 /nfs/dbraw/zinc/80/17/39/431801739.db2.gz NYUGXYXQGFXGDJ-UHFFFAOYSA-N 0 0 300.337 3.108 10 30 DGEERN Cc1ccn(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)c1C#N ZINC000122022768 431811065 /nfs/dbraw/zinc/81/10/65/431811065.db2.gz HQEDDJDTFCKGBD-UHFFFAOYSA-N 0 0 324.380 3.032 10 30 DGEERN C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)c2ccccc2S1 ZINC000080976209 431777989 /nfs/dbraw/zinc/77/79/89/431777989.db2.gz SOYNZMRSAGXPCL-LBPRGKRZSA-N 0 0 311.410 3.428 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCc1cccc2ccccc21 ZINC000081012835 431781551 /nfs/dbraw/zinc/78/15/51/431781551.db2.gz GUHZVTHTYIIWRC-UHFFFAOYSA-N 0 0 303.365 3.022 10 30 DGEERN CN(CCC#N)C(=O)CCOc1cccc(Cl)c1Cl ZINC000037138496 431844156 /nfs/dbraw/zinc/84/41/56/431844156.db2.gz YWVMRIGAMWAMFE-UHFFFAOYSA-N 0 0 301.173 3.134 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H](C(=O)OC)c1ccccc1)c1ccccc1 ZINC000123010538 431851569 /nfs/dbraw/zinc/85/15/69/431851569.db2.gz FDPHJJCEMNNIBD-HNAYVOBHSA-N 0 0 323.392 3.377 10 30 DGEERN Cc1ncc(CO)c(/C=N/[C@H](C)Cc2c[nH]c3ccccc23)c1O ZINC000038174594 431855350 /nfs/dbraw/zinc/85/53/50/431855350.db2.gz KDHYPTSVOBWQJA-HMASQMOLSA-N 0 0 323.396 3.119 10 30 DGEERN CO/N=C/C1=CCCN(C(=O)OC23CC4CC(CC(C4)C2)C3)C1 ZINC000038817617 431856238 /nfs/dbraw/zinc/85/62/38/431856238.db2.gz CUFDDDHXIYYIFC-YBFXNURJSA-N 0 0 318.417 3.356 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000041480275 431859201 /nfs/dbraw/zinc/85/92/01/431859201.db2.gz MXVNDKLQZSJNPN-WQVCFCJDSA-N 0 0 319.364 3.166 10 30 DGEERN C=CCN(Cc1c(C)n[nH]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000122445927 431832880 /nfs/dbraw/zinc/83/28/80/431832880.db2.gz GYIALZVQJJEGLI-UHFFFAOYSA-N 0 0 300.362 3.123 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ncccc2C#N)C1 ZINC000085332960 431837900 /nfs/dbraw/zinc/83/79/00/431837900.db2.gz ZRJNKHFCVBGTQR-CYBMUJFWSA-N 0 0 319.430 3.445 10 30 DGEERN C=CCN(Cc1cn(C)nc1-c1ccncc1)CC(F)(F)F ZINC000092471985 431909785 /nfs/dbraw/zinc/90/97/85/431909785.db2.gz QGQNHPRVRUBJRQ-UHFFFAOYSA-N 0 0 310.323 3.032 10 30 DGEERN C=CCN(Cc1ccc(OCCOC)cc1)CC(F)(F)F ZINC000092471990 431909918 /nfs/dbraw/zinc/90/99/18/431909918.db2.gz SJANWUPZNCUWAW-UHFFFAOYSA-N 0 0 303.324 3.262 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(C)ccc1O ZINC000092646236 431910478 /nfs/dbraw/zinc/91/04/78/431910478.db2.gz NKDBHUMTXCNZID-UHFFFAOYSA-N 0 0 313.357 3.192 10 30 DGEERN COc1cccc([C@@H]2CN(CC(C)(C)CCC#N)CCO2)c1 ZINC000093080610 431913608 /nfs/dbraw/zinc/91/36/08/431913608.db2.gz LKVNNYVKSDDNSE-KRWDZBQOSA-N 0 0 302.418 3.398 10 30 DGEERN CC(C)[C@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000047686031 431914954 /nfs/dbraw/zinc/91/49/54/431914954.db2.gz ICBBSQBEEJBSGY-LBPRGKRZSA-N 0 0 312.335 3.401 10 30 DGEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ncccc1C#N ZINC000095086592 431920992 /nfs/dbraw/zinc/92/09/92/431920992.db2.gz XUBBVWOGRXUEIA-CQSZACIVSA-N 0 0 317.389 3.122 10 30 DGEERN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)S1 ZINC000078480208 288273247 /nfs/dbraw/zinc/27/32/47/288273247.db2.gz KXBSRTFNTHKFIM-DTORHVGOSA-N 0 0 301.337 3.302 10 30 DGEERN CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C#N)cc2C)o1 ZINC000124276624 431889021 /nfs/dbraw/zinc/88/90/21/431889021.db2.gz NZGCHGFQLLPVQL-QGZVFWFLSA-N 0 0 324.380 3.236 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2csnn2)cc1 ZINC000091101593 431903072 /nfs/dbraw/zinc/90/30/72/431903072.db2.gz YLKGARXCCGDTHH-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN CC(C)(C)OC(=O)N1CCCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000097758766 431974611 /nfs/dbraw/zinc/97/46/11/431974611.db2.gz DPIIMUKQPYCKFQ-MRXNPFEDSA-N 0 0 315.417 3.022 10 30 DGEERN N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000127700963 431978251 /nfs/dbraw/zinc/97/82/51/431978251.db2.gz PDPQTQIVYNKLHO-SFHVURJKSA-N 0 0 310.401 3.277 10 30 DGEERN CCCn1cc(/C=C\C(=O)c2cc3ccccc3oc2=O)cn1 ZINC000096854217 431956088 /nfs/dbraw/zinc/95/60/88/431956088.db2.gz XDMPMLRKVZEXLW-FPLPWBNLSA-N 0 0 308.337 3.296 10 30 DGEERN CC(=O)c1ccc(OCCCC(=O)NC2(C#N)CCCC2)cc1 ZINC000096948550 431956474 /nfs/dbraw/zinc/95/64/74/431956474.db2.gz UTJJNYMXENCKPK-UHFFFAOYSA-N 0 0 314.385 3.001 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C)C(=O)OC ZINC000191505672 432270050 /nfs/dbraw/zinc/27/00/50/432270050.db2.gz YPTVMTZIKVPXLZ-CYBMUJFWSA-N 0 0 318.417 3.469 10 30 DGEERN CCC(C)(CC)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151730434 432271962 /nfs/dbraw/zinc/27/19/62/432271962.db2.gz JTFKYECDDLPBPT-UHFFFAOYSA-N 0 0 315.417 3.362 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2ccn(C)c21 ZINC000191587729 432281037 /nfs/dbraw/zinc/28/10/37/432281037.db2.gz ZPYDKMBIGPKRHD-CYBMUJFWSA-N 0 0 319.364 3.456 10 30 DGEERN N#Cc1ccc2ncc(CN3CCc4cc(Cl)ccc4C3)n2c1 ZINC000191611542 432283005 /nfs/dbraw/zinc/28/30/05/432283005.db2.gz GSTUWQOMIZWNOV-UHFFFAOYSA-N 0 0 322.799 3.418 10 30 DGEERN CCCCCCCC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191785000 432301328 /nfs/dbraw/zinc/30/13/28/432301328.db2.gz JRTIDVUNFYINBK-MRXNPFEDSA-N 0 0 307.438 3.163 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000192076903 432330906 /nfs/dbraw/zinc/33/09/06/432330906.db2.gz JNJURGPNRXMGSC-KRWDZBQOSA-N 0 0 306.365 3.302 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000174425241 432347466 /nfs/dbraw/zinc/34/74/66/432347466.db2.gz KRDPTHUCHYCZQG-CQSZACIVSA-N 0 0 324.355 3.270 10 30 DGEERN N#Cc1cc(F)c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(F)c1 ZINC000249471203 432347845 /nfs/dbraw/zinc/34/78/45/432347845.db2.gz SBPJYUBVKHVIJQ-STQMWFEESA-N 0 0 320.364 3.110 10 30 DGEERN COc1cccc(Cl)c1CNC(=O)c1ccc(C#N)cc1C ZINC000191860738 432309225 /nfs/dbraw/zinc/30/92/25/432309225.db2.gz GLBRZSUZKFFLCP-UHFFFAOYSA-N 0 0 314.772 3.459 10 30 DGEERN CCN(C(=O)[C@@H]1CCCO[C@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000191932364 432315145 /nfs/dbraw/zinc/31/51/45/432315145.db2.gz HGDDMVLGDNTTCV-SMDDNHRTSA-N 0 0 306.793 3.380 10 30 DGEERN CC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCCCC1 ZINC000183665951 432315305 /nfs/dbraw/zinc/31/53/05/432315305.db2.gz BPPHEAASCOFKNP-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN C=CC1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)CC1 ZINC000174956425 432383889 /nfs/dbraw/zinc/38/38/89/432383889.db2.gz UXMWYCRLFAWEDZ-UHFFFAOYSA-N 0 0 301.390 3.099 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000153105057 432384228 /nfs/dbraw/zinc/38/42/28/432384228.db2.gz FLQIWQSOVZVUNN-UHFFFAOYSA-N 0 0 323.400 3.012 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000175074882 432394077 /nfs/dbraw/zinc/39/40/77/432394077.db2.gz RDJRDPXXXZDPHV-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCSCCNC(=O)COc1ccc(/C=C\C)cc1OC ZINC000254990003 432406692 /nfs/dbraw/zinc/40/66/92/432406692.db2.gz ZINQRDHYCVAGQP-XQRVVYSFSA-N 0 0 321.442 3.143 10 30 DGEERN CCN(C[C@@H](C)C#N)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000249883004 432360920 /nfs/dbraw/zinc/36/09/20/432360920.db2.gz NZHUKORFTAXCQF-DLBZAZTESA-N 0 0 315.461 3.294 10 30 DGEERN C=C(C)CN(CC)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175464542 432438111 /nfs/dbraw/zinc/43/81/11/432438111.db2.gz QLVBZGSKYOUXGJ-UHFFFAOYSA-N 0 0 305.328 3.189 10 30 DGEERN C=CCCCC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000175480370 432439910 /nfs/dbraw/zinc/43/99/10/432439910.db2.gz WPEZDMYBJDNPKS-UHFFFAOYSA-N 0 0 302.418 3.137 10 30 DGEERN CC(C)CC(=O)N1CCC(COc2ccccc2C#N)CC1 ZINC000184965860 432451417 /nfs/dbraw/zinc/45/14/17/432451417.db2.gz YRNMVDVXQZDFRL-UHFFFAOYSA-N 0 0 300.402 3.222 10 30 DGEERN C=CCOc1ccccc1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175728066 432458315 /nfs/dbraw/zinc/45/83/15/432458315.db2.gz JZOAZICWUAVNKA-CYBMUJFWSA-N 0 0 319.401 3.054 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2sccc2C#N)s1 ZINC000175266962 432419298 /nfs/dbraw/zinc/41/92/98/432419298.db2.gz DHJITHNZEXOODC-QMMMGPOBSA-N 0 0 307.400 3.344 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000153556927 432419727 /nfs/dbraw/zinc/41/97/27/432419727.db2.gz OEMYVEONSRZSEW-ZDUSSCGKSA-N 0 0 307.438 3.107 10 30 DGEERN N#Cc1ccccc1OCC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184693522 432422865 /nfs/dbraw/zinc/42/28/65/432422865.db2.gz WBBJTPLMCCNAPH-UHFFFAOYSA-N 0 0 318.376 3.011 10 30 DGEERN CCCN(C(=O)c1ccnc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000192884491 432424926 /nfs/dbraw/zinc/42/49/26/432424926.db2.gz ZHHSPFQMSMAESY-IBGZPJMESA-N 0 0 319.408 3.363 10 30 DGEERN COc1ccc(/C=C/C(C)=NNC(=S)NCC(C)C)cc1 ZINC000257352023 432426618 /nfs/dbraw/zinc/42/66/18/432426618.db2.gz INOZONYZTGDEDZ-HASVTTKBSA-N 0 0 305.447 3.204 10 30 DGEERN CC(C)c1n[nH]cc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000193437105 432474820 /nfs/dbraw/zinc/47/48/20/432474820.db2.gz BTUCUPUZSCQDBJ-UHFFFAOYSA-N 0 0 312.373 3.468 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000154339732 432492285 /nfs/dbraw/zinc/49/22/85/432492285.db2.gz BHBRPBNDOZWRQM-HZPDHXFCSA-N 0 0 303.402 3.463 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000185348391 432493072 /nfs/dbraw/zinc/49/30/72/432493072.db2.gz KGUMDEWNTLZMBT-XHSDSOJGSA-N 0 0 308.466 3.132 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000185365182 432494493 /nfs/dbraw/zinc/49/44/93/432494493.db2.gz NGVCKJYKKPDUNI-JKSUJKDBSA-N 0 0 317.429 3.427 10 30 DGEERN C[C@@H]1COCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000193805687 432498965 /nfs/dbraw/zinc/49/89/65/432498965.db2.gz KQZWUNAQRWOVQH-GHMZBOCLSA-N 0 0 304.415 3.110 10 30 DGEERN C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)[C@@H]1c1cccc(F)c1 ZINC000176214912 432500786 /nfs/dbraw/zinc/50/07/86/432500786.db2.gz LLSGNKPYYVKRLA-SJCJKPOMSA-N 0 0 311.360 3.259 10 30 DGEERN C=CCCCC(=O)N[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193862448 432504984 /nfs/dbraw/zinc/50/49/84/432504984.db2.gz KUKLRDZFCRDVCX-HNNXBMFYSA-N 0 0 309.793 3.417 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000185541641 432510397 /nfs/dbraw/zinc/51/03/97/432510397.db2.gz NEZYRZFNFZBEIA-CABCVRRESA-N 0 0 308.397 3.149 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CSc1ccccc1OC ZINC000154628554 432511007 /nfs/dbraw/zinc/51/10/07/432511007.db2.gz MTQQVZPFWMOXPK-UHFFFAOYSA-N 0 0 319.348 3.364 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccnc1OC ZINC000193319942 432465754 /nfs/dbraw/zinc/46/57/54/432465754.db2.gz PFODUHDZFMOMPB-UHFFFAOYSA-N 0 0 313.357 3.187 10 30 DGEERN C=C(C)C[C@H](C)C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC000185953895 432548736 /nfs/dbraw/zinc/54/87/36/432548736.db2.gz GQANNVSAYZWDOF-LBPRGKRZSA-N 0 0 318.348 3.445 10 30 DGEERN Cc1ccc(SC[C@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000185975927 432549822 /nfs/dbraw/zinc/54/98/22/432549822.db2.gz CZBYUCFFXPOFBV-ZDUSSCGKSA-N 0 0 313.426 3.116 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000186044600 432554909 /nfs/dbraw/zinc/55/49/09/432554909.db2.gz LKUWOUZCAIWSLX-ZDUSSCGKSA-N 0 0 302.374 3.124 10 30 DGEERN C=C(C)[C@H](NC(=O)c1c[nH]c(=O)cc1C)c1ccc(F)c(F)c1 ZINC000186074829 432556876 /nfs/dbraw/zinc/55/68/76/432556876.db2.gz GIQXPQJMPYCCKD-INIZCTEOSA-N 0 0 318.323 3.009 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000194501013 432556999 /nfs/dbraw/zinc/55/69/99/432556999.db2.gz LLXBHNNBLJGTAA-LBPRGKRZSA-N 0 0 316.376 3.173 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000186109850 432559018 /nfs/dbraw/zinc/55/90/18/432559018.db2.gz PLRIFHZQDWQLLJ-CABCVRRESA-N 0 0 303.402 3.179 10 30 DGEERN C=CCn1c(C)nnc1SCc1nc(C2CCCC2)no1 ZINC000155558487 432561044 /nfs/dbraw/zinc/56/10/44/432561044.db2.gz GDIIAUXFXGBVRJ-UHFFFAOYSA-N 0 0 305.407 3.105 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC(=O)OCC)cc1 ZINC000186141576 432561742 /nfs/dbraw/zinc/56/17/42/432561742.db2.gz RSGDNEMIEBPJIX-CYBMUJFWSA-N 0 0 305.374 3.169 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc2ccccc2n1CCOC ZINC000186150205 432562178 /nfs/dbraw/zinc/56/21/78/432562178.db2.gz ZLCYAHZPRVSCOA-ZDUSSCGKSA-N 0 0 301.390 3.224 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000185639306 432518371 /nfs/dbraw/zinc/51/83/71/432518371.db2.gz NSQBMFGWVVYWIX-DOMZBBRYSA-N 0 0 320.820 3.164 10 30 DGEERN Cc1nnc(CN(Cc2ccc(C#N)cc2)C(C)C)n1C1CC1 ZINC000155014728 432534402 /nfs/dbraw/zinc/53/44/02/432534402.db2.gz JHHHVAAYDANJLI-UHFFFAOYSA-N 0 0 309.417 3.204 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000185873362 432541317 /nfs/dbraw/zinc/54/13/17/432541317.db2.gz KLXDJOAOYSORGN-AWEZNQCLSA-N 0 0 319.405 3.424 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000185900476 432545291 /nfs/dbraw/zinc/54/52/91/432545291.db2.gz LWSDVGRJHDKTLG-MRXNPFEDSA-N 0 0 319.445 3.196 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000185944881 432547422 /nfs/dbraw/zinc/54/74/22/432547422.db2.gz MQMFFRHXDYUKMY-CQSZACIVSA-N 0 0 305.443 3.145 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000185943680 432548143 /nfs/dbraw/zinc/54/81/43/432548143.db2.gz AZSHFEAPTVWRCE-MRXNPFEDSA-N 0 0 313.372 3.468 10 30 DGEERN Cc1ccc2c(CCNC(=O)c3sccc3C#N)cn(C)c2c1 ZINC000186556205 432607256 /nfs/dbraw/zinc/60/72/56/432607256.db2.gz BPGONOQCZMGJHW-UHFFFAOYSA-N 0 0 323.421 3.392 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000186582273 432610646 /nfs/dbraw/zinc/61/06/46/432610646.db2.gz KWGRQZREAPNGLX-GPJUQDOMSA-N 0 0 322.405 3.188 10 30 DGEERN CCCCOc1cc(OC)ccc1C(=O)NC1(C#N)CCCC1 ZINC000186602673 432611943 /nfs/dbraw/zinc/61/19/43/432611943.db2.gz XLSNPCOVZATNQM-UHFFFAOYSA-N 0 0 316.401 3.440 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000186187053 432566511 /nfs/dbraw/zinc/56/65/11/432566511.db2.gz OLKJOEIJIBSVQC-NVXWUHKLSA-N 0 0 304.434 3.318 10 30 DGEERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C ZINC000176935626 432567408 /nfs/dbraw/zinc/56/74/08/432567408.db2.gz SFECYBSCSRHCPQ-MRXNPFEDSA-N 0 0 323.400 3.068 10 30 DGEERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C ZINC000176935638 432568223 /nfs/dbraw/zinc/56/82/23/432568223.db2.gz SFECYBSCSRHCPQ-INIZCTEOSA-N 0 0 323.400 3.068 10 30 DGEERN C=C(C)CN(CC)C(=O)CSCc1nc(C2CCCC2)no1 ZINC000155987439 432583866 /nfs/dbraw/zinc/58/38/66/432583866.db2.gz PCJXUBXGXDGHGK-UHFFFAOYSA-N 0 0 323.462 3.385 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(OCCCC)cc1Cl ZINC000186369413 432588473 /nfs/dbraw/zinc/58/84/73/432588473.db2.gz DRRGMMQFXQBPRH-GFCCVEGCSA-N 0 0 311.809 3.186 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000177130185 432588724 /nfs/dbraw/zinc/58/87/24/432588724.db2.gz AYFDOLQIDWLCDZ-UHFFFAOYSA-N 0 0 315.804 3.258 10 30 DGEERN N#Cc1csc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000177482521 432629893 /nfs/dbraw/zinc/62/98/93/432629893.db2.gz LTQFDFXUOFSLKS-NSHDSACASA-N 0 0 303.412 3.096 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000177543242 432634553 /nfs/dbraw/zinc/63/45/53/432634553.db2.gz CEKWWMHFHDGGGF-UHFFFAOYSA-N 0 0 320.327 3.350 10 30 DGEERN Cc1nccn1C[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000187125732 432646855 /nfs/dbraw/zinc/64/68/55/432646855.db2.gz IFJUZWLKGKBDOE-QGZVFWFLSA-N 0 0 314.820 3.381 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000274346775 432655353 /nfs/dbraw/zinc/65/53/53/432655353.db2.gz RFGIHIOVNQZTJW-LLVKDONJSA-N 0 0 302.374 3.121 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CCN(C)C(=O)[C@@H](C)CC(=C)C ZINC000274370958 432658660 /nfs/dbraw/zinc/65/86/60/432658660.db2.gz DEXGXDCEUWRAEF-IYBDPMFKSA-N 0 0 308.466 3.108 10 30 DGEERN CC(C)(C)OC(=O)NCCCNc1c(F)cc(C#N)cc1F ZINC000221532502 432668431 /nfs/dbraw/zinc/66/84/31/432668431.db2.gz BETZYVDNBFLCGG-UHFFFAOYSA-N 0 0 311.332 3.163 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)Nc1cc(C#N)ccc1C ZINC000187921809 432693287 /nfs/dbraw/zinc/69/32/87/432693287.db2.gz CGIUJVUMUAOCHK-LBPRGKRZSA-N 0 0 310.357 3.153 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000188011263 432698420 /nfs/dbraw/zinc/69/84/20/432698420.db2.gz NLANYVSYXMQQEU-UHFFFAOYSA-N 0 0 307.309 3.137 10 30 DGEERN C=CCCCN(C)C(=O)CCc1ccc(OC)c(OC)c1OC ZINC000265477357 432702276 /nfs/dbraw/zinc/70/22/76/432702276.db2.gz CWDLSEGEKLKEQH-UHFFFAOYSA-N 0 0 321.417 3.070 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(NC(C)=O)c1C ZINC000188445881 432725126 /nfs/dbraw/zinc/72/51/26/432725126.db2.gz LHTHZCHXKILGMB-UHFFFAOYSA-N 0 0 314.307 3.144 10 30 DGEERN Cc1ccc2c(CCNC(=O)c3cc(C#N)cs3)cn(C)c2c1 ZINC000188431799 432725403 /nfs/dbraw/zinc/72/54/03/432725403.db2.gz VZBXGQDKDZZDES-UHFFFAOYSA-N 0 0 323.421 3.392 10 30 DGEERN CCC1(CC)CN([C@@H](C)c2cccc(C#N)c2)CC[S@@]1=O ZINC000187727582 432679966 /nfs/dbraw/zinc/67/99/66/432679966.db2.gz WDODHFQPKVAMKJ-QKKBWIMNSA-N 0 0 304.459 3.242 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187716384 432680613 /nfs/dbraw/zinc/68/06/13/432680613.db2.gz QJQJGNKWIPKUBC-UHFFFAOYSA-N 0 0 315.376 3.120 10 30 DGEERN COCc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187775100 432683514 /nfs/dbraw/zinc/68/35/14/432683514.db2.gz ZILLRSMNMAVGEQ-UHFFFAOYSA-N 0 0 320.392 3.053 10 30 DGEERN C=C(C)[C@H](NCc1nsc(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000187779275 432685308 /nfs/dbraw/zinc/68/53/08/432685308.db2.gz MTAGJEKJYMTWTF-AWEZNQCLSA-N 0 0 324.400 3.289 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2C)cc1OC ZINC000178579061 432754570 /nfs/dbraw/zinc/75/45/70/432754570.db2.gz XYSORFLLBAZBFZ-CYBMUJFWSA-N 0 0 324.380 3.375 10 30 DGEERN C[C@H]1CCC[C@@](C#N)(NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000189040357 432760476 /nfs/dbraw/zinc/76/04/76/432760476.db2.gz CGZXQQRTRZTRDG-QPUJVOFHSA-N 0 0 317.336 3.364 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000189095122 432763180 /nfs/dbraw/zinc/76/31/80/432763180.db2.gz XVQZQJRTTXVVCI-PXAZEXFGSA-N 0 0 303.406 3.384 10 30 DGEERN Cn1ccc2cccc(NCc3cnc4ccc(C#N)cn34)c21 ZINC000189185773 432768927 /nfs/dbraw/zinc/76/89/27/432768927.db2.gz KGTXTDNJMQAWKO-UHFFFAOYSA-N 0 0 301.353 3.310 10 30 DGEERN Cc1cc(S(C)(=O)=O)ccc1NCc1cc(C#N)ccc1F ZINC000178399982 432732053 /nfs/dbraw/zinc/73/20/53/432732053.db2.gz HFTBGFMJURVXOH-UHFFFAOYSA-N 0 0 318.373 3.021 10 30 DGEERN Cc1ccc(C#N)c(NCc2ccc(N3CCCCC3=O)cc2)n1 ZINC000160784780 432740329 /nfs/dbraw/zinc/74/03/29/432740329.db2.gz MGZBBZZAVMEXOP-UHFFFAOYSA-N 0 0 320.396 3.391 10 30 DGEERN C=CCc1cc(CN2CCO[C@@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245514547 432839136 /nfs/dbraw/zinc/83/91/36/432839136.db2.gz GAEUWHACYPGLOA-IAGOWNOFSA-N 0 0 317.429 3.273 10 30 DGEERN Cc1ccc(CCCC(=O)NC2(C#N)CCSCC2)cc1 ZINC000162573581 432827583 /nfs/dbraw/zinc/82/75/83/432827583.db2.gz IGMWIAULVVEHHV-UHFFFAOYSA-N 0 0 302.443 3.223 10 30 DGEERN CC(C)N(CCc1nccs1)C(=O)c1cc(C#N)cs1 ZINC000178912051 432787338 /nfs/dbraw/zinc/78/73/38/432787338.db2.gz XNBWUBCULUDRLH-UHFFFAOYSA-N 0 0 305.428 3.170 10 30 DGEERN N#C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)C1CC1 ZINC000161685944 432791719 /nfs/dbraw/zinc/79/17/19/432791719.db2.gz SEYSTTITPRTSJL-OAHLLOKOSA-N 0 0 304.340 3.195 10 30 DGEERN N#C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000161713859 432793110 /nfs/dbraw/zinc/79/31/10/432793110.db2.gz SPDUSXHYHWCEDC-ZDUSSCGKSA-N 0 0 308.303 3.155 10 30 DGEERN CC[C@H](CSC)N(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189727344 432814681 /nfs/dbraw/zinc/81/46/81/432814681.db2.gz LLNWWMGHSFFLDW-OAHLLOKOSA-N 0 0 302.443 3.190 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000189733086 432814743 /nfs/dbraw/zinc/81/47/43/432814743.db2.gz WVYALBKIHCOTTK-MRXNPFEDSA-N 0 0 306.381 3.047 10 30 DGEERN CCCC1(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCC1 ZINC000330159611 432895601 /nfs/dbraw/zinc/89/56/01/432895601.db2.gz RBLZSYHYHUSPBK-UKRRQHHQSA-N 0 0 305.422 3.425 10 30 DGEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000245903234 432869028 /nfs/dbraw/zinc/86/90/28/432869028.db2.gz SQUJGSQKJLNBAT-BFQNTYOBSA-N 0 0 322.405 3.039 10 30 DGEERN Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)nn1-c1ccccc1 ZINC000277813670 432877024 /nfs/dbraw/zinc/87/70/24/432877024.db2.gz HGPUGROXPXHREP-KRWDZBQOSA-N 0 0 322.412 3.335 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)CCSC ZINC000288078095 432884922 /nfs/dbraw/zinc/88/49/22/432884922.db2.gz GZNXMTZCIPTMNC-DOTOQJQBSA-N 0 0 318.486 3.404 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000288285336 432890868 /nfs/dbraw/zinc/89/08/68/432890868.db2.gz VMRIUHXVYVZWGU-IEBWSBKVSA-N 0 0 321.424 3.496 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330065745 432891306 /nfs/dbraw/zinc/89/13/06/432891306.db2.gz DGDYAMOSGCMQAQ-XFBWCDHKSA-N 0 0 310.401 3.224 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000288285341 432891398 /nfs/dbraw/zinc/89/13/98/432891398.db2.gz VMRIUHXVYVZWGU-MJGOQNOKSA-N 0 0 321.424 3.496 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000278344471 432891571 /nfs/dbraw/zinc/89/15/71/432891571.db2.gz MJAGIJODIGKVLY-GDBMZVCRSA-N 0 0 305.805 3.206 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000330145251 432894365 /nfs/dbraw/zinc/89/43/65/432894365.db2.gz SDVIUXBBTGAVRB-ZWNOBZJWSA-N 0 0 318.402 3.120 10 30 DGEERN C[C@](O)(CNC(=O)c1cn2ccnc2s1)C1CCCCC1 ZINC000330167948 432895028 /nfs/dbraw/zinc/89/50/28/432895028.db2.gz WDNLOLXVCGDFSA-HNNXBMFYSA-N 0 0 307.419 3.032 10 30 DGEERN C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245659604 432854529 /nfs/dbraw/zinc/85/45/29/432854529.db2.gz PJOFTVDUSMKQJX-QZTJIDSGSA-N 0 0 320.396 3.125 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2cnccc2c1 ZINC000296817452 432928626 /nfs/dbraw/zinc/92/86/26/432928626.db2.gz GSEIBTVBZZIUOC-RDJZCZTQSA-N 0 0 311.385 3.338 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296913479 432938912 /nfs/dbraw/zinc/93/89/12/432938912.db2.gz NWTCKDJQMIXUSQ-JSGCOSHPSA-N 0 0 315.348 3.042 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000330197633 432897151 /nfs/dbraw/zinc/89/71/51/432897151.db2.gz SBILZUOVJLVKPW-WISYIIOYSA-N 0 0 308.344 3.036 10 30 DGEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330269234 432900956 /nfs/dbraw/zinc/90/09/56/432900956.db2.gz JDRXAYSHFZSOHY-CBBWQLFWSA-N 0 0 301.390 3.140 10 30 DGEERN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]1Cn1ccnc1 ZINC000330285911 432902202 /nfs/dbraw/zinc/90/22/02/432902202.db2.gz ZKHXFCYEXTXYRZ-GVDBMIGSSA-N 0 0 316.449 3.230 10 30 DGEERN C[C@@H](CC(=O)N1CCO[C@H]2CCC[C@H]21)NC(=O)C1CCCCC1 ZINC000330350028 432906016 /nfs/dbraw/zinc/90/60/16/432906016.db2.gz KPGOFSVRSOHWFE-IMJJTQAJSA-N 0 0 322.449 3.082 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)Nc2cccc(OC)c2)no1 ZINC000288988720 432911597 /nfs/dbraw/zinc/91/15/97/432911597.db2.gz CQTIXYXYNZPWCO-LBPRGKRZSA-N 0 0 315.373 3.329 10 30 DGEERN C#Cc1ccc(CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1 ZINC000297496836 432996796 /nfs/dbraw/zinc/99/67/96/432996796.db2.gz TVFCWNNLGQYICF-SFHVURJKSA-N 0 0 320.392 3.494 10 30 DGEERN C=CCC[C@@H](C)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000290229549 433016444 /nfs/dbraw/zinc/01/64/44/433016444.db2.gz SQZSAYQNKHCUBE-DGCLKSJQSA-N 0 0 301.390 3.206 10 30 DGEERN C=CCOc1cccc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000372919661 433062045 /nfs/dbraw/zinc/06/20/45/433062045.db2.gz DGHZNHQYVAKTFF-GOSISDBHSA-N 0 0 320.396 3.249 10 30 DGEERN C=CCNC(=O)c1ccc(NC[C@H]2CCO[C@H](CC)C2)cc1 ZINC000419737032 433068832 /nfs/dbraw/zinc/06/88/32/433068832.db2.gz CDWHWYSGYGAXOU-WMLDXEAASA-N 0 0 302.418 3.220 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nc(-c2ccc(F)cc2)cs1 ZINC000425278104 433142819 /nfs/dbraw/zinc/14/28/19/433142819.db2.gz GJZXQURMJPBKQP-WFASDCNBSA-N 0 0 304.390 3.952 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CC)Cc1cccc(Cl)c1 ZINC000298481463 433151877 /nfs/dbraw/zinc/15/18/77/433151877.db2.gz XLFKYFJGILMQSX-UHFFFAOYSA-N 0 0 322.836 3.113 10 30 DGEERN CN(C)c1ccc(C2CCN(c3ccncc3C#N)CC2)cc1 ZINC000373448584 433152368 /nfs/dbraw/zinc/15/23/68/433152368.db2.gz MANITTULUGDSEG-UHFFFAOYSA-N 0 0 306.413 3.403 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000290568115 433102524 /nfs/dbraw/zinc/10/25/24/433102524.db2.gz ZSQOQAFJHBZWNX-WBMJQRKESA-N 0 0 300.381 3.499 10 30 DGEERN CN(c1cccc(F)c1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336658676 433172996 /nfs/dbraw/zinc/17/29/96/433172996.db2.gz SCQRMWOWVPLUDY-INIZCTEOSA-N 0 0 309.388 3.408 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000361447223 433178153 /nfs/dbraw/zinc/17/81/53/433178153.db2.gz INGIVEHQWRQAKZ-GOSISDBHSA-N 0 0 315.413 3.124 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCCCC[C@H]1C ZINC000453435177 433183257 /nfs/dbraw/zinc/18/32/57/433183257.db2.gz GJRLNXUJQXPPFQ-CABCVRRESA-N 0 0 304.438 3.475 10 30 DGEERN C=CCn1c(N2CCCC[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453435728 433183959 /nfs/dbraw/zinc/18/39/59/433183959.db2.gz GYNKRSZNCLJQSI-PBHICJAKSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCCCC[C@@H]1C ZINC000453435182 433184224 /nfs/dbraw/zinc/18/42/24/433184224.db2.gz GJRLNXUJQXPPFQ-LSDHHAIUSA-N 0 0 304.438 3.475 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000280813689 433184692 /nfs/dbraw/zinc/18/46/92/433184692.db2.gz ZNFHTMWZTBDZFK-QKPAOTATSA-N 0 0 305.805 3.293 10 30 DGEERN C=CCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453443002 433187090 /nfs/dbraw/zinc/18/70/90/433187090.db2.gz PZNIHPCQVUFHJB-KSSFIOAISA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453447463 433190773 /nfs/dbraw/zinc/19/07/73/433190773.db2.gz XKSKZUGDSSRTDF-SFHVURJKSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N(CC)C[C@H](C)CC)nnc1[C@@]1(C)CCCO1 ZINC000453444767 433190840 /nfs/dbraw/zinc/19/08/40/433190840.db2.gz SSKRHJIMTGGRSR-RHSMWYFYSA-N 0 0 306.454 3.362 10 30 DGEERN C=C(C)Cn1c(N(C)[C@@H](C)C2CC2)nnc1[C@]1(C)CCCO1 ZINC000453472113 433201557 /nfs/dbraw/zinc/20/15/57/433201557.db2.gz WBZANIXOKHMRQK-GUYCJALGSA-N 0 0 304.438 3.115 10 30 DGEERN C=C1CCN(c2nnc([C@]3(C)CCCO3)n2CC(C)C)CC1 ZINC000453486312 433204814 /nfs/dbraw/zinc/20/48/14/433204814.db2.gz ZGZROAFWXIQZTB-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nncs2)cc1 ZINC000298718190 433225423 /nfs/dbraw/zinc/22/54/23/433225423.db2.gz RRMXDUDPPSKWFO-ZIAGYGMSSA-N 0 0 315.398 3.125 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@H](O)C1(C)C)c1ccccc1 ZINC000361548538 433237976 /nfs/dbraw/zinc/23/79/76/433237976.db2.gz ZHGUDABNULZTAI-HOTGVXAUSA-N 0 0 302.418 3.249 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000412931617 433250900 /nfs/dbraw/zinc/25/09/00/433250900.db2.gz HRGFYOUTARONOC-KBPBESRZSA-N 0 0 305.443 3.246 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000281006961 433252124 /nfs/dbraw/zinc/25/21/24/433252124.db2.gz DWKWZOPLUDUPDG-IVMMDQJWSA-N 0 0 300.402 3.366 10 30 DGEERN C[C@@H]1CC(CNC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000281047648 433259864 /nfs/dbraw/zinc/25/98/64/433259864.db2.gz GARFMXJHWRWRJR-ZIAGYGMSSA-N 0 0 312.413 3.175 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000338845984 433323328 /nfs/dbraw/zinc/32/33/28/433323328.db2.gz FWVLGUMCRULJDC-CRAIPNDOSA-N 0 0 318.465 3.407 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C/C(C)=C\c1ccccc1 ZINC000425563295 433301334 /nfs/dbraw/zinc/30/13/34/433301334.db2.gz IOXOHCLRQSPNNF-STRMSICTSA-N 0 0 314.429 3.322 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000425564505 433303285 /nfs/dbraw/zinc/30/32/85/433303285.db2.gz LYHTULDSBUWZQF-KSZLIROESA-N 0 0 314.429 3.085 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000420914989 433311034 /nfs/dbraw/zinc/31/10/34/433311034.db2.gz ZWTQFHRFXKIZGH-QZTJIDSGSA-N 0 0 316.445 3.384 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000281518515 433311140 /nfs/dbraw/zinc/31/11/40/433311140.db2.gz RJKNULWXGNASPV-RBOXIYTFSA-N 0 0 324.371 3.306 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000425584226 433311479 /nfs/dbraw/zinc/31/14/79/433311479.db2.gz PJVDNZQYLKFLAU-INWMFGNUSA-N 0 0 306.381 3.119 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cl)cc1COC ZINC000425760293 433356625 /nfs/dbraw/zinc/35/66/25/433356625.db2.gz YOZUVCQJUCZAJR-CABCVRRESA-N 0 0 324.808 3.342 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000299287850 433357941 /nfs/dbraw/zinc/35/79/41/433357941.db2.gz GQQJODWTSKCEQB-JTQLQIEISA-N 0 0 305.271 3.170 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000425846759 433361785 /nfs/dbraw/zinc/36/17/85/433361785.db2.gz BZIQBHZBHMNWBJ-RDJZCZTQSA-N 0 0 320.408 3.337 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000299318619 433364686 /nfs/dbraw/zinc/36/46/86/433364686.db2.gz WIUCTYSCCRRNDQ-SNVBAGLBSA-N 0 0 305.271 3.170 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375118716 433368249 /nfs/dbraw/zinc/36/82/49/433368249.db2.gz ANIKTQWYOZFGKM-DOMZBBRYSA-N 0 0 306.406 3.011 10 30 DGEERN C#CCCCCC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000374991600 433326795 /nfs/dbraw/zinc/32/67/95/433326795.db2.gz YMTTYJWPJRJTMX-MRXNPFEDSA-N 0 0 322.412 3.329 10 30 DGEERN C=CCCCNC(=O)NCCc1ccc(Br)cc1 ZINC000447963240 433334132 /nfs/dbraw/zinc/33/41/32/433334132.db2.gz JBOHKZIHCZXDAK-UHFFFAOYSA-N 0 0 311.223 3.257 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000425661193 433335537 /nfs/dbraw/zinc/33/55/37/433335537.db2.gz YCNUJZOSTXLALO-YOEHRIQHSA-N 0 0 316.401 3.188 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCSCc1ccccn1 ZINC000299151299 433335666 /nfs/dbraw/zinc/33/56/66/433335666.db2.gz YRHCBFXHAWXBFP-UHFFFAOYSA-N 0 0 318.364 3.282 10 30 DGEERN C=CCCCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000447974147 433336224 /nfs/dbraw/zinc/33/62/24/433336224.db2.gz WUQLYWCLEHAZRF-QGZVFWFLSA-N 0 0 318.417 3.420 10 30 DGEERN C=CCCCNC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000447969094 433336801 /nfs/dbraw/zinc/33/68/01/433336801.db2.gz UNCUQMUWDOHCDI-UHFFFAOYSA-N 0 0 303.406 3.168 10 30 DGEERN C=CCCCNC(=O)NCc1ccccc1OCC(F)(F)F ZINC000447984544 433338875 /nfs/dbraw/zinc/33/88/75/433338875.db2.gz YPHMCXKUSVQKAD-UHFFFAOYSA-N 0 0 316.323 3.393 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000426053445 433412290 /nfs/dbraw/zinc/41/22/90/433412290.db2.gz XGPOPKJKHQEESR-CQSZACIVSA-N 0 0 311.385 3.191 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1nn(C)cc1Cl ZINC000421218634 433466311 /nfs/dbraw/zinc/46/63/11/433466311.db2.gz MKQXAFDNJIZNTM-LLVKDONJSA-N 0 0 315.870 3.120 10 30 DGEERN C=C(Br)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282028490 433472570 /nfs/dbraw/zinc/47/25/70/433472570.db2.gz KTVXBKIDGYGKMM-ZDUSSCGKSA-N 0 0 324.266 3.307 10 30 DGEERN C=C(C)[C@H](CC(=O)NCCc1cccc2[nH]ccc21)OCC ZINC000282144335 433510625 /nfs/dbraw/zinc/51/06/25/433510625.db2.gz NMKRBXOWNQNXKW-KRWDZBQOSA-N 0 0 300.402 3.198 10 30 DGEERN C=CCC1(c2nc(COC[C@H]3CCOC3)no2)CCCCC1 ZINC000351438257 433511229 /nfs/dbraw/zinc/51/12/29/433511229.db2.gz JJBRSHWEVHKNLC-AWEZNQCLSA-N 0 0 306.406 3.401 10 30 DGEERN C=CCCCN(C)c1ccc2nnc(-c3ccccc3F)n2n1 ZINC000301346053 433519256 /nfs/dbraw/zinc/51/92/56/433519256.db2.gz SOBBPBHEKQHDKG-UHFFFAOYSA-N 0 0 311.364 3.333 10 30 DGEERN CSC[C@H](CCO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301376249 433528934 /nfs/dbraw/zinc/52/89/34/433528934.db2.gz VZOXBFZBLLJCMA-LBPRGKRZSA-N 0 0 321.833 3.286 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)c1ccc(Br)cc1 ZINC000448673442 433488989 /nfs/dbraw/zinc/48/89/89/433488989.db2.gz AGXYKVLLUZZGPT-KGLIPLIRSA-N 0 0 324.218 3.393 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC=C(Br)C1 ZINC000282111679 433498095 /nfs/dbraw/zinc/49/80/95/433498095.db2.gz FSYBOQKKVBZNBV-UHFFFAOYSA-N 0 0 322.202 3.376 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000301420968 433545225 /nfs/dbraw/zinc/54/52/25/433545225.db2.gz IIBRCMKKDMAMOM-UHFFFAOYSA-N 0 0 310.313 3.193 10 30 DGEERN C#CCCCCC(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000375994586 433638435 /nfs/dbraw/zinc/63/84/35/433638435.db2.gz NABWGIANMDHOSJ-QGZVFWFLSA-N 0 0 324.424 3.131 10 30 DGEERN C#CCOCCC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000376018720 433643234 /nfs/dbraw/zinc/64/32/34/433643234.db2.gz ZSGSCDWHLSEPPN-GOSISDBHSA-N 0 0 321.367 3.115 10 30 DGEERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(C#N)ccn1 ZINC000283080865 433661266 /nfs/dbraw/zinc/66/12/66/433661266.db2.gz VPHUWDFSQZNPJM-UHFFFAOYSA-N 0 0 309.413 3.242 10 30 DGEERN C=CCC1(CNC(=O)c2c(CC)ncnc2CC)CCCC1 ZINC000456501183 433692751 /nfs/dbraw/zinc/69/27/51/433692751.db2.gz FJMMIPUOOIJYRS-UHFFFAOYSA-N 0 0 301.434 3.468 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414509964 433673816 /nfs/dbraw/zinc/67/38/16/433673816.db2.gz CWUPCDXLXVPNSO-INIZCTEOSA-N 0 0 318.465 3.058 10 30 DGEERN CC(C)[C@H](Nc1ccc(C#N)cn1)c1nc(-c2cccnc2)no1 ZINC000301697894 433682266 /nfs/dbraw/zinc/68/22/66/433682266.db2.gz CVCGXZNUINBTNW-HNNXBMFYSA-N 0 0 320.356 3.207 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000293294298 433689278 /nfs/dbraw/zinc/68/92/78/433689278.db2.gz DMBQIINHPRJSBM-SWLSCSKDSA-N 0 0 308.447 3.358 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000362397733 433690394 /nfs/dbraw/zinc/69/03/94/433690394.db2.gz RYLRPQRTLCEURS-LBPRGKRZSA-N 0 0 315.442 3.357 10 30 DGEERN C=CCn1c(N2CC(C)(C)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000414527543 433691137 /nfs/dbraw/zinc/69/11/37/433691137.db2.gz MRDFDBOEDZIKKS-CXAGYDPISA-N 0 0 304.438 3.115 10 30 DGEERN Cc1nc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c(=O)[nH]c1C ZINC000328926194 293348144 /nfs/dbraw/zinc/34/81/44/293348144.db2.gz OQFAKNGYNOZYOD-ZETCQYMHSA-N 0 0 318.402 3.017 10 30 DGEERN C=CCCCCCN(C)C(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000427471209 433716757 /nfs/dbraw/zinc/71/67/57/433716757.db2.gz LICKQDBCKLHSLI-UHFFFAOYSA-N 0 0 300.406 3.234 10 30 DGEERN C#CCCCS(=O)(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000376392466 433730146 /nfs/dbraw/zinc/73/01/46/433730146.db2.gz UOZDRRACEKFNOC-DZGCQCFKSA-N 0 0 309.431 3.104 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000362492436 433731106 /nfs/dbraw/zinc/73/11/06/433731106.db2.gz LYDRZXHMCIZFOV-LJQANCHMSA-N 0 0 309.409 3.195 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000456611542 433746240 /nfs/dbraw/zinc/74/62/40/433746240.db2.gz RAVFDLZPHLSTQX-LPHOPBHVSA-N 0 0 316.445 3.303 10 30 DGEERN C=CCC[C@H](NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C)C(=O)OCC ZINC000456612757 433749714 /nfs/dbraw/zinc/74/97/14/433749714.db2.gz SJKRVQGFCNLYFM-QSPRXWTASA-N 0 0 315.413 3.050 10 30 DGEERN N#CC1CCC(CNC(=O)Nc2cccc3c2OCCC3)CC1 ZINC000376572258 433780349 /nfs/dbraw/zinc/78/03/49/433780349.db2.gz BWIPRUMAQHHELT-UHFFFAOYSA-N 0 0 313.401 3.463 10 30 DGEERN C#CCCCCNC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000376574694 433781649 /nfs/dbraw/zinc/78/16/49/433781649.db2.gz JWLBOURWDXDELZ-UHFFFAOYSA-N 0 0 314.364 3.151 10 30 DGEERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000376629108 433790721 /nfs/dbraw/zinc/79/07/21/433790721.db2.gz VCCVIDMBRWNREJ-CYBMUJFWSA-N 0 0 308.385 3.148 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000376661614 433794840 /nfs/dbraw/zinc/79/48/40/433794840.db2.gz XBHSIWNEBTZAFX-UHFFFAOYSA-N 0 0 311.772 3.127 10 30 DGEERN COCC[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 ZINC000301919030 433795685 /nfs/dbraw/zinc/79/56/85/433795685.db2.gz FFRKLAGERKOTBF-AWEZNQCLSA-N 0 0 302.765 3.191 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421902179 433798507 /nfs/dbraw/zinc/79/85/07/433798507.db2.gz BVBFYJJFKLVOSR-ZNMIVQPWSA-N 0 0 303.402 3.113 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362642814 433804044 /nfs/dbraw/zinc/80/40/44/433804044.db2.gz KLLRDIIBQSEOET-MRXNPFEDSA-N 0 0 319.445 3.397 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000456756088 433806578 /nfs/dbraw/zinc/80/65/78/433806578.db2.gz GUTNUKBEZPCDCZ-ZDUSSCGKSA-N 0 0 301.365 3.230 10 30 DGEERN C=CC[C@@H](CO)Nc1ccc2cccc(Br)c2n1 ZINC000302145722 433813490 /nfs/dbraw/zinc/81/34/90/433813490.db2.gz RAJQSVIJHKRWCE-NSHDSACASA-N 0 0 307.191 3.346 10 30 DGEERN C=CCC[C@H](CO)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000456762495 433814413 /nfs/dbraw/zinc/81/44/13/433814413.db2.gz FVPLXFBTHFJLFE-CQSZACIVSA-N 0 0 315.335 3.081 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1ncnc2c3ccccc3oc21 ZINC000435584509 433875705 /nfs/dbraw/zinc/87/57/05/433875705.db2.gz MCPNQLOTJLVRCD-MLGOLLRUSA-N 0 0 309.369 3.769 10 30 DGEERN COc1ccc(N2CCC(Nc3ccc(C)c(C#N)n3)CC2)cc1 ZINC000302678867 433830034 /nfs/dbraw/zinc/83/00/34/433830034.db2.gz VTSNYCRWBGORHN-UHFFFAOYSA-N 0 0 322.412 3.351 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449902040 433862490 /nfs/dbraw/zinc/86/24/90/433862490.db2.gz ITOYYJJNIKKCOJ-HUUCEWRRSA-N 0 0 307.397 3.223 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000362803822 433864850 /nfs/dbraw/zinc/86/48/50/433864850.db2.gz APFRXRRZFFZULI-FZMZJTMJSA-N 0 0 318.398 3.225 10 30 DGEERN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C#N)n2C)s1 ZINC000449923645 433871352 /nfs/dbraw/zinc/87/13/52/433871352.db2.gz FQEFSBVRYZKPMU-LLVKDONJSA-N 0 0 316.430 3.057 10 30 DGEERN C=CCSCCNC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000345243679 433905966 /nfs/dbraw/zinc/90/59/66/433905966.db2.gz BWBSLPVXOJCQKG-UHFFFAOYSA-N 0 0 322.478 3.737 10 30 DGEERN CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000362914511 433908831 /nfs/dbraw/zinc/90/88/31/433908831.db2.gz XTJHNNJRLYZWQO-AWEZNQCLSA-N 0 0 324.421 3.287 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc21 ZINC000285277804 433923214 /nfs/dbraw/zinc/92/32/14/433923214.db2.gz JDAYDUKNKLIFJD-GOSISDBHSA-N 0 0 304.393 3.393 10 30 DGEERN C=CC[C@H]1N(C(=O)CO[C@@H](C)c2nccn2C)CCCC1(C)C ZINC000357347429 433964065 /nfs/dbraw/zinc/96/40/65/433964065.db2.gz ODZAONQBTGNAOJ-LSDHHAIUSA-N 0 0 319.449 3.091 10 30 DGEERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C#N)n2C)c1 ZINC000450128815 433986119 /nfs/dbraw/zinc/98/61/19/433986119.db2.gz QRFIYPWCQQCLHG-KRWDZBQOSA-N 0 0 307.397 3.491 10 30 DGEERN C[C@@H](CC(C)(C)C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000457194262 434045643 /nfs/dbraw/zinc/04/56/43/434045643.db2.gz OMQMJZPQGMYHAV-SJCJKPOMSA-N 0 0 310.438 3.189 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000378057218 434071541 /nfs/dbraw/zinc/07/15/41/434071541.db2.gz KCLJUYAGSNUSED-MRXNPFEDSA-N 0 0 324.428 3.055 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CCC(c2ccccn2)CC1 ZINC000377990344 434052121 /nfs/dbraw/zinc/05/21/21/434052121.db2.gz IIUMHLXHBMCAJD-UHFFFAOYSA-N 0 0 304.393 3.012 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000285946312 434115236 /nfs/dbraw/zinc/11/52/36/434115236.db2.gz KSDXTSRUBODKFW-LLVKDONJSA-N 0 0 303.387 3.125 10 30 DGEERN C#CCCOc1ccc(C(=O)N2CCc3cc(OC)ccc32)cc1 ZINC000294670631 434128758 /nfs/dbraw/zinc/12/87/58/434128758.db2.gz JABRQXRXYFGQOZ-UHFFFAOYSA-N 0 0 321.376 3.300 10 30 DGEERN C=C(C)CS(=O)(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000416595311 434143623 /nfs/dbraw/zinc/14/36/23/434143623.db2.gz QNQAFNXRRDHYGE-MRXNPFEDSA-N 0 0 305.443 3.162 10 30 DGEERN C=CCC1(C(=O)NCCCc2c(C)nn(C)c2C)CCCC1 ZINC000450401095 434154195 /nfs/dbraw/zinc/15/41/95/434154195.db2.gz IPHNIQIQWMRFPO-UHFFFAOYSA-N 0 0 303.450 3.222 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416695965 434163140 /nfs/dbraw/zinc/16/31/40/434163140.db2.gz DFIDEXXUJKPYHH-MRXNPFEDSA-N 0 0 317.433 3.299 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000457505416 434212185 /nfs/dbraw/zinc/21/21/85/434212185.db2.gz NVMJQBDNAGMMDF-HOTGVXAUSA-N 0 0 322.836 3.417 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437330962 434249428 /nfs/dbraw/zinc/24/94/28/434249428.db2.gz DGLQJEYDFRDQJJ-MMYVAXCBSA-N 0 0 323.795 3.432 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2cccnc21 ZINC000286425229 434265233 /nfs/dbraw/zinc/26/52/33/434265233.db2.gz BJQSXEOMEVWICM-OALUTQOASA-N 0 0 318.420 3.252 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC000437478440 434268352 /nfs/dbraw/zinc/26/83/52/434268352.db2.gz BWPNYUOACLUVAX-MEDUHNTESA-N 0 0 303.333 3.283 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000437478930 434268417 /nfs/dbraw/zinc/26/84/17/434268417.db2.gz ITBFCQHHJUTSEX-LRDDRELGSA-N 0 0 311.784 3.119 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCc1cc(F)ccc1F ZINC000437492579 434270202 /nfs/dbraw/zinc/27/02/02/434270202.db2.gz JJNPDJVUBIFFTF-KDOFPFPSSA-N 0 0 323.383 3.385 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@@](C)(O)c1ccccc1 ZINC000286658722 434282376 /nfs/dbraw/zinc/28/23/76/434282376.db2.gz DYRFSQOIUPYYOZ-PZJWPPBQSA-N 0 0 321.420 3.035 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1O ZINC000286631934 434282655 /nfs/dbraw/zinc/28/26/55/434282655.db2.gz CVKBTDSEZVYHAB-SFHVURJKSA-N 0 0 307.393 3.076 10 30 DGEERN CC1(C)OCC[C@@H]1Nc1cc(Br)c(C#N)cc1F ZINC000328390548 434282567 /nfs/dbraw/zinc/28/25/67/434282567.db2.gz NTBGMJJBYYAXBT-LBPRGKRZSA-N 0 0 313.170 3.439 10 30 DGEERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CCc2n[nH]nc2C1 ZINC000328946838 434333239 /nfs/dbraw/zinc/33/32/39/434333239.db2.gz BGMREFGRXGFDNG-BXUZGUMPSA-N 0 0 314.364 3.083 10 30 DGEERN Cc1cc([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)c(C)o1 ZINC000328635499 434290935 /nfs/dbraw/zinc/29/09/35/434290935.db2.gz UWNYLAMGHCDAHK-AXAPSJFSSA-N 0 0 317.389 3.425 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccc2c(c1)COC2 ZINC000328643955 434293143 /nfs/dbraw/zinc/29/31/43/434293143.db2.gz FOSYHHXWZMWRJW-ZWKOTPCHSA-N 0 0 324.380 3.337 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CCC1=O ZINC000328660688 434296503 /nfs/dbraw/zinc/29/65/03/434296503.db2.gz VURNBUWTCHNOPS-VWNJHIHFSA-N 0 0 316.401 3.264 10 30 DGEERN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](n2cccn2)C1 ZINC000328708411 434301196 /nfs/dbraw/zinc/30/11/96/434301196.db2.gz QIYXKMDFIQHEED-BBRMVZONSA-N 0 0 316.380 3.336 10 30 DGEERN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](n2cccn2)C1 ZINC000328695648 434301943 /nfs/dbraw/zinc/30/19/43/434301943.db2.gz KNFDETIPYLRCRY-PMPSAXMXSA-N 0 0 304.438 3.055 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000365985648 434317048 /nfs/dbraw/zinc/31/70/48/434317048.db2.gz ZHJNVIZTOAHVJU-AOIWGVFYSA-N 0 0 317.429 3.252 10 30 DGEERN Cc1cccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c1C ZINC000328841470 434317585 /nfs/dbraw/zinc/31/75/85/434317585.db2.gz PNBWAUFWFFBMSU-IAOVAPTHSA-N 0 0 302.418 3.436 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1(CCOCC)CCC1 ZINC000287258484 434318116 /nfs/dbraw/zinc/31/81/16/434318116.db2.gz KPRPCXLVDUFLMI-GOSISDBHSA-N 0 0 313.441 3.334 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328858873 434320750 /nfs/dbraw/zinc/32/07/50/434320750.db2.gz YLAYQSCPCNKOGS-RYUDHWBXSA-N 0 0 305.378 3.397 10 30 DGEERN C[C@@H]1c2ccsc2CCN1C(=O)NCc1noc(C2CC2)n1 ZINC000328911657 434328742 /nfs/dbraw/zinc/32/87/42/434328742.db2.gz GOXKYNXYZLPENQ-SECBINFHSA-N 0 0 318.402 3.042 10 30 DGEERN C=C(Cl)CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287315982 434333088 /nfs/dbraw/zinc/33/30/88/434333088.db2.gz JRSCBJRXNROZHN-SECBINFHSA-N 0 0 309.719 3.454 10 30 DGEERN C#CCC1(C(=O)N2CC=C(c3ccnn3C)CC2)CCCCC1 ZINC000286515657 434277462 /nfs/dbraw/zinc/27/74/62/434277462.db2.gz XVSATTBMWJXHFP-UHFFFAOYSA-N 0 0 311.429 3.010 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)CC(F)F ZINC000457817288 434363361 /nfs/dbraw/zinc/36/33/61/434363361.db2.gz XNESVPWNLITAIY-LBPRGKRZSA-N 0 0 315.360 3.358 10 30 DGEERN O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329213662 434374259 /nfs/dbraw/zinc/37/42/59/434374259.db2.gz JUTLLWMQRRGABG-RAIGVLPGSA-N 0 0 308.403 3.050 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000437993796 434379035 /nfs/dbraw/zinc/37/90/35/434379035.db2.gz OGZCLTNOTZLANF-GOEBONIOSA-N 0 0 308.466 3.435 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000438020907 434385000 /nfs/dbraw/zinc/38/50/00/434385000.db2.gz FVHXWLVIOPVLTB-OLZOCXBDSA-N 0 0 310.344 3.361 10 30 DGEERN CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3ccccc3C2=O)C1 ZINC000328986164 434339257 /nfs/dbraw/zinc/33/92/57/434339257.db2.gz GYIADWPYCOYHBV-SQWLQELKSA-N 0 0 301.386 3.346 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CSCc1ccncc1 ZINC000287392678 434350361 /nfs/dbraw/zinc/35/03/61/434350361.db2.gz PCLBARSEKFXNBA-SFHVURJKSA-N 0 0 324.449 3.066 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)Nc2ncc(Cl)cc2C)no1 ZINC000329619605 434442446 /nfs/dbraw/zinc/44/24/46/434442446.db2.gz MGWZZWHRSHVKOP-LLVKDONJSA-N 0 0 321.768 3.117 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3ccccc32)no1 ZINC000329332615 434393085 /nfs/dbraw/zinc/39/30/85/434393085.db2.gz WSHKVIFZCWHUHL-CABCVRRESA-N 0 0 312.373 3.116 10 30 DGEERN COc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1O ZINC000438076146 434394639 /nfs/dbraw/zinc/39/46/39/434394639.db2.gz RWYVZVDKQICNOS-CQSZACIVSA-N 0 0 310.353 3.427 10 30 DGEERN CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000358559902 434397054 /nfs/dbraw/zinc/39/70/54/434397054.db2.gz DWBNAIRLLLDXQL-GHMZBOCLSA-N 0 0 301.369 3.351 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000287581374 434399617 /nfs/dbraw/zinc/39/96/17/434399617.db2.gz XNTGKWFYFSOEEF-PKOBYXMFSA-N 0 0 319.404 3.304 10 30 DGEERN N#Cc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)s1 ZINC000329456479 434413411 /nfs/dbraw/zinc/41/34/11/434413411.db2.gz QCTOLYHJBQBCOY-AWEZNQCLSA-N 0 0 304.415 3.041 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1OC ZINC000287625351 434413950 /nfs/dbraw/zinc/41/39/50/434413950.db2.gz ZHQCKRWATGYXGC-INIZCTEOSA-N 0 0 323.392 3.068 10 30 DGEERN Cc1cncc(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000329644885 434448252 /nfs/dbraw/zinc/44/82/52/434448252.db2.gz APXFYFRLSKRVOT-QGZVFWFLSA-N 0 0 317.433 3.085 10 30 DGEERN C=CCC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OC)c1ccccc1 ZINC000295620487 434424897 /nfs/dbraw/zinc/42/48/97/434424897.db2.gz ZTRQRMIJTIQDCC-OKZBNKHCSA-N 0 0 317.429 3.252 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438162369 434426263 /nfs/dbraw/zinc/42/62/63/434426263.db2.gz YEAKFAFFUUEABJ-PMUMKWKESA-N 0 0 303.402 3.039 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000438255047 434439033 /nfs/dbraw/zinc/43/90/33/434439033.db2.gz MVZAPRPPDSRTJN-MRXNPFEDSA-N 0 0 317.414 3.372 10 30 DGEERN Cc1oc(C#N)cc1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000438240450 434439643 /nfs/dbraw/zinc/43/96/43/434439643.db2.gz OUNGDWKAOWFNJV-UHFFFAOYSA-N 0 0 301.249 3.187 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000450848502 434441644 /nfs/dbraw/zinc/44/16/44/434441644.db2.gz UOPBILLOIOJQRJ-YRGRVCCFSA-N 0 0 311.784 3.026 10 30 DGEERN C[C@H](NC(=O)N1CCO[C@@H](C2CCCCC2)C1)c1ccccn1 ZINC000329698044 434461425 /nfs/dbraw/zinc/46/14/25/434461425.db2.gz YRRSRZGVFLNNBZ-WMLDXEAASA-N 0 0 317.433 3.338 10 30 DGEERN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1sccc1C#N ZINC000366609837 434463908 /nfs/dbraw/zinc/46/39/08/434463908.db2.gz QHXROORPSLLUES-ZDUSSCGKSA-N 0 0 314.414 3.204 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000417627406 434476270 /nfs/dbraw/zinc/47/62/70/434476270.db2.gz PFQOUPCVZGYHQM-LLVKDONJSA-N 0 0 303.280 3.094 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)cc1F ZINC000417631190 434478736 /nfs/dbraw/zinc/47/87/36/434478736.db2.gz VOMDRPLUSWQRIY-NSHDSACASA-N 0 0 316.170 3.097 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000450947429 434499447 /nfs/dbraw/zinc/49/94/47/434499447.db2.gz NKPGDRZZPPWFEE-UHFFFAOYSA-N 0 0 312.417 3.125 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1nscc1Br ZINC000404753970 434518800 /nfs/dbraw/zinc/51/88/00/434518800.db2.gz ZAAGWVYYEVBKKJ-MRVPVSSYSA-N 0 0 303.225 3.380 10 30 DGEERN C=CCCCCCCNC(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000367893957 434560887 /nfs/dbraw/zinc/56/08/87/434560887.db2.gz ALGMOMJXTWQHRX-WMZOPIPTSA-N 0 0 324.465 3.102 10 30 DGEERN C=CCCCCCCNC(=O)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000367893954 434560901 /nfs/dbraw/zinc/56/09/01/434560901.db2.gz 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/nfs/dbraw/zinc/56/79/83/434567983.db2.gz PVJTZNDEYVQNRO-MRXNPFEDSA-N 0 0 310.422 3.169 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000408339550 434563968 /nfs/dbraw/zinc/56/39/68/434563968.db2.gz QHMDNCHYYNPICD-WFASDCNBSA-N 0 0 305.381 3.146 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000408330182 434563998 /nfs/dbraw/zinc/56/39/98/434563998.db2.gz LHPUNNKTAHMZIS-MLGOLLRUSA-N 0 0 307.397 3.469 10 30 DGEERN CC[C@H](C)n1ncc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1C ZINC000408400665 434570470 /nfs/dbraw/zinc/57/04/70/434570470.db2.gz VYLWQMLKPURSCQ-WFASDCNBSA-N 0 0 302.422 3.317 10 30 DGEERN C=C(C)[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000368380825 434572981 /nfs/dbraw/zinc/57/29/81/434572981.db2.gz PFCCTTUJXPPVCH-ZENOOKHLSA-N 0 0 322.355 3.155 10 30 DGEERN C[C@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccccc1C#N ZINC000368458312 434574160 /nfs/dbraw/zinc/57/41/60/434574160.db2.gz LMEFVMYPJWVLIP-ZDUSSCGKSA-N 0 0 321.380 3.322 10 30 DGEERN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(C#N)n1C ZINC000451785056 434575903 /nfs/dbraw/zinc/57/59/03/434575903.db2.gz OPIHWLORNMEJJQ-HNNXBMFYSA-N 0 0 311.385 3.129 10 30 DGEERN N#C[C@H]1CN(Cc2csc(Cl)c2Cl)CCN1C1CC1 ZINC000368439389 434575455 /nfs/dbraw/zinc/57/54/55/434575455.db2.gz UFQHCOCFATUWKO-NSHDSACASA-N 0 0 316.257 3.227 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nc(C)c(Br)s1 ZINC000452400481 434595843 /nfs/dbraw/zinc/59/58/43/434595843.db2.gz URVFFVYNHQSOMO-QMMMGPOBSA-N 0 0 317.252 3.433 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000409735951 434619011 /nfs/dbraw/zinc/61/90/11/434619011.db2.gz FLWATNUQRUAJLK-KRWDZBQOSA-N 0 0 322.449 3.494 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000452486685 434625121 /nfs/dbraw/zinc/62/51/21/434625121.db2.gz QNUORNUBLKAKBM-VQIMIIECSA-N 0 0 317.404 3.059 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000452486684 434625326 /nfs/dbraw/zinc/62/53/26/434625326.db2.gz QNUORNUBLKAKBM-QFBILLFUSA-N 0 0 317.404 3.059 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC(C=C)CC1 ZINC000424116334 434627645 /nfs/dbraw/zinc/62/76/45/434627645.db2.gz ADTWVHOEYIXORI-CQSZACIVSA-N 0 0 304.463 3.435 10 30 DGEERN C=CCc1cc(C(=O)N2CC[C@H]2C2CC2)cc(OC)c1OC ZINC000452494494 434627854 /nfs/dbraw/zinc/62/78/54/434627854.db2.gz BIBDBMILFBHLJF-HNNXBMFYSA-N 0 0 301.386 3.057 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1cscn1 ZINC000424121212 434627896 /nfs/dbraw/zinc/62/78/96/434627896.db2.gz HOYUJCNTRRDGNG-GFCCVEGCSA-N 0 0 321.475 3.125 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)CC(F)(F)F ZINC000424131817 434630894 /nfs/dbraw/zinc/63/08/94/434630894.db2.gz WYSNSCOTEKAXKE-SECBINFHSA-N 0 0 306.357 3.031 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@@](C)(OC)C1 ZINC000424131128 434630947 /nfs/dbraw/zinc/63/09/47/434630947.db2.gz VTPQSRHEVHFWML-CZUORRHYSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(CC)C[C@@H]1CCCO1 ZINC000424123994 434631494 /nfs/dbraw/zinc/63/14/94/434631494.db2.gz 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/nfs/dbraw/zinc/65/65/78/434656578.db2.gz YSZYYKFMEIPPHF-UHFFFAOYSA-N 0 0 304.316 3.352 10 30 DGEERN C=CCC1(c2nc(Cc3cccc(F)c3)no2)CCOCC1 ZINC000424216454 434658366 /nfs/dbraw/zinc/65/83/66/434658366.db2.gz ZKDZBTFMIRCHPQ-UHFFFAOYSA-N 0 0 302.349 3.424 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CCCCC1 ZINC000410621508 434661836 /nfs/dbraw/zinc/66/18/36/434661836.db2.gz UCEYTXMPZROZHR-BRWVUGGUSA-N 0 0 321.461 3.308 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000459689604 434665644 /nfs/dbraw/zinc/66/56/44/434665644.db2.gz GOYIXPIWEFORCW-SNVBAGLBSA-N 0 0 311.451 3.062 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000424249487 434665700 /nfs/dbraw/zinc/66/57/00/434665700.db2.gz OYLVZLOLQSQVKC-AVGNSLFASA-N 0 0 322.503 3.116 10 30 DGEERN CCC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)(C)C ZINC000452661233 434670808 /nfs/dbraw/zinc/67/08/08/434670808.db2.gz JKEOLEUNXFHJNH-LBPRGKRZSA-N 0 0 321.446 3.325 10 30 DGEERN C=CCn1cc(CN[C@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000424291975 434681245 /nfs/dbraw/zinc/68/12/45/434681245.db2.gz FSNDYGJJTQRHQB-HNNXBMFYSA-N 0 0 318.808 3.121 10 30 DGEERN C=CCn1cc(CN[C@@H]2CCCOc3cc(C)c(C)cc32)nn1 ZINC000424300377 434685364 /nfs/dbraw/zinc/68/53/64/434685364.db2.gz XKGDIMYTFVIUCE-QGZVFWFLSA-N 0 0 312.417 3.084 10 30 DGEERN C=C(C)CCNC(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000452720329 434689238 /nfs/dbraw/zinc/68/92/38/434689238.db2.gz WJASSYMBJCTPGB-UHFFFAOYSA-N 0 0 309.793 3.394 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440852527 434748569 /nfs/dbraw/zinc/74/85/69/434748569.db2.gz IEQDQCCPOSPKRQ-DOTOQJQBSA-N 0 0 312.417 3.115 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1oc(C2CC2)nc1C ZINC000411059530 434706120 /nfs/dbraw/zinc/70/61/20/434706120.db2.gz FLFUCDUPJUCZTK-UHFFFAOYSA-N 0 0 309.325 3.187 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(Cl)cc1COC ZINC000424529996 434733671 /nfs/dbraw/zinc/73/36/71/434733671.db2.gz GOHWVOVEBMGOES-ZDUSSCGKSA-N 0 0 322.836 3.487 10 30 DGEERN C=CCOCCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000371637413 434733788 /nfs/dbraw/zinc/73/37/88/434733788.db2.gz IUPZIXNMSILHCF-HNNXBMFYSA-N 0 0 320.458 3.013 10 30 DGEERN C=CCC1(C(=O)NCCc2c[nH]c3ccccc23)CCOCC1 ZINC000424531252 434734021 /nfs/dbraw/zinc/73/40/21/434734021.db2.gz IGTXSNIVYRDUSW-UHFFFAOYSA-N 0 0 312.413 3.200 10 30 DGEERN C=CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000460042315 434740024 /nfs/dbraw/zinc/74/00/24/434740024.db2.gz DQPKXVVLOIOIKX-QGZVFWFLSA-N 0 0 314.429 3.001 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nc(CC)no1 ZINC000411195024 434741947 /nfs/dbraw/zinc/74/19/47/434741947.db2.gz RWYZVSIWAAJKHR-LBPRGKRZSA-N 0 0 316.361 3.289 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(OCC)c(F)c2)CCOCC1 ZINC000424652529 434769168 /nfs/dbraw/zinc/76/91/68/434769168.db2.gz QSJZRJVQCIIDSX-UHFFFAOYSA-N 0 0 321.392 3.214 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2cc(F)ccc2OC)CCOCC1 ZINC000424609952 434757816 /nfs/dbraw/zinc/75/78/16/434757816.db2.gz 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/nfs/dbraw/zinc/04/67/54/435046754.db2.gz BMAFKKLGNGZEGX-SFHVURJKSA-N 0 0 317.429 3.265 10 30 DGEERN CCOc1cc(CC#N)c(I)cc1CC ZINC000575697056 435046867 /nfs/dbraw/zinc/04/68/67/435046867.db2.gz TUFFKMYFSXNMCJ-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN CSc1ccc(I)c(CC#N)c1C ZINC000575709795 435049029 /nfs/dbraw/zinc/04/90/29/435049029.db2.gz SABWNLAGOCHGCE-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN COC(=O)c1c(OC(F)(F)F)cc(F)cc1OC(F)(F)F ZINC000575711288 435050711 /nfs/dbraw/zinc/05/07/11/435050711.db2.gz VGRCAHYWPJLTRA-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1cccc(C)c1C ZINC000575743265 435051290 /nfs/dbraw/zinc/05/12/90/435051290.db2.gz GLUZRRDPJLQBRU-VYDXJSESSA-N 0 0 302.418 3.255 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@H]1CCCc2sccc21 ZINC000575814764 435053474 /nfs/dbraw/zinc/05/34/74/435053474.db2.gz BOIHFDWDHNRPHK-AWEZNQCLSA-N 0 0 320.458 3.104 10 30 DGEERN Cc1cccnc1[C@@H](NC(=O)Cc1cccc(C#N)c1)C(C)C ZINC000531385569 435090431 /nfs/dbraw/zinc/09/04/31/435090431.db2.gz NFDAQAGRRHUDBT-SFHVURJKSA-N 0 0 307.397 3.318 10 30 DGEERN Cc1nnc(-c2cccc(C(=O)N[C@@](C)(C#N)CC(C)C)c2)o1 ZINC000531647700 435107047 /nfs/dbraw/zinc/10/70/47/435107047.db2.gz ULOXJFUEQJXZNZ-QGZVFWFLSA-N 0 0 312.373 3.103 10 30 DGEERN C=C(C)COCCNC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000474796946 435160113 /nfs/dbraw/zinc/16/01/13/435160113.db2.gz XCLMBKGNPZWEBI-KRWDZBQOSA-N 0 0 320.408 3.135 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000493445579 435171097 /nfs/dbraw/zinc/17/10/97/435171097.db2.gz XVPCNQVHEXWBSA-HZPDHXFCSA-N 0 0 323.820 3.158 10 30 DGEERN CC[C@@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000475693040 435208797 /nfs/dbraw/zinc/20/87/97/435208797.db2.gz HTYGWDSPDDXCGT-DLOVCJGASA-N 0 0 312.291 3.107 10 30 DGEERN N#Cc1cnccc1Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000561320880 435211783 /nfs/dbraw/zinc/21/17/83/435211783.db2.gz QKMWULVNUZTAAL-QZTJIDSGSA-N 0 0 309.369 3.379 10 30 DGEERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCC2(C#N)CC2)o1 ZINC000562394949 435259809 /nfs/dbraw/zinc/25/98/09/435259809.db2.gz PQYSSKAYKXUWIC-GXTWGEPZSA-N 0 0 301.390 3.374 10 30 DGEERN C=CCCCCCNC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000563353859 435266658 /nfs/dbraw/zinc/26/66/58/435266658.db2.gz AKQYNLDGROONDX-QGZVFWFLSA-N 0 0 317.429 3.259 10 30 DGEERN C=CCCOCCCCC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000563400004 435268461 /nfs/dbraw/zinc/26/84/61/435268461.db2.gz DUEDXSZOQYETMH-UHFFFAOYSA-N 0 0 322.355 3.216 10 30 DGEERN C=C(CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000477853038 435280830 /nfs/dbraw/zinc/28/08/30/435280830.db2.gz XMZGHTDHGVAAEV-AWEZNQCLSA-N 0 0 324.380 3.489 10 30 DGEERN C=CCCCCCNC(=O)c1cc2c(C)nn(C)c2nc1C ZINC000566420025 435286782 /nfs/dbraw/zinc/28/67/82/435286782.db2.gz HPDZZPNWYVNSRV-UHFFFAOYSA-N 0 0 300.406 3.061 10 30 DGEERN C=CCC[C@H](NC(=O)c1coc2ccc(F)cc12)C(=O)OCC ZINC000566282048 435287134 /nfs/dbraw/zinc/28/71/34/435287134.db2.gz JBPROTLSJYXPPT-AWEZNQCLSA-N 0 0 319.332 3.200 10 30 DGEERN CC(C)Sc1cc(NC(=O)Oc2ccccc2)ncc1C#N ZINC000584601209 435291130 /nfs/dbraw/zinc/29/11/30/435291130.db2.gz ZZIVVTAMIMWXKE-UHFFFAOYSA-N 0 0 313.382 4.065 10 30 DGEERN CC(C)(C)OC(=O)c1ccccc1NC(=O)NCC1(C#N)CC1 ZINC000567257437 435303512 /nfs/dbraw/zinc/30/35/12/435303512.db2.gz XEKGIMSLCAYUOI-UHFFFAOYSA-N 0 0 315.373 3.067 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000534922140 435305123 /nfs/dbraw/zinc/30/51/23/435305123.db2.gz MYQMLPSMJGIZRI-UHFFFAOYSA-N 0 0 305.259 3.153 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)c1nc2ccccc2s1 ZINC000562689921 435262736 /nfs/dbraw/zinc/26/27/36/435262736.db2.gz GFDMYIXEMJJTGA-YPMHNXCESA-N 0 0 302.399 3.240 10 30 DGEERN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000562905008 435264099 /nfs/dbraw/zinc/26/40/99/435264099.db2.gz HBXAJJLLFOQKLX-NVXWUHKLSA-N 0 0 324.428 3.340 10 30 DGEERN C=CCCCCCNC(=O)NCc1cccc(NC(C)=O)c1 ZINC000567403726 435315636 /nfs/dbraw/zinc/31/56/36/435315636.db2.gz RHXFYPOAZAWGJC-UHFFFAOYSA-N 0 0 303.406 3.191 10 30 DGEERN C=CCCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000479596724 435342956 /nfs/dbraw/zinc/34/29/56/435342956.db2.gz ZYXZQRKQHBFNFD-HNNXBMFYSA-N 0 0 303.402 3.181 10 30 DGEERN C=CCCCCCNC(=O)Cn1c(C)nc2cc(F)c(F)cc21 ZINC000514946534 435452085 /nfs/dbraw/zinc/45/20/85/435452085.db2.gz FOZYJMZLRUYIGL-UHFFFAOYSA-N 0 0 321.371 3.486 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000568448171 435438922 /nfs/dbraw/zinc/43/89/22/435438922.db2.gz YRRUKNAYPCRHRP-SJORKVTESA-N 0 0 308.429 3.352 10 30 DGEERN CC#CCCNC(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000568506271 435442770 /nfs/dbraw/zinc/44/27/70/435442770.db2.gz VMNBSGQOAZMVNP-LSDHHAIUSA-N 0 0 324.428 3.302 10 30 DGEERN C=CCOc1ccc(CNc2nccc(N(C)C)n2)cc1Cl ZINC000538506954 435504135 /nfs/dbraw/zinc/50/41/35/435504135.db2.gz ONTZUHHOMIXNQG-UHFFFAOYSA-N 0 0 318.808 3.373 10 30 DGEERN C=CCN1CC[C@H](Nc2c3c(ccc2Cl)CC(C)(C)O3)C1=O ZINC000538635582 435508332 /nfs/dbraw/zinc/50/83/32/435508332.db2.gz BZTOCOLVJNDQKF-ZDUSSCGKSA-N 0 0 320.820 3.252 10 30 DGEERN CC#CCCNC(=O)N(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000483417950 435518609 /nfs/dbraw/zinc/51/86/09/435518609.db2.gz NMMBXWKKERHWST-QGZVFWFLSA-N 0 0 300.402 3.127 10 30 DGEERN CC#CCCNC(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000483410090 435518713 /nfs/dbraw/zinc/51/87/13/435518713.db2.gz BMMMBLZAVCUDJF-UHFFFAOYSA-N 0 0 314.429 3.073 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCCC[C@H](CCOC)C1 ZINC000569298713 435520051 /nfs/dbraw/zinc/52/00/51/435520051.db2.gz DSNGLEYWRDXHRF-OAHLLOKOSA-N 0 0 306.454 3.060 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000569369716 435527799 /nfs/dbraw/zinc/52/77/99/435527799.db2.gz FDKAUFQRRXQWOC-SMDDNHRTSA-N 0 0 302.740 3.417 10 30 DGEERN C=CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)c1nc(C(=O)OCC)cs1 ZINC000483963829 435536233 /nfs/dbraw/zinc/53/62/33/435536233.db2.gz SJBSIHQZABOZEI-VXGBXAGGSA-N 0 0 322.430 3.131 10 30 DGEERN C[C@H](c1cccc(C#N)c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000484544337 435548502 /nfs/dbraw/zinc/54/85/02/435548502.db2.gz LBKXZGCXUFBHLO-OXQOHEQNSA-N 0 0 322.408 3.399 10 30 DGEERN CC(C)(C#N)CC[S@](=O)Cc1nccn1Cc1ccccc1 ZINC000570140282 435592189 /nfs/dbraw/zinc/59/21/89/435592189.db2.gz DEOCYLMQXBQDKJ-QFIPXVFZSA-N 0 0 315.442 3.120 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc(CCCC)[nH]c1C(=O)OCC ZINC000485669678 435574904 /nfs/dbraw/zinc/57/49/04/435574904.db2.gz PMDDQHSMGCZNEY-GFCCVEGCSA-N 0 0 321.421 3.470 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2cc3[nH]cnc3c(C)c2)no1 ZINC000570316303 435609217 /nfs/dbraw/zinc/60/92/17/435609217.db2.gz OACYUFCAZIJGHV-QGZVFWFLSA-N 0 0 312.373 3.402 10 30 DGEERN Cc1c(C(=O)N2CCC(C)(C#N)CC2)cnn1-c1ccc(C)cc1 ZINC000540957868 435629854 /nfs/dbraw/zinc/62/98/54/435629854.db2.gz XSYKKZQRIDWZOO-UHFFFAOYSA-N 0 0 322.412 3.255 10 30 DGEERN C=CCn1c(SCc2coc(C)n2)nnc1-c1ccccn1 ZINC000517668345 435606557 /nfs/dbraw/zinc/60/65/57/435606557.db2.gz KBEYTSFPSYCLHH-UHFFFAOYSA-N 0 0 313.386 3.115 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C)cc1SC ZINC000570677712 435640705 /nfs/dbraw/zinc/64/07/05/435640705.db2.gz BKJNOVHHGKIBDI-ZFWWWQNUSA-N 0 0 320.458 3.107 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)N1CCC(CC#N)CC1 ZINC000541913476 435645457 /nfs/dbraw/zinc/64/54/57/435645457.db2.gz MKGXUQGSTPJASB-UHFFFAOYSA-N 0 0 321.808 3.184 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000519088981 435670152 /nfs/dbraw/zinc/67/01/52/435670152.db2.gz BBQIPRDMFRFERU-XZJROXQQSA-N 0 0 324.371 3.101 10 30 DGEERN C[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000152275255 300107818 /nfs/dbraw/zinc/10/78/18/300107818.db2.gz AMTVKEIQBLIROV-XJKSGUPXSA-N 0 0 316.376 3.198 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC1(C)C ZINC000491293583 435726636 /nfs/dbraw/zinc/72/66/36/435726636.db2.gz HNAKPYLDRJLKSU-CQSZACIVSA-N 0 0 317.389 3.339 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000571492148 435710085 /nfs/dbraw/zinc/71/00/85/435710085.db2.gz FVKUNGAKLGJFPK-UHFFFAOYSA-N 0 0 302.418 3.296 10 30 DGEERN C=CCCc1ccccc1NCc1nnnn1Cc1ccccc1 ZINC000572129182 435785916 /nfs/dbraw/zinc/78/59/16/435785916.db2.gz WYQOQTVDMYUAJU-UHFFFAOYSA-N 0 0 319.412 3.452 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(-n2nc(C)cc2C)nc1 ZINC000572852433 435875581 /nfs/dbraw/zinc/87/55/81/435875581.db2.gz GENXKTHXWJCCAR-UHFFFAOYSA-N 0 0 312.417 3.360 10 30 DGEERN CC1(c2cc(NC(=O)N3CCC(CC#N)CC3)no2)CCCC1 ZINC000572940282 435882374 /nfs/dbraw/zinc/88/23/74/435882374.db2.gz SZADBHIBVSCBEF-UHFFFAOYSA-N 0 0 316.405 3.664 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000129016719 301074490 /nfs/dbraw/zinc/07/44/90/301074490.db2.gz GTDBXUPBHSSAFF-CVEARBPZSA-N 0 0 300.427 3.367 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000129016498 301074564 /nfs/dbraw/zinc/07/45/64/301074564.db2.gz GTDBXUPBHSSAFF-JKSUJKDBSA-N 0 0 300.427 3.367 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@H]1c1nccs1 ZINC000328812110 303511589 /nfs/dbraw/zinc/51/15/89/303511589.db2.gz BFLXIQXEFHFNCH-HZSPNIEDSA-N 0 0 321.446 3.152 10 30 DGEERN N#Cc1nnc2ccccc2c1Nc1cccc(CCCO)c1 ZINC000543800964 314158786 /nfs/dbraw/zinc/15/87/86/314158786.db2.gz BYWAURCYDWYWPW-UHFFFAOYSA-N 0 0 304.353 3.170 10 30 DGEERN N#Cc1cccc(Cc2nc([C@@H]3CCOc4ccccc43)no2)c1 ZINC000545687112 314262271 /nfs/dbraw/zinc/26/22/71/314262271.db2.gz AXIXWPGOAABIOA-MRXNPFEDSA-N 0 0 317.348 3.446 10 30 DGEERN C[C@@]1(NC(=O)Cc2cccc(C#N)c2)CCCc2ccccc21 ZINC000545895930 314273224 /nfs/dbraw/zinc/27/32/24/314273224.db2.gz LBGPPRWNOGGXKJ-HXUWFJFHSA-N 0 0 304.393 3.469 10 30 DGEERN N#Cc1cc(Cl)cc(Br)c1NC[C@H](O)C1CC1 ZINC000547760648 314392831 /nfs/dbraw/zinc/39/28/31/314392831.db2.gz QRTOYUKLFFEUAU-NSHDSACASA-N 0 0 315.598 3.157 10 30 DGEERN C[C@H](Cc1ccccc1C(F)(F)F)Nc1ccncc1C#N ZINC000548491174 314452707 /nfs/dbraw/zinc/45/27/07/314452707.db2.gz HBGGBRMSTNJUBX-LLVKDONJSA-N 0 0 305.303 3.437 10 30 DGEERN Cc1nsc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000553483106 314645623 /nfs/dbraw/zinc/64/56/23/314645623.db2.gz PEMMQFJIIXABHA-GFCCVEGCSA-N 0 0 321.446 3.271 10 30 DGEERN N#Cc1cc(NC(=O)c2csc(C(F)(F)F)n2)ccc1F ZINC000189338115 323434545 /nfs/dbraw/zinc/43/45/45/323434545.db2.gz OAKMXMDVZOMWIE-UHFFFAOYSA-N 0 0 315.251 3.425 10 30 DGEERN N#Cc1ccccc1OCC(=O)NCc1ccc(C2CC2)cc1 ZINC000191197019 323445421 /nfs/dbraw/zinc/44/54/21/323445421.db2.gz QTHJIRDZRXRNPF-UHFFFAOYSA-N 0 0 306.365 3.131 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2nnnn2c1 ZINC000530507497 331501761 /nfs/dbraw/zinc/50/17/61/331501761.db2.gz FBZOCIPCPQPHDV-UHFFFAOYSA-N 0 0 321.384 3.229 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C(N)=O)n1 ZINC000530511383 331505966 /nfs/dbraw/zinc/50/59/66/331505966.db2.gz DUJYAPMCSDVFEJ-UHFFFAOYSA-N 0 0 323.396 3.285 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000558997604 331965376 /nfs/dbraw/zinc/96/53/76/331965376.db2.gz PHQMXZKDSMRPRW-QGZVFWFLSA-N 0 0 324.428 3.136 10 30 DGEERN C=CCCCCCNC(=O)c1cnn(C2CCOCC2)c1C ZINC000569504594 332110593 /nfs/dbraw/zinc/11/05/93/332110593.db2.gz WUNGAXKLQJVPEU-UHFFFAOYSA-N 0 0 305.422 3.019 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000425587191 335107373 /nfs/dbraw/zinc/10/73/73/335107373.db2.gz RSNJNYUHFJSLEC-RBOXIYTFSA-N 0 0 324.371 3.258 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000354381867 332389196 /nfs/dbraw/zinc/38/91/96/332389196.db2.gz GBBSTMLNWPJILR-WFASDCNBSA-N 0 0 314.212 3.424 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2OC)cc1 ZINC000293771804 335113313 /nfs/dbraw/zinc/11/33/13/335113313.db2.gz YQFUCHUMYGSVCJ-SJORKVTESA-N 0 0 303.402 3.073 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000248641504 332622594 /nfs/dbraw/zinc/62/25/94/332622594.db2.gz XTDPKDWZGWCTSM-DZKIICNBSA-N 0 0 303.402 3.255 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2cscn2)c1 ZINC000563881071 335114385 /nfs/dbraw/zinc/11/43/85/335114385.db2.gz DEFUFQMFILJACI-HOCLYGCPSA-N 0 0 314.410 3.131 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2cc3c([nH]2)CCOC3)c1 ZINC000562972559 332996576 /nfs/dbraw/zinc/99/65/76/332996576.db2.gz MMISSNUQHJDSSU-UHFFFAOYSA-N 0 0 312.369 3.295 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ncccc1CSC ZINC000361672299 333000971 /nfs/dbraw/zinc/00/09/71/333000971.db2.gz GDIMTZDIABJJEA-UHFFFAOYSA-N 0 0 304.337 3.135 10 30 DGEERN C=CC[C@H](C(=O)NCc1cccnc1N(C)C)c1ccccc1 ZINC000188241550 333361732 /nfs/dbraw/zinc/36/17/32/333361732.db2.gz JBGXEXNAPHOYGS-KRWDZBQOSA-N 0 0 309.413 3.124 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000188389948 333365251 /nfs/dbraw/zinc/36/52/51/333365251.db2.gz GPILFDGRUGPKNJ-ZDUSSCGKSA-N 0 0 310.401 3.315 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000188503156 333368897 /nfs/dbraw/zinc/36/88/97/333368897.db2.gz PQZXSGZLHSKTFM-PXAZEXFGSA-N 0 0 308.372 3.262 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188555864 333374494 /nfs/dbraw/zinc/37/44/94/333374494.db2.gz QNKIXZZPGXHTJX-JFIYKMOQSA-N 0 0 322.399 3.429 10 30 DGEERN C=CCn1c(C)nnc1SCC(=O)Cc1ccc(Cl)cc1 ZINC000563113691 333391871 /nfs/dbraw/zinc/39/18/71/333391871.db2.gz UCXDBOAEVIFFDI-UHFFFAOYSA-N 0 0 321.833 3.330 10 30 DGEERN C=CCC1(C(=O)N(C)c2ccc(OC)c(OC)c2)CCOCC1 ZINC000520219487 335937392 /nfs/dbraw/zinc/93/73/92/335937392.db2.gz FYLZRGUSPYBIGX-UHFFFAOYSA-N 0 0 319.401 3.040 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000521229462 335999073 /nfs/dbraw/zinc/99/90/73/335999073.db2.gz QMXPKTBSRJYRJW-VGWMRTNUSA-N 0 0 308.466 3.482 10 30 DGEERN C=CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000532504952 336252648 /nfs/dbraw/zinc/25/26/48/336252648.db2.gz OPCSXSOZRNCERB-OAHLLOKOSA-N 0 0 311.341 3.427 10 30 DGEERN COc1cc(CN(C)CC#Cc2ccc(F)cc2)cc(OC)c1 ZINC000532606315 336257397 /nfs/dbraw/zinc/25/73/97/336257397.db2.gz BTAJWTNZXJWKCL-UHFFFAOYSA-N 0 0 313.372 3.326 10 30 DGEERN C=CCCCCCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000563969552 336389022 /nfs/dbraw/zinc/38/90/22/336389022.db2.gz YSMPZZDZGPAMNJ-UHFFFAOYSA-N 0 0 311.307 3.448 10 30 DGEERN N#CCC[C@@H](NC(=O)c1cn2ccnc2s1)c1ccccc1 ZINC000188711808 337030107 /nfs/dbraw/zinc/03/01/07/337030107.db2.gz UCDCOJDSVGLZMY-CYBMUJFWSA-N 0 0 310.382 3.171 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)N(CC#N)c2ccccc2)c1 ZINC000170948011 337085613 /nfs/dbraw/zinc/08/56/13/337085613.db2.gz JFCPNZNTBQNLOO-ROUUACIJSA-N 0 0 306.365 3.355 10 30 DGEERN C=CC[C@@H](C)NC(=O)NCCc1ccccc1Br ZINC000582747667 337132908 /nfs/dbraw/zinc/13/29/08/337132908.db2.gz FFLFYTYNGIZYGO-LLVKDONJSA-N 0 0 311.223 3.255 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C)n1 ZINC000582772207 337144042 /nfs/dbraw/zinc/14/40/42/337144042.db2.gz QCAPOSLNSXDCHW-QGZVFWFLSA-N 0 0 309.413 3.377 10 30 DGEERN C/C(=C\c1ccccc1)CN(C)S(=O)(=O)CC1(C#N)CCC1 ZINC000583111925 337238416 /nfs/dbraw/zinc/23/84/16/337238416.db2.gz MNAIYBQDCLHYNR-RVDMUPIBSA-N 0 0 318.442 3.045 10 30 DGEERN C=C1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000583218032 337276136 /nfs/dbraw/zinc/27/61/36/337276136.db2.gz OSRFKLQVHFDXGL-CQSZACIVSA-N 0 0 310.401 3.056 10 30 DGEERN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCOCC1 ZINC000583219535 337277534 /nfs/dbraw/zinc/27/75/34/337277534.db2.gz ZUBWCQHSIDYVJO-UHFFFAOYSA-N 0 0 318.465 3.204 10 30 DGEERN CCOC(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1 ZINC000584599077 337370625 /nfs/dbraw/zinc/37/06/25/337370625.db2.gz WCMBEQRHTZLIIK-GZTJUZNOSA-N 0 0 313.313 3.218 10 30 DGEERN N#Cc1c(F)cc(Br)cc1OC1CCOCC1 ZINC000584599533 337370708 /nfs/dbraw/zinc/37/07/08/337370708.db2.gz GXEIMRZJEXHFDM-UHFFFAOYSA-N 0 0 300.127 3.018 10 30 DGEERN CC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1ccccc1Br ZINC000584608727 337372023 /nfs/dbraw/zinc/37/20/23/337372023.db2.gz RUGSBWKQGKBLLW-ONGXEEELSA-N 0 0 300.152 3.035 10 30 DGEERN COC(=O)c1cc([C@H](C#N)c2ccc(Cl)cc2)ccc1N ZINC000584597110 337374339 /nfs/dbraw/zinc/37/43/39/337374339.db2.gz AWLNSBUBLUCQJD-CQSZACIVSA-N 0 0 300.745 3.364 10 30 DGEERN CC(C)[C@@H](C)OS(=O)(=O)c1ccc(Br)cc1 ZINC000584635595 337375370 /nfs/dbraw/zinc/37/53/70/337375370.db2.gz SKBBNURIODFOKL-SECBINFHSA-N 0 0 307.209 3.199 10 30 DGEERN C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)C1CCOCC1 ZINC000161204471 337571820 /nfs/dbraw/zinc/57/18/20/337571820.db2.gz NJNRPQGWSWDEJK-WMLDXEAASA-N 0 0 300.402 3.210 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000537247187 337927344 /nfs/dbraw/zinc/92/73/44/337927344.db2.gz AJMLRIGZBZYRLG-OAHLLOKOSA-N 0 0 317.433 3.390 10 30 DGEERN C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@@]1(C)CCCO1 ZINC000516248203 338008788 /nfs/dbraw/zinc/00/87/88/338008788.db2.gz NMEYZGUWKKPKBE-QGZVFWFLSA-N 0 0 314.389 3.242 10 30 DGEERN C=CCC[C@H](NC(=O)c1sc(C(C)C)nc1C)C(=O)OCC ZINC000516251693 338008896 /nfs/dbraw/zinc/00/88/96/338008896.db2.gz QGHDSTCSXOVIMX-LBPRGKRZSA-N 0 0 324.446 3.203 10 30 DGEERN C=CCCCCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000516489172 338012577 /nfs/dbraw/zinc/01/25/77/338012577.db2.gz XSXXAJVQKRXCGC-UHFFFAOYSA-N 0 0 304.419 3.020 10 30 DGEERN C=C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000501895088 340090187 /nfs/dbraw/zinc/09/01/87/340090187.db2.gz YBYOGFZHWUOSDD-UHFFFAOYSA-N 0 0 320.241 3.475 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCOC[C@H]1C1CC1 ZINC000505017288 340158960 /nfs/dbraw/zinc/15/89/60/340158960.db2.gz UBJYJCQPQAMIMB-KRWDZBQOSA-N 0 0 300.402 3.448 10 30 DGEERN C=C(C)CCN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000505463261 340169061 /nfs/dbraw/zinc/16/90/61/340169061.db2.gz ZTHXHSJYJGXHJK-MRXNPFEDSA-N 0 0 306.793 3.463 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C ZINC000507921464 340235912 /nfs/dbraw/zinc/23/59/12/340235912.db2.gz IPULPCBAHLOHBV-CYBMUJFWSA-N 0 0 318.396 3.497 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC000508492238 340244734 /nfs/dbraw/zinc/24/47/34/340244734.db2.gz IRQNEXDNSZWOPC-ZQIUZPCESA-N 0 0 324.428 3.233 10 30 DGEERN C=CCCCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C ZINC000508537500 340246289 /nfs/dbraw/zinc/24/62/89/340246289.db2.gz QOAAVXSWSCVYDQ-UHFFFAOYSA-N 0 0 314.433 3.413 10 30 DGEERN C=CCCCN(C)c1nnc(COc2ccc(C)cc2)n1C ZINC000508554120 340246410 /nfs/dbraw/zinc/24/64/10/340246410.db2.gz RLNMLHHFCNPPLO-UHFFFAOYSA-N 0 0 300.406 3.105 10 30 DGEERN C=CCCCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C ZINC000508600073 340247495 /nfs/dbraw/zinc/24/74/95/340247495.db2.gz GFIZMYIHARJJLU-ZDUSSCGKSA-N 0 0 318.396 3.497 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCSC(C)(C)C1 ZINC000508887368 340255162 /nfs/dbraw/zinc/25/51/62/340255162.db2.gz IGPCFZBCSKEWAF-UHFFFAOYSA-N 0 0 308.495 3.385 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000508885660 340255214 /nfs/dbraw/zinc/25/52/14/340255214.db2.gz RYWHKMRIGLEUBZ-GFCCVEGCSA-N 0 0 316.371 3.441 10 30 DGEERN C=CCn1c(N2CCC[C@@H]([C@@H]3CCOC3)C2)nnc1C(C)(C)C ZINC000508908906 340255575 /nfs/dbraw/zinc/25/55/75/340255575.db2.gz WPURNAMYQBGGBT-HUUCEWRRSA-N 0 0 318.465 3.015 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCS[C@H](CC)C1 ZINC000509002830 340257792 /nfs/dbraw/zinc/25/77/92/340257792.db2.gz UBSDGVYZZKHDMZ-CQSZACIVSA-N 0 0 308.495 3.385 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCC1(C(F)(F)F)CC1 ZINC000510320989 340295811 /nfs/dbraw/zinc/29/58/11/340295811.db2.gz GKHNETYOYIRETO-UHFFFAOYSA-N 0 0 316.323 3.362 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000512617735 340369186 /nfs/dbraw/zinc/36/91/86/340369186.db2.gz GODBHMMLQZUDDG-RTWAWAEBSA-N 0 0 321.420 3.488 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000186033349 340507605 /nfs/dbraw/zinc/50/76/05/340507605.db2.gz BXMRPEOVVMIMAM-UHFFFAOYSA-N 0 0 317.408 3.468 10 30 DGEERN CC(C)c1noc2ncc(C(=O)N[C@](C)(C#N)C(C)C)cc21 ZINC000192844327 340570296 /nfs/dbraw/zinc/57/02/96/340570296.db2.gz JUWURWABPGLTNX-MRXNPFEDSA-N 0 0 300.362 3.014 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC000542699111 341017833 /nfs/dbraw/zinc/01/78/33/341017833.db2.gz GFCMRIVRBRUXGG-RYRKJORJSA-N 0 0 316.445 3.182 10 30 DGEERN CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000542831050 341022585 /nfs/dbraw/zinc/02/25/85/341022585.db2.gz ZXLPDPKVUFLSKB-WDEREUQCSA-N 0 0 312.291 3.107 10 30 DGEERN N#CCC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000543838132 341061182 /nfs/dbraw/zinc/06/11/82/341061182.db2.gz LWOMOGNJIXRJBX-HIFRSBDPSA-N 0 0 304.340 3.221 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000544418422 341081373 /nfs/dbraw/zinc/08/13/73/341081373.db2.gz UVXROPZSIAGRCP-LJQANCHMSA-N 0 0 324.428 3.359 10 30 DGEERN N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C1CC1 ZINC000133248451 341166171 /nfs/dbraw/zinc/16/61/71/341166171.db2.gz QMLCCBWINJLWCL-AGIUHOORSA-N 0 0 324.302 3.107 10 30 DGEERN C=CCC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1ccccc1 ZINC000133820569 341191133 /nfs/dbraw/zinc/19/11/33/341191133.db2.gz QLEIAIOZXYHZJX-QGZVFWFLSA-N 0 0 320.396 3.475 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000547400561 341211385 /nfs/dbraw/zinc/21/13/85/341211385.db2.gz YGMXRLKPEPPGSS-CYBMUJFWSA-N 0 0 304.365 3.015 10 30 DGEERN C=CCCCN(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000077108100 341218801 /nfs/dbraw/zinc/21/88/01/341218801.db2.gz UXPZNTCTLAKAPK-UHFFFAOYSA-N 0 0 316.445 3.139 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000135112185 341231250 /nfs/dbraw/zinc/23/12/50/341231250.db2.gz NLPDSHNXSBZXDZ-BZNIZROVSA-N 0 0 324.446 3.408 10 30 DGEERN C=CCCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547780464 341232181 /nfs/dbraw/zinc/23/21/81/341232181.db2.gz LSAGIPIMVJSTPQ-UHFFFAOYSA-N 0 0 303.362 3.019 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC1(C#N)CC1 ZINC000547841082 341236968 /nfs/dbraw/zinc/23/69/68/341236968.db2.gz ITHIISSSRHRDIW-ZNMIVQPWSA-N 0 0 304.434 3.265 10 30 DGEERN N#C[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C1CC1 ZINC000135439838 341239676 /nfs/dbraw/zinc/23/96/76/341239676.db2.gz OACGWJSMPDAGJM-MRXNPFEDSA-N 0 0 311.772 3.434 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2ccccc2OC)n1CC ZINC000549044091 341284597 /nfs/dbraw/zinc/28/45/97/341284597.db2.gz DDLFDQBZPJJTEI-UHFFFAOYSA-N 0 0 314.433 3.300 10 30 DGEERN C=CCN(C)c1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000549533968 341296682 /nfs/dbraw/zinc/29/66/82/341296682.db2.gz IJLAVPFKNZTGGJ-UHFFFAOYSA-N 0 0 305.385 3.011 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000549698658 341300845 /nfs/dbraw/zinc/30/08/45/341300845.db2.gz NBKQZPIYPGRKHG-GOSISDBHSA-N 0 0 314.408 3.470 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C1CC1 ZINC000550285854 341314465 /nfs/dbraw/zinc/31/44/65/341314465.db2.gz VQAFKLUXCNVLLA-LBPRGKRZSA-N 0 0 303.362 3.091 10 30 DGEERN C=C(C)[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000248834948 341388237 /nfs/dbraw/zinc/38/82/37/341388237.db2.gz CQDGXRMQFAIVJF-RBOXIYTFSA-N 0 0 309.356 3.371 10 30 DGEERN C=CCCCNC(=O)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C ZINC000555754585 341489775 /nfs/dbraw/zinc/48/97/75/341489775.db2.gz FQJLZUSOTRMCJH-QGZVFWFLSA-N 0 0 316.445 3.145 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1oc(COC(C)(C)C)nc1C ZINC000564660562 341506329 /nfs/dbraw/zinc/50/63/29/341506329.db2.gz KSLBIVGHXOOJTF-ZDUSSCGKSA-N 0 0 306.406 3.479 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000565019608 341515283 /nfs/dbraw/zinc/51/52/83/341515283.db2.gz GPAVLBLVYVQDDN-HBUWYVDXSA-N 0 0 309.450 3.415 10 30 DGEERN C=CCn1c(C)nnc1SCCN1CCCc2ccccc21 ZINC000154203211 341586576 /nfs/dbraw/zinc/58/65/76/341586576.db2.gz MUJMUSZUHDAXBE-UHFFFAOYSA-N 0 0 314.458 3.317 10 30 DGEERN C=CCC1(C(=O)Nc2cccc3c(=O)[nH]ccc23)CCOCC1 ZINC000567698538 341628335 /nfs/dbraw/zinc/62/83/35/341628335.db2.gz BWCJGHYLQVLCQI-UHFFFAOYSA-N 0 0 312.369 3.252 10 30 DGEERN C=C(C)CNC(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000567760731 341632132 /nfs/dbraw/zinc/63/21/32/341632132.db2.gz YVCQUPQTSRQNAW-ZIAGYGMSSA-N 0 0 312.417 3.464 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2nc(C)cs2)n1CC ZINC000567859078 341637196 /nfs/dbraw/zinc/63/71/96/341637196.db2.gz SXOATFSTOUIBOP-UHFFFAOYSA-N 0 0 305.451 3.056 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)NCc1ccc(CC#N)cc1 ZINC000567950170 341642274 /nfs/dbraw/zinc/64/22/74/341642274.db2.gz GVAASXKATQKUKY-CQSZACIVSA-N 0 0 300.402 3.154 10 30 DGEERN C=CCN1C(=O)N([C@H](C)C(C)(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000573449878 341728754 /nfs/dbraw/zinc/72/87/54/341728754.db2.gz VOIMIISDCRKXEV-GDBMZVCRSA-N 0 0 314.429 3.483 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000576053360 341822966 /nfs/dbraw/zinc/82/29/66/341822966.db2.gz LQXDHYVOLDAWBT-OAHLLOKOSA-N 0 0 320.458 3.178 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1-c1cccs1 ZINC000576789307 341863334 /nfs/dbraw/zinc/86/33/34/341863334.db2.gz HXADBACQZLDXNU-LBPRGKRZSA-N 0 0 302.399 3.474 10 30 DGEERN C=CCCCCCNC(=O)N1CCOc2cc(O)ccc2C1 ZINC000577408606 341908526 /nfs/dbraw/zinc/90/85/26/341908526.db2.gz ANXACFQVZBXXJR-UHFFFAOYSA-N 0 0 304.390 3.043 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000577503934 341913603 /nfs/dbraw/zinc/91/36/03/341913603.db2.gz XKNYGXQFPQRPSQ-YJBOKZPZSA-N 0 0 312.413 3.116 10 30 DGEERN N#CC1(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 ZINC000577811795 341938632 /nfs/dbraw/zinc/93/86/32/341938632.db2.gz QNHSDOXBCROVSV-UHFFFAOYSA-N 0 0 301.733 3.029 10 30 DGEERN C=C(CC)CNS(=O)(=O)c1cc(Br)ccc1C ZINC000313482113 1177424747 /nfs/dbraw/zinc/42/47/47/1177424747.db2.gz LOIRKORWHNQDKY-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN CO[C@H](C)c1nc(CN(C)c2ccc(C#N)cc2F)cs1 ZINC000301528004 500833694 /nfs/dbraw/zinc/83/36/94/500833694.db2.gz GPJCCORSANHXTE-SNVBAGLBSA-N 0 0 305.378 3.498 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000178377669 533726698 /nfs/dbraw/zinc/72/66/98/533726698.db2.gz HGYOPGXQTKJWER-UHFFFAOYSA-N 0 0 322.364 3.209 10 30 DGEERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C#N)ccn1 ZINC000436006869 533936495 /nfs/dbraw/zinc/93/64/95/533936495.db2.gz OBPWMWWZODPEIW-SECBINFHSA-N 0 0 319.723 3.152 10 30 DGEERN C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000302220925 534015163 /nfs/dbraw/zinc/01/51/63/534015163.db2.gz RZYKTAPJHSVLKD-JTQLQIEISA-N 0 0 311.297 3.368 10 30 DGEERN C[C@H]1COCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000194505724 534042704 /nfs/dbraw/zinc/04/27/04/534042704.db2.gz GXUPZVVWIOZHOG-JOYOIKCWSA-N 0 0 312.291 3.188 10 30 DGEERN C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)CCCCC#N ZINC000109337835 534125225 /nfs/dbraw/zinc/12/52/25/534125225.db2.gz XFNWFTJZJNHFSZ-GFCCVEGCSA-N 0 0 314.838 3.356 10 30 DGEERN COC(=O)c1ccc(F)c(CNc2cccc(F)c2C#N)c1 ZINC000302213851 534169228 /nfs/dbraw/zinc/16/92/28/534169228.db2.gz ZJCXCIFREYLREZ-UHFFFAOYSA-N 0 0 302.280 3.235 10 30 DGEERN O=C(COC[C@H]1CCOC1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000329664825 534338407 /nfs/dbraw/zinc/33/84/07/534338407.db2.gz QNRNQDQAGGCAET-JTQLQIEISA-N 0 0 322.336 3.001 10 30 DGEERN Cc1nc(CN(C)c2c(C#N)cnc3c(C)cc(C)cc32)no1 ZINC000302186853 534345310 /nfs/dbraw/zinc/34/53/10/534345310.db2.gz PSPLFAMENFLQFU-UHFFFAOYSA-N 0 0 307.357 3.051 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)c1cccc(C)c1 ZINC000469016352 534357747 /nfs/dbraw/zinc/35/77/47/534357747.db2.gz SACKOZQRDJOJAZ-IAGOWNOFSA-N 0 0 301.430 3.370 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000469452415 534358549 /nfs/dbraw/zinc/35/85/49/534358549.db2.gz NENGDEKBBCKFEC-HZPDHXFCSA-N 0 0 319.832 3.469 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCOc1cccc(C)c1C ZINC000487648913 534358885 /nfs/dbraw/zinc/35/88/85/534358885.db2.gz RHNMIIJSPWMJHP-SJLPKXTDSA-N 0 0 317.429 3.170 10 30 DGEERN C=CCc1cc(CNC(=O)N2CC[C@H]2CC)cc(OC)c1OC ZINC000488521999 534414912 /nfs/dbraw/zinc/41/49/12/534414912.db2.gz YKXUFHAOCMOUFP-OAHLLOKOSA-N 0 0 318.417 3.126 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000454899905 534513096 /nfs/dbraw/zinc/51/30/96/534513096.db2.gz UQIPNKSPYKXLEC-DLBZAZTESA-N 0 0 324.428 3.240 10 30 DGEERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(C)(C#N)CC1 ZINC000356994998 534524831 /nfs/dbraw/zinc/52/48/31/534524831.db2.gz YFHDRJDQIMWGFD-UHFFFAOYSA-N 0 0 323.396 3.345 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000458805797 534545785 /nfs/dbraw/zinc/54/57/85/534545785.db2.gz AYERZNVWJVRIDX-XHSDSOJGSA-N 0 0 308.466 3.314 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000455420999 534566001 /nfs/dbraw/zinc/56/60/01/534566001.db2.gz LVRUJTHMWQMYGJ-YCPHGPKFSA-N 0 0 316.401 3.250 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000459035338 534566388 /nfs/dbraw/zinc/56/63/88/534566388.db2.gz CYXSEDNUHNWTFF-SJORKVTESA-N 0 0 318.417 3.467 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCCOC3CCCC3)cc2)CC1 ZINC000180063691 534575017 /nfs/dbraw/zinc/57/50/17/534575017.db2.gz NQXRTSHMXIORBM-UHFFFAOYSA-N 0 0 312.413 3.321 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCOc3cccc(F)c3)cc2)CC1 ZINC000182945124 534575074 /nfs/dbraw/zinc/57/50/74/534575074.db2.gz OAHHMYWTFMKKIF-UHFFFAOYSA-N 0 0 324.355 3.190 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC000182525529 534575729 /nfs/dbraw/zinc/57/57/29/534575729.db2.gz JBZVSKDCIRCZDZ-UHFFFAOYSA-N 0 0 308.356 3.353 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000451507574 534579689 /nfs/dbraw/zinc/57/96/89/534579689.db2.gz KPGBFOAOYNPVSO-AGIUHOORSA-N 0 0 317.351 3.159 10 30 DGEERN N#CC1CCC(CNC(=O)NCCCc2ccccc2F)CC1 ZINC000441017993 534580178 /nfs/dbraw/zinc/58/01/78/534580178.db2.gz DZAUYXIAVXSHPW-UHFFFAOYSA-N 0 0 317.408 3.387 10 30 DGEERN N#CCCCCNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000171595067 534596309 /nfs/dbraw/zinc/59/63/09/534596309.db2.gz LWZSSPPCKZMWIS-UHFFFAOYSA-N 0 0 312.413 3.338 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000455408858 534600383 /nfs/dbraw/zinc/60/03/83/534600383.db2.gz KLXJYCVCCKHETA-BMFZPTHFSA-N 0 0 320.820 3.182 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000455408859 534600664 /nfs/dbraw/zinc/60/06/64/534600664.db2.gz KLXJYCVCCKHETA-IMJJTQAJSA-N 0 0 320.820 3.182 10 30 DGEERN N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124406 534640585 /nfs/dbraw/zinc/64/05/85/534640585.db2.gz ZAEFBHMWXUXOEB-ZIAGYGMSSA-N 0 0 304.340 3.221 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000448754402 534675848 /nfs/dbraw/zinc/67/58/48/534675848.db2.gz ZTUXTCLYUFJFDM-ZDUSSCGKSA-N 0 0 321.302 3.320 10 30 DGEERN Cc1cccc(C)c1OCCNC(=O)c1ccc(C#N)cc1C ZINC000161766696 534683801 /nfs/dbraw/zinc/68/38/01/534683801.db2.gz BJVXJUNMMHTTTB-UHFFFAOYSA-N 0 0 308.381 3.292 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)C(=O)c1ccc(Br)cc1 ZINC000488881490 534687610 /nfs/dbraw/zinc/68/76/10/534687610.db2.gz WMHFISOIHDIYEC-ZDUSSCGKSA-N 0 0 322.202 3.199 10 30 DGEERN C=CCCCCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000471700544 534691020 /nfs/dbraw/zinc/69/10/20/534691020.db2.gz BTFWTNLMGGHTEH-UHFFFAOYSA-N 0 0 305.328 3.237 10 30 DGEERN C=CCCCNC(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC000454873289 534725818 /nfs/dbraw/zinc/72/58/18/534725818.db2.gz KMSFZCUCMSCZQY-UHFFFAOYSA-N 0 0 314.429 3.226 10 30 DGEERN C=CCCCNC(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000458731206 534726022 /nfs/dbraw/zinc/72/60/22/534726022.db2.gz RHELSYQFCPSDTG-UHFFFAOYSA-N 0 0 317.437 3.014 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000177204678 534728140 /nfs/dbraw/zinc/72/81/40/534728140.db2.gz BZBPDFQZFVUOAV-IAGOWNOFSA-N 0 0 324.380 3.074 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171611167 534728466 /nfs/dbraw/zinc/72/84/66/534728466.db2.gz RMIJACDZSQHPQM-UHFFFAOYSA-N 0 0 319.408 3.243 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000488181975 534747008 /nfs/dbraw/zinc/74/70/08/534747008.db2.gz SWBYPYVKOZTADE-HZPDHXFCSA-N 0 0 316.445 3.076 10 30 DGEERN N#Cc1ccnc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000436012845 534823251 /nfs/dbraw/zinc/82/32/51/534823251.db2.gz AHYCADFWQRJIKZ-UHFFFAOYSA-N 0 0 313.307 3.292 10 30 DGEERN N#Cc1ccnc(NC(=O)c2csc(Br)c2)c1 ZINC000436009195 534824668 /nfs/dbraw/zinc/82/46/68/534824668.db2.gz UHQCLNHSYPRZPD-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)c2sccc2C#N)n1 ZINC000161392873 525569117 /nfs/dbraw/zinc/56/91/17/525569117.db2.gz IWJPOQKNHKNJJQ-UHFFFAOYSA-N 0 0 308.366 3.366 10 30 DGEERN Cc1nc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c(C)s1 ZINC000178561958 534874369 /nfs/dbraw/zinc/87/43/69/534874369.db2.gz ONYLDEMULSZNMF-QGZVFWFLSA-N 0 0 313.426 3.405 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000352744706 526320602 /nfs/dbraw/zinc/32/06/02/526320602.db2.gz DXTUWUMONGYCSW-UHFFFAOYSA-N 0 0 324.384 3.498 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000352579262 526321704 /nfs/dbraw/zinc/32/17/04/526321704.db2.gz AUBHAXFBMXDPHC-HNNXBMFYSA-N 0 0 324.380 3.176 10 30 DGEERN C=CCN(Cc1cc(OC)c(OC)c(OC)c1)CC(F)(F)F ZINC000092471967 526331727 /nfs/dbraw/zinc/33/17/27/526331727.db2.gz DZGQYDLOPFAPFR-UHFFFAOYSA-N 0 0 319.323 3.263 10 30 DGEERN C=CCN(Cc1cc(-n2ccnc2)cs1)CC(F)(F)F ZINC000346143348 526332231 /nfs/dbraw/zinc/33/22/31/526332231.db2.gz QIQMCHWIPRGSMV-UHFFFAOYSA-N 0 0 301.337 3.484 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)C(=O)c1ccc(F)cc1 ZINC000358767051 526360326 /nfs/dbraw/zinc/36/03/26/526360326.db2.gz ITIQNAKBKNBXNY-UHFFFAOYSA-N 0 0 315.319 3.362 10 30 DGEERN C=CCN(Cc1ncc(Br)s1)CC(F)(F)F ZINC000341183092 526382342 /nfs/dbraw/zinc/38/23/42/526382342.db2.gz VSWGDCOOUNNVLQ-UHFFFAOYSA-N 0 0 315.158 3.456 10 30 DGEERN CC#CCNc1cc(C(=O)N2CCCCCC2)ccc1OC ZINC000344485661 526383593 /nfs/dbraw/zinc/38/35/93/526383593.db2.gz PQLWNHMSBAIPEA-UHFFFAOYSA-N 0 0 300.402 3.147 10 30 DGEERN C=CCN(c1nnc(CCc2ccco2)n1CC(C)C)C1CC1 ZINC000358965096 526387329 /nfs/dbraw/zinc/38/73/29/526387329.db2.gz RMELETBHJIGKIL-UHFFFAOYSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)cc(C)n1 ZINC000346216556 526412591 /nfs/dbraw/zinc/41/25/91/526412591.db2.gz HZKYHUCIHGRNJS-QGZVFWFLSA-N 0 0 309.369 3.151 10 30 DGEERN C=C(C)CCSCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000350782323 526460361 /nfs/dbraw/zinc/46/03/61/526460361.db2.gz WVNNLTRKFRSLJW-UHFFFAOYSA-N 0 0 309.431 3.019 10 30 DGEERN C=C(C)CCc1noc(CCc2ccc3c(c2)OCCO3)n1 ZINC000351607257 526467824 /nfs/dbraw/zinc/46/78/24/526467824.db2.gz JAJHIUYUBHIUCZ-UHFFFAOYSA-N 0 0 300.358 3.135 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)NCC(C)(C)CCC#N)c1 ZINC000349488340 526481563 /nfs/dbraw/zinc/48/15/63/526481563.db2.gz QYVVCJUVTPINIO-UHFFFAOYSA-N 0 0 316.405 3.121 10 30 DGEERN C=C(C)CN(C)c1nnc(CCC(C)C)n1C[C@@H]1CCCO1 ZINC000339017320 526508118 /nfs/dbraw/zinc/50/81/18/526508118.db2.gz OQQIYZCKSCDHPP-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)CN(CC)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000287923821 526532028 /nfs/dbraw/zinc/53/20/28/526532028.db2.gz QBMSMXTUIAPVSB-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296711322 526532164 /nfs/dbraw/zinc/53/21/64/526532164.db2.gz AZLFUHFYUCXFTJ-SECBINFHSA-N 0 0 307.341 3.354 10 30 DGEERN C=CCNC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000042925571 526583244 /nfs/dbraw/zinc/58/32/44/526583244.db2.gz MLMWXIKASIZFHZ-UHFFFAOYSA-N 0 0 311.385 3.161 10 30 DGEERN CC(C)(C)Oc1ccc(CNc2nc3ccccn3c2C#N)cn1 ZINC000302192545 526586116 /nfs/dbraw/zinc/58/61/16/526586116.db2.gz RLBYNOVEMNSZEH-UHFFFAOYSA-N 0 0 321.384 3.390 10 30 DGEERN C=C(C)COCCNC(=O)N(C)[C@H](C)Cc1ccccc1C ZINC000445093200 526632372 /nfs/dbraw/zinc/63/23/72/526632372.db2.gz OZVHKGAXTJBEIU-MRXNPFEDSA-N 0 0 304.434 3.160 10 30 DGEERN C=C(C)COCCNC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000137458560 526647917 /nfs/dbraw/zinc/64/79/17/526647917.db2.gz TVHXZLFCRSLMMM-UHFFFAOYSA-N 0 0 315.373 3.364 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)c1 ZINC000346077432 526658248 /nfs/dbraw/zinc/65/82/48/526658248.db2.gz BVYCQCQMQWKUSI-RYUDHWBXSA-N 0 0 319.311 3.021 10 30 DGEERN C=CCNC(=O)c1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000360349250 526662096 /nfs/dbraw/zinc/66/20/96/526662096.db2.gz YEZMSZGFQTTYOM-UHFFFAOYSA-N 0 0 317.370 3.184 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000373362100 526662460 /nfs/dbraw/zinc/66/24/60/526662460.db2.gz MVTPCFBWFGGBOD-UHFFFAOYSA-N 0 0 311.425 3.466 10 30 DGEERN C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)OC)C2)c1 ZINC000411945288 526671496 /nfs/dbraw/zinc/67/14/96/526671496.db2.gz ROBOWNLWRORCPN-UONOGXRCSA-N 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UDTTYBAPHGEOTC-GFCCVEGCSA-N 0 0 307.390 3.278 10 30 DGEERN C=CCOCC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000354628489 526693065 /nfs/dbraw/zinc/69/30/65/526693065.db2.gz WPGXBAZVDINRML-GFCCVEGCSA-N 0 0 311.784 3.215 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000185538270 526693611 /nfs/dbraw/zinc/69/36/11/526693611.db2.gz WIJRVTFFTXGQIK-OAHLLOKOSA-N 0 0 320.477 3.276 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000342731017 526693863 /nfs/dbraw/zinc/69/38/63/526693863.db2.gz AMBQIAQRERTJCU-CQSZACIVSA-N 0 0 314.385 3.307 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000183736149 526694709 /nfs/dbraw/zinc/69/47/09/526694709.db2.gz JLRXAUFVOOUMCA-CABCVRRESA-N 0 0 304.438 3.167 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000185766401 526697349 /nfs/dbraw/zinc/69/73/49/526697349.db2.gz CREMPOPZPUPPQG-GFCCVEGCSA-N 0 0 303.406 3.435 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000185780010 526703485 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C=C(C)C[C@H](C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000185170444 526712974 /nfs/dbraw/zinc/71/29/74/526712974.db2.gz HPOVDAFYEQGQHA-DOTOQJQBSA-N 0 0 314.429 3.069 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000357940180 526713014 /nfs/dbraw/zinc/71/30/14/526713014.db2.gz RKKRBHSIRKNIRV-JCGIZDLHSA-N 0 0 309.413 3.447 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000185596336 526714908 /nfs/dbraw/zinc/71/49/08/526714908.db2.gz HWFCDQNLTPRXRX-LBPRGKRZSA-N 0 0 309.431 3.080 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000185847126 526714945 /nfs/dbraw/zinc/71/49/45/526714945.db2.gz DCHIXTIAGJAFOF-LSDHHAIUSA-N 0 0 302.418 3.453 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000185505941 526715029 /nfs/dbraw/zinc/71/50/29/526715029.db2.gz KTWLWVBNJBMWBY-LBPRGKRZSA-N 0 0 315.373 3.498 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000338848232 526722343 /nfs/dbraw/zinc/72/23/43/526722343.db2.gz 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307.440 3.357 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2cccc(OC)c2F)cc1 ZINC000355705135 526884773 /nfs/dbraw/zinc/88/47/73/526884773.db2.gz KUNPZHCZRKEIRY-UHFFFAOYSA-N 0 0 315.344 3.329 10 30 DGEERN C=CCOc1ccc(OC(=O)C2CCC(C(=O)OC)CC2)cc1 ZINC000181158268 526895105 /nfs/dbraw/zinc/89/51/05/526895105.db2.gz ZUJRRBDWFZPVTL-UHFFFAOYSA-N 0 0 318.369 3.136 10 30 DGEERN C=C1CCN(C(=O)c2cc(C)n(Cc3ccncc3)c2C)CC1 ZINC000358106871 526898083 /nfs/dbraw/zinc/89/80/83/526898083.db2.gz LIMNEQDGFVGKCU-UHFFFAOYSA-N 0 0 309.413 3.340 10 30 DGEERN C=C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000360053444 526906494 /nfs/dbraw/zinc/90/64/94/526906494.db2.gz KNXITQYLEJUQKE-UHFFFAOYSA-N 0 0 306.207 3.477 10 30 DGEERN C=C1CCN(c2nnc(-c3ccoc3)n2CCCOCC)CC1 ZINC000338926476 526908180 /nfs/dbraw/zinc/90/81/80/526908180.db2.gz QVCNBIXOTYIULX-UHFFFAOYSA-N 0 0 316.405 3.121 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000293941036 526924803 /nfs/dbraw/zinc/92/48/03/526924803.db2.gz ICCIYLLRCOKBLM-ZBFHGGJFSA-N 0 0 307.340 3.369 10 30 DGEERN C=CCOc1ccccc1CNc1cccc2c1OCC(=O)N2 ZINC000352452338 526951645 /nfs/dbraw/zinc/95/16/45/526951645.db2.gz DZINXKWQVBCIHW-UHFFFAOYSA-N 0 0 310.353 3.194 10 30 DGEERN C=CC1CCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000340159013 526976887 /nfs/dbraw/zinc/97/68/87/526976887.db2.gz AFOHVFKYZDTPJG-CQSZACIVSA-N 0 0 320.458 3.384 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000352096206 526995665 /nfs/dbraw/zinc/99/56/65/526995665.db2.gz YYYWBIYNOXBLLG-SECBINFHSA-N 0 0 312.211 3.019 10 30 DGEERN C=CC[C@@H](C(=O)N1CC(CO)(c2ccccc2)C1)c1ccccc1 ZINC000412776541 527015033 /nfs/dbraw/zinc/01/50/33/527015033.db2.gz VCXJRJVINSUQGV-LJQANCHMSA-N 0 0 321.420 3.119 10 30 DGEERN C=CC[C@@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051221 527015740 /nfs/dbraw/zinc/01/57/40/527015740.db2.gz OGZMPHQFORSLMM-SJLPKXTDSA-N 0 0 309.413 3.096 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000352516968 527016602 /nfs/dbraw/zinc/01/66/02/527016602.db2.gz 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C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C(C1CC1)C1CC1 ZINC000287263967 527160045 /nfs/dbraw/zinc/16/00/45/527160045.db2.gz HILMIASJHKROHF-SFHVURJKSA-N 0 0 310.441 3.451 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000337083567 527162730 /nfs/dbraw/zinc/16/27/30/527162730.db2.gz BPTFGJVDGVPHIG-JTQLQIEISA-N 0 0 302.296 3.107 10 30 DGEERN C#CC[C@H](Cc1ccccc1)Nc1ncccc1-c1nc(C)no1 ZINC000370194575 527174018 /nfs/dbraw/zinc/17/40/18/527174018.db2.gz PJTXVMFBAOIKGP-MRXNPFEDSA-N 0 0 318.380 3.487 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000130539217 527179709 /nfs/dbraw/zinc/17/97/09/527179709.db2.gz UOQVGSWVHBLNKX-UHFFFAOYSA-N 0 0 324.808 3.020 10 30 DGEERN C=CCCCN(C)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000344834285 527181550 /nfs/dbraw/zinc/18/15/50/527181550.db2.gz SHAUYBXXWANGRC-UHFFFAOYSA-N 0 0 306.362 3.097 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000188479750 527189603 /nfs/dbraw/zinc/18/96/03/527189603.db2.gz BRVYTBCCOSFCPR-GDBMZVCRSA-N 0 0 303.402 3.232 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000355516539 527190161 /nfs/dbraw/zinc/19/01/61/527190161.db2.gz WPXYYZBZAUXRLI-UHFFFAOYSA-N 0 0 308.385 3.091 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000346787864 527190253 /nfs/dbraw/zinc/19/02/53/527190253.db2.gz DAADOQMUOKKKNP-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000135667664 527190777 /nfs/dbraw/zinc/19/07/77/527190777.db2.gz FGGHVDDGCOVJOF-UHFFFAOYSA-N 0 0 301.390 3.009 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000185778849 527193660 /nfs/dbraw/zinc/19/36/60/527193660.db2.gz ZDYZVJDXIBLTKM-BXUZGUMPSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000183512918 527199078 /nfs/dbraw/zinc/19/90/78/527199078.db2.gz XPMGZWWAHGAYDO-VHSXEESVSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc2ccccc2cc1OC(F)F ZINC000185806159 527206682 /nfs/dbraw/zinc/20/66/82/527206682.db2.gz ZJRGJXPCJYUWJW-CYBMUJFWSA-N 0 0 321.323 3.108 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCC1(CCO)CCC1 ZINC000413826059 527216500 /nfs/dbraw/zinc/21/65/00/527216500.db2.gz HELKXLBZAGQQSF-QGZVFWFLSA-N 0 0 316.445 3.026 10 30 DGEERN C=CCCCNC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000448377810 527219041 /nfs/dbraw/zinc/21/90/41/527219041.db2.gz UANYZIVTSPKARM-RDJZCZTQSA-N 0 0 302.418 3.433 10 30 DGEERN C=CCCCNC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000447977184 527221958 /nfs/dbraw/zinc/22/19/58/527221958.db2.gz MPFMZHZCAAXKSA-UHFFFAOYSA-N 0 0 315.417 3.191 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1cc(C(=O)OC)co1 ZINC000338635593 527247020 /nfs/dbraw/zinc/24/70/20/527247020.db2.gz GIUGBLCEZONFRJ-UHFFFAOYSA-N 0 0 317.297 3.282 10 30 DGEERN CC(=O)c1ccc(C(=O)NCC2CCC(C#N)CC2)c(F)c1 ZINC000441161945 527252873 /nfs/dbraw/zinc/25/28/73/527252873.db2.gz ZTURDIRITGDRKU-UHFFFAOYSA-N 0 0 302.349 3.088 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[C@H](C)F ZINC000343171069 527257177 /nfs/dbraw/zinc/25/71/77/527257177.db2.gz VFOKXVGWPAZDRL-ZDUSSCGKSA-N 0 0 320.408 3.341 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000355586144 527258575 /nfs/dbraw/zinc/25/85/75/527258575.db2.gz SKLOHDDLZNQADC-CJNGLKHVSA-N 0 0 302.418 3.383 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@](F)(CO)C1 ZINC000338467642 527258809 /nfs/dbraw/zinc/25/88/09/527258809.db2.gz KIZUSZSMQDCNCB-SFHVURJKSA-N 0 0 320.408 3.477 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC000337808050 527265864 /nfs/dbraw/zinc/26/58/64/527265864.db2.gz JCDVQDQNRMZMCO-VXGBXAGGSA-N 0 0 300.406 3.433 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000337808048 527266661 /nfs/dbraw/zinc/26/66/61/527266661.db2.gz JCDVQDQNRMZMCO-TXEJJXNPSA-N 0 0 300.406 3.433 10 30 DGEERN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC ZINC000282146152 527268775 /nfs/dbraw/zinc/26/87/75/527268775.db2.gz BVTJLKITIGVMSB-UHFFFAOYSA-N 0 0 306.797 3.249 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H]1CSC ZINC000350707671 527279971 /nfs/dbraw/zinc/27/99/71/527279971.db2.gz ISSWTKDYRBDUJP-ZDUSSCGKSA-N 0 0 304.419 3.056 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1ncsc1Br ZINC000359023391 527295227 /nfs/dbraw/zinc/29/52/27/527295227.db2.gz YHBPFDBCZRYPCM-QMMMGPOBSA-N 0 0 303.225 3.380 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000337853662 527299803 /nfs/dbraw/zinc/29/98/03/527299803.db2.gz KISZQVPVUJCHHV-AWEZNQCLSA-N 0 0 317.462 3.230 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000337855705 527300956 /nfs/dbraw/zinc/30/09/56/527300956.db2.gz LFZYUAVWOQVXAP-KRWDZBQOSA-N 0 0 300.381 3.080 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(C)Cc1ccccc1OCC ZINC000337827152 527305620 /nfs/dbraw/zinc/30/56/20/527305620.db2.gz WVWMJPVMXUCMOY-UHFFFAOYSA-N 0 0 312.417 3.377 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@](C)(OC)C1 ZINC000337804034 527316015 /nfs/dbraw/zinc/31/60/15/527316015.db2.gz GOUMSNQZPWVBCG-KRWDZBQOSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC000350751131 527320311 /nfs/dbraw/zinc/32/03/11/527320311.db2.gz ASSOMWUAMOCUEN-KGLIPLIRSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(COCC)nnc1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000337824732 527324730 /nfs/dbraw/zinc/32/47/30/527324730.db2.gz VBWXECCLMGEBPC-RHSMWYFYSA-N 0 0 304.438 3.017 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000351919022 527332960 /nfs/dbraw/zinc/33/29/60/527332960.db2.gz LGDRPMYPYRQBEX-HZPDHXFCSA-N 0 0 311.466 3.005 10 30 DGEERN C=CCCOCCCCC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000342965930 527337073 /nfs/dbraw/zinc/33/70/73/527337073.db2.gz NSXYUMUWPWGKDQ-UHFFFAOYSA-N 0 0 314.389 3.173 10 30 DGEERN C=CCn1c(SCc2cccc(OCC)n2)nnc1C1CC1 ZINC000342258516 527343253 /nfs/dbraw/zinc/34/32/53/527343253.db2.gz ROQIWMCAIRVDAU-UHFFFAOYSA-N 0 0 316.430 3.428 10 30 DGEERN C=CCn1c(Sc2nc([C@H](C)OC)ns2)nnc1C1CC1 ZINC000337915993 527346399 /nfs/dbraw/zinc/34/63/99/527346399.db2.gz PZDVPNJYCFKUJR-QMMMGPOBSA-N 0 0 323.447 3.052 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@@H]2OC)nnc1-c1cccnc1 ZINC000292535819 527347411 /nfs/dbraw/zinc/34/74/11/527347411.db2.gz APFQFKXXRMDFAX-KBPBESRZSA-N 0 0 316.430 3.186 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)C1 ZINC000337838364 527351354 /nfs/dbraw/zinc/35/13/54/527351354.db2.gz DIJCELLVFRYQJN-RBSFLKMASA-N 0 0 318.465 3.229 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000432074598 527351716 /nfs/dbraw/zinc/35/17/16/527351716.db2.gz CDHBNTHKMLWDCB-OAHLLOKOSA-N 0 0 322.836 3.432 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(=C)CC1 ZINC000337896337 527352875 /nfs/dbraw/zinc/35/28/75/527352875.db2.gz DKYSKMFKPJOACD-KRWDZBQOSA-N 0 0 322.412 3.297 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N(C)CCc1ncc(C)s1 ZINC000282602878 527356281 /nfs/dbraw/zinc/35/62/81/527356281.db2.gz MSVBHSORWWGMLP-GFCCVEGCSA-N 0 0 319.478 3.421 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000337837382 527356753 /nfs/dbraw/zinc/35/67/53/527356753.db2.gz CUVIGKFZYKSJDA-BZUAXINKSA-N 0 0 318.465 3.231 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181494211 527358689 /nfs/dbraw/zinc/35/86/89/527358689.db2.gz OWOMXLXHDLULLJ-PBHICJAKSA-N 0 0 302.418 3.120 10 30 DGEERN C=CCCOCCNC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000344055582 527365379 /nfs/dbraw/zinc/36/53/79/527365379.db2.gz ZHVDLUGMYWCLBJ-UHFFFAOYSA-N 0 0 319.298 3.475 10 30 DGEERN C=CCCO[C@H](C)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000345983770 527396266 /nfs/dbraw/zinc/39/62/66/527396266.db2.gz GCUADTQGTJMOGQ-SECBINFHSA-N 0 0 320.311 3.026 10 30 DGEERN C=C[C@@H](C)NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000349415706 527412486 /nfs/dbraw/zinc/41/24/86/527412486.db2.gz RLYRUXRHDUWQQF-UKRRQHHQSA-N 0 0 301.434 3.184 10 30 DGEERN C=C[C@@H](CC(=O)NCCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000340298336 527421322 /nfs/dbraw/zinc/42/13/22/527421322.db2.gz QDWPCCWZYUSRTA-INIZCTEOSA-N 0 0 321.424 3.373 10 30 DGEERN C=CCC[C@@H](CCC)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000433075924 527426811 /nfs/dbraw/zinc/42/68/11/527426811.db2.gz IHEUXZJZUFPUGR-QGZVFWFLSA-N 0 0 315.461 3.077 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000296738816 527435267 /nfs/dbraw/zinc/43/52/67/527435267.db2.gz KJGWBCQDDUYLOV-UHFFFAOYSA-N 0 0 310.319 3.152 10 30 DGEERN C#Cc1ccc(CNC(=O)NC[C@@H](c2cccnc2)C(C)C)cc1 ZINC000296566397 527437415 /nfs/dbraw/zinc/43/74/15/527437415.db2.gz RYRFMGZZFGEGFY-LJQANCHMSA-N 0 0 321.424 3.302 10 30 DGEERN C=CCC[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000119084234 527443180 /nfs/dbraw/zinc/44/31/80/527443180.db2.gz UILKOICMDZLRAP-OAHLLOKOSA-N 0 0 324.384 3.010 10 30 DGEERN C#Cc1cccc(NC(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000363725759 527455941 /nfs/dbraw/zinc/45/59/41/527455941.db2.gz DDDBCJXGDUDAJO-SFHVURJKSA-N 0 0 324.355 3.492 10 30 DGEERN C=CCC[C@H](C(=O)NCC[C@H](C)[S@](C)=O)c1ccccc1 ZINC000427767682 527464055 /nfs/dbraw/zinc/46/40/55/527464055.db2.gz CPYVFXWOESZZFB-HTZUNMPGSA-N 0 0 307.459 3.010 10 30 DGEERN C(#Cc1ccccc1)CSc1nnc(N2CCCC2)s1 ZINC000187910041 527465038 /nfs/dbraw/zinc/46/50/38/527465038.db2.gz MVKPXFMGUYLCEF-UHFFFAOYSA-N 0 0 301.440 3.282 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccc(C)cc1C ZINC000424920461 527493108 /nfs/dbraw/zinc/49/31/08/527493108.db2.gz ZFTOKGAMDKZISS-GJZGRUSLSA-N 0 0 305.443 3.103 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000424929295 527493293 /nfs/dbraw/zinc/49/32/93/527493293.db2.gz AZSDBAZIKZRBPJ-JLSDUUJJSA-N 0 0 301.430 3.450 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(Cl)cccc1Cl ZINC000424913106 527494352 /nfs/dbraw/zinc/49/43/52/527494352.db2.gz JBZSBZURJKDFTE-HZMBPMFUSA-N 0 0 314.212 3.243 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 ZINC000135423887 527497621 /nfs/dbraw/zinc/49/76/21/527497621.db2.gz YNRBRLNRXJFABP-CTYIDZIISA-N 0 0 315.417 3.160 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1cccc(Br)c1C#N ZINC000425262155 527499288 /nfs/dbraw/zinc/49/92/88/527499288.db2.gz GBMABEGNOHTTOK-HZMBPMFUSA-N 0 0 307.191 3.324 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC[C@H](C)[S@@](C)=O ZINC000337608629 527507136 /nfs/dbraw/zinc/50/71/36/527507136.db2.gz SCAFNAQKQOLNCE-YEJXKQKISA-N 0 0 308.447 3.084 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000442657962 527519001 /nfs/dbraw/zinc/51/90/01/527519001.db2.gz ZECVHEWSVDYDPD-IBGZPJMESA-N 0 0 317.429 3.307 10 30 DGEERN C=CCN(C(=O)CCCC#CC)c1nc(C(=O)OCC)cs1 ZINC000342318234 527532626 /nfs/dbraw/zinc/53/26/26/527532626.db2.gz LDQKFLZGEXOWSN-UHFFFAOYSA-N 0 0 320.414 3.032 10 30 DGEERN C=CCN(C(=O)CC(C)(C)C)c1nc(C(=O)OCC)cs1 ZINC000337068509 527533587 /nfs/dbraw/zinc/53/35/87/527533587.db2.gz VZPRLKYDZYPUQX-UHFFFAOYSA-N 0 0 310.419 3.275 10 30 DGEERN C=CCN(C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1)C1CC1 ZINC000378387742 527540035 /nfs/dbraw/zinc/54/00/35/527540035.db2.gz FJNAJWBISMGHCE-RDJZCZTQSA-N 0 0 300.402 3.124 10 30 DGEERN C=C[C@H](CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000129334766 527573510 /nfs/dbraw/zinc/57/35/10/527573510.db2.gz NEYWLUVNTIFSBE-CRAIPNDOSA-N 0 0 309.413 3.444 10 30 DGEERN C=C[C@H](CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000181377667 527574298 /nfs/dbraw/zinc/57/42/98/527574298.db2.gz BENAFAAXSWZHQB-GDBMZVCRSA-N 0 0 310.401 3.218 10 30 DGEERN C=C[C@H](CC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000134994030 527575465 /nfs/dbraw/zinc/57/54/65/527575465.db2.gz YVNKHEUHKOLRSL-NVXWUHKLSA-N 0 0 309.413 3.096 10 30 DGEERN C=C[C@H](CC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000131698956 527575702 /nfs/dbraw/zinc/57/57/02/527575702.db2.gz SYRNXTKIWSLOHQ-APWZRJJASA-N 0 0 322.408 3.421 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H](CO)c1ccsc1)c1ccccc1 ZINC000356253561 527577548 /nfs/dbraw/zinc/57/75/48/527577548.db2.gz LDOXJOSUZTUXBU-CJNGLKHVSA-N 0 0 301.411 3.258 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccccc1 ZINC000179378123 527577556 /nfs/dbraw/zinc/57/75/56/527577556.db2.gz PNXOXFZGRLUEAU-DJKXOVBDSA-N 0 0 307.393 3.121 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1sccc1Br ZINC000417620171 527578539 /nfs/dbraw/zinc/57/85/39/527578539.db2.gz CQEMOZMOFUXRCL-MRVPVSSYSA-N 0 0 304.209 3.020 10 30 DGEERN C=CCN(C)c1nnc(CN2CCCc3ccccc32)n1CC=C ZINC000337812122 527578984 /nfs/dbraw/zinc/57/89/84/527578984.db2.gz LOQQNRVHMMRHHB-UHFFFAOYSA-N 0 0 323.444 3.039 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000346504249 527619900 /nfs/dbraw/zinc/61/99/00/527619900.db2.gz ZHJNVIZTOAHVJU-ZHALLVOQSA-N 0 0 317.429 3.252 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1cnc(C)cn1 ZINC000427665555 527630496 /nfs/dbraw/zinc/63/04/96/527630496.db2.gz XKKINTLLJPBWOX-ZIAGYGMSSA-N 0 0 305.447 3.168 10 30 DGEERN C=CCN(CC=C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000337269797 527638721 /nfs/dbraw/zinc/63/87/21/527638721.db2.gz MFPRXOHHOBMTSZ-UHFFFAOYSA-N 0 0 320.190 3.140 10 30 DGEERN C=CCN(CC=C)c1nnc(CCCc2cccs2)n1C ZINC000350139294 527651190 /nfs/dbraw/zinc/65/11/90/527651190.db2.gz ODUSWXYAERBXHA-UHFFFAOYSA-N 0 0 302.447 3.230 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)NCC2CCC(C#N)CC2)C1(C)C ZINC000442720594 527896724 /nfs/dbraw/zinc/89/67/24/527896724.db2.gz JVCXSKHWSLSEEJ-SSHXOBKSSA-N 0 0 321.465 3.161 10 30 DGEERN CCCCCCCCCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177365085 528128109 /nfs/dbraw/zinc/12/81/09/528128109.db2.gz SPZKXAMGXRIPRG-CQSZACIVSA-N 0 0 307.442 3.163 10 30 DGEERN CC(C)c1ccccc1NC(=O)[C@@H](C#N)c1ccc([N+](=O)[O-])cn1 ZINC000359917048 528198616 /nfs/dbraw/zinc/19/86/16/528198616.db2.gz LDYCHYGDNMITJV-AWEZNQCLSA-N 0 0 324.340 3.359 10 30 DGEERN CC(C)C[C@H](C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000184657327 528452755 /nfs/dbraw/zinc/45/27/55/528452755.db2.gz CBKBIWPLNCCPBN-FUHWJXTLSA-N 0 0 313.445 3.078 10 30 DGEERN CCN(C[C@@H](C)C#N)C[C@H](O)COc1ccccc1C(C)C ZINC000157667543 528634673 /nfs/dbraw/zinc/63/46/73/528634673.db2.gz WTVUELXOZCLTDX-HOTGVXAUSA-N 0 0 304.434 3.031 10 30 DGEERN CC(C)n1nnnc1CNc1ccccc1SC[C@@H](C)C#N ZINC000108355182 528701071 /nfs/dbraw/zinc/70/10/71/528701071.db2.gz UTVPQRSTOVKWAL-LBPRGKRZSA-N 0 0 316.434 3.118 10 30 DGEERN CC1(C)CCCN(Cc2ncc(Br)s2)[C@H]1C#N ZINC000434500179 528939381 /nfs/dbraw/zinc/93/93/81/528939381.db2.gz ATLMUJGTAJBLQW-VIFPVBQESA-N 0 0 314.252 3.420 10 30 DGEERN CCc1cccc(N(C#N)CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000177115608 529174599 /nfs/dbraw/zinc/17/45/99/529174599.db2.gz KKFWNHFSZXVTOI-UHFFFAOYSA-N 0 0 324.428 3.221 10 30 DGEERN CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177931011 529231637 /nfs/dbraw/zinc/23/16/37/529231637.db2.gz XJEGVPMZRRXUIJ-KGLIPLIRSA-N 0 0 307.394 3.493 10 30 DGEERN CC[C@H]1CCc2nc(NC(=O)c3ccc(C#N)n3C)sc2C1 ZINC000448744266 529259155 /nfs/dbraw/zinc/25/91/55/529259155.db2.gz AWSLHHCWMOIERK-JTQLQIEISA-N 0 0 314.414 3.120 10 30 DGEERN CC[C@@H](C#N)NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000123824317 529268639 /nfs/dbraw/zinc/26/86/39/529268639.db2.gz NEYWIIURAGAWNP-HKUYNNGSSA-N 0 0 319.408 3.209 10 30 DGEERN COC[C@@](C)(C#N)NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000489170110 536794334 /nfs/dbraw/zinc/79/43/34/536794334.db2.gz KALIEZURWJQGIR-OOFWQKGWSA-N 0 0 300.402 3.258 10 30 DGEERN CCOCCOC(=NC(=O)c1ccccc1F)NCCC(C)C ZINC000004590179 545646779 /nfs/dbraw/zinc/64/67/79/545646779.db2.gz SYROKVSPGQUMEQ-UHFFFAOYSA-N 0 0 324.396 3.011 10 30 DGEERN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000151096140 545991264 /nfs/dbraw/zinc/99/12/64/545991264.db2.gz FKLKMBFTXWICMA-CHWSQXEVSA-N 0 0 313.319 3.046 10 30 DGEERN Cc1nc([C@@H](C)NC(=O)N2CCC(c3cc[nH]n3)CC2)cs1 ZINC000329145833 546483527 /nfs/dbraw/zinc/48/35/27/546483527.db2.gz AIAVUOCKRIKZCE-SNVBAGLBSA-N 0 0 319.434 3.029 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329741073 546492106 /nfs/dbraw/zinc/49/21/06/546492106.db2.gz VUDCOLBLMQKOHG-QBWPOKONSA-N 0 0 315.413 3.234 10 30 DGEERN C=CCOc1ccc(C[NH2+]CCc2cccc(C(=O)[O-])c2)cc1 ZINC000426693290 546811220 /nfs/dbraw/zinc/81/12/20/546811220.db2.gz CKYGUVOJJSJOAH-UHFFFAOYSA-N 0 0 311.381 3.282 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](C)OCC2CC2)cc1 ZINC000730429236 574529078 /nfs/dbraw/zinc/52/90/78/574529078.db2.gz JAJAVSZMJFUTPL-ZIAGYGMSSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1cccc(OC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000730497691 574530340 /nfs/dbraw/zinc/53/03/40/574530340.db2.gz LUDMQZOIKJMILE-OALUTQOASA-N 0 0 322.360 3.416 10 30 DGEERN N#Cc1ccsc1C(=O)O[C@@H]1CCCc2ccccc2C1=O ZINC000731515821 574551352 /nfs/dbraw/zinc/55/13/52/574551352.db2.gz KHFIYUKKSAUMRQ-CQSZACIVSA-N 0 0 311.362 3.364 10 30 DGEERN C=CCCOCC(=O)OCCc1cccc(C(F)(F)F)c1 ZINC000731553478 574552150 /nfs/dbraw/zinc/55/21/50/574552150.db2.gz VIFODBLVYMNNGV-UHFFFAOYSA-N 0 0 302.292 3.384 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)/C=C/C2CCOCC2)cc1 ZINC000732709463 574579427 /nfs/dbraw/zinc/57/94/27/574579427.db2.gz ATTTXOPBFQCNKK-ULYATVDSSA-N 0 0 314.381 3.286 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)C2CCSCC2)cc1 ZINC000733053055 574593251 /nfs/dbraw/zinc/59/32/51/574593251.db2.gz CCJUXUBJIVDQDD-CYBMUJFWSA-N 0 0 304.411 3.446 10 30 DGEERN C#CCCNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000733246469 574609829 /nfs/dbraw/zinc/60/98/29/574609829.db2.gz IXKWPODAUJIMAR-IBGZPJMESA-N 0 0 317.392 3.134 10 30 DGEERN C#CCCNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000733246763 574609834 /nfs/dbraw/zinc/60/98/34/574609834.db2.gz DBGDMFJXNKMREL-UHFFFAOYSA-N 0 0 306.724 3.196 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000733246412 574609840 /nfs/dbraw/zinc/60/98/40/574609840.db2.gz FKIJORRVGVCKMG-UHFFFAOYSA-N 0 0 323.327 3.090 10 30 DGEERN C#CCCNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000733248111 574610085 /nfs/dbraw/zinc/61/00/85/574610085.db2.gz YLMVNZXQPVUPIC-UHFFFAOYSA-N 0 0 320.230 3.400 10 30 DGEERN C#CCCNC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000733287583 574612903 /nfs/dbraw/zinc/61/29/03/574612903.db2.gz IVWMTUURXNCDAJ-UHFFFAOYSA-N 0 0 316.451 3.497 10 30 DGEERN C#CCCNC(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC000733355743 574617592 /nfs/dbraw/zinc/61/75/92/574617592.db2.gz CEAZEYMBXMGQQP-UHFFFAOYSA-N 0 0 314.429 3.073 10 30 DGEERN C#CCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000733618016 574632023 /nfs/dbraw/zinc/63/20/23/574632023.db2.gz RCQFEIHBVUZMGW-UHFFFAOYSA-N 0 0 305.809 3.475 10 30 DGEERN C#CCCNC(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000733628398 574632824 /nfs/dbraw/zinc/63/28/24/574632824.db2.gz YWVPZIJOPQBWCP-UHFFFAOYSA-N 0 0 300.280 3.249 10 30 DGEERN C#CCCNC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000733644314 574633060 /nfs/dbraw/zinc/63/30/60/574633060.db2.gz BBLZVPXALQGSHQ-UHFFFAOYSA-N 0 0 320.392 3.111 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1F)c1ccccn1 ZINC000733691524 574633888 /nfs/dbraw/zinc/63/38/88/574633888.db2.gz VWCJKKZOKWZWNQ-DYVFJYSZSA-N 0 0 313.328 3.296 10 30 DGEERN C=C(CSc1nccn1-c1cccc(OC)c1)C(=O)OCC ZINC000733871928 574641107 /nfs/dbraw/zinc/64/11/07/574641107.db2.gz YZKJTJXNEKQPCA-UHFFFAOYSA-N 0 0 318.398 3.092 10 30 DGEERN C=C(COC(=O)C[C@H]1CCCc2ccccc21)C(=O)OCC ZINC000734033418 574647811 /nfs/dbraw/zinc/64/78/11/574647811.db2.gz QKYRLOHUGQLGLD-OAHLLOKOSA-N 0 0 302.370 3.159 10 30 DGEERN C=C(COC(=O)[C@H](c1ccccc1)[C@H](C)CC)C(=O)OCC ZINC000734022848 574648327 /nfs/dbraw/zinc/64/83/27/574648327.db2.gz KSXAXUWMWOCWGK-CJNGLKHVSA-N 0 0 304.386 3.479 10 30 DGEERN C=C(COC(=O)c1ccccc1SC(C)C)C(=O)OCC ZINC000734023754 574648464 /nfs/dbraw/zinc/64/84/64/574648464.db2.gz BDOYAVAUNREALF-UHFFFAOYSA-N 0 0 308.399 3.463 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C)CC1 ZINC000734215695 574653893 /nfs/dbraw/zinc/65/38/93/574653893.db2.gz BDQCFLHREVEMLZ-OAHLLOKOSA-N 0 0 300.402 3.030 10 30 DGEERN C=CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccncc1 ZINC000734237309 574654877 /nfs/dbraw/zinc/65/48/77/574654877.db2.gz NMCAYVCBXPVSME-PBHICJAKSA-N 0 0 321.380 3.154 10 30 DGEERN C=CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccncc1 ZINC000734456369 574662855 /nfs/dbraw/zinc/66/28/55/574662855.db2.gz XREKDGAMVQHCAM-INIZCTEOSA-N 0 0 311.341 3.345 10 30 DGEERN C=C(C)CNC(=S)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000734380783 574658725 /nfs/dbraw/zinc/65/87/25/574658725.db2.gz VHAFSFOXHDNSNU-UHFFFAOYSA-N 0 0 308.422 3.120 10 30 DGEERN C=CC[C@@H](NC(=O)c1coc(Br)c1)c1ccncc1 ZINC000734457853 574662991 /nfs/dbraw/zinc/66/29/91/574662991.db2.gz QFNLVECVMWOGPP-GFCCVEGCSA-N 0 0 321.174 3.484 10 30 DGEERN C=CC[C@H](NC(=O)c1ccc(-c2ncon2)cc1)c1ccncc1 ZINC000734456231 574662555 /nfs/dbraw/zinc/66/25/55/574662555.db2.gz UJIISWQKPXKJIK-INIZCTEOSA-N 0 0 320.352 3.179 10 30 DGEERN C#CCCNC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000734934675 574683870 /nfs/dbraw/zinc/68/38/70/574683870.db2.gz CLCFQOLQUUBSQP-UHFFFAOYSA-N 0 0 318.442 3.244 10 30 DGEERN CCCCCC[C@@H](CC)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000735012778 574685630 /nfs/dbraw/zinc/68/56/30/574685630.db2.gz HYXLPZSPVNIOOC-NVXWUHKLSA-N 0 0 305.466 3.182 10 30 DGEERN Cc1noc(C)c1CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735308021 574696334 /nfs/dbraw/zinc/69/63/34/574696334.db2.gz BMTTUMBDIIVDFI-UHFFFAOYSA-N 0 0 319.792 3.479 10 30 DGEERN CCn1cnnc1SCc1cc(Cl)ccc1OCC#N ZINC000735230198 574691991 /nfs/dbraw/zinc/69/19/91/574691991.db2.gz GBBDXDXJZOGOMP-UHFFFAOYSA-N 0 0 308.794 3.146 10 30 DGEERN Cc1nc(CSCc2cc(Cl)ccc2OCC#N)no1 ZINC000735318695 574697448 /nfs/dbraw/zinc/69/74/48/574697448.db2.gz OHIAFDKXNRBZRJ-UHFFFAOYSA-N 0 0 309.778 3.367 10 30 DGEERN C=CCCCN(C)C(=S)Nc1ccc(C(=O)OCC)cc1 ZINC000736450248 574754014 /nfs/dbraw/zinc/75/40/14/574754014.db2.gz OFKNZICUTJOONX-UHFFFAOYSA-N 0 0 306.431 3.458 10 30 DGEERN C=CCCCN(C)Cn1nnn(-c2ccc(C)c(C)c2)c1=S ZINC000736590325 574760062 /nfs/dbraw/zinc/76/00/62/574760062.db2.gz SZIOEUDAXOQMLZ-UHFFFAOYSA-N 0 0 317.462 3.271 10 30 DGEERN C=CCCCN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000736604177 574760641 /nfs/dbraw/zinc/76/06/41/574760641.db2.gz CYBQSILSZVUFRI-NTMALXAHSA-N 0 0 304.346 3.183 10 30 DGEERN C#CCSCCNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000740025192 574919460 /nfs/dbraw/zinc/91/94/60/574919460.db2.gz DQDYNHMSAKWFMS-CQSZACIVSA-N 0 0 316.470 3.292 10 30 DGEERN C#CCSCCNC(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000740071401 574921986 /nfs/dbraw/zinc/92/19/86/574921986.db2.gz KQPFAMLKYUTKPD-LLVKDONJSA-N 0 0 312.385 3.034 10 30 DGEERN C=CCCOC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000740250093 574929565 /nfs/dbraw/zinc/92/95/65/574929565.db2.gz GUIDINCOUIDAST-UHFFFAOYSA-N 0 0 322.158 3.436 10 30 DGEERN C=CCCCOC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000741343344 574956218 /nfs/dbraw/zinc/95/62/18/574956218.db2.gz CBRAPZUISHAMFR-UHFFFAOYSA-N 0 0 320.408 3.091 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000741521451 574961372 /nfs/dbraw/zinc/96/13/72/574961372.db2.gz QOWVXBXDUBRCGJ-UHFFFAOYSA-N 0 0 309.369 3.263 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H](C)Cc2cccc(OC)c2)cc1 ZINC000741563754 574963022 /nfs/dbraw/zinc/96/30/22/574963022.db2.gz VGQRUVXNTHAWHS-HNNXBMFYSA-N 0 0 323.392 3.068 10 30 DGEERN Cc1nnc(-c2ccc(NC(=O)c3sccc3C#N)cc2)o1 ZINC000741944319 574977150 /nfs/dbraw/zinc/97/71/50/574977150.db2.gz OIBALOITTMUHLL-UHFFFAOYSA-N 0 0 310.338 3.231 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1noc2c1CCCC2 ZINC000742262513 574988464 /nfs/dbraw/zinc/98/84/64/574988464.db2.gz ZAJGYLKTOOGACH-UHFFFAOYSA-N 0 0 300.333 3.317 10 30 DGEERN C=C(C)CNC(=S)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000743015297 575029985 /nfs/dbraw/zinc/02/99/85/575029985.db2.gz ZXWGFLNCOYCGJX-UHFFFAOYSA-N 0 0 320.458 3.182 10 30 DGEERN FC(F)(F)c1ccc(NN=Cc2cnn3ccccc23)nc1 ZINC000729632458 575258164 /nfs/dbraw/zinc/25/81/64/575258164.db2.gz AEUSRKNBELVRGG-UHFFFAOYSA-N 0 0 305.263 3.194 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000729749825 575262134 /nfs/dbraw/zinc/26/21/34/575262134.db2.gz KRWMTDHONRYVFU-MJBXVCDLSA-N 0 0 309.406 3.284 10 30 DGEERN COc1ccc(/C=C/C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000729835378 575263838 /nfs/dbraw/zinc/26/38/38/575263838.db2.gz MCORTBHLSJAHIT-WEVVVXLNSA-N 0 0 310.328 3.036 10 30 DGEERN C#CCN1CCC[C@H]1COC(=O)c1sc(C(C)(C)C)nc1C ZINC000729812108 575263867 /nfs/dbraw/zinc/26/38/67/575263867.db2.gz LWANWYJHMXXYSB-ZDUSSCGKSA-N 0 0 320.458 3.003 10 30 DGEERN C=CCOCC(=O)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000729895763 575265702 /nfs/dbraw/zinc/26/57/02/575265702.db2.gz ALPXWUUKUWDFQX-QGZVFWFLSA-N 0 0 301.317 3.056 10 30 DGEERN C#Cc1cccc(NC(=S)N2CCN(c3ccccc3)CC2)c1 ZINC000726434411 576022123 /nfs/dbraw/zinc/02/21/23/576022123.db2.gz ORHOTVPWHCDIDG-UHFFFAOYSA-N 0 0 321.449 3.187 10 30 DGEERN C=CCCOCC(=O)OCc1nc(-c2ccsc2)oc1C ZINC000726811815 576042323 /nfs/dbraw/zinc/04/23/23/576042323.db2.gz DGDWKHJEQXYSRN-UHFFFAOYSA-N 0 0 307.371 3.347 10 30 DGEERN C#CCCOC(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC000727042855 576097090 /nfs/dbraw/zinc/09/70/90/576097090.db2.gz UCUSQEOWRQSHKA-UHFFFAOYSA-N 0 0 314.410 3.148 10 30 DGEERN Cc1ccc([N-][NH+]=Cc2ccccc2N2CCO[C@@H](C)C2)nc1 ZINC000727260098 576116293 /nfs/dbraw/zinc/11/62/93/576116293.db2.gz QTVUQVVXVNTPKU-HNNXBMFYSA-N 0 0 310.401 3.061 10 30 DGEERN Cc1ccc(N=NCc2ccc(OC[C@@H]3CCCO3)cc2)nc1 ZINC000727260577 576116786 /nfs/dbraw/zinc/11/67/86/576116786.db2.gz ZKVLMBCSCFMGBB-KRWDZBQOSA-N 0 0 311.385 3.394 10 30 DGEERN C=C(C)COc1cccc(NC(=S)NC[C@H]2CCCO2)c1 ZINC000727285619 576117777 /nfs/dbraw/zinc/11/77/77/576117777.db2.gz XWLYHNAFQBTSNY-OAHLLOKOSA-N 0 0 306.431 3.107 10 30 DGEERN C#Cc1cccc(NC(=S)N[C@@H](C)c2nc(C)cs2)c1 ZINC000727659739 576137248 /nfs/dbraw/zinc/13/72/48/576137248.db2.gz RBDYZAXEWOSOLW-NSHDSACASA-N 0 0 301.440 3.480 10 30 DGEERN Cc1cc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)ccc1O ZINC000728230723 576170910 /nfs/dbraw/zinc/17/09/10/576170910.db2.gz GLAITGFOJNEDFX-YWEYNIOJSA-N 0 0 305.337 3.177 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000728480080 576184111 /nfs/dbraw/zinc/18/41/11/576184111.db2.gz BRRLVJAVLSKJSP-UHFFFAOYSA-N 0 0 317.388 3.392 10 30 DGEERN C#Cc1ccc(C(=O)Nc2nc3ccc(CC)cc3s2)cn1 ZINC000728801339 576205994 /nfs/dbraw/zinc/20/59/94/576205994.db2.gz RLDQDCJENJXGTB-UHFFFAOYSA-N 0 0 307.378 3.487 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)nc1 ZINC000728812103 576208249 /nfs/dbraw/zinc/20/82/49/576208249.db2.gz OYXCLCNATDFQJN-UHFFFAOYSA-N 0 0 320.270 3.256 10 30 DGEERN C#Cc1ccc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cn1 ZINC000728862470 576221345 /nfs/dbraw/zinc/22/13/45/576221345.db2.gz QMIZHXLNVSPRHX-UHFFFAOYSA-N 0 0 303.365 3.091 10 30 DGEERN C=C[C@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000154137179 620642524 /nfs/dbraw/zinc/64/25/24/620642524.db2.gz WXWVLJSOUKCOPO-LBPRGKRZSA-N 0 0 304.390 3.016 10 30 DGEERN COCCCOc1cccc(C(=O)O[C@@H](C#N)C(C)(C)C)c1 ZINC000154490200 620682247 /nfs/dbraw/zinc/68/22/47/620682247.db2.gz SOFGAGJXMTYKLJ-HNNXBMFYSA-N 0 0 305.374 3.197 10 30 DGEERN COc1ccc(C#N)cc1CN(C)Cc1ccc(Cl)nc1 ZINC000154524811 620684419 /nfs/dbraw/zinc/68/44/19/620684419.db2.gz XZYZYGZZQKVCMK-UHFFFAOYSA-N 0 0 301.777 3.247 10 30 DGEERN COCCOCc1cc(C(=O)O[C@@H](C#N)C(C)(C)C)ccc1F ZINC000154558027 620686681 /nfs/dbraw/zinc/68/66/81/620686681.db2.gz YYHQKHPVCWVVQG-HNNXBMFYSA-N 0 0 323.364 3.084 10 30 DGEERN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267158 618984343 /nfs/dbraw/zinc/98/43/43/618984343.db2.gz DGWXXHUYQIBJSH-LRDDRELGSA-N 0 0 307.397 3.352 10 30 DGEERN C=CCC(CC=C)C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000151308754 620438231 /nfs/dbraw/zinc/43/82/31/620438231.db2.gz RGRHAOPVZSSRAY-UHFFFAOYSA-N 0 0 302.296 3.283 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)COc2c(C)nn(C)c2C)CC1 ZINC000151658917 620468616 /nfs/dbraw/zinc/46/86/16/620468616.db2.gz WRJGVECTPDKHOR-MRXNPFEDSA-N 0 0 318.417 3.262 10 30 DGEERN C#C[C@H](OC(=O)c1cccnc1SC(F)(F)F)C1CC1 ZINC000152650531 620516388 /nfs/dbraw/zinc/51/63/88/620516388.db2.gz BAIALYWOARSDTO-JTQLQIEISA-N 0 0 301.289 3.262 10 30 DGEERN C#CCN(CC#C)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000152947777 620529395 /nfs/dbraw/zinc/52/93/95/620529395.db2.gz SWYQVPIPSYHMFL-UHFFFAOYSA-N 0 0 301.345 3.224 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccc(N(C)C)c1 ZINC000153907014 620621897 /nfs/dbraw/zinc/62/18/97/620621897.db2.gz ZYWCLFRBLPVVSG-CQSZACIVSA-N 0 0 324.380 3.135 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc(-c2ncon2)cc1)c1ccccn1 ZINC000113661411 620935093 /nfs/dbraw/zinc/93/50/93/620935093.db2.gz PPHHETPOFFVLNR-INIZCTEOSA-N 0 0 319.320 3.053 10 30 DGEERN C#CC[C@H](OC(=O)CO[C@H]1CCCC[C@H]1C)c1ccccn1 ZINC000113662981 620935149 /nfs/dbraw/zinc/93/51/49/620935149.db2.gz BOIKFNXBSJHWIC-PVAVHDDUSA-N 0 0 301.386 3.285 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)c2ccc(CC)s2)c1 ZINC000103061320 621242156 /nfs/dbraw/zinc/24/21/56/621242156.db2.gz CUJSOIXLXLMPDL-UHFFFAOYSA-N 0 0 305.424 3.117 10 30 DGEERN C[C@H](OC(=O)c1sccc1C#N)c1ccc([N+](=O)[O-])cc1 ZINC000118989967 621604883 /nfs/dbraw/zinc/60/48/83/621604883.db2.gz RNHCTHIFHMOQCJ-VIFPVBQESA-N 0 0 302.311 3.446 10 30 DGEERN C#CCOCCC(=O)O[C@@H](c1ccccc1)c1ccccc1OC ZINC000119027465 621608486 /nfs/dbraw/zinc/60/84/86/621608486.db2.gz HVRWUSMFEKITGR-FQEVSTJZSA-N 0 0 324.376 3.368 10 30 DGEERN N#Cc1ccc(OCCOC(=O)c2cccc3ncccc32)cc1 ZINC000014366533 621629188 /nfs/dbraw/zinc/62/91/88/621629188.db2.gz ZDRCIFNKYHDCLI-UHFFFAOYSA-N 0 0 318.332 3.342 10 30 DGEERN N#C[C@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000119954267 621755052 /nfs/dbraw/zinc/75/50/52/621755052.db2.gz VPZFELALPHQGSV-LBPRGKRZSA-N 0 0 314.291 3.199 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000120148611 621791728 /nfs/dbraw/zinc/79/17/28/621791728.db2.gz OBGNEQIYXMZMPK-AWEZNQCLSA-N 0 0 324.380 3.478 10 30 DGEERN N#Cc1ccc(C2=NNC(=NCc3ccc(F)cc3)SC2)cc1 ZINC000015453044 621860872 /nfs/dbraw/zinc/86/08/72/621860872.db2.gz HPSZQJQTDFEGPV-UHFFFAOYSA-N 0 0 324.384 3.294 10 30 DGEERN C=C(Br)CN1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000120866426 622033995 /nfs/dbraw/zinc/03/39/95/622033995.db2.gz CTVSAVPDPMTXHU-GFCCVEGCSA-N 0 0 310.191 3.062 10 30 DGEERN CC(=O)CCc1ccc(O[C@H](C)C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000121602783 622166139 /nfs/dbraw/zinc/16/61/39/622166139.db2.gz OOQSDUJJBBCUPP-PBHICJAKSA-N 0 0 317.385 3.067 10 30 DGEERN C=CC1CCN(C(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000122225702 622262739 /nfs/dbraw/zinc/26/27/39/622262739.db2.gz JFCNZAQPHXYNQL-SFHVURJKSA-N 0 0 322.449 3.201 10 30 DGEERN C#CCN(C(=O)N[C@H](C)c1c(F)cccc1OC)C1CCCC1 ZINC000122953641 622434530 /nfs/dbraw/zinc/43/45/30/622434530.db2.gz LLEAHKXKSBLPJM-CYBMUJFWSA-N 0 0 318.392 3.483 10 30 DGEERN CC(=O)c1c(C)cccc1NCC(=O)Nc1ccc(C#N)cc1 ZINC000125107239 623317444 /nfs/dbraw/zinc/31/74/44/623317444.db2.gz RFINJUANZZKZES-UHFFFAOYSA-N 0 0 307.353 3.120 10 30 DGEERN C#CCOCCC(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000126438143 623835537 /nfs/dbraw/zinc/83/55/37/623835537.db2.gz OGOCJYAOPPSUAR-MRXNPFEDSA-N 0 0 317.429 3.329 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)OC1(C)CCC1 ZINC000126880347 624148561 /nfs/dbraw/zinc/14/85/61/624148561.db2.gz QSMSALUSNHGYRT-UHFFFAOYSA-N 0 0 303.358 3.212 10 30 DGEERN C[C@H](OC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)C(C)(C)C#N ZINC000130627575 625881173 /nfs/dbraw/zinc/88/11/73/625881173.db2.gz MPPDBFXKURCQAK-XUJVJEKNSA-N 0 0 314.385 3.376 10 30 DGEERN C#CCSCCNC(=O)c1sccc1SC(F)F ZINC000130691394 625891967 /nfs/dbraw/zinc/89/19/67/625891967.db2.gz AHCSUAGAPCRHHC-UHFFFAOYSA-N 0 0 307.412 3.159 10 30 DGEERN C[C@H](OC(=O)c1cccc(OCC(F)(F)F)n1)C(C)(C)C#N ZINC000131115599 625944857 /nfs/dbraw/zinc/94/48/57/625944857.db2.gz YUEAMBBDLBTJTP-VIFPVBQESA-N 0 0 316.279 3.118 10 30 DGEERN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000131500108 626645549 /nfs/dbraw/zinc/64/55/49/626645549.db2.gz PYTAXWPFHIOUIR-KGLIPLIRSA-N 0 0 318.417 3.139 10 30 DGEERN C=CCNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000131631722 626661141 /nfs/dbraw/zinc/66/11/41/626661141.db2.gz MQTLCZLWPOQLKY-KBPBESRZSA-N 0 0 310.438 3.152 10 30 DGEERN C#CCN(C(=O)c1cc(CC(C)C)[nH]c(=O)c1)C1CCCC1 ZINC000134146906 626859240 /nfs/dbraw/zinc/85/92/40/626859240.db2.gz DIEQRKQSMKJTFK-UHFFFAOYSA-N 0 0 300.402 3.004 10 30 DGEERN C#C[C@@H](OC(=O)CCCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000134166531 626861243 /nfs/dbraw/zinc/86/12/43/626861243.db2.gz KDXBCFOQXLXJDM-QGZVFWFLSA-N 0 0 300.354 3.003 10 30 DGEERN CCCc1cc(NC(=O)c2ccccc2SCC#N)n[nH]1 ZINC000134630788 626883800 /nfs/dbraw/zinc/88/38/00/626883800.db2.gz PPAYAFUDGXJYLX-UHFFFAOYSA-N 0 0 300.387 3.230 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nc(C2CCCC2)no1)C1CC1 ZINC000135274912 626919080 /nfs/dbraw/zinc/91/90/80/626919080.db2.gz XPGVGQJDMQBAGH-AWEZNQCLSA-N 0 0 302.374 3.005 10 30 DGEERN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000826785280 627544801 /nfs/dbraw/zinc/54/48/01/627544801.db2.gz OKPJLDVSBWUROJ-QWRGUYRKSA-N 0 0 312.295 3.196 10 30 DGEERN CC(=O)c1cccc(OCCCC(=O)O[C@H](C#N)C(C)C)c1 ZINC000121472464 630176733 /nfs/dbraw/zinc/17/67/33/630176733.db2.gz DBPLJXWXAQLTJQ-MRXNPFEDSA-N 0 0 303.358 3.140 10 30 DGEERN C#CCCCOC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000105760726 631081832 /nfs/dbraw/zinc/08/18/32/631081832.db2.gz STMIERPQXZEZER-UHFFFAOYSA-N 0 0 323.348 3.148 10 30 DGEERN CCOc1ccccc1OCCCC(=O)O[C@@H](C#N)C(C)C ZINC000121591551 631200910 /nfs/dbraw/zinc/20/09/10/631200910.db2.gz RAMBTXUMWPSEMO-INIZCTEOSA-N 0 0 305.374 3.336 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCC#Cc2ccccc2)c1 ZINC000106986656 631496137 /nfs/dbraw/zinc/49/61/37/631496137.db2.gz NUGOOIDYODDLME-OALUTQOASA-N 0 0 306.361 3.394 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CC[C@@H]1CCCO1 ZINC000107059932 631517393 /nfs/dbraw/zinc/51/73/93/631517393.db2.gz WEEPBSFYWTZDJI-CABCVRRESA-N 0 0 302.370 3.262 10 30 DGEERN COc1ccc(-c2ccc(C(=O)N[C@H](C)C#N)c(F)c2)c(F)c1 ZINC000107233101 631570360 /nfs/dbraw/zinc/57/03/60/631570360.db2.gz ZXRHBLVZJKOKQN-SNVBAGLBSA-N 0 0 316.307 3.282 10 30 DGEERN N#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007364472 632115969 /nfs/dbraw/zinc/11/59/69/632115969.db2.gz BSMPDDQVEASDNN-GOSISDBHSA-N 0 0 319.364 3.318 10 30 DGEERN C=CCN(CC(=O)OCC)Cc1csc(Br)c1 ZINC000110054356 632442872 /nfs/dbraw/zinc/44/28/72/632442872.db2.gz QLHMIULXVHXLSF-UHFFFAOYSA-N 0 0 318.236 3.062 10 30 DGEERN COc1ccsc1C(=O)/C=C/c1cnc2ccc(C#N)cn12 ZINC000184767793 660186098 /nfs/dbraw/zinc/18/60/98/660186098.db2.gz JLMSCLVMWXWFSL-ONEGZZNKSA-N 0 0 309.350 3.172 10 30 DGEERN CC(C)(CC#N)COC(=O)C1(c2ccccc2)CCOCC1 ZINC000184784210 660187202 /nfs/dbraw/zinc/18/72/02/660187202.db2.gz NQMPSXVKCLDTBX-UHFFFAOYSA-N 0 0 301.386 3.218 10 30 DGEERN C#CCCCCCOC(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000185325868 660215931 /nfs/dbraw/zinc/21/59/31/660215931.db2.gz TWTJDFLUQXJREL-UHFFFAOYSA-N 0 0 301.386 3.129 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000185627334 660234523 /nfs/dbraw/zinc/23/45/23/660234523.db2.gz PLMHCZFFRGXETM-UHFFFAOYSA-N 0 0 318.486 3.004 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000185763513 660239673 /nfs/dbraw/zinc/23/96/73/660239673.db2.gz CQWSGEQMQCEGGT-MRXNPFEDSA-N 0 0 312.413 3.069 10 30 DGEERN C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000073091439 660239847 /nfs/dbraw/zinc/23/98/47/660239847.db2.gz FKHVYANLVNGQBV-CQSZACIVSA-N 0 0 314.385 3.055 10 30 DGEERN C#C[C@H](C)NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000185969939 660257523 /nfs/dbraw/zinc/25/75/23/660257523.db2.gz XDBFPBDQQCWYHO-LBPRGKRZSA-N 0 0 314.335 3.375 10 30 DGEERN CC(C)OC[C@@H](O)CNc1ccccc1S[C@H](C)CC#N ZINC000186069750 660265030 /nfs/dbraw/zinc/26/50/30/660265030.db2.gz DNKLBBLFMOGACE-KGLIPLIRSA-N 0 0 308.447 3.279 10 30 DGEERN C#CCN(CC#C)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186186376 660334695 /nfs/dbraw/zinc/33/46/95/660334695.db2.gz YNTZFUZGNDEKJF-UHFFFAOYSA-N 0 0 307.315 3.123 10 30 DGEERN C=CCCCN(C)Cn1nc(-c2ccc(OC)cc2)[nH]c1=S ZINC000076665173 660609862 /nfs/dbraw/zinc/60/98/62/660609862.db2.gz RBKCOOIAUMHJOL-UHFFFAOYSA-N 0 0 318.446 3.472 10 30 DGEERN N#Cc1sc(NC[C@@H]2Cc3ccccc3CO2)nc1Cl ZINC000700337146 660621673 /nfs/dbraw/zinc/62/16/73/660621673.db2.gz FALHUKAPOLTQMU-NSHDSACASA-N 0 0 305.790 3.222 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000700593643 660630210 /nfs/dbraw/zinc/63/02/10/660630210.db2.gz XTJYSYBFOCGVNB-LLVKDONJSA-N 0 0 312.196 3.244 10 30 DGEERN C#C[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000709611605 660930149 /nfs/dbraw/zinc/93/01/49/660930149.db2.gz HDXLPPRUHIFNBD-SNVBAGLBSA-N 0 0 307.166 3.309 10 30 DGEERN Cc1nn(C)c(C)c1C(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000254971723 655551230 /nfs/dbraw/zinc/55/12/30/655551230.db2.gz DFUKANKOGSYGGL-PLNGDYQASA-N 0 0 320.805 3.296 10 30 DGEERN C[C@H](ON=Cc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000254986305 655554266 /nfs/dbraw/zinc/55/42/66/655554266.db2.gz KTSVGUIAELOKLT-KBPBESRZSA-N 0 0 314.360 3.442 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)c1ccc(C#N)cc1 ZINC000305320238 655561125 /nfs/dbraw/zinc/56/11/25/655561125.db2.gz NYXBUADWCJWPSG-KRWDZBQOSA-N 0 0 324.336 3.307 10 30 DGEERN Cc1cc(C)c(C#N)c(N2CCS[C@H](C(F)(F)F)C2)n1 ZINC000721425483 655585791 /nfs/dbraw/zinc/58/57/91/655585791.db2.gz WUXAIWCMPXKASI-NSHDSACASA-N 0 0 301.337 3.054 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cc(F)c([O-])c(F)c1)C2=O ZINC000255067791 655589446 /nfs/dbraw/zinc/58/94/46/655589446.db2.gz LGRYVIRVJMRAGT-YHYXMXQVSA-N 0 0 318.275 3.338 10 30 DGEERN CN(CCc1ccc(F)cc1)C(=O)/C=C\c1ccccc1C#N ZINC000255067844 655589686 /nfs/dbraw/zinc/58/96/86/655589686.db2.gz ZYOBQYKUHCLQHS-FLIBITNWSA-N 0 0 308.356 3.412 10 30 DGEERN CC[C@@H](NC(=O)c1ccc(C=NOC)cc1)c1nccs1 ZINC000255086835 655596050 /nfs/dbraw/zinc/59/60/50/655596050.db2.gz KWZRCXWXYRPHMQ-CYBMUJFWSA-N 0 0 303.387 3.005 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nnc(-c2ccsc2)o1)C(C)C ZINC000177730151 655632353 /nfs/dbraw/zinc/63/23/53/655632353.db2.gz QYCMYAKGEOKBDM-CYBMUJFWSA-N 0 0 318.398 3.322 10 30 DGEERN C=C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000187577243 655665933 /nfs/dbraw/zinc/66/59/33/655665933.db2.gz WUKIJIJNRFPUJH-GFCCVEGCSA-N 0 0 308.399 3.134 10 30 DGEERN C=CCCOC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000156796324 655674442 /nfs/dbraw/zinc/67/44/42/655674442.db2.gz AOQIXFPIDFKXEG-UHFFFAOYSA-N 0 0 309.365 3.203 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000175875020 655675869 /nfs/dbraw/zinc/67/58/69/655675869.db2.gz MRMJDJHUFAPWIV-ZIAGYGMSSA-N 0 0 310.438 3.152 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nnc(C2CCCC2)o1)C(C)C ZINC000177936788 655678106 /nfs/dbraw/zinc/67/81/06/655678106.db2.gz VVEPUUXSGSYEHX-AWEZNQCLSA-N 0 0 304.390 3.251 10 30 DGEERN CON=Cc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000255306043 655695713 /nfs/dbraw/zinc/69/57/13/655695713.db2.gz 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/nfs/dbraw/zinc/73/98/77/655739877.db2.gz DXLMLRVEMIBIAD-JTQLQIEISA-N 0 0 307.300 3.034 10 30 DGEERN O=C(OCC#Cc1ccc(Cl)cc1)[C@@H]1CSCCS1 ZINC000176725022 655789194 /nfs/dbraw/zinc/78/91/94/655789194.db2.gz DWVQPIZRPYJEPV-ZDUSSCGKSA-N 0 0 312.843 3.083 10 30 DGEERN N#C[C@H](NC(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000712556785 661189292 /nfs/dbraw/zinc/18/92/92/661189292.db2.gz PFMRKJQDESZEIJ-JTQLQIEISA-N 0 0 302.683 3.391 10 30 DGEERN CC[C@](C)(C#N)C(=O)NCCc1sccc1Br ZINC000713029064 661189855 /nfs/dbraw/zinc/18/98/55/661189855.db2.gz SBIOYMHQIWEISJ-GFCCVEGCSA-N 0 0 315.236 3.109 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000161919333 655830328 /nfs/dbraw/zinc/83/03/28/655830328.db2.gz PVZFPRKPZHDUPO-UHFFFAOYSA-N 0 0 320.348 3.434 10 30 DGEERN C=CCC[C@@H](OC(=O)c1csc(-c2cnn(C)c2)n1)C1CC1 ZINC000159642989 655848777 /nfs/dbraw/zinc/84/87/77/655848777.db2.gz OKNFBAYLRSHOQM-CQSZACIVSA-N 0 0 317.414 3.445 10 30 DGEERN COc1ccccc1[C@@H](O)CNc1ccc2cc(C#N)ccc2n1 ZINC000179886146 655920107 /nfs/dbraw/zinc/92/01/07/655920107.db2.gz VSZDFGQKWINJND-KRWDZBQOSA-N 0 0 319.364 3.261 10 30 DGEERN C=CCc1ccc(OC(=O)c2ncccc2OCC)c(OC)c1 ZINC000177569648 655932881 /nfs/dbraw/zinc/93/28/81/655932881.db2.gz XJGSXGMTBGHRIQ-UHFFFAOYSA-N 0 0 313.353 3.437 10 30 DGEERN C=CCc1ccccc1OC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000066230371 655937585 /nfs/dbraw/zinc/93/75/85/655937585.db2.gz UQHYLUOURSBBRS-CQSZACIVSA-N 0 0 315.413 3.406 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(F)c(COCCOC)c1)C(C)C ZINC000177735807 655944052 /nfs/dbraw/zinc/94/40/52/655944052.db2.gz UUWCCUOCXMTUTE-QGZVFWFLSA-N 0 0 322.376 3.193 10 30 DGEERN COc1cccc(/C=N\[C@H](C)c2ccc3c(c2)OCCO3)c1O ZINC000255882711 655947739 /nfs/dbraw/zinc/94/77/39/655947739.db2.gz RKHRXDKEBNLRDL-ZDFPAGSVSA-N 0 0 313.353 3.352 10 30 DGEERN O=C(Cc1ccc(OC(F)F)cc1)OCC#Cc1ccccc1 ZINC000066519560 655953018 /nfs/dbraw/zinc/95/30/18/655953018.db2.gz XLGCGSYQBKCWSC-UHFFFAOYSA-N 0 0 316.303 3.425 10 30 DGEERN C#CCCCCC(=O)O[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 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Cc1cccc(NC(=O)CNc2ccccc2O[C@H](C)C#N)c1 ZINC000182596100 656106785 /nfs/dbraw/zinc/10/67/85/656106785.db2.gz PBDOITNUYIMKEB-CQSZACIVSA-N 0 0 309.369 3.337 10 30 DGEERN CCn1cc(C(=O)OCC2(C#N)CCOCC2)c2ccccc21 ZINC000183968968 656116174 /nfs/dbraw/zinc/11/61/74/656116174.db2.gz ZZNAXKVXNHIRJA-UHFFFAOYSA-N 0 0 312.369 3.138 10 30 DGEERN CC(C)c1noc2ncc(C(=O)OCC(C)(C)CC#N)cc21 ZINC000184760205 656121162 /nfs/dbraw/zinc/12/11/62/656121162.db2.gz FXMFKZOPMWHZBF-UHFFFAOYSA-N 0 0 301.346 3.443 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000187624702 656139348 /nfs/dbraw/zinc/13/93/48/656139348.db2.gz SEHGGHYQCGPNQW-BBRMVZONSA-N 0 0 307.415 3.202 10 30 DGEERN Cn1c(=O)sc2cc(/C=C/C(=O)c3cncc(F)c3)ccc21 ZINC000193137311 656185864 /nfs/dbraw/zinc/18/58/64/656185864.db2.gz NBKNWBAEBVBFCT-HWKANZROSA-N 0 0 314.341 3.030 10 30 DGEERN COc1cc(/C=C/C(=O)c2ccccc2C#N)cc2c1OCCO2 ZINC000194586520 656202394 /nfs/dbraw/zinc/20/23/94/656202394.db2.gz RICZRYKVTZOMAI-VOTSOKGWSA-N 0 0 321.332 3.234 10 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304.386 3.325 10 30 DGEERN C#Cc1cccc(N(C(=O)c2ccc3nnn(C)c3c2)C(C)C)c1 ZINC000183747512 657381607 /nfs/dbraw/zinc/38/16/07/657381607.db2.gz MLIJPWZCSCNGLR-UHFFFAOYSA-N 0 0 318.380 3.005 10 30 DGEERN C=CCOc1ccccc1C(=O)O[C@@H](C)CCn1cccn1 ZINC000183876978 657382308 /nfs/dbraw/zinc/38/23/08/657382308.db2.gz MMSNUPNXMORXPN-AWEZNQCLSA-N 0 0 300.358 3.084 10 30 DGEERN C#CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000184234865 657385086 /nfs/dbraw/zinc/38/50/86/657385086.db2.gz ZRZIBRIBKWCZTI-UHFFFAOYSA-N 0 0 306.337 3.120 10 30 DGEERN C#CCCCCCOC(=O)CCc1nc(-c2cccs2)no1 ZINC000185341078 657395524 /nfs/dbraw/zinc/39/55/24/657395524.db2.gz BEEWJHZFLMLKKI-UHFFFAOYSA-N 0 0 318.398 3.468 10 30 DGEERN CC#CCCCC(=O)OCc1ccccc1OC[C@H]1CCCO1 ZINC000186318300 657406945 /nfs/dbraw/zinc/40/69/45/657406945.db2.gz IRHYYAMCDAPWGP-QGZVFWFLSA-N 0 0 316.397 3.481 10 30 DGEERN COc1cccc(CO[C@@H](C)C(=O)OCC#Cc2ccccc2)c1 ZINC000121186175 657484572 /nfs/dbraw/zinc/48/45/72/657484572.db2.gz GLUZQIOTTGSSJB-INIZCTEOSA-N 0 0 324.376 3.195 10 30 DGEERN C#CCOc1ccccc1OC(=O)Cc1ccc(OCC)cc1 ZINC000303266416 657526147 /nfs/dbraw/zinc/52/61/47/657526147.db2.gz FIKZRBGQIHRHQJ-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN C#CCOc1cccc(/C=C2\N=C(c3cccs3)OC2=O)c1 ZINC000096544935 657533326 /nfs/dbraw/zinc/53/33/26/657533326.db2.gz BQFSQKBDODQMNR-KAMYIIQDSA-N 0 0 309.346 3.105 10 30 DGEERN C=CCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000304998714 657663867 /nfs/dbraw/zinc/66/38/67/657663867.db2.gz GOZCGYYZHQOMTI-MRXNPFEDSA-N 0 0 316.426 3.179 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1ccc([C@H]2CCOC2)cc1 ZINC000191118945 657791129 /nfs/dbraw/zinc/79/11/29/657791129.db2.gz JFSYIPLHTZGLGA-MAUKXSAKSA-N 0 0 304.386 3.325 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cccc3c1OCO3)C2=O ZINC000098125451 657912394 /nfs/dbraw/zinc/91/23/94/657912394.db2.gz AGJNXMYFQFMWKF-XYOKQWHBSA-N 0 0 310.305 3.083 10 30 DGEERN C[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCCO1 ZINC000720591264 657947833 /nfs/dbraw/zinc/94/78/33/657947833.db2.gz DPKUMTJSPWMPHB-NOZJJQNGSA-N 0 0 323.190 3.074 10 30 DGEERN O=[N+]([O-])c1ccc(C=NNC(=S)Nc2ccc(F)cc2)cc1 ZINC000017328274 658605560 /nfs/dbraw/zinc/60/55/60/658605560.db2.gz XYFHOEBILQWSDD-UHFFFAOYSA-N 0 0 318.333 3.054 10 30 DGEERN C#CCC1(C(=O)Nc2cnc(Br)cn2)CCCCC1 ZINC000276475017 658606384 /nfs/dbraw/zinc/60/63/84/658606384.db2.gz RAJSAVPFJJWVCJ-UHFFFAOYSA-N 0 0 322.206 3.151 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000436081861 658790467 /nfs/dbraw/zinc/79/04/67/658790467.db2.gz QOWFDSLJESICKI-UHFFFAOYSA-N 0 0 306.369 3.095 10 30 DGEERN C=CCc1cc(C(=O)OCC[C@H](C)OC)cc(OC)c1OC ZINC000174819131 658841552 /nfs/dbraw/zinc/84/15/52/658841552.db2.gz IMILZRKBTONYQG-LBPRGKRZSA-N 0 0 308.374 3.014 10 30 DGEERN C#CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C1CCCC1 ZINC000163861752 658905042 /nfs/dbraw/zinc/90/50/42/658905042.db2.gz SZFKYXMSFRIBQE-KGLIPLIRSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)Cc1cccc(Br)c1)C1CCCC1 ZINC000164064800 658915256 /nfs/dbraw/zinc/91/52/56/658915256.db2.gz PMARHFKILFZIPO-UHFFFAOYSA-N 0 0 320.230 3.396 10 30 DGEERN O=C(/C=C/c1c(Cl)nc2sccn12)c1cc(O)ccc1O ZINC000156647613 658931949 /nfs/dbraw/zinc/93/19/49/658931949.db2.gz NSIUFXMMTDQHDN-DUXPYHPUSA-N 0 0 320.757 3.357 10 30 DGEERN N#Cc1ccc(OCCCOc2ccccc2-c2nc[nH]n2)cc1 ZINC000165358377 658981281 /nfs/dbraw/zinc/98/12/81/658981281.db2.gz AOPZKSHLKDPBKJ-UHFFFAOYSA-N 0 0 320.352 3.191 10 30 DGEERN C#CCOCCC(=O)O[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000166886077 659061417 /nfs/dbraw/zinc/06/14/17/659061417.db2.gz APUCGPFQXOEWFR-STQMWFEESA-N 0 0 317.410 3.371 10 30 DGEERN CCOc1ccc(CNC(=O)/C=C/c2ccccc2C#N)cc1F ZINC000171666937 659293505 /nfs/dbraw/zinc/29/35/05/659293505.db2.gz FSOPNPLEKICHKH-CSKARUKUSA-N 0 0 324.355 3.426 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ncc(Cl)n1C ZINC000171770265 659297278 /nfs/dbraw/zinc/29/72/78/659297278.db2.gz RWQKFOHXJMBCQR-UHFFFAOYSA-N 0 0 307.737 3.289 10 30 DGEERN C#CCCCOC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076871260 659339051 /nfs/dbraw/zinc/33/90/51/659339051.db2.gz OUJLXNWSPLOUDG-UONOGXRCSA-N 0 0 309.406 3.027 10 30 DGEERN C#CCCCOC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076871263 659339324 /nfs/dbraw/zinc/33/93/24/659339324.db2.gz OUJLXNWSPLOUDG-KGLIPLIRSA-N 0 0 309.406 3.027 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000173524903 659391264 /nfs/dbraw/zinc/39/12/64/659391264.db2.gz PTZPFIFJPWMHRG-UHFFFAOYSA-N 0 0 314.297 3.082 10 30 DGEERN C#CCCCNC(=O)N[C@@H](C)c1ccccc1Br ZINC000174117607 659413321 /nfs/dbraw/zinc/41/33/21/659413321.db2.gz LZWMJQIRVRIMAL-NSHDSACASA-N 0 0 309.207 3.223 10 30 DGEERN C#CC[C@H](OC(=O)c1cnc(CCC)s1)c1ccccn1 ZINC000174181690 659417437 /nfs/dbraw/zinc/41/74/37/659417437.db2.gz JRKGNZPGCKYKRY-ZDUSSCGKSA-N 0 0 300.383 3.412 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(OCC)cc1)C1CC1 ZINC000175335481 659918988 /nfs/dbraw/zinc/91/89/88/659918988.db2.gz JBBYXCGDDGLLLH-GOSISDBHSA-N 0 0 314.381 3.393 10 30 DGEERN CO[C@@H](C(=O)OC[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000175373427 659919896 /nfs/dbraw/zinc/91/98/96/659919896.db2.gz DSCYMSBHAQSSPC-FUHWJXTLSA-N 0 0 309.365 3.300 10 30 DGEERN CC(C)(C#N)COC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000180160278 659953396 /nfs/dbraw/zinc/95/33/96/659953396.db2.gz HLVMRORXAWQJFN-UHFFFAOYSA-N 0 0 301.264 3.177 10 30 DGEERN C#CC[C@H](OC(=O)c1coc(Br)c1)c1ccccn1 ZINC000068594548 659958790 /nfs/dbraw/zinc/95/87/90/659958790.db2.gz VXFGSHVGCNLYTQ-LBPRGKRZSA-N 0 0 320.142 3.359 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc(F)c1F ZINC000068680363 659962410 /nfs/dbraw/zinc/96/24/10/659962410.db2.gz ISPPIAKKFDVDLT-JTQLQIEISA-N 0 0 303.264 3.209 10 30 DGEERN C=C[C@H](CC)OC(=O)c1cn(C)nc1-c1ccccc1OC ZINC000181216910 659987252 /nfs/dbraw/zinc/98/72/52/659987252.db2.gz CHNLCFBLMPWTGW-GFCCVEGCSA-N 0 0 300.358 3.217 10 30 DGEERN C=C[C@@H](CC)OC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000181246906 659989420 /nfs/dbraw/zinc/98/94/20/659989420.db2.gz QGOJXWFIAWIOSJ-AWEZNQCLSA-N 0 0 307.415 3.175 10 30 DGEERN CCCCCNC(=O)[C@H](C#N)C(=O)CCCc1ccc(C)cc1 ZINC000069912416 660028399 /nfs/dbraw/zinc/02/83/99/660028399.db2.gz KGFYTFMDSOROSP-QGZVFWFLSA-N 0 0 314.429 3.333 10 30 DGEERN N#Cc1ccc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182519159 660060578 /nfs/dbraw/zinc/06/05/78/660060578.db2.gz XZKZNBJYLXPFDP-UHFFFAOYSA-N 0 0 302.333 3.470 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1F ZINC000182548279 660061314 /nfs/dbraw/zinc/06/13/14/660061314.db2.gz ZMBTUGIVLQQIDQ-LBPRGKRZSA-N 0 0 313.332 3.167 10 30 DGEERN N#CC1(c2ccc(C(=O)OCc3cn4ccccc4n3)cc2)CC1 ZINC000183156606 660103037 /nfs/dbraw/zinc/10/30/37/660103037.db2.gz PLFKBOOQNZWAOZ-UHFFFAOYSA-N 0 0 317.348 3.246 10 30 DGEERN COCCCOc1cccc(C(=O)OCC2(C#N)CCCC2)c1 ZINC000183852827 660143379 /nfs/dbraw/zinc/14/33/79/660143379.db2.gz OVZSQJLQZQQXEP-UHFFFAOYSA-N 0 0 317.385 3.343 10 30 DGEERN CCc1c(C(=O)OCC2(C#N)CCCC2)cnn1CC(C)C ZINC000183893415 660146004 /nfs/dbraw/zinc/14/60/04/660146004.db2.gz AHHBGRDZOMMIDN-UHFFFAOYSA-N 0 0 303.406 3.342 10 30 DGEERN CC#CCCCCOC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000183939512 660148569 /nfs/dbraw/zinc/14/85/69/660148569.db2.gz VXLWGZLIHZOMCE-GOSISDBHSA-N 0 0 315.413 3.299 10 30 DGEERN N#CC1(COC(=O)c2ccc(-c3ccccc3)[nH]2)CCOCC1 ZINC000183958664 660149950 /nfs/dbraw/zinc/14/99/50/660149950.db2.gz HOYUNCZDMZKTOR-UHFFFAOYSA-N 0 0 310.353 3.159 10 30 DGEERN COc1cccc([C@@H](C)CC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183961640 660150214 /nfs/dbraw/zinc/15/02/14/660150214.db2.gz SNQCWCXBQNHCHU-AWEZNQCLSA-N 0 0 317.385 3.052 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H](CC)c2nccs2)cc1 ZINC000156948999 661865600 /nfs/dbraw/zinc/86/56/00/661865600.db2.gz FKUGCNFHBNXAKF-AWEZNQCLSA-N 0 0 300.383 3.036 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCCC(F)(F)F ZINC000157344312 661867051 /nfs/dbraw/zinc/86/70/51/661867051.db2.gz VZJXEOGUNYNJGM-JTQLQIEISA-N 0 0 301.264 3.211 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000157710867 661868568 /nfs/dbraw/zinc/86/85/68/661868568.db2.gz OJPQRXNOJXJPKR-UHNVWZDZSA-N 0 0 314.172 3.357 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OCC1(C)CCCC1 ZINC000158552754 661873968 /nfs/dbraw/zinc/87/39/68/661873968.db2.gz YMCBPZIGOIXPNE-UHFFFAOYSA-N 0 0 317.433 3.470 10 30 DGEERN C=CCC[C@H](OC(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 ZINC000159630329 661892039 /nfs/dbraw/zinc/89/20/39/661892039.db2.gz WFVREYIKSVYIFG-YPMHNXCESA-N 0 0 307.415 3.154 10 30 DGEERN C=C[C@H](C)OC(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000187568685 661899156 /nfs/dbraw/zinc/89/91/56/661899156.db2.gz NUONMUWJILPMRN-ZDUSSCGKSA-N 0 0 314.385 3.318 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000160040819 661899881 /nfs/dbraw/zinc/89/98/81/661899881.db2.gz AYTSSZYQQKGDMS-UHFFFAOYSA-N 0 0 320.348 3.213 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000187885309 661906939 /nfs/dbraw/zinc/90/69/39/661906939.db2.gz LLPSBBQXVZDTOC-AWEZNQCLSA-N 0 0 303.358 3.491 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCCCOc1cccc(C#N)c1 ZINC000187894080 661907011 /nfs/dbraw/zinc/90/70/11/661907011.db2.gz PWNUWKWVLUQRBE-OAHLLOKOSA-N 0 0 300.358 3.343 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1ccc(C(=O)OC(C)C)cc1 ZINC000188197425 661920565 /nfs/dbraw/zinc/92/05/65/661920565.db2.gz MQJZTVCNHTWJDK-SFHVURJKSA-N 0 0 320.385 3.386 10 30 DGEERN C=CCOc1ccc(C(=O)OCCC(C)(C)OC)cc1OC ZINC000189130242 661964920 /nfs/dbraw/zinc/96/49/20/661964920.db2.gz IVOLMHVZQFAZMC-UHFFFAOYSA-N 0 0 308.374 3.232 10 30 DGEERN N#C[C@H](C(=O)NCc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000076826180 662001316 /nfs/dbraw/zinc/00/13/16/662001316.db2.gz JKPQXJRCIPFKGJ-SQNIBIBYSA-N 0 0 324.424 3.228 10 30 DGEERN C#C[C@@H](OC(=O)c1ccc(OC)cc1OCC1CC1)C1CC1 ZINC000190830782 662046242 /nfs/dbraw/zinc/04/62/42/662046242.db2.gz GIWISRSJQRXSME-MRXNPFEDSA-N 0 0 300.354 3.053 10 30 DGEERN CO[C@H]1CCC[C@H](OC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000077922902 662046312 /nfs/dbraw/zinc/04/63/12/662046312.db2.gz TVPMSNCDVBTEOH-HOTGVXAUSA-N 0 0 319.426 3.292 10 30 DGEERN CO[C@@H]1CCC[C@@H](OC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000077922905 662046466 /nfs/dbraw/zinc/04/64/66/662046466.db2.gz TVPMSNCDVBTEOH-HZPDHXFCSA-N 0 0 319.426 3.292 10 30 DGEERN CO[C@H]1CCC[C@@H](OC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000077922907 662046609 /nfs/dbraw/zinc/04/66/09/662046609.db2.gz TVPMSNCDVBTEOH-JKSUJKDBSA-N 0 0 319.426 3.292 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000191098754 662053743 /nfs/dbraw/zinc/05/37/43/662053743.db2.gz OMGLXGASKDSFPP-INIZCTEOSA-N 0 0 307.346 3.289 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(N(C)C)cc1F ZINC000191090988 662053781 /nfs/dbraw/zinc/05/37/81/662053781.db2.gz BBPZMDGUDBYQIX-KRWDZBQOSA-N 0 0 309.381 3.277 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cnc(C)nc1C(C)C ZINC000191114877 662054597 /nfs/dbraw/zinc/05/45/97/662054597.db2.gz KOTKQIPZRHSXQO-QGZVFWFLSA-N 0 0 306.406 3.294 10 30 DGEERN C=CCC1(C(=O)O[C@@H]2C[C@@H](OCC)C23CCOCC3)CCC1 ZINC000192299496 662094687 /nfs/dbraw/zinc/09/46/87/662094687.db2.gz VWERPEOGRQIJBW-HUUCEWRRSA-N 0 0 308.418 3.250 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079205178 662103663 /nfs/dbraw/zinc/10/36/63/662103663.db2.gz HTOHLJPGVXLNCB-ABAIWWIYSA-N 0 0 319.382 3.421 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000079209010 662103882 /nfs/dbraw/zinc/10/38/82/662103882.db2.gz JGJNKFSCOQPJCZ-QZTJIDSGSA-N 0 0 314.381 3.203 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)C1CC1 ZINC000079209153 662103898 /nfs/dbraw/zinc/10/38/98/662103898.db2.gz NNJCLYFKLCCQMZ-SJCJKPOMSA-N 0 0 302.345 3.380 10 30 DGEERN N#C[C@@H](COC(=O)CSc1ccncc1)Cc1ccccc1 ZINC000079220757 662104651 /nfs/dbraw/zinc/10/46/51/662104651.db2.gz QZGNZNXQDKJYIA-HNNXBMFYSA-N 0 0 312.394 3.099 10 30 DGEERN Cn1nccc1C(=O)/C=C/c1cccc(OCC(F)(F)F)c1 ZINC000193058415 662121901 /nfs/dbraw/zinc/12/19/01/662121901.db2.gz IYHACDJMTWTGBQ-AATRIKPKSA-N 0 0 310.275 3.257 10 30 DGEERN COc1c(C)cc(CN(C)C(=O)C#Cc2ccccc2)cc1C ZINC000080613481 662147904 /nfs/dbraw/zinc/14/79/04/662147904.db2.gz IGQVWGOPSMDRET-UHFFFAOYSA-N 0 0 307.393 3.322 10 30 DGEERN O=C1c2ccc(O)cc2O/C1=C/c1c(Cl)nc2sccn12 ZINC000193791724 662149341 /nfs/dbraw/zinc/14/93/41/662149341.db2.gz XLQWASPMPHXIMZ-IZZDOVSWSA-N 0 0 318.741 3.371 10 30 DGEERN C[C@@H](CNc1cc(C#N)c2ccccc2n1)CC1(C)OCCO1 ZINC000080694247 662151361 /nfs/dbraw/zinc/15/13/61/662151361.db2.gz ZFVXYTJZIOSOHW-CYBMUJFWSA-N 0 0 311.385 3.308 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCOC[C@@H]2C)c1 ZINC000194284667 662162636 /nfs/dbraw/zinc/16/26/36/662162636.db2.gz SZSNWMPVWMJBKP-KXBFYZLASA-N 0 0 323.392 3.467 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000081323818 662164873 /nfs/dbraw/zinc/16/48/73/662164873.db2.gz RSJHGQLCQUSNKB-AWEZNQCLSA-N 0 0 323.348 3.496 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1cccnc1=S ZINC000194528264 662167588 /nfs/dbraw/zinc/16/75/88/662167588.db2.gz ZEPDWOLTOWUTEI-UHFFFAOYSA-N 0 0 316.386 3.166 10 30 DGEERN C=CCN(Cc1ncc(Cl)n1C)Cc1cccc([N+](=O)[O-])c1 ZINC000194532022 662167592 /nfs/dbraw/zinc/16/75/92/662167592.db2.gz CXASDGOCXZRTGH-UHFFFAOYSA-N 0 0 320.780 3.170 10 30 DGEERN C=C(Br)CNC(=O)Nc1nc(C(C)C)cs1 ZINC000195161913 662179333 /nfs/dbraw/zinc/17/93/33/662179333.db2.gz NUJARWQITAAZDV-UHFFFAOYSA-N 0 0 304.213 3.297 10 30 DGEERN CCO[C@H]1C[C@H](OC(=O)c2cc(C#N)cn2C)C12CCCCC2 ZINC000083770011 662196237 /nfs/dbraw/zinc/19/62/37/662196237.db2.gz IVBLXJFACRYJPT-HOTGVXAUSA-N 0 0 316.401 3.181 10 30 DGEERN O=S(=O)(OCC(F)(F)C(F)F)c1cccc2ccccc21 ZINC000083976602 662198389 /nfs/dbraw/zinc/19/83/89/662198389.db2.gz GQTHGLFQAWPZSM-UHFFFAOYSA-N 0 0 322.279 3.446 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000245401558 662232299 /nfs/dbraw/zinc/23/22/99/662232299.db2.gz DYWNZSBYLYVPJT-ZACQAIPSSA-N 0 0 313.397 3.189 10 30 DGEERN C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(C)(C)C#N ZINC000245561485 662236450 /nfs/dbraw/zinc/23/64/50/662236450.db2.gz VCKRCGZLAQCDII-UBHSHLNASA-N 0 0 315.369 3.043 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC000089311419 662241444 /nfs/dbraw/zinc/24/14/44/662241444.db2.gz AILVNVBLKYDBOB-AWEZNQCLSA-N 0 0 324.442 3.311 10 30 DGEERN N#C[C@@H](COC(=O)CCc1ccncc1)Cc1cccs1 ZINC000089300406 662241506 /nfs/dbraw/zinc/24/15/06/662241506.db2.gz XCIHBOPMJYGMNP-AWEZNQCLSA-N 0 0 300.383 3.001 10 30 DGEERN N#C[C@H](COC(=O)CCc1ccncc1)Cc1cccs1 ZINC000089300403 662241560 /nfs/dbraw/zinc/24/15/60/662241560.db2.gz XCIHBOPMJYGMNP-CQSZACIVSA-N 0 0 300.383 3.001 10 30 DGEERN C=CCC[C@H](C)OC(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000089319044 662241736 /nfs/dbraw/zinc/24/17/36/662241736.db2.gz IAGPCJOXKBWHNN-LBPRGKRZSA-N 0 0 308.374 3.153 10 30 DGEERN Cc1nn(C)c(C)c1CCC/N=C/c1cc(Cl)ccc1O ZINC000091515532 662305244 /nfs/dbraw/zinc/30/52/44/662305244.db2.gz MDVLNZNBQGUKOB-VCHYOVAHSA-N 0 0 305.809 3.448 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)O[C@@H](C#N)C2CC2)c1 ZINC000091697760 662313090 /nfs/dbraw/zinc/31/30/90/662313090.db2.gz CZMAIXYOPPLCHO-AWEZNQCLSA-N 0 0 301.342 3.101 10 30 DGEERN C[C@H](NC=C1C(=O)CC(C)(C)CC1=O)c1ccc(F)cc1F ZINC000121036888 685066507 /nfs/dbraw/zinc/06/65/07/685066507.db2.gz CIECMCXJJBZTKC-JTQLQIEISA-N 0 0 307.340 3.458 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cccc3c1OCCO3)C2=O ZINC000141647585 685079645 /nfs/dbraw/zinc/07/96/45/685079645.db2.gz KLNWHLJRCKQUBD-RAXLEYEMSA-N 0 0 324.332 3.125 10 30 DGEERN C=C(Br)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000161464960 685100874 /nfs/dbraw/zinc/10/08/74/685100874.db2.gz ULWOMLRUQNNBQZ-UHFFFAOYSA-N 0 0 308.135 3.464 10 30 DGEERN C=CCOc1ccc(CNc2cc(C(N)=O)ccc2F)cc1 ZINC000387253891 685182466 /nfs/dbraw/zinc/18/24/66/685182466.db2.gz DGRJAIGZCPCCIQ-UHFFFAOYSA-N 0 0 300.333 3.102 10 30 DGEERN C=C[C@H](C)OC(=O)c1csc(I)c1 ZINC000388775330 685190775 /nfs/dbraw/zinc/19/07/75/685190775.db2.gz HVBNEGRBRBWOPJ-LURJTMIESA-N 0 0 308.140 3.084 10 30 DGEERN C=C(C)COCCNC(=O)N(Cc1ccccc1F)C1CCC1 ZINC000151554548 1176489703 /nfs/dbraw/zinc/48/97/03/1176489703.db2.gz PCACZDWKRDGDMQ-UHFFFAOYSA-N 0 0 320.408 3.483 10 30 DGEERN COc1cccc(CC(=O)N[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000328764751 1176650495 /nfs/dbraw/zinc/65/04/95/1176650495.db2.gz OVRKGXCDMJFEDN-CQSZACIVSA-N 0 0 304.390 3.081 10 30 DGEERN CCCCCCCC(=O)NCc1nn(C)cc1Br ZINC000393656015 1176659029 /nfs/dbraw/zinc/65/90/29/1176659029.db2.gz HXHAPRHFHCCAPX-UHFFFAOYSA-N 0 0 316.243 3.159 10 30 DGEERN COc1cccc(CC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC000328787995 1176661698 /nfs/dbraw/zinc/66/16/98/1176661698.db2.gz XMXNXFBFCYCOCJ-SUMWQHHRSA-N 0 0 306.406 3.040 10 30 DGEERN C#C[C@H](CCC)NC(=O)c1cc(C)c(Br)s1 ZINC000233357564 1176819204 /nfs/dbraw/zinc/81/92/04/1176819204.db2.gz VCKBTQFTDVBMJF-SECBINFHSA-N 0 0 300.221 3.351 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000511963605 1177029814 /nfs/dbraw/zinc/02/98/14/1177029814.db2.gz IBPHZAMZWKLULS-HNNXBMFYSA-N 0 0 306.381 3.345 10 30 DGEERN CC(=O)C1CCN(c2ccc(C#N)c(Br)c2)CC1 ZINC000228229545 1177060442 /nfs/dbraw/zinc/06/04/42/1177060442.db2.gz JNGXJXJMQOYJFY-UHFFFAOYSA-N 0 0 307.191 3.126 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H](CC(C)C)NC(C)=O ZINC000341244985 1177799021 /nfs/dbraw/zinc/79/90/21/1177799021.db2.gz YTTZTHXWXAFFFO-QGZVFWFLSA-N 0 0 308.466 3.132 10 30 DGEERN C[C@@H](NC(=O)c1cccc(C#CCO)c1)c1ccc(Cl)s1 ZINC000049148463 1194513365 /nfs/dbraw/zinc/51/33/65/1194513365.db2.gz MJNCQKVDAVIJSG-LLVKDONJSA-N 0 0 319.813 3.236 10 30 DGEERN C[C@H](Cc1ccsc1)N(C)CC(=O)Nc1sccc1C#N ZINC000081598991 1197237770 /nfs/dbraw/zinc/23/77/70/1197237770.db2.gz LMKDXFOIPITGCV-LLVKDONJSA-N 0 0 319.455 3.183 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000364464776 1197698854 /nfs/dbraw/zinc/69/88/54/1197698854.db2.gz YXPYTIFMYAFQCH-IRXDYDNUSA-N 0 0 324.428 3.261 10 30 DGEERN N#Cc1cccc2c1CN(c1ncc(Br)cc1F)C2 ZINC000405120782 1199594083 /nfs/dbraw/zinc/59/40/83/1199594083.db2.gz KCFJCCSMYSRSHF-UHFFFAOYSA-N 0 0 318.149 3.375 10 30 DGEERN COc1ccc([N+](=O)[O-])c(Oc2nc(Cl)c(C#N)s2)c1 ZINC000312502097 1199752891 /nfs/dbraw/zinc/75/28/91/1199752891.db2.gz HAUBMSGRFIEILA-UHFFFAOYSA-N 0 0 311.706 3.377 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1cccc(F)c1C#N ZINC000314898291 1199796555 /nfs/dbraw/zinc/79/65/55/1199796555.db2.gz CWIWDCOIGFXXTN-UHFFFAOYSA-N 0 0 310.394 3.112 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000120406022 1200145369 /nfs/dbraw/zinc/14/53/69/1200145369.db2.gz TXSVQBHCOXVMNP-AWEZNQCLSA-N 0 0 308.426 3.463 10 30 DGEERN COC(=O)[C@H](C)CSc1cc(Br)ccc1C#N ZINC000123973541 1200306032 /nfs/dbraw/zinc/30/60/32/1200306032.db2.gz QQBBMVQDDNAQQR-MRVPVSSYSA-N 0 0 314.204 3.222 10 30 DGEERN C=CCOc1ccc(CNCc2ncccc2F)cc1OC ZINC000126308377 1200516408 /nfs/dbraw/zinc/51/64/08/1200516408.db2.gz VTJNDIGFIUTXQN-UHFFFAOYSA-N 0 0 302.349 3.084 10 30 DGEERN C=CCOc1cccc(CNc2ccc3oc(=O)n(C)c3c2)c1 ZINC000128658329 1200797812 /nfs/dbraw/zinc/79/78/12/1200797812.db2.gz DGQXAYKVBHNPGK-UHFFFAOYSA-N 0 0 310.353 3.308 10 30 DGEERN C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@H](C)O1 ZINC000231843120 1202600257 /nfs/dbraw/zinc/60/02/57/1202600257.db2.gz FPHXKCTYDIHGJQ-DTORHVGOSA-N 0 0 313.170 3.073 10 30 DGEERN C[C@H](Cn1cccn1)Nc1ccc(C#N)c(Br)c1F ZINC000231844722 1202600297 /nfs/dbraw/zinc/60/02/97/1202600297.db2.gz YHZQNWLOWVLCHN-SECBINFHSA-N 0 0 323.169 3.157 10 30 DGEERN CC1(C)CN(c2ccc(C#N)c(Br)c2F)CCO1 ZINC000231844281 1202600306 /nfs/dbraw/zinc/60/03/06/1202600306.db2.gz DNKFFHYTHJJNRN-UHFFFAOYSA-N 0 0 313.170 3.075 10 30 DGEERN CCn1cc(Nc2ccc(C#N)c(Br)c2F)cn1 ZINC000231844173 1202600326 /nfs/dbraw/zinc/60/03/26/1202600326.db2.gz QOBDKSYXLVARMH-UHFFFAOYSA-N 0 0 309.142 3.420 10 30 DGEERN CC(C)C[C@@H](CO)Nc1ccc(C#N)c(Br)c1F ZINC000231863760 1202600433 /nfs/dbraw/zinc/60/04/33/1202600433.db2.gz XXACJOMLMMMYNH-JTQLQIEISA-N 0 0 315.186 3.279 10 30 DGEERN CCCCCCCCNS(=O)(=O)c1ccc(Cl)nc1 ZINC000160904509 1202651669 /nfs/dbraw/zinc/65/16/69/1202651669.db2.gz CVQMHAJDQCNFIS-UHFFFAOYSA-N 0 0 304.843 3.374 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(O)cc1F ZINC000162745340 1203486888 /nfs/dbraw/zinc/48/68/88/1203486888.db2.gz ZRTZVYNZUPLSJR-UHFFFAOYSA-N 0 0 310.328 3.231 10 30 DGEERN C[C@@H](Cc1ccsc1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176441451 1203931194 /nfs/dbraw/zinc/93/11/94/1203931194.db2.gz GPDWPRZLJMJHTR-ZDUSSCGKSA-N 0 0 313.426 3.121 10 30 DGEERN COc1ccc(/C(C)=C/C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000176932874 1203943808 /nfs/dbraw/zinc/94/38/08/1203943808.db2.gz BVDMYCOMGKYGAZ-UKTHLTGXSA-N 0 0 324.355 3.426 10 30 DGEERN N#C[C@H]1CC[C@@H](OC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000179900020 1204324035 /nfs/dbraw/zinc/32/40/35/1204324035.db2.gz WVQCQTBNIBHNMS-XHDPSFHLSA-N 0 0 315.760 3.375 10 30 DGEERN N#C[C@H]1CC[C@H](OC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000179900036 1204324555 /nfs/dbraw/zinc/32/45/55/1204324555.db2.gz WVQCQTBNIBHNMS-NHYWBVRUSA-N 0 0 315.760 3.375 10 30 DGEERN C#C[C@H](NC(=O)c1cc(C)c(Br)s1)C(C)C ZINC000300740870 1204345910 /nfs/dbraw/zinc/34/59/10/1204345910.db2.gz AVTIJRLEJZCSCB-VIFPVBQESA-N 0 0 300.221 3.207 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)/C=C\c1cncc(O)c1 ZINC000588410258 1082169287 /nfs/dbraw/zinc/16/92/87/1082169287.db2.gz LZWHJGPCDGDTRF-HJWRWDBZSA-N 0 0 300.402 3.395 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(O)c(OC)c1 ZINC000588410326 1082169920 /nfs/dbraw/zinc/16/99/20/1082169920.db2.gz CUEXEEYJFJFPRY-UTCJRWHESA-N 0 0 300.310 3.011 10 30 DGEERN COc1cc(Br)ccc1/C=C\C(=O)c1cnn(C)c1 ZINC000588419246 1082208415 /nfs/dbraw/zinc/20/84/15/1082208415.db2.gz LESWHLWMPGMMMI-XQRVVYSFSA-N 0 0 321.174 3.087 10 30 DGEERN CC(C)(O)[C@H]1CCCN1c1cc(Br)ccc1C#N ZINC000707414648 1082261956 /nfs/dbraw/zinc/26/19/56/1082261956.db2.gz QBSFDVNSAZJURX-CYBMUJFWSA-N 0 0 309.207 3.060 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000588456852 1082334944 /nfs/dbraw/zinc/33/49/44/1082334944.db2.gz QMQFXEVTDDGHHE-LJTDUEICSA-N 0 0 302.337 3.156 10 30 DGEERN COc1ccc(OC)c(C=NOCc2ccc(C)nc2C)c1 ZINC000588510134 1082516738 /nfs/dbraw/zinc/51/67/38/1082516738.db2.gz SINFLRWPTHPARY-UHFFFAOYSA-N 0 0 300.358 3.266 10 30 DGEERN Cc1nc(CON=CC(=O)Nc2ccccc2)nc2ccccc12 ZINC000588600070 1082838755 /nfs/dbraw/zinc/83/87/55/1082838755.db2.gz NUVPXHVPKFTNCB-UHFFFAOYSA-N 0 0 320.352 3.079 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000176469328 1087837559 /nfs/dbraw/zinc/83/75/59/1087837559.db2.gz AMZJZZABSLLGQQ-GFCCVEGCSA-N 0 0 314.410 3.417 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@H](C)c2cccs2)c1 ZINC000176600408 1088156506 /nfs/dbraw/zinc/15/65/06/1088156506.db2.gz BNLVIEABRXHAAG-CYBMUJFWSA-N 0 0 300.379 3.455 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@@H]1CC2CCC1CC2 ZINC000400098098 1093868999 /nfs/dbraw/zinc/86/89/99/1093868999.db2.gz FFNZOALLUHBTCP-XIVSLSHWSA-N 0 0 320.234 3.376 10 30 DGEERN COc1cncc(CNc2ccc(C#N)c(Br)c2)c1 ZINC000700100154 1108794589 /nfs/dbraw/zinc/79/45/89/1108794589.db2.gz NEKKRMKSJXBFMW-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000278266251 214056359 /nfs/dbraw/zinc/05/63/59/214056359.db2.gz OMPXNKDVIMZLOF-INIZCTEOSA-N 0 0 303.402 3.167 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F ZINC000278322415 214088771 /nfs/dbraw/zinc/08/87/71/214088771.db2.gz IUZBYIWZJRDEHF-HNNXBMFYSA-N 0 0 323.314 3.078 10 30 DGEERN CCn1c(SCc2ccc(OC)c(C#N)c2)nnc1C1CC1 ZINC000162221956 197553347 /nfs/dbraw/zinc/55/33/47/197553347.db2.gz YIDSAVUGBIEBBW-UHFFFAOYSA-N 0 0 314.414 3.348 10 30 DGEERN N#Cc1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000302738689 230828120 /nfs/dbraw/zinc/82/81/20/230828120.db2.gz QGTGFGNPEKAMLE-UHFFFAOYSA-N 0 0 320.648 3.215 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000278563694 214241236 /nfs/dbraw/zinc/24/12/36/214241236.db2.gz PYVIIKREXPSVPW-IAGOWNOFSA-N 0 0 303.377 3.298 10 30 DGEERN N#C[C@H]1CCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891790 432003077 /nfs/dbraw/zinc/00/30/77/432003077.db2.gz DVGDMGZYMWPMHL-TZMCWYRMSA-N 0 0 306.793 3.283 10 30 DGEERN CCn1ncc(/C=C\C(=O)c2cc3ccccc3oc2=O)c1C ZINC000096854199 185389791 /nfs/dbraw/zinc/38/97/91/185389791.db2.gz RVFIEFTYIHYUDO-HJWRWDBZSA-N 0 0 308.337 3.214 10 30 DGEERN CCc1c(C(=O)Nc2cc(C#N)ccn2)cnn1C(CC)CC ZINC000435993909 529489773 /nfs/dbraw/zinc/48/97/73/529489773.db2.gz NFECVTVXCYISCA-UHFFFAOYSA-N 0 0 311.389 3.326 10 30 DGEERN C=CCN(Cc1noc(C2CC2)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287200 432004878 /nfs/dbraw/zinc/00/48/78/432004878.db2.gz MSQMKDDNASTZPD-UHFFFAOYSA-N 0 0 314.345 3.043 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1 ZINC000063320282 432005176 /nfs/dbraw/zinc/00/51/76/432005176.db2.gz UDMFTTXELNLXTA-UHFFFAOYSA-N 0 0 312.329 3.210 10 30 DGEERN N#Cc1cccc(N2CCc3nc(-c4cccnc4)oc3C2)c1 ZINC000064526537 432008523 /nfs/dbraw/zinc/00/85/23/432008523.db2.gz SADJXANIQJKGDH-UHFFFAOYSA-N 0 0 302.337 3.171 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182792317 529983817 /nfs/dbraw/zinc/98/38/17/529983817.db2.gz ISDKEYZQFURAAX-UHFFFAOYSA-N 0 0 315.376 3.386 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2sccc2C#N)cc1OC ZINC000052030195 190681112 /nfs/dbraw/zinc/68/11/12/190681112.db2.gz AFAXWEOVSCSREQ-JTQLQIEISA-N 0 0 316.382 3.128 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2sccc2C#N)cc1F ZINC000052029203 190681283 /nfs/dbraw/zinc/68/12/83/190681283.db2.gz ABLSWEXGNNSAIA-VIFPVBQESA-N 0 0 304.346 3.258 10 30 DGEERN COC(=O)CCOC(F)(F)C(F)(F)C(F)(F)C(C)(F)F ZINC000103543261 432011842 /nfs/dbraw/zinc/01/18/42/432011842.db2.gz HBGPRFCWQQZVDL-UHFFFAOYSA-N 0 0 318.160 3.085 10 30 DGEERN C[C@H](NS(=O)(=O)CCCCC#N)c1cccc(Cl)c1 ZINC000104107155 432014535 /nfs/dbraw/zinc/01/45/35/432014535.db2.gz XIRCBJMCUUNMKO-NSHDSACASA-N 0 0 300.811 3.014 10 30 DGEERN CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](C)c1cccnc1 ZINC000115228384 185668270 /nfs/dbraw/zinc/66/82/70/185668270.db2.gz UOLORNDPNNVEMY-HUUCEWRRSA-N 0 0 323.396 3.330 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000279708964 215078864 /nfs/dbraw/zinc/07/88/64/215078864.db2.gz KHZYRHPZZIQZIM-ZBFHGGJFSA-N 0 0 305.418 3.022 10 30 DGEERN C=CCCCN(C)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000080388594 192154092 /nfs/dbraw/zinc/15/40/92/192154092.db2.gz GIIQYCPJDXLZAZ-UHFFFAOYSA-N 0 0 323.462 3.095 10 30 DGEERN N#Cc1nc(N2CCC[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000302754958 186741154 /nfs/dbraw/zinc/74/11/54/186741154.db2.gz WKKFJZNYEGAELS-GFCCVEGCSA-N 0 0 300.343 3.264 10 30 DGEERN CCc1ncc2c(n1)CN(c1cc(C#N)nc3ccccc31)CC2 ZINC000301409988 186730730 /nfs/dbraw/zinc/73/07/30/186730730.db2.gz XJROMLWGYZMXCW-UHFFFAOYSA-N 0 0 315.380 3.022 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1O ZINC000067138971 432027154 /nfs/dbraw/zinc/02/71/54/432027154.db2.gz ROPZNHPAPYISAC-JTQLQIEISA-N 0 0 316.744 3.323 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000277229201 213381249 /nfs/dbraw/zinc/38/12/49/213381249.db2.gz MRJSQQUBZOCIAW-ZDUSSCGKSA-N 0 0 313.319 3.302 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000172348077 198083696 /nfs/dbraw/zinc/08/36/96/198083696.db2.gz HHZLEELMCSVXNI-ZDUSSCGKSA-N 0 0 306.406 3.372 10 30 DGEERN C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC(C)(C#N)CC1 ZINC000494795003 295849984 /nfs/dbraw/zinc/84/99/84/295849984.db2.gz NHJKHYRWHCFZAE-NSHDSACASA-N 0 0 305.344 3.443 10 30 DGEERN C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccnc1 ZINC000173867886 198262304 /nfs/dbraw/zinc/26/23/04/198262304.db2.gz VWURYUJVTKCFSN-CQSZACIVSA-N 0 0 305.381 3.248 10 30 DGEERN COc1cc(F)c([C@H](C)NCc2ccc(C#N)o2)cc1OC ZINC000174394872 198329557 /nfs/dbraw/zinc/32/95/57/198329557.db2.gz USTLRWCMQJJMCB-JTQLQIEISA-N 0 0 304.321 3.158 10 30 DGEERN CC(C)c1nnc2n1C[C@H](Nc1c(Cl)cccc1C#N)CC2 ZINC000174713733 198374537 /nfs/dbraw/zinc/37/45/37/198374537.db2.gz UARUKUVQIGPODT-GFCCVEGCSA-N 0 0 315.808 3.353 10 30 DGEERN CSc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 ZINC000003359774 181011200 /nfs/dbraw/zinc/01/12/00/181011200.db2.gz PTLYSBHKCPLMNC-WOJGMQOQSA-N 0 0 309.394 3.309 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176690255 198612202 /nfs/dbraw/zinc/61/22/02/198612202.db2.gz QFMYLGMGWVQAPA-OAHLLOKOSA-N 0 0 303.362 3.430 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000163763083 432042225 /nfs/dbraw/zinc/04/22/25/432042225.db2.gz XMKFUQRHZDTPIW-UHFFFAOYSA-N 0 0 316.279 3.023 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000004959102 181179763 /nfs/dbraw/zinc/17/97/63/181179763.db2.gz GSJGHHAYOLLAKX-UONOGXRCSA-N 0 0 306.365 3.303 10 30 DGEERN N#Cc1cc(C(=O)Nc2scnc2-c2ccccc2)ccn1 ZINC000193133343 283091542 /nfs/dbraw/zinc/09/15/42/283091542.db2.gz AMDBKBKAXXBZJE-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN N#Cc1cc(N2CCC[C@@]3(CC=CCC3)C2)cc(N)c1[N+](=O)[O-] ZINC000408106798 283103516 /nfs/dbraw/zinc/10/35/16/283103516.db2.gz ZNEVDPMQVFZKPC-KRWDZBQOSA-N 0 0 312.373 3.375 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000077592280 191740599 /nfs/dbraw/zinc/74/05/99/191740599.db2.gz XIVRECCQNFRLFI-ZDUSSCGKSA-N 0 0 306.410 3.252 10 30 DGEERN C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCOCC1 ZINC000179271724 432052645 /nfs/dbraw/zinc/05/26/45/432052645.db2.gz AISVIAZCHISKRS-AWEZNQCLSA-N 0 0 312.413 3.112 10 30 DGEERN CCOc1c(F)cccc1C(=O)NCc1cc(C#N)ccc1F ZINC000080794344 192192179 /nfs/dbraw/zinc/19/21/79/192192179.db2.gz UVXCMLZWAQLVMV-UHFFFAOYSA-N 0 0 316.307 3.165 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000179316449 432054274 /nfs/dbraw/zinc/05/42/74/432054274.db2.gz LXHZFICSKADWFB-UHFFFAOYSA-N 0 0 313.788 3.012 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)c2cccc3ncccc32)c1 ZINC000080788607 192191037 /nfs/dbraw/zinc/19/10/37/192191037.db2.gz XSHWELUILNORRV-UHFFFAOYSA-N 0 0 305.312 3.176 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(OC(C)C)n1 ZINC000165657996 432056581 /nfs/dbraw/zinc/05/65/81/432056581.db2.gz ZOJZVUGVEVEKNG-UHFFFAOYSA-N 0 0 302.296 3.059 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000171731379 283179903 /nfs/dbraw/zinc/17/99/03/283179903.db2.gz PZDWZVXBWKADQJ-CQSZACIVSA-N 0 0 313.792 3.083 10 30 DGEERN N#Cc1cc(N2CCO[C@H](c3ccco3)C2)c2ccccc2n1 ZINC000133353911 432061178 /nfs/dbraw/zinc/06/11/78/432061178.db2.gz WXPXYKWPNHBUGH-SFHVURJKSA-N 0 0 305.337 3.277 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000276933988 213186174 /nfs/dbraw/zinc/18/61/74/213186174.db2.gz OTECSNOXTMSCGS-YJBOKZPZSA-N 0 0 303.402 3.052 10 30 DGEERN N#Cc1sc(N2CCC=C(Br)C2)nc1Cl ZINC000286609141 283259759 /nfs/dbraw/zinc/25/97/59/283259759.db2.gz YEBWDTJYBIBBDN-UHFFFAOYSA-N 0 0 304.600 3.157 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000178553357 198887086 /nfs/dbraw/zinc/88/70/86/198887086.db2.gz QHNCXMUEOSILRC-CYBMUJFWSA-N 0 0 322.364 3.129 10 30 DGEERN CC(C)c1ccc([C@@H](NC(=O)Cn2ccnc2C#N)C(C)C)cc1 ZINC000179878357 432072935 /nfs/dbraw/zinc/07/29/35/432072935.db2.gz UZDYEVLYQIKSDZ-IBGZPJMESA-N 0 0 324.428 3.392 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000179384027 199026800 /nfs/dbraw/zinc/02/68/00/199026800.db2.gz YXJWODGRKXOYAG-SNVBAGLBSA-N 0 0 320.336 3.185 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)s1 ZINC000180810336 199211769 /nfs/dbraw/zinc/21/17/69/199211769.db2.gz DEZSCQJOMKPBAI-ZBEGNZNMSA-N 0 0 320.364 3.206 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000180198489 432081094 /nfs/dbraw/zinc/08/10/94/432081094.db2.gz AXVCFHQNYVIJEI-MRXNPFEDSA-N 0 0 320.396 3.332 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000170827341 432083009 /nfs/dbraw/zinc/08/30/09/432083009.db2.gz LPVFEZBLEFPHQX-XJKSGUPXSA-N 0 0 313.401 3.031 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)CC1(O)CCCCCC1 ZINC000186953134 200038210 /nfs/dbraw/zinc/03/82/10/200038210.db2.gz WVTNFJBHKKAMLO-UHFFFAOYSA-N 0 0 300.402 3.024 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187181859 200073372 /nfs/dbraw/zinc/07/33/72/200073372.db2.gz ISQCHIAIKIFGSA-WBVHZDCISA-N 0 0 304.821 3.339 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000189911476 200468820 /nfs/dbraw/zinc/46/88/20/200468820.db2.gz SURYMSAHGLJZCV-CABCVRRESA-N 0 0 301.386 3.286 10 30 DGEERN CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000180598986 432091936 /nfs/dbraw/zinc/09/19/36/432091936.db2.gz PBQLBONXWANOJR-UHFFFAOYSA-N 0 0 317.392 3.338 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000435996455 238381834 /nfs/dbraw/zinc/38/18/34/238381834.db2.gz QSXUELFVFWNJCE-LPHOPBHVSA-N 0 0 303.365 3.186 10 30 DGEERN Cc1ccc(Br)cc1C(=O)Nc1cc(C#N)ccn1 ZINC000435997611 238382399 /nfs/dbraw/zinc/38/23/99/238382399.db2.gz CKLYMPRFCCMHJB-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(Cl)ccc2OC(F)F)c1 ZINC000435998931 238382540 /nfs/dbraw/zinc/38/25/40/238382540.db2.gz WPLHBYZLQJANIS-UHFFFAOYSA-N 0 0 323.686 3.460 10 30 DGEERN CCn1cc(C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cn1 ZINC000135020988 432094892 /nfs/dbraw/zinc/09/48/92/432094892.db2.gz FMGWRLJZYTWQOM-UHFFFAOYSA-N 0 0 324.428 3.163 10 30 DGEERN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C#N)ccn2)c1 ZINC000436010240 238383251 /nfs/dbraw/zinc/38/32/51/238383251.db2.gz GHEZXNDFWADACL-NSHDSACASA-N 0 0 315.760 3.321 10 30 DGEERN N#Cc1ccc2ncc(CN3CCCc4ccc(F)cc43)n2c1 ZINC000180682832 432094974 /nfs/dbraw/zinc/09/49/74/432094974.db2.gz DRYUYNNDCDMNGR-UHFFFAOYSA-N 0 0 306.344 3.298 10 30 DGEERN Cc1ccc(CSc2nnc(NN=Cc3ccco3)[nH]2)cc1 ZINC000006275223 181324823 /nfs/dbraw/zinc/32/48/23/181324823.db2.gz XDEPRPNASZABIK-CXUHLZMHSA-N 0 0 313.386 3.444 10 30 DGEERN Cc1ccc(C[C@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000193259541 201014012 /nfs/dbraw/zinc/01/40/12/201014012.db2.gz ZFIFYHBDUSRFBX-GOSISDBHSA-N 0 0 305.381 3.109 10 30 DGEERN Fc1ccc(CSc2nnc(NN=Cc3ccco3)[nH]2)cc1 ZINC000006334061 181331283 /nfs/dbraw/zinc/33/12/83/181331283.db2.gz PIEDFWGFSDEYLX-LZYBPNLTSA-N 0 0 317.349 3.275 10 30 DGEERN COc1ccc(/C=C/C(=O)c2nc3ccccc3[nH]2)cc1OC ZINC000006420355 181339895 /nfs/dbraw/zinc/33/98/95/181339895.db2.gz FVKNDGFGOUVRKQ-VQHVLOKHSA-N 0 0 308.337 3.476 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1COC(=O)C1 ZINC000189890382 432101502 /nfs/dbraw/zinc/10/15/02/432101502.db2.gz GPNJVAXWMVELLU-CYBMUJFWSA-N 0 0 301.386 3.430 10 30 DGEERN Cn1c2cc(NCc3cccc(C#N)c3F)ccc2ccc1=O ZINC000447407236 239634778 /nfs/dbraw/zinc/63/47/78/239634778.db2.gz HRCFQJOXOVCADD-UHFFFAOYSA-N 0 0 307.328 3.161 10 30 DGEERN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc(C#N)n2C)c1C ZINC000448800056 239890704 /nfs/dbraw/zinc/89/07/04/239890704.db2.gz PZUZNVMBJQNBAA-UHFFFAOYSA-N 0 0 320.396 3.233 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000275447800 212339928 /nfs/dbraw/zinc/33/99/28/212339928.db2.gz HZJBYUKXLUXVGU-CRAIPNDOSA-N 0 0 303.402 3.082 10 30 DGEERN CCO[C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101438 192988688 /nfs/dbraw/zinc/98/86/88/192988688.db2.gz ZYSQGMGONSEGPA-CQSZACIVSA-N 0 0 308.381 3.266 10 30 DGEERN Cc1nc(C#N)c(N=NCc2cccc(Br)c2)o1 ZINC000006861430 181398554 /nfs/dbraw/zinc/39/85/54/181398554.db2.gz BCCCUIOVFSOGGG-VIZOYTHASA-N 0 0 305.135 3.063 10 30 DGEERN C=CCC1(C(=O)Nc2cnn(-c3ncccn3)c2)CCCCC1 ZINC000449913353 240478097 /nfs/dbraw/zinc/47/80/97/240478097.db2.gz NAQFRPXLUIBNII-UHFFFAOYSA-N 0 0 311.389 3.127 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000189927592 432106209 /nfs/dbraw/zinc/10/62/09/432106209.db2.gz GADNLVSHBYCFLU-UHFFFAOYSA-N 0 0 320.437 3.231 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@](C)(F)C1 ZINC000451110593 241008559 /nfs/dbraw/zinc/00/85/59/241008559.db2.gz CIUDXNIIJAMIFD-WMLDXEAASA-N 0 0 324.465 3.475 10 30 DGEERN CC1CCC(C)(NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451151872 241023927 /nfs/dbraw/zinc/02/39/27/241023927.db2.gz WSPFUEQCVCAOIT-UHFFFAOYSA-N 0 0 324.421 3.086 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000451172457 241029713 /nfs/dbraw/zinc/02/97/13/241029713.db2.gz WPRDGURYDJGHFQ-HOTGVXAUSA-N 0 0 307.397 3.353 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000451518069 241153991 /nfs/dbraw/zinc/15/39/91/241153991.db2.gz PKHHJKXXWNBRKB-BJWYYQGGSA-N 0 0 319.408 3.448 10 30 DGEERN C=CCCCS(=O)(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000451652386 241199809 /nfs/dbraw/zinc/19/98/09/241199809.db2.gz YPSSJPFEZQKZQF-UHFFFAOYSA-N 0 0 317.813 3.133 10 30 DGEERN C=CCOc1ccc(C(=O)NCCCC2CCOCC2)cc1 ZINC000452210012 241353792 /nfs/dbraw/zinc/35/37/92/241353792.db2.gz SVLFNTTUFVQJPY-UHFFFAOYSA-N 0 0 303.402 3.188 10 30 DGEERN CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C#N)cn1C ZINC000080943090 283905883 /nfs/dbraw/zinc/90/58/83/283905883.db2.gz WJHOJUZYFHGBLY-UHFFFAOYSA-N 0 0 307.806 3.274 10 30 DGEERN C=C(C)Cn1c(N(C)CCC2CC2)nnc1[C@]1(C)CCCO1 ZINC000453470361 241797841 /nfs/dbraw/zinc/79/78/41/241797841.db2.gz PTNRVBNHIHVZDT-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCC1(CNC(=O)Nc2cncc(C(=O)OC)c2)CCCC1 ZINC000454975312 242078119 /nfs/dbraw/zinc/07/81/19/242078119.db2.gz DQUZWNYIGULHDI-UHFFFAOYSA-N 0 0 317.389 3.126 10 30 DGEERN C=C(C)CCNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000455318108 242166722 /nfs/dbraw/zinc/16/67/22/242166722.db2.gz YCNSAUDGPKFUQA-UHFFFAOYSA-N 0 0 306.381 3.345 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275261066 212232167 /nfs/dbraw/zinc/23/21/67/212232167.db2.gz OZEARKGAMDZGHG-LBPRGKRZSA-N 0 0 323.824 3.102 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC2(C1)CCOCC2 ZINC000455378794 242184742 /nfs/dbraw/zinc/18/47/42/242184742.db2.gz FZQRFPCXEWOYKM-UHFFFAOYSA-N 0 0 300.402 3.450 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000455384062 242186512 /nfs/dbraw/zinc/18/65/12/242186512.db2.gz NIPDIQMUEZXTQV-DOTOQJQBSA-N 0 0 302.418 3.478 10 30 DGEERN CCCCCNC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135338214 432113346 /nfs/dbraw/zinc/11/33/46/432113346.db2.gz UJUQAXSPTLFFNE-CYBMUJFWSA-N 0 0 320.458 3.495 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455640747 242256830 /nfs/dbraw/zinc/25/68/30/242256830.db2.gz QZVAQSNWNLAUDN-RKDXNWHRSA-N 0 0 307.341 3.400 10 30 DGEERN COc1ccc(CS[C@@H](C)C(=O)NC(C)(C)C)cc1C#N ZINC000135348415 432113700 /nfs/dbraw/zinc/11/37/00/432113700.db2.gz UEHPMFCSTWFPGF-NSHDSACASA-N 0 0 306.431 3.103 10 30 DGEERN CCN(CC)C(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135343011 432114461 /nfs/dbraw/zinc/11/44/61/432114461.db2.gz IFPHKGYLHBROMH-GFCCVEGCSA-N 0 0 306.431 3.057 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC000457047883 242630878 /nfs/dbraw/zinc/63/08/78/242630878.db2.gz PRXILSYFUZIONX-LJQANCHMSA-N 0 0 307.397 3.038 10 30 DGEERN Cc1nnc(CSCCOc2cccc(C#N)c2)n1C1CC1 ZINC000091617697 284002490 /nfs/dbraw/zinc/00/24/90/284002490.db2.gz LSNHRKYMMBSSNQ-UHFFFAOYSA-N 0 0 314.414 3.105 10 30 DGEERN C=CCC1(NC(=O)NCc2cccnc2N(C)C)CCCCC1 ZINC000457692103 242845605 /nfs/dbraw/zinc/84/56/05/242845605.db2.gz LKJCUXQUKNKMPB-UHFFFAOYSA-N 0 0 316.449 3.226 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000457728047 242855698 /nfs/dbraw/zinc/85/56/98/242855698.db2.gz HBZVMVOLTSLZTA-VHSXEESVSA-N 0 0 302.827 3.089 10 30 DGEERN C=CCOc1ccc(Br)cc1NC(=O)CSC ZINC000458036910 242944193 /nfs/dbraw/zinc/94/41/93/242944193.db2.gz NZCSQDXZPZWYQP-UHFFFAOYSA-N 0 0 316.220 3.315 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000458902969 243195539 /nfs/dbraw/zinc/19/55/39/243195539.db2.gz LQEKIBMTHBISGJ-INIZCTEOSA-N 0 0 324.371 3.186 10 30 DGEERN C=CC(C)(C)CNC(=O)N(CC)[C@@H](COC)Cc1ccccc1 ZINC000458985678 243218468 /nfs/dbraw/zinc/21/84/68/243218468.db2.gz IPBLQPDWDOOFLD-QGZVFWFLSA-N 0 0 318.461 3.488 10 30 DGEERN C[C@@H](CCCc1cccnc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000459215201 243287701 /nfs/dbraw/zinc/28/77/01/243287701.db2.gz OPFQDDQYTOWSLG-HNNXBMFYSA-N 0 0 314.433 3.128 10 30 DGEERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000112674554 284094141 /nfs/dbraw/zinc/09/41/41/284094141.db2.gz QDERFTOGZJZUOX-HZPDHXFCSA-N 0 0 306.431 3.051 10 30 DGEERN C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000563778101 335006114 /nfs/dbraw/zinc/00/61/14/335006114.db2.gz YKJSEZLVSJMHSW-ZDUSSCGKSA-N 0 0 300.427 3.368 10 30 DGEERN C=C1OC(=O)O[C@]1(C)c1ccc([C@]2(C)OC(=O)OC2=C)cc1 ZINC000257467320 203067890 /nfs/dbraw/zinc/06/78/90/203067890.db2.gz XAQNDERCTICFDO-IYBDPMFKSA-N 0 0 302.282 3.478 10 30 DGEERN C=CCCCNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000468368370 244037730 /nfs/dbraw/zinc/03/77/30/244037730.db2.gz UHBWQZSDHFANJN-NSHDSACASA-N 0 0 312.207 3.299 10 30 DGEERN C=CCCCNC(=O)CCOc1ccccc1Br ZINC000468403053 244038296 /nfs/dbraw/zinc/03/82/96/244038296.db2.gz URMRYDJQDOJDQG-UHFFFAOYSA-N 0 0 312.207 3.300 10 30 DGEERN CC(C)C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000469269684 244092206 /nfs/dbraw/zinc/09/22/06/244092206.db2.gz YYNXDCSELZAITN-ZDUSSCGKSA-N 0 0 324.421 3.144 10 30 DGEERN Cc1ccccc1OCCCNC(=O)c1ccc(C#N)cc1C ZINC000120911125 284181819 /nfs/dbraw/zinc/18/18/19/284181819.db2.gz BOGTUYCKCNNPRQ-UHFFFAOYSA-N 0 0 308.381 3.374 10 30 DGEERN COc1cnc(C2(C#N)CCC(=O)CC2)cc1OC1CCCC1 ZINC000095929963 193449129 /nfs/dbraw/zinc/44/91/29/193449129.db2.gz LKTCUKJSELPPRW-UHFFFAOYSA-N 0 0 314.385 3.316 10 30 DGEERN CC#CCCNC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000483429995 244860166 /nfs/dbraw/zinc/86/01/66/244860166.db2.gz IBXKGIDKXUDUKQ-KRWDZBQOSA-N 0 0 304.409 3.448 10 30 DGEERN C=CCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000487543972 245072210 /nfs/dbraw/zinc/07/22/10/245072210.db2.gz UWHQOQFYLDZVLF-UHFFFAOYSA-N 0 0 309.207 3.009 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@@H](C)COCC)c1ccc(F)c(F)c1 ZINC000488546914 245207446 /nfs/dbraw/zinc/20/74/46/245207446.db2.gz RFXDZATUQNTFDR-XHDPSFHLSA-N 0 0 312.360 3.306 10 30 DGEERN CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488723530 245223174 /nfs/dbraw/zinc/22/31/74/245223174.db2.gz ILAAQTPXANOGGP-BLLLJJGKSA-N 0 0 324.421 3.335 10 30 DGEERN Cc1cc(CN2CCO[C@@H](COc3ccccc3)C2)ccc1C#N ZINC000488988540 245259304 /nfs/dbraw/zinc/25/93/04/245259304.db2.gz YEYIEPMFNZCESI-HXUWFJFHSA-N 0 0 322.408 3.147 10 30 DGEERN Cc1cccc(O[C@H](C)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000125822764 284285326 /nfs/dbraw/zinc/28/53/26/284285326.db2.gz QLHYUSKAQLDWBH-OAHLLOKOSA-N 0 0 308.381 3.372 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000278171550 214002714 /nfs/dbraw/zinc/00/27/14/214002714.db2.gz BFPHUKUCZIHIFX-HZPDHXFCSA-N 0 0 311.385 3.007 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nc2cc(F)ccc2n1C ZINC000126357835 284301817 /nfs/dbraw/zinc/30/18/17/284301817.db2.gz YWEOEHMMSOXUFX-UHFFFAOYSA-N 0 0 308.316 3.145 10 30 DGEERN CCn1cc(C2CCN(c3ncc(C#N)cc3Cl)CC2)cn1 ZINC000171364621 432125946 /nfs/dbraw/zinc/12/59/46/432125946.db2.gz SIPVLUYDSQTPNY-UHFFFAOYSA-N 0 0 315.808 3.207 10 30 DGEERN CN(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C#N ZINC000015649968 182010344 /nfs/dbraw/zinc/01/03/44/182010344.db2.gz QAYQXDKFSQDETO-UHFFFAOYSA-N 0 0 314.772 3.249 10 30 DGEERN C[C@@H](O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000266438487 205346667 /nfs/dbraw/zinc/34/66/67/205346667.db2.gz VOKQSUYMIYTVTB-LLVKDONJSA-N 0 0 315.804 3.357 10 30 DGEERN CN1C(=O)/C(=C/c2ccco2)S/C1=N\c1cccc(O)c1 ZINC000016904591 182063933 /nfs/dbraw/zinc/06/39/33/182063933.db2.gz PDYCUTDPHDRELH-JWFVMAOISA-N 0 0 300.339 3.219 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000135096984 335019903 /nfs/dbraw/zinc/01/99/03/335019903.db2.gz MFSAYMJUBSLDFK-BBRMVZONSA-N 0 0 300.402 3.319 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000128813107 284387784 /nfs/dbraw/zinc/38/77/84/284387784.db2.gz VAEQSXDKUBXPSI-OAHLLOKOSA-N 0 0 318.298 3.462 10 30 DGEERN CCc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1C ZINC000190187402 432130427 /nfs/dbraw/zinc/13/04/27/432130427.db2.gz ISMKZDLJEHBFIY-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN COc1cc(F)c(NC(=O)c2ccc(C#N)cc2C)cc1F ZINC000129978535 284428407 /nfs/dbraw/zinc/42/84/07/284428407.db2.gz HHOVGFGHYRAJTI-UHFFFAOYSA-N 0 0 302.280 3.406 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCCc1csc(C)n1 ZINC000267394153 206034310 /nfs/dbraw/zinc/03/43/10/206034310.db2.gz VQGXZKHHEXAQPA-UHFFFAOYSA-N 0 0 306.353 3.351 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000494382228 246141017 /nfs/dbraw/zinc/14/10/17/246141017.db2.gz BXJDWYZTRIFXMX-KRWDZBQOSA-N 0 0 313.445 3.406 10 30 DGEERN Cc1sc(NC(=O)CN2CCS[C@H](C)[C@H]2C)c(C#N)c1C ZINC000246461716 432134999 /nfs/dbraw/zinc/13/49/99/432134999.db2.gz WABOUYWIPNISNY-ZYHUDNBSSA-N 0 0 323.487 3.001 10 30 DGEERN CC(C)(C)OC(=O)NC[C@H](C=O)Cc1ccc2ccccc2n1 ZINC000098095875 193785469 /nfs/dbraw/zinc/78/54/69/193785469.db2.gz WUZGIEYYHBMEFL-CYBMUJFWSA-N 0 0 314.385 3.117 10 30 DGEERN Cc1nc(N2CCOCC2)sc1C(=O)/C=C\c1cccs1 ZINC000033380872 182708353 /nfs/dbraw/zinc/70/83/53/182708353.db2.gz RRYIHNJBQLAGAP-PLNGDYQASA-N 0 0 320.439 3.246 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000274344076 211532809 /nfs/dbraw/zinc/53/28/09/211532809.db2.gz NGZGODDSLIOHEB-KBPBESRZSA-N 0 0 304.438 3.174 10 30 DGEERN CC#CCNC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000136031731 432144357 /nfs/dbraw/zinc/14/43/57/432144357.db2.gz AUIJAZQIJGZNQX-CYBMUJFWSA-N 0 0 305.447 3.179 10 30 DGEERN C=CCNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040598748 183108117 /nfs/dbraw/zinc/10/81/17/183108117.db2.gz YZBBGSRUHRAOMV-UHFFFAOYSA-N 0 0 305.725 3.380 10 30 DGEERN Cc1c(C(=O)N(C)C)oc2c1C(=NNc1ccccc1)CCC2 ZINC000040824178 183137591 /nfs/dbraw/zinc/13/75/91/183137591.db2.gz DABPSOPUEDMIRK-XSFVSMFZSA-N 0 0 311.385 3.442 10 30 DGEERN CCN(Cc1ccc(Cl)cc1Cl)C[C@H](C)/C(N)=N/O ZINC000042445136 183271205 /nfs/dbraw/zinc/27/12/05/183271205.db2.gz SXGUARBEZOQNKE-VIFPVBQESA-N 0 0 304.221 3.198 10 30 DGEERN CC(C)[C@H](O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000159562044 197361336 /nfs/dbraw/zinc/36/13/36/197361336.db2.gz YHGQQBLVTIWVPW-TZMCWYRMSA-N 0 0 306.431 3.426 10 30 DGEERN COc1cc(C(=O)NC2(C#N)CCCC2)ccc1OC(C)C ZINC000060852534 184156832 /nfs/dbraw/zinc/15/68/32/184156832.db2.gz STQSDNDCNPLWBG-UHFFFAOYSA-N 0 0 302.374 3.049 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)c1oc(C)nc1C ZINC000269054756 207204404 /nfs/dbraw/zinc/20/44/04/207204404.db2.gz ORSRXDWLWBSROO-UHFFFAOYSA-N 0 0 316.313 3.190 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892221 184193157 /nfs/dbraw/zinc/19/31/57/184193157.db2.gz OKMWVAHERGOLNT-JQWIXIFHSA-N 0 0 324.178 3.139 10 30 DGEERN CC(C)(Cc1ccccc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173898419 252665005 /nfs/dbraw/zinc/66/50/05/252665005.db2.gz GEGILNSHEZZURB-UHFFFAOYSA-N 0 0 322.408 3.322 10 30 DGEERN C[C@H]1CCCC[C@H]1N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000175978070 252697600 /nfs/dbraw/zinc/69/76/00/252697600.db2.gz DUIBMUHKTZACKQ-WMLDXEAASA-N 0 0 315.417 3.157 10 30 DGEERN Cc1oc2ncnc(NCCOc3ccc(C#N)cc3)c2c1C ZINC000119612088 195001823 /nfs/dbraw/zinc/00/18/23/195001823.db2.gz GOKGSRCQBJOMFD-UHFFFAOYSA-N 0 0 308.341 3.202 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC1(c2nc(C)cs2)CCC1)OCC ZINC000270013110 208066150 /nfs/dbraw/zinc/06/61/50/208066150.db2.gz BGNKHJBLXHNKKX-CYBMUJFWSA-N 0 0 308.447 3.318 10 30 DGEERN COC1CCC(CCNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441031104 533036324 /nfs/dbraw/zinc/03/63/24/533036324.db2.gz OUNOJINXKRGCKS-UHFFFAOYSA-N 0 0 321.465 3.211 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2cn[nH]c2)c1 ZINC000270173367 208239233 /nfs/dbraw/zinc/23/92/33/208239233.db2.gz BVZMSFAFTSTABH-LBPRGKRZSA-N 0 0 300.362 3.247 10 30 DGEERN CSCCCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000120216612 195120425 /nfs/dbraw/zinc/12/04/25/195120425.db2.gz ZFKAYYXQGPOAQD-UHFFFAOYSA-N 0 0 318.442 3.071 10 30 DGEERN CC[C@H](CC#N)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000158649783 197290922 /nfs/dbraw/zinc/29/09/22/197290922.db2.gz XDXXYBIWIWZEBJ-OLZOCXBDSA-N 0 0 313.323 3.151 10 30 DGEERN N#Cc1ccccc1OCCN1CCO[C@H](c2cccs2)C1 ZINC000157490910 197191436 /nfs/dbraw/zinc/19/14/36/197191436.db2.gz LKOWGAMSMRRVSL-INIZCTEOSA-N 0 0 314.410 3.072 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C#Cc1ccccc1 ZINC000156184771 197093156 /nfs/dbraw/zinc/09/31/56/197093156.db2.gz KFDLNDQHXDDUMD-AWEZNQCLSA-N 0 0 309.413 3.175 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCc1ccsc1 ZINC000180027582 533164307 /nfs/dbraw/zinc/16/43/07/533164307.db2.gz XLSVHMNUGKMWLG-LBPRGKRZSA-N 0 0 315.398 3.403 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000152012660 196759148 /nfs/dbraw/zinc/75/91/48/196759148.db2.gz NTUAWTPUDRGTSH-FZKQIMNGSA-N 0 0 324.355 3.300 10 30 DGEERN N#Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151444762 196681273 /nfs/dbraw/zinc/68/12/73/196681273.db2.gz PJOCTOIPJVUNQN-CVEARBPZSA-N 0 0 321.332 3.039 10 30 DGEERN N#Cc1ccc(F)c(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125828070 195789232 /nfs/dbraw/zinc/78/92/32/195789232.db2.gz WQEGKKVDMDRKEF-MRXNPFEDSA-N 0 0 302.374 3.332 10 30 DGEERN C[C@H](Cc1ccccc1Br)Nc1cnc(C#N)cn1 ZINC000127101438 195849694 /nfs/dbraw/zinc/84/96/94/195849694.db2.gz ZXBWYSQQGBXFGE-SNVBAGLBSA-N 0 0 317.190 3.154 10 30 DGEERN COc1ccc2c(c1NC(=O)N[C@@H]1CC[C@@H](OC)C1)CCC2 ZINC000330124556 533315282 /nfs/dbraw/zinc/31/52/82/533315282.db2.gz LKKMCXXHWKUCPW-CHWSQXEVSA-N 0 0 304.390 3.077 10 30 DGEERN C=C(C)CCNC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000455322923 533486872 /nfs/dbraw/zinc/48/68/72/533486872.db2.gz JYIFQIJWOKKYKX-INIZCTEOSA-N 0 0 306.381 3.183 10 30 DGEERN C=C(C)CCNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000455318148 533487343 /nfs/dbraw/zinc/48/73/43/533487343.db2.gz YGNIPJRNYIDLIO-CJNGLKHVSA-N 0 0 306.381 3.263 10 30 DGEERN C[C@H](CC#N)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184250874 533596599 /nfs/dbraw/zinc/59/65/99/533596599.db2.gz LWWMWVZAKPNOKS-DGCLKSJQSA-N 0 0 313.323 3.104 10 30 DGEERN C[C@H]1CCN(C(=O)NCC2(CC#N)CC2)[C@@H](c2ccco2)C1 ZINC000366761563 533604225 /nfs/dbraw/zinc/60/42/25/533604225.db2.gz FBUUBRZJJCFVLB-UONOGXRCSA-N 0 0 301.390 3.456 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C ZINC000616234007 400105993 /nfs/dbraw/zinc/10/59/93/400105993.db2.gz LGIPEPPFLHTSKX-IRXDYDNUSA-N 0 0 320.477 3.275 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cnn3c2C[C@@H](C)CC3)c1 ZINC000581431145 400079371 /nfs/dbraw/zinc/07/93/71/400079371.db2.gz YAHRJKRTLIPZKW-ZDUSSCGKSA-N 0 0 311.385 3.283 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000616085635 400081713 /nfs/dbraw/zinc/08/17/13/400081713.db2.gz XMAGMACTHSIMBT-UHFFFAOYSA-N 0 0 323.421 3.479 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000303868083 400117024 /nfs/dbraw/zinc/11/70/24/400117024.db2.gz PWBQRELALVFOCO-UHFFFAOYSA-N 0 0 323.336 3.172 10 30 DGEERN N#CC1(NC(=O)CSc2ccc(F)c(F)c2)CCCCC1 ZINC000017308287 400178702 /nfs/dbraw/zinc/17/87/02/400178702.db2.gz JTRCHVSGEKMSSR-UHFFFAOYSA-N 0 0 310.369 3.400 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cncc(C)c1 ZINC000328609034 400182577 /nfs/dbraw/zinc/18/25/77/400182577.db2.gz CBKXYQQLPREVHH-HOCLYGCPSA-N 0 0 314.389 3.106 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cccc(C)c1 ZINC000328618341 400182729 /nfs/dbraw/zinc/18/27/29/400182729.db2.gz DQKAEENETVBEJA-NVXWUHKLSA-N 0 0 313.401 3.446 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1c(C)noc1C ZINC000328646000 400183537 /nfs/dbraw/zinc/18/35/37/400183537.db2.gz ZXNMNSONMXDEHB-NSHDSACASA-N 0 0 305.403 3.481 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000608815919 400124214 /nfs/dbraw/zinc/12/42/14/400124214.db2.gz PEIJQTYGUXFKPG-LBPRGKRZSA-N 0 0 303.749 3.417 10 30 DGEERN C=CCN(C(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 ZINC000067034649 400138376 /nfs/dbraw/zinc/13/83/76/400138376.db2.gz AXNBCNDHACUTPY-UHFFFAOYSA-N 0 0 314.410 3.217 10 30 DGEERN C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754479 400138548 /nfs/dbraw/zinc/13/85/48/400138548.db2.gz PNNNPZIVKWXQBY-UHFFFAOYSA-N 0 0 307.397 3.364 10 30 DGEERN CN(Cc1ccc(Cl)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000011155749 400140763 /nfs/dbraw/zinc/14/07/63/400140763.db2.gz HQUNNMAEJRSTRH-UHFFFAOYSA-N 0 0 313.788 3.282 10 30 DGEERN COc1cc(C)ccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252215 400154080 /nfs/dbraw/zinc/15/40/80/400154080.db2.gz GFRGAJKKDWRWLK-UHFFFAOYSA-N 0 0 313.332 3.336 10 30 DGEERN Cc1ccc(F)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609251421 400154095 /nfs/dbraw/zinc/15/40/95/400154095.db2.gz CTQLIOUXZMRLRV-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1c(F)cccc1F ZINC000015800987 400168788 /nfs/dbraw/zinc/16/87/88/400168788.db2.gz IHCCGUVZBWRFRX-SNVBAGLBSA-N 0 0 302.280 3.242 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Cl)cc1 ZINC000015800956 400168855 /nfs/dbraw/zinc/16/88/55/400168855.db2.gz TXBOACDJKKJDBN-LBPRGKRZSA-N 0 0 314.772 3.295 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCC1(F)F ZINC000588756685 400227778 /nfs/dbraw/zinc/22/77/78/400227778.db2.gz IPMGXLGLVBPBFI-HNNXBMFYSA-N 0 0 319.355 3.444 10 30 DGEERN C=CCOc1cccnc1-c1nc(-c2c(C)onc2CC)no1 ZINC000351039244 400229848 /nfs/dbraw/zinc/22/98/48/400229848.db2.gz MWVOIQKGVIBIMG-UHFFFAOYSA-N 0 0 312.329 3.222 10 30 DGEERN C=CCCOCCCCc1nc(-c2ccnc3[nH]ccc32)no1 ZINC000351155056 400237147 /nfs/dbraw/zinc/23/71/47/400237147.db2.gz NKFMRDJUZKCTOJ-UHFFFAOYSA-N 0 0 312.373 3.480 10 30 DGEERN Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000610350103 400247171 /nfs/dbraw/zinc/24/71/71/400247171.db2.gz RDBYNNLBWSBSFG-RYUDHWBXSA-N 0 0 314.414 3.445 10 30 DGEERN C=CCC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CCOCC1 ZINC000351315819 400247851 /nfs/dbraw/zinc/24/78/51/400247851.db2.gz GDJRXHGBHCEIME-UHFFFAOYSA-N 0 0 321.358 3.331 10 30 DGEERN COC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610355758 400248611 /nfs/dbraw/zinc/24/86/11/400248611.db2.gz YQDRVLAQEHDEGX-KDOFPFPSSA-N 0 0 323.396 3.306 10 30 DGEERN C=CCC1(c2nc(-c3ccc4nc[nH]c4c3)no2)CCOCC1 ZINC000351366681 400249228 /nfs/dbraw/zinc/24/92/28/400249228.db2.gz ZOHMYKUTRVWTNL-UHFFFAOYSA-N 0 0 310.357 3.237 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C1CCN(c2cccc(C#N)n2)CC1 ZINC000609892056 400200572 /nfs/dbraw/zinc/20/05/72/400200572.db2.gz FRXHFKWUVHHNDE-OAHLLOKOSA-N 0 0 318.424 3.373 10 30 DGEERN C=C(C)CN(CC)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600994478 400200644 /nfs/dbraw/zinc/20/06/44/400200644.db2.gz CAYNPNZKBVIOSJ-UHFFFAOYSA-N 0 0 302.374 3.441 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(NC(=O)COC)cc2)no1 ZINC000349947052 400205898 /nfs/dbraw/zinc/20/58/98/400205898.db2.gz KISHYTHKNTVCEZ-LBPRGKRZSA-N 0 0 315.373 3.391 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000092961093 400216179 /nfs/dbraw/zinc/21/61/79/400216179.db2.gz XTGXCICUBHUJFB-OAHLLOKOSA-N 0 0 317.732 3.265 10 30 DGEERN C[C@@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)c1ccncc1 ZINC000610516909 400269038 /nfs/dbraw/zinc/26/90/38/400269038.db2.gz IQLZZDTVAFIBCZ-NSHDSACASA-N 0 0 324.334 3.417 10 30 DGEERN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000610548846 400274291 /nfs/dbraw/zinc/27/42/91/400274291.db2.gz IKOQFDLIFCILDU-JENIJYKNSA-N 0 0 323.440 3.176 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NC(N)=O)c1 ZINC000617034778 400287028 /nfs/dbraw/zinc/28/70/28/400287028.db2.gz DHUFHYCIYQOYMY-SWLSCSKDSA-N 0 0 301.390 3.042 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)COCc1cccc(OC)c1 ZINC000617037320 400287664 /nfs/dbraw/zinc/28/76/64/400287664.db2.gz LQLBWVKGDWXEME-FUHWJXTLSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)c1cccs1 ZINC000617037656 400287745 /nfs/dbraw/zinc/28/77/45/400287745.db2.gz PJZCNRRSQJXVFY-KGLIPLIRSA-N 0 0 320.458 3.071 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H](C)c2nc(C)c(C(=O)OCC)s2)C1 ZINC000601308330 400287848 /nfs/dbraw/zinc/28/78/48/400287848.db2.gz OUWJQCCDIFIQHG-NSHDSACASA-N 0 0 322.430 3.162 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)COCc1ccc(OC)cc1 ZINC000617037814 400288014 /nfs/dbraw/zinc/28/80/14/400288014.db2.gz QXTZXINTXBDRNZ-WMZOPIPTSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000617036887 400288080 /nfs/dbraw/zinc/28/80/80/400288080.db2.gz GJAJHVKAKPWXCA-MGPQQGTHSA-N 0 0 320.458 3.118 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nc(C)cc(C)n1 ZINC000617035688 400288134 /nfs/dbraw/zinc/28/81/34/400288134.db2.gz QYAVPHKYEXBQHE-LSDHHAIUSA-N 0 0 319.474 3.437 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(C)cc(C)n1 ZINC000617035687 400288172 /nfs/dbraw/zinc/28/81/72/400288172.db2.gz QYAVPHKYEXBQHE-HUUCEWRRSA-N 0 0 319.474 3.437 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)CCC)C1 ZINC000617037998 400288804 /nfs/dbraw/zinc/28/88/04/400288804.db2.gz UCJCMYSHXGZLGY-ZACQAIPSSA-N 0 0 320.477 3.276 10 30 DGEERN CCC1(CC)CCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000610676331 400289761 /nfs/dbraw/zinc/28/97/61/400289761.db2.gz YXJPXBLVVMFKEU-UHFFFAOYSA-N 0 0 303.381 3.419 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000617040084 400289874 /nfs/dbraw/zinc/28/98/74/400289874.db2.gz PKIKMRPJRPMDHY-OCCSQVGLSA-N 0 0 319.401 3.274 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cncn2)c1 ZINC000617040289 400290184 /nfs/dbraw/zinc/29/01/84/400290184.db2.gz RXMVWIHMFFJDCD-YOEHRIQHSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)cc1C ZINC000617040569 400290319 /nfs/dbraw/zinc/29/03/19/400290319.db2.gz WATKTWZCTACUKE-YJBOKZPZSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000617043038 400291013 /nfs/dbraw/zinc/29/10/13/400291013.db2.gz YTSORAPSDHBCAL-RBSFLKMASA-N 0 0 308.466 3.178 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000617043149 400291318 /nfs/dbraw/zinc/29/13/18/400291318.db2.gz ZZFIZFHOSQJFOV-MGPQQGTHSA-N 0 0 318.383 3.122 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000617044844 400292277 /nfs/dbraw/zinc/29/22/77/400292277.db2.gz UDVAOMREDLKOSD-AAEUAGOBSA-N 0 0 316.426 3.454 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2c(=O)n1C ZINC000617043898 400292472 /nfs/dbraw/zinc/29/24/72/400292472.db2.gz GMDFTTZTIYHBPY-PBHICJAKSA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000617045008 400292481 /nfs/dbraw/zinc/29/24/81/400292481.db2.gz WJGVRBGQPMNABV-GDBMZVCRSA-N 0 0 301.434 3.013 10 30 DGEERN Cc1ccccc1CC1CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000610716339 400294809 /nfs/dbraw/zinc/29/48/09/400294809.db2.gz XARAYUXIZISPDX-UHFFFAOYSA-N 0 0 307.353 3.454 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000504056996 400306398 /nfs/dbraw/zinc/30/63/98/400306398.db2.gz UFNNBZFNRKUCSV-INIZCTEOSA-N 0 0 323.481 3.164 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1C ZINC000504468356 400306603 /nfs/dbraw/zinc/30/66/03/400306603.db2.gz FCJITNMWQDLGSN-ZBFHGGJFSA-N 0 0 314.429 3.296 10 30 DGEERN C=CCN(CCC#N)C(=O)C1(c2nccc3ccccc32)CC1 ZINC000601591637 400314059 /nfs/dbraw/zinc/31/40/59/400314059.db2.gz OHJHJXOSBFVNAW-UHFFFAOYSA-N 0 0 305.381 3.195 10 30 DGEERN C=CCCSCCNC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000601620007 400318241 /nfs/dbraw/zinc/31/82/41/400318241.db2.gz GZRPOYVXFVHGKU-CQSZACIVSA-N 0 0 314.401 3.445 10 30 DGEERN C=CC[C@@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601194346 400260485 /nfs/dbraw/zinc/26/04/85/400260485.db2.gz ZCPJJPDHUKRQTB-SECBINFHSA-N 0 0 318.299 3.140 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601202749 400261575 /nfs/dbraw/zinc/26/15/75/400261575.db2.gz HJIZRAKZDMYOOD-UHFFFAOYSA-N 0 0 302.374 3.441 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3nccn3C2)CCCC1 ZINC000617416561 400384037 /nfs/dbraw/zinc/38/40/37/400384037.db2.gz WKCNSCOGGPEKTC-HNNXBMFYSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCC1(CNC(=O)CCCc2nc(C)no2)CCCC1 ZINC000617416447 400384335 /nfs/dbraw/zinc/38/43/35/400384335.db2.gz QPJFVKRBMWCFIE-UHFFFAOYSA-N 0 0 305.422 3.344 10 30 DGEERN C=CCCC1(CNC(=O)COc2ccccc2O)CCCC1 ZINC000617415353 400384611 /nfs/dbraw/zinc/38/46/11/400384611.db2.gz VBHVHGMZJHMBEZ-UHFFFAOYSA-N 0 0 303.402 3.414 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](CC2CCC2)NC(C)=O)CCCC1 ZINC000617418257 400385247 /nfs/dbraw/zinc/38/52/47/400385247.db2.gz XXJLTFFIDPECSQ-QGZVFWFLSA-N 0 0 320.477 3.324 10 30 DGEERN COC(=O)C[C@](C#N)(Cc1ccccc1)c1cccc(OC)c1 ZINC000114244359 400385654 /nfs/dbraw/zinc/38/56/54/400385654.db2.gz DJDOKQYUVDHBBK-IBGZPJMESA-N 0 0 309.365 3.262 10 30 DGEERN COC(=O)C[C@@](C#N)(Cc1ccccc1)c1cccc(OC)c1 ZINC000114244361 400385675 /nfs/dbraw/zinc/38/56/75/400385675.db2.gz DJDOKQYUVDHBBK-LJQANCHMSA-N 0 0 309.365 3.262 10 30 DGEERN C=CCCC1(CNC(=O)CCc2ccc(=O)[nH]c2)CCCC1 ZINC000617417674 400385680 /nfs/dbraw/zinc/38/56/80/400385680.db2.gz AVLGBNGXVBTTMH-UHFFFAOYSA-N 0 0 302.418 3.363 10 30 DGEERN C[C@@H]1CSC(Nc2ccc(I)cc2)=N1 ZINC000035286923 400387610 /nfs/dbraw/zinc/38/76/10/400387610.db2.gz AKPIDTFSDQKBFA-SSDOTTSWSA-N 0 0 318.183 3.004 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC[C@H](C)COC)cc1 ZINC000578210113 400326889 /nfs/dbraw/zinc/32/68/89/400326889.db2.gz AOFHWWDUUVAIPQ-HNNXBMFYSA-N 0 0 302.418 3.195 10 30 DGEERN CCc1ncsc1NC(=O)NCc1ccc(C#N)cc1F ZINC000610963191 400330431 /nfs/dbraw/zinc/33/04/31/400330431.db2.gz BWDOZWFDLXUEIU-UHFFFAOYSA-N 0 0 304.350 3.038 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000578622358 400330487 /nfs/dbraw/zinc/33/04/87/400330487.db2.gz MCKLSEDSGSNIDE-KBPBESRZSA-N 0 0 324.465 3.208 10 30 DGEERN CC(C)(C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC000578790350 400331772 /nfs/dbraw/zinc/33/17/72/400331772.db2.gz LSSNQJVYUIQUJK-UHFFFAOYSA-N 0 0 323.444 3.364 10 30 DGEERN C=C(C)CN(CC)C(=O)CN(C)Cc1cc(Cl)ccc1F ZINC000579194658 400335786 /nfs/dbraw/zinc/33/57/86/400335786.db2.gz TYBNDCZZAINWDV-UHFFFAOYSA-N 0 0 312.816 3.336 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000579591774 400341050 /nfs/dbraw/zinc/34/10/50/400341050.db2.gz NZGJIRJTEBCBJQ-QWRGUYRKSA-N 0 0 303.435 3.131 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000601770718 400346304 /nfs/dbraw/zinc/34/63/04/400346304.db2.gz DBGQNHVYEUPMLP-GFCCVEGCSA-N 0 0 316.184 3.231 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC ZINC000601772213 400347136 /nfs/dbraw/zinc/34/71/36/400347136.db2.gz NXGZMNDQNZIBRI-LBPRGKRZSA-N 0 0 316.184 3.231 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@H]1CC ZINC000580921840 400348731 /nfs/dbraw/zinc/34/87/31/400348731.db2.gz FJFILCFSOKPLQQ-HUUCEWRRSA-N 0 0 314.433 3.467 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1csc(C(F)(F)F)c1)C(=O)OC ZINC000601783215 400348982 /nfs/dbraw/zinc/34/89/82/400348982.db2.gz ALXIGRZXTCNOMM-SECBINFHSA-N 0 0 321.320 3.005 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C(=O)OC ZINC000601783635 400348986 /nfs/dbraw/zinc/34/89/86/400348986.db2.gz CMCQDZRDLLWRHF-ZNMIVQPWSA-N 0 0 321.804 3.068 10 30 DGEERN C=CCCCCCNC(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000581020176 400348999 /nfs/dbraw/zinc/34/89/99/400348999.db2.gz GTKDEDXLVDGOKK-LJQANCHMSA-N 0 0 316.445 3.078 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cccc(SCC)c1)C(=O)OC ZINC000601788080 400349014 /nfs/dbraw/zinc/34/90/14/400349014.db2.gz PLIRFVCOLCOVRG-CQSZACIVSA-N 0 0 307.415 3.036 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cccc(SCC)c1)C(=O)OC ZINC000601788079 400349321 /nfs/dbraw/zinc/34/93/21/400349321.db2.gz PLIRFVCOLCOVRG-AWEZNQCLSA-N 0 0 307.415 3.036 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cccc(C(F)F)c1F)C(=O)OC ZINC000601784405 400349589 /nfs/dbraw/zinc/34/95/89/400349589.db2.gz IEPAFYDNPFZEFI-NSHDSACASA-N 0 0 315.291 3.001 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(CSCC)cc1)C(=O)OC ZINC000601785702 400349763 /nfs/dbraw/zinc/34/97/63/400349763.db2.gz NSOLVMNGWMVGGJ-HNNXBMFYSA-N 0 0 321.442 3.177 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@H](CC)COCC1CC1 ZINC000617327169 400353939 /nfs/dbraw/zinc/35/39/39/400353939.db2.gz JVUWKBSAKOBFCH-OAHLLOKOSA-N 0 0 303.402 3.186 10 30 DGEERN CC[C@H](CC#N)Nc1ccc(I)cc1 ZINC000036987643 400392908 /nfs/dbraw/zinc/39/29/08/400392908.db2.gz YGUGPFZRBFMGAT-SNVBAGLBSA-N 0 0 300.143 3.395 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601855632 400365995 /nfs/dbraw/zinc/36/59/95/400365995.db2.gz ZZLKLFYVCLXGKH-MCIONIFRSA-N 0 0 317.462 3.161 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601861379 400366032 /nfs/dbraw/zinc/36/60/32/400366032.db2.gz LMGXUUAGLSIVCJ-CVEARBPZSA-N 0 0 313.449 3.325 10 30 DGEERN C=CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601874475 400369311 /nfs/dbraw/zinc/36/93/11/400369311.db2.gz YVEKWVFIXPRCSC-KGLIPLIRSA-N 0 0 311.389 3.161 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000041807735 400413802 /nfs/dbraw/zinc/41/38/02/400413802.db2.gz FQUGYAXHEGLPJB-CJNGLKHVSA-N 0 0 300.402 3.319 10 30 DGEERN CC(C)[C@@H](C#N)C(=O)c1ccc(I)cc1 ZINC000041045773 400402591 /nfs/dbraw/zinc/40/25/91/400402591.db2.gz CNKSNSNEHRORQC-LLVKDONJSA-N 0 0 313.138 3.270 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000617519649 400402887 /nfs/dbraw/zinc/40/28/87/400402887.db2.gz QQJCDKRJOXWYCX-OAHLLOKOSA-N 0 0 301.430 3.330 10 30 DGEERN CC[C@@H](C)n1nc(C(=O)NCc2ccc(C#N)cc2F)cc1C ZINC000611493390 400410368 /nfs/dbraw/zinc/41/03/68/400410368.db2.gz AUWFVAYYBZZKDU-LLVKDONJSA-N 0 0 314.364 3.103 10 30 DGEERN C=CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)[C@@H](C)COC ZINC000617585029 400419986 /nfs/dbraw/zinc/41/99/86/400419986.db2.gz RJAUBGFSIXCCNX-GZBFAFLISA-N 0 0 301.377 3.252 10 30 DGEERN CN(C(=O)C[C@@H]1CCOc2ccccc21)c1cccc(C#N)c1 ZINC000117630569 400420307 /nfs/dbraw/zinc/42/03/07/400420307.db2.gz VJMXTZRQJRSNSJ-HNNXBMFYSA-N 0 0 306.365 3.477 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC=CC1 ZINC000602350188 400444082 /nfs/dbraw/zinc/44/40/82/400444082.db2.gz ZUURVPDSXTXFIH-UHFFFAOYSA-N 0 0 315.373 3.259 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2coc(-c3ccnc(C)c3)n2)C1 ZINC000617778340 400451760 /nfs/dbraw/zinc/45/17/60/400451760.db2.gz DQKZQOSZKYVGBK-CQSZACIVSA-N 0 0 311.385 3.473 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C1 ZINC000617778504 400451801 /nfs/dbraw/zinc/45/18/01/400451801.db2.gz HXAIOCXDPMYMEF-SNVBAGLBSA-N 0 0 314.307 3.234 10 30 DGEERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)CCC#N)c12 ZINC000073492118 400452450 /nfs/dbraw/zinc/45/24/50/400452450.db2.gz OWWHPXRIFYXPML-UHFFFAOYSA-N 0 0 320.352 3.184 10 30 DGEERN COC(=O)c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1C ZINC000044631076 400497684 /nfs/dbraw/zinc/49/76/84/400497684.db2.gz DEBIMNOXQORBLW-UHFFFAOYSA-N 0 0 322.364 3.225 10 30 DGEERN CC#CCCCC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618115287 400528448 /nfs/dbraw/zinc/52/84/48/400528448.db2.gz XLKOYTKMNWAHOT-KRWDZBQOSA-N 0 0 301.386 3.153 10 30 DGEERN C=CCC[C@@H](NC[C@@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683975 400537998 /nfs/dbraw/zinc/53/79/98/400537998.db2.gz ZCOILDJENOGUJX-FUHWJXTLSA-N 0 0 316.445 3.000 10 30 DGEERN C=CCC[C@@H](NC[C@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683976 400538489 /nfs/dbraw/zinc/53/84/89/400538489.db2.gz ZCOILDJENOGUJX-SJLPKXTDSA-N 0 0 316.445 3.000 10 30 DGEERN C=CCC1(NC(=O)CSc2ccccc2C)CCOCC1 ZINC000618245073 400548124 /nfs/dbraw/zinc/54/81/24/400548124.db2.gz GWSUFDIJUYRLDA-UHFFFAOYSA-N 0 0 305.443 3.329 10 30 DGEERN C=CCC1(NC(=O)C/C=C/c2cccc(F)c2)CCOCC1 ZINC000618248310 400550627 /nfs/dbraw/zinc/55/06/27/400550627.db2.gz BKAPHXFETWQQMQ-GQCTYLIASA-N 0 0 303.377 3.471 10 30 DGEERN Cc1cc(C)cc(CCNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000131547521 400552301 /nfs/dbraw/zinc/55/23/01/400552301.db2.gz OUFNHBNESFOUST-MRXNPFEDSA-N 0 0 322.408 3.301 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc(OC(F)F)c(F)c1)C(=O)OC ZINC000602732956 400556972 /nfs/dbraw/zinc/55/69/72/400556972.db2.gz FIADNEPGBBEXNT-GFCCVEGCSA-N 0 0 317.307 3.025 10 30 DGEERN C=CCC[C@H](C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1)c1ccccc1 ZINC000618273668 400557201 /nfs/dbraw/zinc/55/72/01/400557201.db2.gz FVQAOGVLZQYXCB-CIRFHOKZSA-N 0 0 301.430 3.212 10 30 DGEERN C=C(C)C[C@H](NCc1nc2ccc(F)cc2s1)C(=O)OC ZINC000602735702 400558760 /nfs/dbraw/zinc/55/87/60/400558760.db2.gz ZIOKGMQYZYODBX-LBPRGKRZSA-N 0 0 308.378 3.033 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC3(C2)CCCCC3)c(F)c1 ZINC000612840645 400613313 /nfs/dbraw/zinc/61/33/13/400613313.db2.gz UYHITUADYPVAFA-UHFFFAOYSA-N 0 0 301.365 3.173 10 30 DGEERN N#Cc1cccc(Cc2nc(Cc3ccc4c(c3)CCO4)no2)c1 ZINC000612912064 400625338 /nfs/dbraw/zinc/62/53/38/400625338.db2.gz PJCOWDHWKSMWGD-UHFFFAOYSA-N 0 0 317.348 3.058 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@]2(C)CC2(F)F)cc1OC ZINC000618610742 400642994 /nfs/dbraw/zinc/64/29/94/400642994.db2.gz DQDYNOOPVWNVHN-HNNXBMFYSA-N 0 0 311.328 3.035 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@H](CC)C(=O)OC ZINC000592256354 400629716 /nfs/dbraw/zinc/62/97/16/400629716.db2.gz CGGXBAVDDJQLBK-ZDUSSCGKSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000135667353 400588552 /nfs/dbraw/zinc/58/85/52/400588552.db2.gz CHZYAFQOMPHNBR-QGZVFWFLSA-N 0 0 318.486 3.201 10 30 DGEERN C=CCC[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000612708097 400590244 /nfs/dbraw/zinc/59/02/44/400590244.db2.gz HMQMYCLVUVWXOP-HZPDHXFCSA-N 0 0 309.413 3.338 10 30 DGEERN C=CCC[C@@H](NC(=O)Cc1ccnc(OC)c1)c1ccccc1 ZINC000612708129 400590465 /nfs/dbraw/zinc/59/04/65/400590465.db2.gz IGYZVRLHDASSKP-QGZVFWFLSA-N 0 0 310.397 3.456 10 30 DGEERN C[C@]12CC[C@H]3[C@@H]([C@H]4O[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000138166362 400596017 /nfs/dbraw/zinc/59/60/17/400596017.db2.gz VXUAXLOVFFOKOO-FOIWVJDZSA-N 0 0 300.398 3.075 10 30 DGEERN C=C(C)CN(C)c1nnc(CCc2ccco2)n1CC1CC1 ZINC000612788370 400602830 /nfs/dbraw/zinc/60/28/30/400602830.db2.gz APPQYVXJADBDNQ-UHFFFAOYSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCOCCCNC(=O)Cc1c(Cl)cccc1Cl ZINC000618514800 400608113 /nfs/dbraw/zinc/60/81/13/400608113.db2.gz NBQHPJQRDPKNMV-UHFFFAOYSA-N 0 0 302.201 3.245 10 30 DGEERN C=CCOCCCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000618514299 400608192 /nfs/dbraw/zinc/60/81/92/400608192.db2.gz HDILWXDLVGJRJO-ZWKOTPCHSA-N 0 0 301.430 3.354 10 30 DGEERN C=CCOCCCNC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000618513549 400608471 /nfs/dbraw/zinc/60/84/71/400608471.db2.gz CZNSZAFDEJNHHM-UHFFFAOYSA-N 0 0 305.393 3.346 10 30 DGEERN C=CCOCCCNC(=O)COc1c(Cl)cccc1Cl ZINC000618515536 400608476 /nfs/dbraw/zinc/60/84/76/400608476.db2.gz YXATTZPPSMBZAA-UHFFFAOYSA-N 0 0 318.200 3.081 10 30 DGEERN C=CCOCCCNC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000618523801 400610778 /nfs/dbraw/zinc/61/07/78/400610778.db2.gz QMRVHZAFTJCVLL-UHFFFAOYSA-N 0 0 311.809 3.206 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000076488732 400657313 /nfs/dbraw/zinc/65/73/13/400657313.db2.gz BRJKKBBUGGLGGU-UHFFFAOYSA-N 0 0 302.418 3.207 10 30 DGEERN C=CCn1c(N(CC)CC)nc2sc3c(c2c1=O)CCCC3 ZINC000048520830 400657441 /nfs/dbraw/zinc/65/74/41/400657441.db2.gz YHBAQPXKDLNMPO-UHFFFAOYSA-N 0 0 317.458 3.369 10 30 DGEERN CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C#N)cc12 ZINC000048522997 400657888 /nfs/dbraw/zinc/65/78/88/400657888.db2.gz CKCMXISVGIBEKW-UHFFFAOYSA-N 0 0 318.332 3.219 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC000076650335 400665203 /nfs/dbraw/zinc/66/52/03/400665203.db2.gz LSIQCNNLVHPSBE-SFHVURJKSA-N 0 0 316.445 3.315 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000076650805 400665299 /nfs/dbraw/zinc/66/52/99/400665299.db2.gz VWRXNSXQYIHMFP-UHFFFAOYSA-N 0 0 320.396 3.435 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000076650900 400665446 /nfs/dbraw/zinc/66/54/46/400665446.db2.gz CNCZGQJVUKHFBP-HNNXBMFYSA-N 0 0 320.820 3.118 10 30 DGEERN COCc1cncc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 ZINC000613175697 400668351 /nfs/dbraw/zinc/66/83/51/400668351.db2.gz PILHQEOZWVXQDH-UHFFFAOYSA-N 0 0 323.396 3.402 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccccc1 ZINC000592709463 400689961 /nfs/dbraw/zinc/68/99/61/400689961.db2.gz SGSGPCUPXNCBBT-ZDRJDWQYSA-N 0 0 319.470 3.372 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000613271661 400686968 /nfs/dbraw/zinc/68/69/68/400686968.db2.gz IDXYNOKFULDQEM-CYBMUJFWSA-N 0 0 314.429 3.415 10 30 DGEERN N#CC1=NN=C2C(Cl)=C(Cl)C(Cl)=C(Cl)[C@@]12C#N ZINC000166420903 400753878 /nfs/dbraw/zinc/75/38/78/400753878.db2.gz PVKWNDMRMHJWOE-SECBINFHSA-N 0 0 305.939 3.223 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592938595 400720577 /nfs/dbraw/zinc/72/05/77/400720577.db2.gz BPWHEXIXKIPTTL-CABCVRRESA-N 0 0 307.434 3.381 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000077604686 400730911 /nfs/dbraw/zinc/73/09/11/400730911.db2.gz XKFQPNPWRFQYPO-UHFFFAOYSA-N 0 0 303.381 3.457 10 30 DGEERN CC#CCNc1ncc(Br)cc1Br ZINC000161119999 400739000 /nfs/dbraw/zinc/73/90/00/400739000.db2.gz OQEOLVWYBXPMKK-UHFFFAOYSA-N 0 0 303.985 3.042 10 30 DGEERN CC#CCCCC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592816015 400704335 /nfs/dbraw/zinc/70/43/35/400704335.db2.gz QXTWMEOANCWXEL-LSDHHAIUSA-N 0 0 307.434 3.006 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000619101242 400766141 /nfs/dbraw/zinc/76/61/41/400766141.db2.gz FQWWKYLEUFDTGL-RLFYNMQTSA-N 0 0 323.477 3.458 10 30 DGEERN C[C@@H]1C[C@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000171052160 400783678 /nfs/dbraw/zinc/78/36/78/400783678.db2.gz IPFIHGNERYPPCD-FZKQIMNGSA-N 0 0 306.365 3.275 10 30 DGEERN N#Cc1ccc(CNC(=O)Cc2cccc(C(F)F)c2)c(F)c1 ZINC000619209015 400799925 /nfs/dbraw/zinc/79/99/25/400799925.db2.gz WZEAAKMYVCTFSF-UHFFFAOYSA-N 0 0 318.298 3.494 10 30 DGEERN C=CCCN(C)C(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000613842917 400800480 /nfs/dbraw/zinc/80/04/80/400800480.db2.gz ZVJYAZOHGXJYFW-INIZCTEOSA-N 0 0 322.408 3.241 10 30 DGEERN C[C@H](C#N)CNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000619612919 400872859 /nfs/dbraw/zinc/87/28/59/400872859.db2.gz OWONNEHFVXYYRM-MRXNPFEDSA-N 0 0 306.409 3.364 10 30 DGEERN Cc1nc([C@@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)n2)no1 ZINC000619695311 400888181 /nfs/dbraw/zinc/88/81/81/400888181.db2.gz HLDQLUJWAFZLNH-NSHDSACASA-N 0 0 323.278 3.005 10 30 DGEERN C=C[C@@H](CC(=O)NCc1ccc(CO)c(F)c1)c1ccccc1 ZINC000179164629 400876505 /nfs/dbraw/zinc/87/65/05/400876505.db2.gz BCJLXMAPZYXCSX-HNNXBMFYSA-N 0 0 313.372 3.294 10 30 DGEERN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(F)c1 ZINC000055558060 400878031 /nfs/dbraw/zinc/87/80/31/400878031.db2.gz ZYMCPTWJPDPWRG-UHFFFAOYSA-N 0 0 324.764 3.460 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000179768923 400879504 /nfs/dbraw/zinc/87/95/04/400879504.db2.gz RSDRGHMHHKGCHO-ZDUSSCGKSA-N 0 0 324.446 3.265 10 30 DGEERN CC(C)(CC(F)(F)F)NC(=O)NCC1CCC(C#N)CC1 ZINC000619670842 400880959 /nfs/dbraw/zinc/88/09/59/400880959.db2.gz MFJZOAVXNUPTGH-UHFFFAOYSA-N 0 0 305.344 3.347 10 30 DGEERN N#CC1(c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000180024028 400882056 /nfs/dbraw/zinc/88/20/56/400882056.db2.gz AYMSPZYZQFTVHP-UHFFFAOYSA-N 0 0 321.336 3.080 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC000180189766 400883187 /nfs/dbraw/zinc/88/31/87/400883187.db2.gz JECXCJPINIBNSN-NSHDSACASA-N 0 0 302.683 3.391 10 30 DGEERN C=CCCOCC(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 ZINC000619381632 400831244 /nfs/dbraw/zinc/83/12/44/400831244.db2.gz VHMKWROSNZWJGY-CYBMUJFWSA-N 0 0 323.820 3.263 10 30 DGEERN C=CC[C@@H]1N(C(=O)[C@@H]2CCc3nc[nH]c3C2)CCCC1(C)C ZINC000614054928 400832098 /nfs/dbraw/zinc/83/20/98/400832098.db2.gz IACIMMUFEZCNJH-CJNGLKHVSA-N 0 0 301.434 3.108 10 30 DGEERN C[C@H](COCc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000172781157 400839196 /nfs/dbraw/zinc/83/91/96/400839196.db2.gz IRNXHNZHJYZXLK-CYBMUJFWSA-N 0 0 311.341 3.484 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C1CCN(c2ccncc2C#N)CC1 ZINC000614122088 400840574 /nfs/dbraw/zinc/84/05/74/400840574.db2.gz DRTFORFRDQLXQC-OAHLLOKOSA-N 0 0 318.424 3.373 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000180835472 400885747 /nfs/dbraw/zinc/88/57/47/400885747.db2.gz RIIQZCOUGVIGQF-CHWSQXEVSA-N 0 0 306.454 3.012 10 30 DGEERN N#CC1(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCCC1 ZINC000173078312 400842401 /nfs/dbraw/zinc/84/24/01/400842401.db2.gz AZPJKJVCHTZVNN-UHFFFAOYSA-N 0 0 322.368 3.180 10 30 DGEERN C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000619438723 400848541 /nfs/dbraw/zinc/84/85/41/400848541.db2.gz HPCUKLVMEYXUFC-AWEZNQCLSA-N 0 0 307.397 3.416 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000619561759 400866865 /nfs/dbraw/zinc/86/68/65/400866865.db2.gz DUAPCWLHSADOCI-QAQDUYKDSA-N 0 0 323.371 3.443 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@H](CO)c1ccccc1OC ZINC000633411079 400940022 /nfs/dbraw/zinc/94/00/22/400940022.db2.gz IUTWCDGZDLIOHV-OAHLLOKOSA-N 0 0 320.433 3.020 10 30 DGEERN COc1ccc(C(CC=O)(CC=O)c2ccc(OC)cc2)cc1 ZINC000213561548 400945103 /nfs/dbraw/zinc/94/51/03/400945103.db2.gz DUEMQKZRXRSFIR-UHFFFAOYSA-N 0 0 312.365 3.168 10 30 DGEERN CN(CCc1nccs1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181579123 400889326 /nfs/dbraw/zinc/88/93/26/400889326.db2.gz SJYONLTVOGGMGC-UHFFFAOYSA-N 0 0 311.410 3.013 10 30 DGEERN C=C[C@H](N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)OC 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C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccsc1 ZINC000619762653 400902089 /nfs/dbraw/zinc/90/20/89/400902089.db2.gz GVKPAPJJUXEBEN-JTQLQIEISA-N 0 0 303.362 3.319 10 30 DGEERN CCc1cnccc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000184961761 400904573 /nfs/dbraw/zinc/90/45/73/400904573.db2.gz YXBMVRATIHQOQR-LJQANCHMSA-N 0 0 307.397 3.289 10 30 DGEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(C(C)C)cc2)nn1 ZINC000593933633 400921526 /nfs/dbraw/zinc/92/15/26/400921526.db2.gz HLAMXZZDPXMNQA-QFIPXVFZSA-N 0 0 317.458 3.427 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@H](C)c2ccc(F)cc2)nn1 ZINC000593936331 400922605 /nfs/dbraw/zinc/92/26/05/400922605.db2.gz SDUDICFWHWFBRY-GTJPDFRWSA-N 0 0 307.394 3.003 10 30 DGEERN C=CCN(Cc1nnc(C(C)C)n1C)Cc1ccc(OC)cc1 ZINC000195097283 400923303 /nfs/dbraw/zinc/92/33/03/400923303.db2.gz ZDFWFEIUKZTUJW-UHFFFAOYSA-N 0 0 314.433 3.135 10 30 DGEERN C=C(C)[C@H](CC(=O)NCc1ccc(-c2c[nH]cn2)cc1)OCC ZINC000633523392 400986048 /nfs/dbraw/zinc/98/60/48/400986048.db2.gz JZCNFJXWDHEAQF-KRWDZBQOSA-N 0 0 313.401 3.064 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/nfs/dbraw/zinc/02/56/19/165025619.db2.gz DEFMPAONQICBJX-GFCCVEGCSA-N 0 0 307.332 3.451 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C#N)s1 ZINC000186023177 165025700 /nfs/dbraw/zinc/02/57/00/165025700.db2.gz UBOCZSLUXARLDR-NSHDSACASA-N 0 0 320.381 3.245 10 30 DGEERN CC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC000187161492 165078955 /nfs/dbraw/zinc/07/89/55/165078955.db2.gz ZWPHZVLMHXATNI-AWEZNQCLSA-N 0 0 311.410 3.314 10 30 DGEERN N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000187420487 165088420 /nfs/dbraw/zinc/08/84/20/165088420.db2.gz HWMAKPOKZJOQDK-HXUWFJFHSA-N 0 0 321.424 3.020 10 30 DGEERN N#Cc1ccc(COc2cc(Cl)ccc2C(N)=O)cc1F ZINC000187922175 165107390 /nfs/dbraw/zinc/10/73/90/165107390.db2.gz CNWBSVMOEQXWLC-UHFFFAOYSA-N 0 0 304.708 3.029 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000188845954 165139989 /nfs/dbraw/zinc/13/99/89/165139989.db2.gz FEJVSHGLNTXTBZ-UHFFFAOYSA-N 0 0 322.393 3.400 10 30 DGEERN CCN(C)C(=O)c1cccc(OCc2ccc(C#N)c(F)c2)c1 ZINC000190085383 165187534 /nfs/dbraw/zinc/18/75/34/165187534.db2.gz INMZCGYONWTTND-UHFFFAOYSA-N 0 0 312.344 3.368 10 30 DGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(C#N)cc1 ZINC000190041306 165187731 /nfs/dbraw/zinc/18/77/31/165187731.db2.gz TWVIAVCMRZROBE-KRWDZBQOSA-N 0 0 321.380 3.190 10 30 DGEERN N#Cc1ccc(CN2CCc3cc(Br)ccc3C2)o1 ZINC000191613481 165260255 /nfs/dbraw/zinc/26/02/55/165260255.db2.gz DXYMDLLFFOPXDK-UHFFFAOYSA-N 0 0 317.186 3.472 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000192169592 165285377 /nfs/dbraw/zinc/28/53/77/165285377.db2.gz GYNBVYNVWIEMSJ-UHFFFAOYSA-N 0 0 316.773 3.412 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(Cl)c2-n2cccn2)ccn1 ZINC000192779936 165305978 /nfs/dbraw/zinc/30/59/78/165305978.db2.gz FIHFKUMDWIYLJA-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)ccn1 ZINC000193017392 165314727 /nfs/dbraw/zinc/31/47/27/165314727.db2.gz LEMHLYRXUBFNPH-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccn1 ZINC000193559290 165329703 /nfs/dbraw/zinc/32/97/03/165329703.db2.gz GWYCNHKHWQEMGR-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN Cc1ccc(Br)c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193722907 165331383 /nfs/dbraw/zinc/33/13/83/165331383.db2.gz ZFJCFUMHFJYHTR-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000194141057 165337814 /nfs/dbraw/zinc/33/78/14/165337814.db2.gz MAEHBMZOZLDFFC-HNNXBMFYSA-N 0 0 321.380 3.411 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1c(F)cccc1F ZINC000194228413 165341379 /nfs/dbraw/zinc/34/13/79/165341379.db2.gz DSBZQZYGMGAZPT-NSHDSACASA-N 0 0 316.307 3.267 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194748010 165354383 /nfs/dbraw/zinc/35/43/83/165354383.db2.gz OEHFWXFZIUHHQK-OAHLLOKOSA-N 0 0 323.352 3.212 10 30 DGEERN CC(C)(C)OC(=O)c1ccc(C[S@@](=O)CCCC#N)cc1 ZINC000190832324 432192505 /nfs/dbraw/zinc/19/25/05/432192505.db2.gz MXBNVXJBVRWHCT-NRFANRHFSA-N 0 0 307.415 3.194 10 30 DGEERN N#Cc1ccc(C[S@@](=O)Cc2csc(C3CC3)n2)cc1F ZINC000190841351 432194210 /nfs/dbraw/zinc/19/42/10/432194210.db2.gz SOUPOMYCUKRMBH-OAQYLSRUSA-N 0 0 320.414 3.480 10 30 DGEERN CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247157448 432207598 /nfs/dbraw/zinc/20/75/98/432207598.db2.gz ZBNBWJVLFAYZBD-LZWOXQAQSA-N 0 0 300.402 3.411 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)c2sccc2C#N)C12CCCC2 ZINC000134020438 196354456 /nfs/dbraw/zinc/35/44/56/196354456.db2.gz DXPMGXRFRAOCOZ-KBPBESRZSA-N 0 0 318.442 3.430 10 30 DGEERN C[C@H](Oc1ccc(C#N)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000134290989 196376790 /nfs/dbraw/zinc/37/67/90/196376790.db2.gz DTYZYRFMSPILKD-STQMWFEESA-N 0 0 312.344 3.342 10 30 DGEERN C[C@@H](CC#N)N(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094107601 226875353 /nfs/dbraw/zinc/87/53/53/226875353.db2.gz SHGFQEQUUYJRGE-LBPRGKRZSA-N 0 0 302.374 3.016 10 30 DGEERN N#CCC[C@H](C#N)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000131564324 227025388 /nfs/dbraw/zinc/02/53/88/227025388.db2.gz JZSTYIQRRHNPCC-GFCCVEGCSA-N 0 0 308.337 3.104 10 30 DGEERN Cc1ccnc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000146703246 227052313 /nfs/dbraw/zinc/05/23/13/227052313.db2.gz HFOYDFSLJCPDQU-UHFFFAOYSA-N 0 0 301.390 3.182 10 30 DGEERN N#CCCN(Cc1nc2cc(F)ccc2o1)Cc1ccccn1 ZINC000151689058 227062591 /nfs/dbraw/zinc/06/25/91/227062591.db2.gz YHSUSOWBKBFRPU-UHFFFAOYSA-N 0 0 310.332 3.278 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000161266256 228251035 /nfs/dbraw/zinc/25/10/35/228251035.db2.gz MBLTVSIGRQMKCM-UHFFFAOYSA-N 0 0 305.337 3.004 10 30 DGEERN N#Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1Cl ZINC000168601364 228266384 /nfs/dbraw/zinc/26/63/84/228266384.db2.gz BTYJAIBXAKSALZ-UHFFFAOYSA-N 0 0 312.822 3.070 10 30 DGEERN N#CC1(C(=O)N2CCC(Cc3ccccn3)CC2)CCCCC1 ZINC000171614726 228272641 /nfs/dbraw/zinc/27/26/41/228272641.db2.gz RSWWYUWQHLLNJS-UHFFFAOYSA-N 0 0 311.429 3.337 10 30 DGEERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000173214776 228279368 /nfs/dbraw/zinc/27/93/68/228279368.db2.gz QSEGDOXTCPLXTK-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN N#Cc1ccc(OCCNC(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000175892133 228306820 /nfs/dbraw/zinc/30/68/20/228306820.db2.gz PWOOMCFAEAOTBS-UHFFFAOYSA-N 0 0 320.352 3.240 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)NC2(C#N)CCCCC2)s1 ZINC000176317078 228311319 /nfs/dbraw/zinc/31/13/19/228311319.db2.gz JFRAZQHEMILRTI-LLVKDONJSA-N 0 0 307.419 3.115 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C#N)C2CCCCC2)s1 ZINC000177061080 228323645 /nfs/dbraw/zinc/32/36/45/228323645.db2.gz VTQWVWDANLIFJT-AAEUAGOBSA-N 0 0 321.446 3.361 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000178381111 228340745 /nfs/dbraw/zinc/34/07/45/228340745.db2.gz NVIZTKMLVYOAMY-CYBMUJFWSA-N 0 0 305.337 3.144 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)NCc1nccn1CC(C)C ZINC000178535200 228342969 /nfs/dbraw/zinc/34/29/69/228342969.db2.gz ZBNAHDAVOKVBHT-UHFFFAOYSA-N 0 0 311.389 3.041 10 30 DGEERN Cc1ncsc1CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180497209 228356603 /nfs/dbraw/zinc/35/66/03/228356603.db2.gz HVRPULLIDFHLRF-UHFFFAOYSA-N 0 0 311.410 3.279 10 30 DGEERN Cc1ccc(OCCNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182373808 228367794 /nfs/dbraw/zinc/36/77/94/228367794.db2.gz YEWMVEGTACRSNG-UHFFFAOYSA-N 0 0 320.392 3.359 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccoc2C)cn1 ZINC000328635938 228905612 /nfs/dbraw/zinc/90/56/12/228905612.db2.gz VEFKCFXGOASORY-LSDHHAIUSA-N 0 0 303.362 3.029 10 30 DGEERN O=C(NC1CC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328701242 228909287 /nfs/dbraw/zinc/90/92/87/228909287.db2.gz IZUYXWRGOZZZFC-HOCLYGCPSA-N 0 0 315.348 3.208 10 30 DGEERN C[C@H]1CCc2nc(NC(=O)CCc3cnccn3)sc2C1 ZINC000330002273 228971463 /nfs/dbraw/zinc/97/14/63/228971463.db2.gz YRDWSXZQYRVQGS-JTQLQIEISA-N 0 0 302.403 3.279 10 30 DGEERN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330014913 228971772 /nfs/dbraw/zinc/97/17/72/228971772.db2.gz BFWKXTXHRTYHDL-IXYNUQLISA-N 0 0 305.422 3.281 10 30 DGEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC000330168651 228979542 /nfs/dbraw/zinc/97/95/42/228979542.db2.gz WLMRCRBNNLSNLE-YPMHNXCESA-N 0 0 300.362 3.087 10 30 DGEERN O=C(NC1(CCO)CCCCC1)c1coc(Br)c1 ZINC000330739419 229002391 /nfs/dbraw/zinc/00/23/91/229002391.db2.gz PYHKZRLWENZFHJ-UHFFFAOYSA-N 0 0 316.195 3.432 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000301858626 229943648 /nfs/dbraw/zinc/94/36/48/229943648.db2.gz CWJGUUUXYYLBBE-LBPRGKRZSA-N 0 0 323.444 3.226 10 30 DGEERN Cc1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nc1C#N ZINC000302639947 230330125 /nfs/dbraw/zinc/33/01/25/230330125.db2.gz KYVURYBGBHKFGH-INIZCTEOSA-N 0 0 315.323 3.118 10 30 DGEERN COc1ccc(CS[C@@H]2CCCN(C(C)C)C2=O)cc1C#N ZINC000179514638 263560945 /nfs/dbraw/zinc/56/09/45/263560945.db2.gz MYRLLFDOLOCHHU-MRXNPFEDSA-N 0 0 318.442 3.199 10 30 DGEERN Cc1cc(CCNC(=O)Nc2ccc(C#N)cc2)cc(C)c1O ZINC000190876163 263744740 /nfs/dbraw/zinc/74/47/40/263744740.db2.gz SDBYUOAZBPJTIH-UHFFFAOYSA-N 0 0 309.369 3.245 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2ccn(C)c21 ZINC000191587716 263758019 /nfs/dbraw/zinc/75/80/19/263758019.db2.gz ZPYDKMBIGPKRHD-ZDUSSCGKSA-N 0 0 319.364 3.456 10 30 DGEERN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000193641204 263797325 /nfs/dbraw/zinc/79/73/25/263797325.db2.gz JBGJEEZZGYNEEL-LLVKDONJSA-N 0 0 317.776 3.402 10 30 DGEERN N#Cc1ccc(CC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000194864712 263822433 /nfs/dbraw/zinc/82/24/33/263822433.db2.gz GHUSUBKIXRHJCH-IBGZPJMESA-N 0 0 322.383 3.474 10 30 DGEERN CCCc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)n[nH]1 ZINC000122869734 270003571 /nfs/dbraw/zinc/00/35/71/270003571.db2.gz KKBFAFYDGINPIV-UHFFFAOYSA-N 0 0 312.373 3.030 10 30 DGEERN N#Cc1cccnc1Oc1ccccc1NCc1ncccn1 ZINC000359026815 270004020 /nfs/dbraw/zinc/00/40/20/270004020.db2.gz FZNQMJMLSSNWSS-UHFFFAOYSA-N 0 0 303.325 3.148 10 30 DGEERN COc1ccnc2c(NC(=O)c3sccc3C#N)cccc12 ZINC000534320303 270004973 /nfs/dbraw/zinc/00/49/73/270004973.db2.gz IDNZCTRTLIHEJS-UHFFFAOYSA-N 0 0 309.350 3.429 10 30 DGEERN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1cccc(C#N)c1 ZINC000534308761 270005041 /nfs/dbraw/zinc/00/50/41/270005041.db2.gz OHBZBASHTPJZIE-CYBMUJFWSA-N 0 0 324.355 3.018 10 30 DGEERN COc1ccc(C[C@@H](C)CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000533998966 270005139 /nfs/dbraw/zinc/00/51/39/270005139.db2.gz VJNZLSZNJVGULA-OAHLLOKOSA-N 0 0 322.408 3.104 10 30 DGEERN COc1cc(Br)cc(NCc2nc(C#N)cs2)c1 ZINC000352838276 265191536 /nfs/dbraw/zinc/19/15/36/265191536.db2.gz LRVKPCLPTWJAKI-UHFFFAOYSA-N 0 0 324.203 3.398 10 30 DGEERN CC(C)(COCc1ccccc1)NCc1nc(C#N)cs1 ZINC000352904762 265223659 /nfs/dbraw/zinc/22/36/59/265223659.db2.gz UQEVRKMMVGHPST-UHFFFAOYSA-N 0 0 301.415 3.100 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184608046 265581202 /nfs/dbraw/zinc/58/12/02/265581202.db2.gz GINZNWARAAZMSE-CYBMUJFWSA-N 0 0 324.388 3.005 10 30 DGEERN COc1cc(C#N)cc(OCc2noc(-c3ccccc3)n2)c1 ZINC000362710720 266782617 /nfs/dbraw/zinc/78/26/17/266782617.db2.gz GXAFLKYLCKBYKO-UHFFFAOYSA-N 0 0 307.309 3.196 10 30 DGEERN CCCCCc1nnc(NC(=O)Cc2cccc(C#N)c2)s1 ZINC000530668931 267004527 /nfs/dbraw/zinc/00/45/27/267004527.db2.gz AOJUKHIGKPZUPH-UHFFFAOYSA-N 0 0 314.414 3.324 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531582866 267025962 /nfs/dbraw/zinc/02/59/62/267025962.db2.gz QUZVCOKSQUSELG-UHFFFAOYSA-N 0 0 318.380 3.433 10 30 DGEERN CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000523417489 267209154 /nfs/dbraw/zinc/20/91/54/267209154.db2.gz DTJNUIMDUGGWIZ-BLLLJJGKSA-N 0 0 324.421 3.287 10 30 DGEERN Cc1cc(OC(F)F)c(C(=O)Nc2cc(C#N)ccn2)s1 ZINC000357429946 267351739 /nfs/dbraw/zinc/35/17/39/267351739.db2.gz YTTUPIUTUYABOF-UHFFFAOYSA-N 0 0 309.297 3.177 10 30 DGEERN COc1ccc([C@@H](C)N(C)C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530910787 267637497 /nfs/dbraw/zinc/63/74/97/267637497.db2.gz RIGYGOAJTXAVKN-CQSZACIVSA-N 0 0 308.381 3.329 10 30 DGEERN COc1ccc([C@@H](NC(=O)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000531386751 267639046 /nfs/dbraw/zinc/63/90/46/267639046.db2.gz BPCSRVJTRWBIED-FQEVSTJZSA-N 0 0 320.392 3.377 10 30 DGEERN C[C@@H](CO)[C@H](C)Nc1c(Br)cc(Cl)cc1C#N ZINC000519847754 267704795 /nfs/dbraw/zinc/70/47/95/267704795.db2.gz ZTTPHQCEDAFHLB-YUMQZZPRSA-N 0 0 317.614 3.403 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000484561393 267855875 /nfs/dbraw/zinc/85/58/75/267855875.db2.gz FPQBYMZPKIHNDW-OXQOHEQNSA-N 0 0 322.408 3.399 10 30 DGEERN N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000371314524 268227499 /nfs/dbraw/zinc/22/74/99/268227499.db2.gz SWKAAMXJMHKNRD-HWWDLCQESA-N 0 0 320.396 3.001 10 30 DGEERN N#Cc1cccc(CCNC(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000377223412 268243019 /nfs/dbraw/zinc/24/30/19/268243019.db2.gz KLUPPTITHWGRBQ-UHFFFAOYSA-N 0 0 317.392 3.362 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000531152867 268273686 /nfs/dbraw/zinc/27/36/86/268273686.db2.gz ZNIOWXPIMXMKSX-LJQANCHMSA-N 0 0 304.393 3.192 10 30 DGEERN CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000151444985 432247345 /nfs/dbraw/zinc/24/73/45/432247345.db2.gz AUZSYSITFMTPER-MRXNPFEDSA-N 0 0 307.369 3.006 10 30 DGEERN C#CCSCCNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000158999315 275384893 /nfs/dbraw/zinc/38/48/93/275384893.db2.gz COCGADPBNLUORA-UHFFFAOYSA-N 0 0 320.311 3.332 10 30 DGEERN CC(C)(C)OC(=O)n1cc(C#N)c2cc(Br)cnc21 ZINC000095937082 275523946 /nfs/dbraw/zinc/52/39/46/275523946.db2.gz KEQOIULNDRYJPI-UHFFFAOYSA-N 0 0 322.162 3.454 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494827225 275751955 /nfs/dbraw/zinc/75/19/55/275751955.db2.gz ZDWIPVUBINKBSQ-NSHDSACASA-N 0 0 303.793 3.394 10 30 DGEERN C=CCOc1ccc(CNc2ncc3c(n2)COC3)cc1Cl ZINC000630956096 429969390 /nfs/dbraw/zinc/96/93/90/429969390.db2.gz KUIUOYJOSCPBDQ-UHFFFAOYSA-N 0 0 317.776 3.337 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2cc(C)n(CC(F)(F)F)n2)C1 ZINC000626589996 429951179 /nfs/dbraw/zinc/95/11/79/429951179.db2.gz UCXZASVKGFCPJQ-NSHDSACASA-N 0 0 316.327 3.184 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCc2cc(F)c(F)cc21 ZINC000438450308 276875997 /nfs/dbraw/zinc/87/59/97/276875997.db2.gz FJPXPNHDYGGHSO-BLLLJJGKSA-N 0 0 322.355 3.018 10 30 DGEERN C=CCOc1ccc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1 ZINC000414187316 276906137 /nfs/dbraw/zinc/90/61/37/276906137.db2.gz IHLPICORENSMPN-SFHVURJKSA-N 0 0 320.392 3.419 10 30 DGEERN C#CCC1(C(=O)N2CCC3(CCOCC3)[C@H]2C)CCCCC1 ZINC000376399684 277670673 /nfs/dbraw/zinc/67/06/73/277670673.db2.gz JFHDKHWGGBPCCA-MRXNPFEDSA-N 0 0 303.446 3.378 10 30 DGEERN COc1c(C#N)cc(Br)c(Br)c1OC ZINC000098180723 277779645 /nfs/dbraw/zinc/77/96/45/277779645.db2.gz ASECFLNVJUDAOO-UHFFFAOYSA-N 0 0 320.968 3.100 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000338847678 277784478 /nfs/dbraw/zinc/78/44/78/277784478.db2.gz BZRWFKYZSGVHEU-CVEARBPZSA-N 0 0 318.465 3.231 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453470914 277785543 /nfs/dbraw/zinc/78/55/43/277785543.db2.gz RSLXQIOHJKRXCL-ZQIUZPCESA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000278189801 277805492 /nfs/dbraw/zinc/80/54/92/277805492.db2.gz DTQIDEBXLGQFMQ-MLGOLLRUSA-N 0 0 307.340 3.225 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000469177859 277807645 /nfs/dbraw/zinc/80/76/45/277807645.db2.gz PMSDIUHGXZSVAP-FRFSOERESA-N 0 0 319.376 3.137 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000357296959 277832719 /nfs/dbraw/zinc/83/27/19/277832719.db2.gz ZUEHXVCENLSPLE-DNVCBOLYSA-N 0 0 315.413 3.016 10 30 DGEERN CN(C(=O)CNc1cc(C#N)c2ccccc2n1)C1CCCCC1 ZINC000610489444 430563587 /nfs/dbraw/zinc/56/35/87/430563587.db2.gz IMUQSUNAFQXLHQ-UHFFFAOYSA-N 0 0 322.412 3.309 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000456132780 277916901 /nfs/dbraw/zinc/91/69/01/277916901.db2.gz SCDYAIZOJJDQPZ-MBNYWOFBSA-N 0 0 307.356 3.405 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000371666253 278170940 /nfs/dbraw/zinc/17/09/40/278170940.db2.gz SPFCWOJNRQYXES-FXAWDEMLSA-N 0 0 308.425 3.433 10 30 DGEERN C[C@]1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCCNC1=O ZINC000330298078 278559619 /nfs/dbraw/zinc/55/96/19/278559619.db2.gz HFGUFZKFTAVMPW-INIZCTEOSA-N 0 0 316.336 3.356 10 30 DGEERN CC[C@@H]1C(=O)C(c2nc3ccccc3[nH]2)=C(N)N1c1ccccc1 ZINC000000044691 431113333 /nfs/dbraw/zinc/11/33/33/431113333.db2.gz HWCYRUXXIRCKJW-OAHLLOKOSA-N 0 0 318.380 3.058 10 30 DGEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C#N)cc1 ZINC000103377445 279012814 /nfs/dbraw/zinc/01/28/14/279012814.db2.gz PAANNBCMDCGKDL-LLVKDONJSA-N 0 0 307.309 3.058 10 30 DGEERN C=CC12CC[NH+](CC1)[C@H]([C@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345735 431168964 /nfs/dbraw/zinc/16/89/64/431168964.db2.gz FNBBFRCDCVFRON-RBUKOAKNSA-N 0 0 324.424 3.317 10 30 DGEERN COC(=O)c1cc(F)ccc1CN(CCC#N)CC(C)(C)C ZINC000111250381 431201339 /nfs/dbraw/zinc/20/13/39/431201339.db2.gz KVDVWIXWTJNMRJ-UHFFFAOYSA-N 0 0 306.381 3.374 10 30 DGEERN N#C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C1CC1 ZINC000108839857 431156784 /nfs/dbraw/zinc/15/67/84/431156784.db2.gz PYIFPUYARASFQM-ZDUSSCGKSA-N 0 0 301.733 3.027 10 30 DGEERN C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@@H](C(C)(C)O)C3 ZINC000000898291 431209880 /nfs/dbraw/zinc/20/98/80/431209880.db2.gz JCDLLLXYAICSQV-MRXNPFEDSA-N 0 0 314.381 3.331 10 30 biogenic,in-vitro DGEERN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)ccn1 ZINC000285996265 279501210 /nfs/dbraw/zinc/50/12/10/279501210.db2.gz CZYZYRXWMTZCON-OTWHNJEPSA-N 0 0 317.392 3.362 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)o1 ZINC000452190262 279512931 /nfs/dbraw/zinc/51/29/31/279512931.db2.gz XUARUTMERFKLJN-CQSZACIVSA-N 0 0 302.280 3.237 10 30 DGEERN Cc1cccc(C)c1NC(=S)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000003238223 431286655 /nfs/dbraw/zinc/28/66/55/431286655.db2.gz SYVGHNXMBITXFF-OVCLIPMQSA-N 0 0 318.358 3.125 10 30 DGEERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](C#N)C1CC1 ZINC000112908441 431316933 /nfs/dbraw/zinc/31/69/33/431316933.db2.gz MMBGEZSKFLWASA-LDYMZIIASA-N 0 0 313.184 3.179 10 30 DGEERN C[C@@H]1C[C@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000072094798 431332043 /nfs/dbraw/zinc/33/20/43/431332043.db2.gz WBEFINIFWHIXDP-FZKQIMNGSA-N 0 0 306.365 3.275 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000076650460 431558060 /nfs/dbraw/zinc/55/80/60/431558060.db2.gz HLKCIJWKVHPGBM-UHFFFAOYSA-N 0 0 316.430 3.135 10 30 DGEERN C=CC[C@@H](C)NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000116857506 431533062 /nfs/dbraw/zinc/53/30/62/431533062.db2.gz LUFRFCUGPNNGTO-LLVKDONJSA-N 0 0 304.777 3.348 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000116971719 431540060 /nfs/dbraw/zinc/54/00/60/431540060.db2.gz BVZNIWUADHHTBI-DOMZBBRYSA-N 0 0 308.809 3.388 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000116974308 431543090 /nfs/dbraw/zinc/54/30/90/431543090.db2.gz RJSUEHUOMLOEPB-GOEBONIOSA-N 0 0 302.418 3.376 10 30 DGEERN C=CCCCN(C)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000076492429 431552200 /nfs/dbraw/zinc/55/22/00/431552200.db2.gz PIMCQYOITQSEHI-UHFFFAOYSA-N 0 0 301.415 3.172 10 30 DGEERN C=CCCCN(C)C(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000076489641 431553194 /nfs/dbraw/zinc/55/31/94/431553194.db2.gz ANILWVYGAPFYMM-UHFFFAOYSA-N 0 0 320.458 3.091 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cccc(Br)c1 ZINC000076854114 431565705 /nfs/dbraw/zinc/56/57/05/431565705.db2.gz QNFUQEAVSLOEDS-UHFFFAOYSA-N 0 0 318.236 3.036 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000076945933 431565908 /nfs/dbraw/zinc/56/59/08/431565908.db2.gz URFRAFKTVCGSRX-ZDUSSCGKSA-N 0 0 303.406 3.314 10 30 DGEERN CC[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)sc2C1 ZINC000408424647 280339305 /nfs/dbraw/zinc/33/93/05/280339305.db2.gz FVWAYPOSGBHUEO-IJLUTSLNSA-N 0 0 318.446 3.472 10 30 DGEERN CC[C@@H]1CCc2nc(NC(=O)N[C@H]3CCC[C@H]3C#N)sc2C1 ZINC000408424649 280339338 /nfs/dbraw/zinc/33/93/38/280339338.db2.gz FVWAYPOSGBHUEO-WOPDTQHZSA-N 0 0 318.446 3.472 10 30 DGEERN N#Cc1ccc(NC(=O)CN2CC=C(c3cccs3)CC2)cc1 ZINC000117893996 431583079 /nfs/dbraw/zinc/58/30/79/431583079.db2.gz VKYJTLDWOBPIPJ-UHFFFAOYSA-N 0 0 323.421 3.348 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC(=O)Nc3ccccc32)cc1 ZINC000118618756 431609347 /nfs/dbraw/zinc/60/93/47/431609347.db2.gz QHBLLSORBLGQTO-UHFFFAOYSA-N 0 0 322.364 3.240 10 30 DGEERN Cc1cc(Cl)cnc1NC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000329630689 280508933 /nfs/dbraw/zinc/50/89/33/280508933.db2.gz QZMOMQFWTHDVQO-CYBMUJFWSA-N 0 0 323.824 3.337 10 30 DGEERN CCOC(=O)c1c(C)csc1NC(=O)c1ccc(C#N)cc1 ZINC000078239999 431649963 /nfs/dbraw/zinc/64/99/63/431649963.db2.gz ZTOPEDMXITUPMX-UHFFFAOYSA-N 0 0 314.366 3.357 10 30 DGEERN Cc1ccc(CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000078681823 431697534 /nfs/dbraw/zinc/69/75/34/431697534.db2.gz SQMHQYYCIQMJNU-UHFFFAOYSA-N 0 0 317.414 3.209 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1C ZINC000121154240 431748601 /nfs/dbraw/zinc/74/86/01/431748601.db2.gz VEEKJULONSQNNT-KRWDZBQOSA-N 0 0 322.412 3.194 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000081578202 431796095 /nfs/dbraw/zinc/79/60/95/431796095.db2.gz FHHNWWJWVIBDGR-UHFFFAOYSA-N 0 0 305.381 3.369 10 30 DGEERN N#Cc1cc2ccc(OCOCc3ccccc3)cc2oc1=O ZINC000033980991 431817214 /nfs/dbraw/zinc/81/72/14/431817214.db2.gz GTRKLODQQBLIHB-UHFFFAOYSA-N 0 0 307.305 3.218 10 30 DGEERN Clc1ccc(C#CCN2CCO[C@H](c3ccco3)C2)cc1 ZINC000121294192 431767022 /nfs/dbraw/zinc/76/70/22/431767022.db2.gz SMFZHKMUXJEHBJ-KRWDZBQOSA-N 0 0 301.773 3.358 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1OC(F)(F)F ZINC000080974734 431777929 /nfs/dbraw/zinc/77/79/29/431777929.db2.gz MQPOAJGHWYGCGF-UHFFFAOYSA-N 0 0 309.247 3.048 10 30 DGEERN Cc1cccc(OC(F)F)c1NC(=O)c1cc(C#N)cn1C ZINC000081079447 431783959 /nfs/dbraw/zinc/78/39/59/431783959.db2.gz XVBIKKLMRDJJGO-UHFFFAOYSA-N 0 0 305.284 3.059 10 30 DGEERN C=C(C)[C@@H](COC(C)=O)c1c(OC)ccc2ccc(=O)oc21 ZINC000085945710 431842623 /nfs/dbraw/zinc/84/26/23/431842623.db2.gz KJRYZFDEVYMOEY-CYBMUJFWSA-N 0 0 302.326 3.024 10 30 biogenic,in-vitro DGEERN COc1cccc(/C=N\NC(=S)Nc2ccc(C)cc2)c1O ZINC000037501383 431847660 /nfs/dbraw/zinc/84/76/60/431847660.db2.gz ABPUSTJTGLXVSA-YVLHZVERSA-N 0 0 315.398 3.030 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000123138188 431856596 /nfs/dbraw/zinc/85/65/96/431856596.db2.gz NGAOYKNGYPYYNM-SFHVURJKSA-N 0 0 304.393 3.496 10 30 DGEERN C=CCOc1ccc(CN(CCOC)Cc2ccco2)cc1 ZINC000092561434 431910062 /nfs/dbraw/zinc/91/00/62/431910062.db2.gz CQVWXNGNLZGWJM-UHFFFAOYSA-N 0 0 301.386 3.493 10 30 DGEERN CC1(C#N)CCN(C(=O)NC2CCC3(CCOCC3)CC2)CC1 ZINC000369429837 280848199 /nfs/dbraw/zinc/84/81/99/280848199.db2.gz XDPDEJGFQIBTLR-UHFFFAOYSA-N 0 0 319.449 3.061 10 30 DGEERN CC1(C#N)CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000374765451 280848741 /nfs/dbraw/zinc/84/87/41/280848741.db2.gz VFOQVYSZBBQLIL-HNNXBMFYSA-N 0 0 319.449 3.204 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000125173820 431916596 /nfs/dbraw/zinc/91/65/96/431916596.db2.gz UDBYARNTDADQPK-AWEZNQCLSA-N 0 0 321.490 3.102 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)NCCCCC#N)c1 ZINC000094074554 431918633 /nfs/dbraw/zinc/91/86/33/431918633.db2.gz YMVMPLFANLQDLJ-UHFFFAOYSA-N 0 0 302.374 3.066 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000125369421 431923415 /nfs/dbraw/zinc/92/34/15/431923415.db2.gz FLWSQGZMUWAMPE-HNNXBMFYSA-N 0 0 307.434 3.478 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000124006611 431880252 /nfs/dbraw/zinc/88/02/52/431880252.db2.gz MXFXKGPTMCBTGT-UHFFFAOYSA-N 0 0 323.824 3.472 10 30 DGEERN CC[C@H](NC(=O)NCCCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000090560152 431892964 /nfs/dbraw/zinc/89/29/64/431892964.db2.gz ISRAUGFWCJVVOJ-AWEZNQCLSA-N 0 0 304.350 3.039 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090685587 431893542 /nfs/dbraw/zinc/89/35/42/431893542.db2.gz QFMYLGMGWVQAPA-HNNXBMFYSA-N 0 0 303.362 3.430 10 30 DGEERN COC[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101339 431902836 /nfs/dbraw/zinc/90/28/36/431902836.db2.gz DPTGRYYQECXOAL-CQSZACIVSA-N 0 0 308.381 3.124 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000124799751 431904853 /nfs/dbraw/zinc/90/48/53/431904853.db2.gz OOUYNFAXZZMBJY-QGZVFWFLSA-N 0 0 322.364 3.287 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000124799994 431905295 /nfs/dbraw/zinc/90/52/95/431905295.db2.gz OOUYNFAXZZMBJY-KRWDZBQOSA-N 0 0 322.364 3.287 10 30 DGEERN N#Cc1cccc(OCCN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125472910 431927064 /nfs/dbraw/zinc/92/70/64/431927064.db2.gz MXVOOVDQPSWAMD-QGZVFWFLSA-N 0 0 314.410 3.072 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000127746736 431979991 /nfs/dbraw/zinc/97/99/91/431979991.db2.gz HBNYYWTXHOXUQG-VIFPVBQESA-N 0 0 320.270 3.382 10 30 DGEERN CCOC(=O)C(=O)CC(C#N)(c1ccccc1)c1ccccc1 ZINC000098181285 431980279 /nfs/dbraw/zinc/98/02/79/431980279.db2.gz GDZZIJCMZRXIJI-UHFFFAOYSA-N 0 0 307.349 3.019 10 30 DGEERN CCn1c2ccccc2nc1[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC000126802167 431957967 /nfs/dbraw/zinc/95/79/67/431957967.db2.gz WRXYPDZKWANBNX-INIZCTEOSA-N 0 0 318.384 3.059 10 30 DGEERN CC(C)c1nn(-c2ccccc2)cc1CNc1cnc(C#N)cn1 ZINC000127115119 431964379 /nfs/dbraw/zinc/96/43/79/431964379.db2.gz HHYTYYQGRKYGPX-UHFFFAOYSA-N 0 0 318.384 3.269 10 30 DGEERN COCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000097169153 431964475 /nfs/dbraw/zinc/96/44/75/431964475.db2.gz RWRTYSAOKRGSDG-UHFFFAOYSA-N 0 0 312.369 3.348 10 30 DGEERN C=CCOc1ccc(CNc2cccc(-n3nnnc3C)c2)cc1 ZINC000097393747 431968554 /nfs/dbraw/zinc/96/85/54/431968554.db2.gz XVGTULIZJPYBGY-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000127866511 431983288 /nfs/dbraw/zinc/98/32/88/431983288.db2.gz OEZUHSNVTQIQNP-UHFFFAOYSA-N 0 0 323.318 3.122 10 30 DGEERN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000055557382 431983369 /nfs/dbraw/zinc/98/33/69/431983369.db2.gz GLKMAMONKZYARI-HZPDHXFCSA-N 0 0 322.408 3.381 10 30 DGEERN CC[C@H]1CCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330281276 281102403 /nfs/dbraw/zinc/10/24/03/281102403.db2.gz UJPLWEKEWCQTGN-URZJAHPPSA-N 0 0 319.449 3.310 10 30 DGEERN CCOc1c(F)cccc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000173361669 432274310 /nfs/dbraw/zinc/27/43/10/432274310.db2.gz ICQJVDFBTFRNOV-UHFFFAOYSA-N 0 0 312.344 3.368 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2sccc2C#N)no1 ZINC000173592636 432289954 /nfs/dbraw/zinc/28/99/54/432289954.db2.gz CFZAJKKHCCLFRQ-LLVKDONJSA-N 0 0 316.386 3.103 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000248463746 432294231 /nfs/dbraw/zinc/29/42/31/432294231.db2.gz AVDJVOWZKGUNSU-RLCCDNCMSA-N 0 0 324.371 3.449 10 30 DGEERN C=CCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000248473946 432294688 /nfs/dbraw/zinc/29/46/88/432294688.db2.gz LKGVDZIPEDPMTO-ZNMIVQPWSA-N 0 0 307.434 3.454 10 30 DGEERN O=C(C[C@@H]1COCCN1CC#Cc1ccccc1)c1ccccc1 ZINC000192130734 432335371 /nfs/dbraw/zinc/33/53/71/432335371.db2.gz LLJYFFWPRKWBRJ-HXUWFJFHSA-N 0 0 319.404 3.012 10 30 DGEERN C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000174313034 432337286 /nfs/dbraw/zinc/33/72/86/432337286.db2.gz ZKLDHVKJUDEUOL-LBPRGKRZSA-N 0 0 314.335 3.299 10 30 DGEERN COc1cccc(F)c1[C@H](C)NC(=O)c1sccc1C#N ZINC000174476509 432350389 /nfs/dbraw/zinc/35/03/89/432350389.db2.gz LDGUMSGVGIFAJJ-VIFPVBQESA-N 0 0 304.346 3.258 10 30 DGEERN CCOc1cc(C(=O)NCCOc2ccc(C#N)cc2)ccc1C ZINC000173902724 432306181 /nfs/dbraw/zinc/30/61/81/432306181.db2.gz AYQWAUMIURIHDU-UHFFFAOYSA-N 0 0 324.380 3.074 10 30 DGEERN CCOc1c(F)cccc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000152179184 432312321 /nfs/dbraw/zinc/31/23/21/432312321.db2.gz KKQWBHTVRNVWPB-YVEFUNNKSA-N 0 0 304.365 3.427 10 30 DGEERN CC1(C)CCC[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000183655044 432313417 /nfs/dbraw/zinc/31/34/17/432313417.db2.gz VRCHFLBQJWVLGU-ZDUSSCGKSA-N 0 0 323.400 3.294 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000174008079 432314368 /nfs/dbraw/zinc/31/43/68/432314368.db2.gz ZYEXPCWFJGZSNW-NWDGAFQWSA-N 0 0 305.809 3.271 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421678 432372882 /nfs/dbraw/zinc/37/28/82/432372882.db2.gz MAHSVIYMGCILHJ-SSDOTTSWSA-N 0 0 307.152 3.191 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1OC ZINC000252734160 432387980 /nfs/dbraw/zinc/38/79/80/432387980.db2.gz HLLYLBQRORKWSS-SJORKVTESA-N 0 0 317.429 3.403 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000153281620 432398280 /nfs/dbraw/zinc/39/82/80/432398280.db2.gz HQKBHYXEUCXNBN-GXTWGEPZSA-N 0 0 307.438 3.105 10 30 DGEERN CC(C)(C)c1ccc(CCNC(=O)c2ccnc(C#N)c2)cc1 ZINC000192676188 432400237 /nfs/dbraw/zinc/40/02/37/432400237.db2.gz VMXLWSJAJJRIRL-UHFFFAOYSA-N 0 0 307.397 3.223 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCOc2ccc(C(=O)OCC)cc21 ZINC000192362010 432364953 /nfs/dbraw/zinc/36/49/53/432364953.db2.gz FNBFQCLVJFWDEK-CYBMUJFWSA-N 0 0 317.385 3.191 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1 ZINC000251498496 432369586 /nfs/dbraw/zinc/36/95/86/432369586.db2.gz DXWJRAWZJREBBP-XOYOTBSWSA-N 0 0 317.429 3.330 10 30 DGEERN N#Cc1ccc(N2C(=O)N[C@@H](c3ccc(Cl)cc3)C2=O)cc1 ZINC000192404214 432370976 /nfs/dbraw/zinc/37/09/76/432370976.db2.gz NCIHHYCRVVRXQU-AWEZNQCLSA-N 0 0 311.728 3.009 10 30 DGEERN Cc1ccc(OC[C@H](O)COc2ccc(C#N)cc2Cl)cc1 ZINC000153687219 432433715 /nfs/dbraw/zinc/43/37/15/432433715.db2.gz DLYHRXZYQDQRCU-AWEZNQCLSA-N 0 0 317.772 3.339 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(SC)ccc1C ZINC000272060190 432438860 /nfs/dbraw/zinc/43/88/60/432438860.db2.gz HUKAMMGZCYZALV-UHFFFAOYSA-N 0 0 306.431 3.080 10 30 DGEERN N#Cc1ccc(CC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000184637920 432414333 /nfs/dbraw/zinc/41/43/33/432414333.db2.gz CJRHVHKDPINJSZ-UHFFFAOYSA-N 0 0 302.377 3.175 10 30 DGEERN Cc1csc(C(=O)NC2(C#N)CCCC2)c1Br ZINC000190886658 281712766 /nfs/dbraw/zinc/71/27/66/281712766.db2.gz SSEDQWVLHXAOMC-UHFFFAOYSA-N 0 0 313.220 3.385 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)NCc2cc(C#N)ccc2F)o1 ZINC000175340170 432426721 /nfs/dbraw/zinc/42/67/21/432426721.db2.gz GYEQYQYPRDPVGI-LLVKDONJSA-N 0 0 301.321 3.159 10 30 DGEERN Cc1ccc(CCC(=O)N[C@H](C#N)C2CC2)c(Br)c1 ZINC000185352806 432494989 /nfs/dbraw/zinc/49/49/89/432494989.db2.gz MABYUWAJJHNZFL-CQSZACIVSA-N 0 0 321.218 3.109 10 30 DGEERN C[C@@H](Nc1cnc(C#N)cn1)c1cccc(OC(F)(F)F)c1 ZINC000185542794 432509760 /nfs/dbraw/zinc/50/97/60/432509760.db2.gz FNGUAMQTEWMQCN-SECBINFHSA-N 0 0 308.263 3.420 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)OCc1ccc(N2CCOCC2)cc1 ZINC000193263947 432461063 /nfs/dbraw/zinc/46/10/63/432461063.db2.gz QBHGJXSVDODMAW-OAHLLOKOSA-N 0 0 303.402 3.169 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000186048508 432555744 /nfs/dbraw/zinc/55/57/44/432555744.db2.gz XVIHAEGZMQCMOF-DGCLKSJQSA-N 0 0 304.415 3.199 10 30 DGEERN CC#CCCCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000186129465 432560021 /nfs/dbraw/zinc/56/00/21/432560021.db2.gz VKJLTMKJYKIMPP-UHFFFAOYSA-N 0 0 314.360 3.333 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nc(-c2ccncc2)cs1 ZINC000186147643 432561820 /nfs/dbraw/zinc/56/18/20/432561820.db2.gz ANKMTRLGDYFMNS-LBPRGKRZSA-N 0 0 301.415 3.424 10 30 DGEERN CCN(C(=O)[C@@H]1CCOC[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193975215 432514351 /nfs/dbraw/zinc/51/43/51/432514351.db2.gz NIEXELPPXYCBBB-GRDNDAEWSA-N 0 0 300.402 3.140 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000176494581 432527977 /nfs/dbraw/zinc/52/79/77/432527977.db2.gz HQSYEFJZTKEZJI-ZDUSSCGKSA-N 0 0 316.364 3.439 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000185797222 432533674 /nfs/dbraw/zinc/53/36/74/432533674.db2.gz IFGUOPGGPWMABP-KBPBESRZSA-N 0 0 313.401 3.440 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000185902377 432545055 /nfs/dbraw/zinc/54/50/55/432545055.db2.gz VQUWQRKSUYGDCH-NSHDSACASA-N 0 0 305.761 3.267 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000185930670 432546015 /nfs/dbraw/zinc/54/60/15/432546015.db2.gz DVHJSPURTDPEMH-AWEZNQCLSA-N 0 0 313.422 3.181 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cccc(N[C@H](C)C(C)C)c1C ZINC000185917778 432546675 /nfs/dbraw/zinc/54/66/75/432546675.db2.gz LBPKFHITZRSNHM-HUUCEWRRSA-N 0 0 304.434 3.118 10 30 DGEERN C=C[C@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000156728703 432606285 /nfs/dbraw/zinc/60/62/85/432606285.db2.gz FBIDYHSRNZNOKK-CYBMUJFWSA-N 0 0 322.364 3.316 10 30 DGEERN Cc1ccc2c(CCNC(=O)c3ccc(C#N)cc3)cn(C)c2c1 ZINC000186555251 432607342 /nfs/dbraw/zinc/60/73/42/432607342.db2.gz SVJVSYPLYHHVMG-UHFFFAOYSA-N 0 0 317.392 3.331 10 30 DGEERN COc1cc(OC(=O)[C@H]2Oc3ccccc3[C@@H]2C)ccc1C#N ZINC000195159484 432609064 /nfs/dbraw/zinc/60/90/64/432609064.db2.gz DVIMMHXZBXERFG-GTNSWQLSSA-N 0 0 309.321 3.037 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000176954867 432568746 /nfs/dbraw/zinc/56/87/46/432568746.db2.gz REJZAXAXKOOTNR-GFCCVEGCSA-N 0 0 306.793 3.380 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000273256165 432574160 /nfs/dbraw/zinc/57/41/60/432574160.db2.gz XCIOTGCZNBQMOO-KRWDZBQOSA-N 0 0 308.385 3.107 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000186325368 432583332 /nfs/dbraw/zinc/58/33/32/432583332.db2.gz MXXYXJUJTJEQDV-OAHLLOKOSA-N 0 0 306.406 3.170 10 30 DGEERN CCc1cccc(CC(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC000156672674 432604414 /nfs/dbraw/zinc/60/44/14/432604414.db2.gz CRVNUQDANYQXID-UHFFFAOYSA-N 0 0 310.401 3.253 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000273485541 432604781 /nfs/dbraw/zinc/60/47/81/432604781.db2.gz NDUKNYHYAVEZGF-INIZCTEOSA-N 0 0 305.393 3.081 10 30 DGEERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000177413171 432622594 /nfs/dbraw/zinc/62/25/94/432622594.db2.gz WVOSPJACQMDYEX-LBPRGKRZSA-N 0 0 315.804 3.253 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000189911729 281993062 /nfs/dbraw/zinc/99/30/62/281993062.db2.gz MISHDOFZIILGJY-CJNGLKHVSA-N 0 0 300.402 3.482 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCCC1(C)C ZINC000157324458 432618372 /nfs/dbraw/zinc/61/83/72/432618372.db2.gz MXBFCHXNDOCZIR-XJKSGUPXSA-N 0 0 300.402 3.411 10 30 DGEERN N#CC1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000195325899 432618763 /nfs/dbraw/zinc/61/87/63/432618763.db2.gz CYDYUVCPXKMSSB-VXGBXAGGSA-N 0 0 303.328 3.053 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)CC(=C)C ZINC000274342892 432654575 /nfs/dbraw/zinc/65/45/75/432654575.db2.gz LKFHNRXHFHNXJI-HRCADAONSA-N 0 0 308.466 3.154 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CNC(=O)[C@@H](C)CC(=C)C)C(C)C ZINC000274363511 432656979 /nfs/dbraw/zinc/65/69/79/432656979.db2.gz QABDZXUXSJZTDS-GVDBMIGSSA-N 0 0 322.493 3.448 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CNC(=O)[C@@H](C)CC(=C)C)C(C)C ZINC000274363508 432657149 /nfs/dbraw/zinc/65/71/49/432657149.db2.gz QABDZXUXSJZTDS-BBWFWOEESA-N 0 0 322.493 3.448 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187417223 432661998 /nfs/dbraw/zinc/66/19/98/432661998.db2.gz MKKXRVULPULHFG-UHFFFAOYSA-N 0 0 310.344 3.161 10 30 DGEERN Cc1ccc([C@H]2CN(Cc3cc(C#N)ccc3F)CCO2)o1 ZINC000159067260 432668249 /nfs/dbraw/zinc/66/82/49/432668249.db2.gz QKTYCDFGTGKWBD-QGZVFWFLSA-N 0 0 300.333 3.172 10 30 DGEERN C=CC[C@@H](C(=O)NCc1nnc(C2CCC2)n1C)c1ccccc1 ZINC000187959267 432694585 /nfs/dbraw/zinc/69/45/85/432694585.db2.gz NZTIDPQOCUGSRF-MRXNPFEDSA-N 0 0 324.428 3.059 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000188054427 432702658 /nfs/dbraw/zinc/70/26/58/432702658.db2.gz VCEWFONGOVVRJG-SJCJKPOMSA-N 0 0 309.381 3.240 10 30 DGEERN COc1cccc(N2CCC[C@@H](Nc3cccc(C#N)n3)C2)c1 ZINC000265463266 432703493 /nfs/dbraw/zinc/70/34/93/432703493.db2.gz ANWZBDVPIVCWAA-OAHLLOKOSA-N 0 0 308.385 3.043 10 30 DGEERN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C#N)cc1C ZINC000160404631 432718577 /nfs/dbraw/zinc/71/85/77/432718577.db2.gz WKHSFNUCYIVTKK-UHFFFAOYSA-N 0 0 322.364 3.258 10 30 DGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC000229275859 432720717 /nfs/dbraw/zinc/72/07/17/432720717.db2.gz AKEVBFYPSYDXLU-IAQYHMDHSA-N 0 0 324.833 3.165 10 30 DGEERN CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1nccs1 ZINC000177900964 432671761 /nfs/dbraw/zinc/67/17/61/432671761.db2.gz SLVIZUDGYKXLRT-LLVKDONJSA-N 0 0 304.350 3.427 10 30 DGEERN O=C(Nc1ccccn1)c1ccc(C#Cc2cccc(F)c2)cn1 ZINC000223178153 432676314 /nfs/dbraw/zinc/67/63/14/432676314.db2.gz QXLPGVSWVCSURK-UHFFFAOYSA-N 0 0 317.323 3.268 10 30 DGEERN CCOC(=O)/C(=C\c1cncc(C)c1)C(=O)c1ccc(F)cc1 ZINC000224208717 432682067 /nfs/dbraw/zinc/68/20/67/432682067.db2.gz QAMYPHQWZYMIFA-SXGWCWSVSA-N 0 0 313.328 3.359 10 30 DGEERN C=C(C)[C@H](NCc1nnc(C)n1CC)c1ccc(F)c(F)c1 ZINC000187759100 432683171 /nfs/dbraw/zinc/68/31/71/432683171.db2.gz BNTQHMPVCUFYOG-INIZCTEOSA-N 0 0 306.360 3.292 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC000274638403 432691546 /nfs/dbraw/zinc/69/15/46/432691546.db2.gz SSPGXQIBMCXRTM-IRXDYDNUSA-N 0 0 320.477 3.252 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC000274638401 432691845 /nfs/dbraw/zinc/69/18/45/432691845.db2.gz SSPGXQIBMCXRTM-CALCHBBNSA-N 0 0 320.477 3.252 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000178551086 432750365 /nfs/dbraw/zinc/75/03/65/432750365.db2.gz JDZOQVDYLJNEAX-UHFFFAOYSA-N 0 0 309.373 3.001 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000188951277 432756239 /nfs/dbraw/zinc/75/62/39/432756239.db2.gz NLOFSOPASJGATB-ROUUACIJSA-N 0 0 320.367 3.401 10 30 DGEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000189013971 432758243 /nfs/dbraw/zinc/75/82/43/432758243.db2.gz TYGROOGXYCFIFG-BBRMVZONSA-N 0 0 302.374 3.123 10 30 DGEERN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1nccs1 ZINC000161114283 432759249 /nfs/dbraw/zinc/75/92/49/432759249.db2.gz DJHJPCOTKYTZIG-DGCLKSJQSA-N 0 0 314.414 3.083 10 30 DGEERN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167394 432763003 /nfs/dbraw/zinc/76/30/03/432763003.db2.gz IPIYOTDKTMVNIL-BXUZGUMPSA-N 0 0 314.414 3.083 10 30 DGEERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000230344057 432728134 /nfs/dbraw/zinc/72/81/34/432728134.db2.gz VAOVOOIQBDVANB-QWHCGFSZSA-N 0 0 312.460 3.113 10 30 DGEERN COc1ccc(CCCNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000162446464 432823489 /nfs/dbraw/zinc/82/34/89/432823489.db2.gz HECHGBCJZNZXPL-UHFFFAOYSA-N 0 0 308.381 3.238 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000267331481 432832695 /nfs/dbraw/zinc/83/26/95/432832695.db2.gz BUHJKVIJUGDXPG-NSHDSACASA-N 0 0 308.328 3.004 10 30 DGEERN COc1ccc(CSCc2ccc(C(N)=O)cc2)cc1C#N ZINC000161619083 432789806 /nfs/dbraw/zinc/78/98/06/432789806.db2.gz WBUHLRHCEZDLIK-UHFFFAOYSA-N 0 0 312.394 3.099 10 30 DGEERN CN(c1ccccc1)c1ccccc1C(=O)N[C@H](C#N)C1CC1 ZINC000161826624 432800590 /nfs/dbraw/zinc/80/05/90/432800590.db2.gz PGWHTGSKECFPOD-QGZVFWFLSA-N 0 0 305.381 3.486 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCOC[C@@H]2C)c1 ZINC000277566096 432861522 /nfs/dbraw/zinc/86/15/22/432861522.db2.gz SGNFSAOTAYLWTN-BBRMVZONSA-N 0 0 304.390 3.188 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccnnc2C)C12CCCC2 ZINC000330167609 432895506 /nfs/dbraw/zinc/89/55/06/432895506.db2.gz ZDVGPTRHYFEEFO-GJZGRUSLSA-N 0 0 318.421 3.000 10 30 DGEERN N#Cc1c(Cl)nsc1N1CCO[C@@H](c2cccs2)C1 ZINC000268379607 432866808 /nfs/dbraw/zinc/86/68/08/432866808.db2.gz JDRQTSWMNCIQOJ-SECBINFHSA-N 0 0 311.819 3.308 10 30 DGEERN C#CCC(CC#C)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000288684363 432895634 /nfs/dbraw/zinc/89/56/34/432895634.db2.gz XAFNVOYEXGYNAO-OAHLLOKOSA-N 0 0 307.315 3.112 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCCc2ccc(F)cc21 ZINC000330000648 432887935 /nfs/dbraw/zinc/88/79/35/432887935.db2.gz WUVRGYULMYTVNC-BRWVUGGUSA-N 0 0 318.392 3.274 10 30 DGEERN Cc1ccc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cc1NC(=O)N(C)C ZINC000330039027 432890227 /nfs/dbraw/zinc/89/02/27/432890227.db2.gz BUUDTLGSTXHTMH-CFVMTHIKSA-N 0 0 317.389 3.115 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000288268288 432891061 /nfs/dbraw/zinc/89/10/61/432891061.db2.gz CGRZADQUWUDFBN-CRAIPNDOSA-N 0 0 322.408 3.387 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245547479 432843019 /nfs/dbraw/zinc/84/30/19/432843019.db2.gz FCALLUCPUZILIX-RCBQFDQVSA-N 0 0 321.852 3.349 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277389697 432844366 /nfs/dbraw/zinc/84/43/66/432844366.db2.gz AKSQPZKQHFSHBA-SNVBAGLBSA-N 0 0 312.207 3.373 10 30 DGEERN CN(CCC#N)c1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000245570059 432846573 /nfs/dbraw/zinc/84/65/73/432846573.db2.gz WRPWFSSJWKAULZ-SFHVURJKSA-N 0 0 323.444 3.487 10 30 DGEERN C#CCCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245604618 432849469 /nfs/dbraw/zinc/84/94/69/432849469.db2.gz QKUCCGVOOMYRBA-FUHWJXTLSA-N 0 0 320.383 3.020 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000330158707 432895236 /nfs/dbraw/zinc/89/52/36/432895236.db2.gz QEHAUEDNFQCLHB-VHDGCEQUSA-N 0 0 303.406 3.177 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CSc1ccc(O)cc1 ZINC000268234207 432857281 /nfs/dbraw/zinc/85/72/81/432857281.db2.gz LOYDCZPCIVFKSH-UHFFFAOYSA-N 0 0 305.321 3.061 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCCc1ncccc1C ZINC000296808694 432928105 /nfs/dbraw/zinc/92/81/05/432928105.db2.gz RHTFOGKYLQTZRY-UHFFFAOYSA-N 0 0 323.440 3.373 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000296872214 432934078 /nfs/dbraw/zinc/93/40/78/432934078.db2.gz MRMZOSXVSYKADP-SFHVURJKSA-N 0 0 305.381 3.110 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC(OC(C)(C)C)CC2)cc1 ZINC000297032608 432950535 /nfs/dbraw/zinc/95/05/35/432950535.db2.gz WTVAHUJRKFRRFP-UHFFFAOYSA-N 0 0 314.429 3.157 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(F)cc(F)c1F ZINC000296981210 432945994 /nfs/dbraw/zinc/94/59/94/432945994.db2.gz HBKNDHMICWQDLG-OTYXRUKQSA-N 0 0 314.307 3.207 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000289348509 432947189 /nfs/dbraw/zinc/94/71/89/432947189.db2.gz LFSVFYLIKFFNHR-AQNXPRMDSA-N 0 0 305.421 3.444 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000297011696 432948676 /nfs/dbraw/zinc/94/86/76/432948676.db2.gz SSQKMYKXGOEFNF-JSGCOSHPSA-N 0 0 315.348 3.042 10 30 DGEERN CC(C)(C)[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000279248927 432949474 /nfs/dbraw/zinc/94/94/74/432949474.db2.gz HSVWXPLHZGNWJU-MRXNPFEDSA-N 0 0 312.413 3.129 10 30 DGEERN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCO1 ZINC000154879260 292692252 /nfs/dbraw/zinc/69/22/52/292692252.db2.gz KCXQVRXLLMJAPE-UHFFFAOYSA-N 0 0 310.378 3.487 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)n1 ZINC000278897619 432914458 /nfs/dbraw/zinc/91/44/58/432914458.db2.gz YASQUHAWGWNUOY-LDYMZIIASA-N 0 0 301.173 3.308 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000330535320 432915743 /nfs/dbraw/zinc/91/57/43/432915743.db2.gz JFXFEBHXPONZFY-YPMHNXCESA-N 0 0 305.378 3.187 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000297649612 433002058 /nfs/dbraw/zinc/00/20/58/433002058.db2.gz DYPJZAAWZXIPBD-CABCVRRESA-N 0 0 318.417 3.004 10 30 DGEERN C=C(C)C[C@@H](C)c1nc([C@@H]2CC(=O)N(CC3CCC3)C2)no1 ZINC000290182869 433009459 /nfs/dbraw/zinc/00/94/59/433009459.db2.gz VPRZSDKVZRHKRG-TZMCWYRMSA-N 0 0 303.406 3.255 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000341328478 433029444 /nfs/dbraw/zinc/02/94/44/433029444.db2.gz FSSTYNSUBOFIAV-CZUORRHYSA-N 0 0 300.402 3.203 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000280406374 433046730 /nfs/dbraw/zinc/04/67/30/433046730.db2.gz HNKXXFRNCWYVAV-UHFFFAOYSA-N 0 0 324.808 3.148 10 30 DGEERN N#CCSc1ccccc1NC(=O)CN1CCCC12CCC2 ZINC000373106201 433090492 /nfs/dbraw/zinc/09/04/92/433090492.db2.gz GMEDLBUEOORIQF-UHFFFAOYSA-N 0 0 315.442 3.259 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1cc(-c2cccnc2)n[nH]1 ZINC000361304187 433091115 /nfs/dbraw/zinc/09/11/15/433091115.db2.gz OLKXYRXIJZFJOC-UHFFFAOYSA-N 0 0 322.343 3.235 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1cccc(C(=O)OC(C)(C)C)n1 ZINC000425266152 433138375 /nfs/dbraw/zinc/13/83/75/433138375.db2.gz ZNASIUIBNXTCDS-JSGCOSHPSA-N 0 0 304.390 3.040 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ncnc2sc3c(c21)CCC3 ZINC000425287782 433146391 /nfs/dbraw/zinc/14/63/91/433146391.db2.gz WZDYKGNBYFNLTN-JQWIXIFHSA-N 0 0 301.415 3.183 10 30 DGEERN C=CCC1(C(=O)N[C@H](CC)CNc2ccccc2)CCOCC1 ZINC000425318929 433162033 /nfs/dbraw/zinc/16/20/33/433162033.db2.gz VMFPEZLAURWGTH-MRXNPFEDSA-N 0 0 316.445 3.366 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(Cc2cccs2)CCCCC1 ZINC000290814802 433173949 /nfs/dbraw/zinc/17/39/49/433173949.db2.gz GMHFICNUZXRKEO-CQSZACIVSA-N 0 0 307.459 3.294 10 30 DGEERN C=CC[C@H]1N(c2nnc([C@@]3(C)CCCO3)n2C)CCCC1(C)C ZINC000453424612 433175582 /nfs/dbraw/zinc/17/55/82/433175582.db2.gz KMERTBKSJAZEOI-RDTXWAMCSA-N 0 0 318.465 3.412 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)c(OC)cc1C ZINC000280801023 433180283 /nfs/dbraw/zinc/18/02/83/433180283.db2.gz YKKLPOVQKYGFML-YOEHRIQHSA-N 0 0 318.417 3.415 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000453435560 433182446 /nfs/dbraw/zinc/18/24/46/433182446.db2.gz GPJLAGCBEKDCFI-OAGGEKHMSA-N 0 0 316.449 3.332 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCCCC[C@@H]1C ZINC000453435179 433182815 /nfs/dbraw/zinc/18/28/15/433182815.db2.gz GJRLNXUJQXPPFQ-GJZGRUSLSA-N 0 0 304.438 3.475 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000453435558 433184359 /nfs/dbraw/zinc/18/43/59/433184359.db2.gz GPJLAGCBEKDCFI-JYJNAYRXSA-N 0 0 316.449 3.332 10 30 DGEERN C=CCN(CC=C)c1nnc(CCC(C)C)n1C[C@H]1CCOC1 ZINC000290862698 433192608 /nfs/dbraw/zinc/19/26/08/433192608.db2.gz AKEPMLARROQJEK-MRXNPFEDSA-N 0 0 318.465 3.082 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000453461311 433198299 /nfs/dbraw/zinc/19/82/99/433198299.db2.gz GGEJCGQQDVZQPV-KKUMJFAQSA-N 0 0 302.422 3.085 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000374478979 433200293 /nfs/dbraw/zinc/20/02/93/433200293.db2.gz DZPKWOHXOJIMET-ROUUACIJSA-N 0 0 314.429 3.372 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000374478976 433200566 /nfs/dbraw/zinc/20/05/66/433200566.db2.gz DZPKWOHXOJIMET-MSOLQXFVSA-N 0 0 314.429 3.372 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453466524 433202655 /nfs/dbraw/zinc/20/26/55/433202655.db2.gz OHOLDRZKQUVCNT-CKEIUWERSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000361508044 433218064 /nfs/dbraw/zinc/21/80/64/433218064.db2.gz IGNBIJXRCYRTDO-UHFFFAOYSA-N 0 0 310.401 3.387 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291110769 433224368 /nfs/dbraw/zinc/22/43/68/433224368.db2.gz FJYHSEOGLFVVHQ-XLIONFOSSA-N 0 0 315.457 3.433 10 30 DGEERN C=C(C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000453872091 433268706 /nfs/dbraw/zinc/26/87/06/433268706.db2.gz AJHOFNPQLBRVOF-UHFFFAOYSA-N 0 0 324.808 3.148 10 30 DGEERN CC#CCCNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000361541815 433233477 /nfs/dbraw/zinc/23/34/77/433233477.db2.gz SYVQFDCNCUPRRN-AWEZNQCLSA-N 0 0 306.793 3.266 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000291416513 433237576 /nfs/dbraw/zinc/23/75/76/433237576.db2.gz FSTGNNXHPLNDNH-OAHLLOKOSA-N 0 0 319.424 3.260 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000281091112 433262164 /nfs/dbraw/zinc/26/21/64/433262164.db2.gz UNOVHKWNIPTMAA-HUUCEWRRSA-N 0 0 324.371 3.405 10 30 DGEERN C=CCC1(C(=O)Nc2ncc(CCCC)cn2)CCOCC1 ZINC000425607965 433319276 /nfs/dbraw/zinc/31/92/76/433319276.db2.gz ODXHDSHKNZTPSH-UHFFFAOYSA-N 0 0 303.406 3.131 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1cccc(Cl)c1 ZINC000425564038 433301378 /nfs/dbraw/zinc/30/13/78/433301378.db2.gz AESJLVCNEZNLQT-HOCLYGCPSA-N 0 0 322.836 3.463 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000425563285 433302943 /nfs/dbraw/zinc/30/29/43/433302943.db2.gz INXLDXVFZJQTPO-DKIMLUQUSA-N 0 0 314.429 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000425562030 433303088 /nfs/dbraw/zinc/30/30/88/433303088.db2.gz DQIBWQNRSLBRLJ-IRXDYDNUSA-N 0 0 302.418 3.036 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000425564463 433303307 /nfs/dbraw/zinc/30/33/07/433303307.db2.gz LVJGRSXXARTWGR-DZKIICNBSA-N 0 0 316.401 3.107 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000425565188 433304700 /nfs/dbraw/zinc/30/47/00/433304700.db2.gz BBSKAVRMXQFKRA-ULQDDVLXSA-N 0 0 306.450 3.332 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000425568491 433304844 /nfs/dbraw/zinc/30/48/44/433304844.db2.gz VZNGINOFEDSMGN-KSZLIROESA-N 0 0 314.429 3.167 10 30 DGEERN C=CCCCNC(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC000448011136 433348239 /nfs/dbraw/zinc/34/82/39/433348239.db2.gz OXCDKBFXBVVVGV-UHFFFAOYSA-N 0 0 320.433 3.247 10 30 DGEERN C=CCOCCCC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000361705976 433352388 /nfs/dbraw/zinc/35/23/88/433352388.db2.gz UUMRRZNRCYVCID-UHFFFAOYSA-N 0 0 300.402 3.384 10 30 DGEERN C=CCCCNC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000448072703 433358437 /nfs/dbraw/zinc/35/84/37/433358437.db2.gz VSEXULLMBPSQIH-UHFFFAOYSA-N 0 0 320.343 3.453 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCCC[C@H](CCOC)C2)c1 ZINC000375114158 433363293 /nfs/dbraw/zinc/36/32/93/433363293.db2.gz LJKSPHLMXCCKSY-MRXNPFEDSA-N 0 0 300.402 3.338 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000425926795 433373895 /nfs/dbraw/zinc/37/38/95/433373895.db2.gz JNKHUESEURZCJC-KRWDZBQOSA-N 0 0 324.428 3.431 10 30 DGEERN C=CCCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000447939654 433328967 /nfs/dbraw/zinc/32/89/67/433328967.db2.gz GFDZTYAENBGIOG-UHFFFAOYSA-N 0 0 324.229 3.247 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000425656635 433337433 /nfs/dbraw/zinc/33/74/33/433337433.db2.gz DXJWYJSTLYSBKM-NHYWBVRUSA-N 0 0 322.792 3.255 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)n1nc(C)cc1C ZINC000413991023 433339838 /nfs/dbraw/zinc/33/98/38/433339838.db2.gz UOHFTBQNQOXQTB-AEFFLSMTSA-N 0 0 311.429 3.365 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000454247460 433340016 /nfs/dbraw/zinc/34/00/16/433340016.db2.gz UIPBUWOYXNPZGU-ZDUSSCGKSA-N 0 0 318.808 3.220 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)NCc2ccc(C#N)c(F)c2)n1 ZINC000454431314 433425581 /nfs/dbraw/zinc/42/55/81/433425581.db2.gz JHPQSTICQYBIJK-SNVBAGLBSA-N 0 0 318.377 3.023 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sccc2[C@@H]1C ZINC000281803454 433386672 /nfs/dbraw/zinc/38/66/72/433386672.db2.gz MVMHCAIAGMDRHJ-XEZPLFJOSA-N 0 0 320.458 3.358 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000454468725 433437588 /nfs/dbraw/zinc/43/75/88/433437588.db2.gz VRPYFZMTRFCVBT-ZDUSSCGKSA-N 0 0 320.433 3.146 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000292072029 433447661 /nfs/dbraw/zinc/44/76/61/433447661.db2.gz OTLJTWAQVNUPQD-INIZCTEOSA-N 0 0 322.412 3.054 10 30 DGEERN N#Cc1nccnc1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000301205191 433450176 /nfs/dbraw/zinc/45/01/76/433450176.db2.gz YORQFLFASJJCFS-UHFFFAOYSA-N 0 0 321.315 3.287 10 30 DGEERN CCOc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000361949559 433466049 /nfs/dbraw/zinc/46/60/49/433466049.db2.gz LNFOWDQAZBTLLG-INIZCTEOSA-N 0 0 319.361 3.052 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)C2CCC2)cc1 ZINC000454524167 433466883 /nfs/dbraw/zinc/46/68/83/433466883.db2.gz IALVGWDNZMBNJF-UHFFFAOYSA-N 0 0 315.417 3.303 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1nn(C)cc1Cl ZINC000421218635 433464023 /nfs/dbraw/zinc/46/40/23/433464023.db2.gz MKQXAFDNJIZNTM-NSHDSACASA-N 0 0 315.870 3.120 10 30 DGEERN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448637159 433468650 /nfs/dbraw/zinc/46/86/50/433468650.db2.gz ARNRWESEDDABCI-UHFFFAOYSA-N 0 0 324.384 3.134 10 30 DGEERN CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448664861 433480770 /nfs/dbraw/zinc/48/07/70/433480770.db2.gz OGISPLLJZACMLB-CYBMUJFWSA-N 0 0 311.385 3.175 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000454620271 433517521 /nfs/dbraw/zinc/51/75/21/433517521.db2.gz UCMLRFQMHGVSRY-UHFFFAOYSA-N 0 0 300.362 3.379 10 30 DGEERN C=C(C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000454730566 433524772 /nfs/dbraw/zinc/52/47/72/433524772.db2.gz IJOTVDSTZMSPEY-CVEARBPZSA-N 0 0 321.852 3.351 10 30 DGEERN C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC ZINC000282228972 433534606 /nfs/dbraw/zinc/53/46/06/433534606.db2.gz JGXIORAHVPJLGT-LBPRGKRZSA-N 0 0 304.369 3.199 10 30 DGEERN CCc1ncc2c(n1)CN(c1c(C#N)cnc3ccccc31)CC2 ZINC000301396957 433536995 /nfs/dbraw/zinc/53/69/95/433536995.db2.gz NKXSXUXLYAEJRD-UHFFFAOYSA-N 0 0 315.380 3.022 10 30 DGEERN Cn1cc(N2CCC[C@@H](Nc3cc(Cl)ccc3C#N)C2)cn1 ZINC000301403676 433538752 /nfs/dbraw/zinc/53/87/52/433538752.db2.gz DWKSQRVVDLGFKU-CQSZACIVSA-N 0 0 315.808 3.026 10 30 DGEERN C=CCOc1cccc(NC(=O)NCc2cnc(CC)o2)c1 ZINC000454575166 433492835 /nfs/dbraw/zinc/49/28/35/433492835.db2.gz ITSNZCVOHBWJNB-UHFFFAOYSA-N 0 0 301.346 3.124 10 30 DGEERN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C#N)n2C)C2CC2)o1 ZINC000448701548 433502405 /nfs/dbraw/zinc/50/24/05/433502405.db2.gz PHMJWGCIWIKBPF-WBMJQRKESA-N 0 0 323.396 3.418 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCCc1cccc2[nH]ccc21)OCC ZINC000282144339 433510240 /nfs/dbraw/zinc/51/02/40/433510240.db2.gz NMKRBXOWNQNXKW-QGZVFWFLSA-N 0 0 300.402 3.198 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000426698981 433563555 /nfs/dbraw/zinc/56/35/55/433563555.db2.gz DIUBCMVMCWFFGM-SFHVURJKSA-N 0 0 311.381 3.037 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC[C@H]1COC)c1ccc(F)c(F)c1 ZINC000292471776 433566392 /nfs/dbraw/zinc/56/63/92/433566392.db2.gz CLYWOOGKJZHHEO-SWLSCSKDSA-N 0 0 310.344 3.012 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000426724093 433570538 /nfs/dbraw/zinc/57/05/38/433570538.db2.gz PFJAALRVCQIFPX-ZSHCYNCHSA-N 0 0 315.373 3.091 10 30 DGEERN CCS[C@H]1CC[C@@]1(O)CNc1c(C#N)cnc2ccccc21 ZINC000301493712 433579838 /nfs/dbraw/zinc/57/98/38/433579838.db2.gz RCYVRCOMYFLIHE-DOTOQJQBSA-N 0 0 313.426 3.165 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000455540821 433543650 /nfs/dbraw/zinc/54/36/50/433543650.db2.gz WQEGPRNCYFQSFS-KURKYZTESA-N 0 0 316.445 3.197 10 30 DGEERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1c(C)nn(C)c1C ZINC000301420663 433546066 /nfs/dbraw/zinc/54/60/66/433546066.db2.gz CORGQJUZSIPIAH-AWEZNQCLSA-N 0 0 313.361 3.380 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000448971288 433636736 /nfs/dbraw/zinc/63/67/36/433636736.db2.gz TXVZOGJFFXDBTP-DLBZAZTESA-N 0 0 309.450 3.023 10 30 DGEERN CCc1nnc(N(C)CCc2ccc(F)cc2)c(C#N)c1CC ZINC000301617539 433643502 /nfs/dbraw/zinc/64/35/02/433643502.db2.gz KNNSZCPNDCLJHD-UHFFFAOYSA-N 0 0 312.392 3.291 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000448903414 433608314 /nfs/dbraw/zinc/60/83/14/433608314.db2.gz HKFJGXQIGNGEQP-HZSPNIEDSA-N 0 0 313.319 3.340 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000282441285 433609546 /nfs/dbraw/zinc/60/95/46/433609546.db2.gz ZLIRCAPLGDRZSA-CQSZACIVSA-N 0 0 302.809 3.420 10 30 DGEERN CC[S@](=O)[C@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301556580 433610595 /nfs/dbraw/zinc/61/05/95/433610595.db2.gz NNCHDUCVDBCZLO-OABGYEMISA-N 0 0 312.385 3.328 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC000421536266 433616439 /nfs/dbraw/zinc/61/64/39/433616439.db2.gz NQNNJHCNHSRVNR-BBRMVZONSA-N 0 0 302.418 3.090 10 30 DGEERN C=CCCOCCCCC(=O)NC[C@H]1CC12CCSCC2 ZINC000421593751 433648325 /nfs/dbraw/zinc/64/83/25/433648325.db2.gz WTKFVUPAGDUWSI-OAHLLOKOSA-N 0 0 311.491 3.399 10 30 DGEERN C=CCC(F)(F)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000293256436 433675303 /nfs/dbraw/zinc/67/53/03/433675303.db2.gz ZQFNHYVHTBYPQX-UHFFFAOYSA-N 0 0 324.302 3.351 10 30 DGEERN C=C(Cl)CNC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000376148950 433679833 /nfs/dbraw/zinc/67/98/33/433679833.db2.gz KDWDXPVMLSHXAZ-UHFFFAOYSA-N 0 0 312.200 3.286 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000362421850 433704817 /nfs/dbraw/zinc/70/48/17/433704817.db2.gz JDKXJZGFDJSKLN-OAHLLOKOSA-N 0 0 303.427 3.216 10 30 DGEERN N#Cc1ccc(N2CCN(CC3CCCC3)C(=O)C2)cc1Cl ZINC000301817193 433741699 /nfs/dbraw/zinc/74/16/99/433741699.db2.gz KBHHTGJEGDENSM-UHFFFAOYSA-N 0 0 317.820 3.050 10 30 DGEERN C=CCCCN(C)C(=O)c1nc(C)sc1Br ZINC000362538705 433743064 /nfs/dbraw/zinc/74/30/64/433743064.db2.gz YHXLWOKAOSZXBX-UHFFFAOYSA-N 0 0 303.225 3.252 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000456600357 433745303 /nfs/dbraw/zinc/74/53/03/433745303.db2.gz BPWYYNVDIWPNRX-ZNMIVQPWSA-N 0 0 314.429 3.071 10 30 DGEERN Cc1ccc2[nH]c(CNC(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000362568154 433760713 /nfs/dbraw/zinc/76/07/13/433760713.db2.gz RLCWSMFBYDERCF-UHFFFAOYSA-N 0 0 305.341 3.065 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000456673823 433769788 /nfs/dbraw/zinc/76/97/88/433769788.db2.gz DYOUSIQUVJZDOX-CHWSQXEVSA-N 0 0 319.367 3.285 10 30 DGEERN CC1(C#N)CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000356977244 433796316 /nfs/dbraw/zinc/79/63/16/433796316.db2.gz JOOGLFUGMBEVJQ-UHFFFAOYSA-N 0 0 308.381 3.371 10 30 DGEERN N#Cc1cccc([C@H]2CN(C(=O)c3ccoc3C3CC3)CCO2)c1 ZINC000376753669 433812487 /nfs/dbraw/zinc/81/24/87/433812487.db2.gz YWZFXYOTXVEQSE-QGZVFWFLSA-N 0 0 322.364 3.242 10 30 DGEERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccc(OC)cc1 ZINC000302707343 433833992 /nfs/dbraw/zinc/83/39/92/433833992.db2.gz HFDMKLYHTDVWDB-CYBMUJFWSA-N 0 0 312.329 3.433 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000456805894 433834587 /nfs/dbraw/zinc/83/45/87/433834587.db2.gz KJVGYQYEHHQIED-INIZCTEOSA-N 0 0 301.430 3.497 10 30 DGEERN COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302721229 433835956 /nfs/dbraw/zinc/83/59/56/433835956.db2.gz LJHJHIJOEAVZKW-HNNXBMFYSA-N 0 0 324.340 3.212 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000376953546 433840901 /nfs/dbraw/zinc/84/09/01/433840901.db2.gz ONZCTLGTHJRDGS-MRXNPFEDSA-N 0 0 315.800 3.333 10 30 DGEERN C=CCN(C(=O)NCc1ncc(-c2ccccc2)cn1)C1CC1 ZINC000376948350 433840921 /nfs/dbraw/zinc/84/09/21/433840921.db2.gz LDKBXSMBDFXDDA-UHFFFAOYSA-N 0 0 308.385 3.004 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2ccc(C)cc2)CC1 ZINC000376936257 433842178 /nfs/dbraw/zinc/84/21/78/433842178.db2.gz ZKWLBRORZDLZQE-UHFFFAOYSA-N 0 0 307.437 3.439 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362747420 433848014 /nfs/dbraw/zinc/84/80/14/433848014.db2.gz YSKBVEMKQFJQGW-NOLJZWGESA-N 0 0 318.373 3.062 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362774646 433855769 /nfs/dbraw/zinc/85/57/69/433855769.db2.gz QEQOSVIQMQBUFQ-LBPRGKRZSA-N 0 0 319.430 3.249 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCSc1ccccc1 ZINC000362799298 433866573 /nfs/dbraw/zinc/86/65/73/433866573.db2.gz VPDSJPCMOPXTBL-HZPDHXFCSA-N 0 0 305.443 3.266 10 30 DGEERN Cc1cc(NCc2ccc(OC(F)F)cn2)c(C#N)c(C)n1 ZINC000302824796 433872603 /nfs/dbraw/zinc/87/26/03/433872603.db2.gz LZNBHECXIYWTQJ-UHFFFAOYSA-N 0 0 304.300 3.179 10 30 DGEERN C=C(C)CCNC(=O)N1CCc2c1cccc2Br ZINC000422203242 433899948 /nfs/dbraw/zinc/89/99/48/433899948.db2.gz GXIRJQPHTTYMIU-UHFFFAOYSA-N 0 0 309.207 3.487 10 30 DGEERN C=C(C)CCc1noc(CN2c3ccccc3SCC2=O)n1 ZINC000285237527 433922955 /nfs/dbraw/zinc/92/29/55/433922955.db2.gz VXCCZRJIMPWDTD-UHFFFAOYSA-N 0 0 315.398 3.217 10 30 DGEERN CC(=O)Nc1ccc(C)c(C(=O)N[C@](C)(C#N)CC(C)C)c1 ZINC000436315824 433937794 /nfs/dbraw/zinc/93/77/94/433937794.db2.gz QJQBWGHKSSVABW-KRWDZBQOSA-N 0 0 301.390 3.012 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC000294192079 434036066 /nfs/dbraw/zinc/03/60/66/434036066.db2.gz KLPBNMVMEBWOCK-IUODEOHRSA-N 0 0 309.793 3.060 10 30 DGEERN N#C[C@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C1CC1 ZINC000363185931 433993507 /nfs/dbraw/zinc/99/35/07/433993507.db2.gz ILKJDWULUVPJJP-SFHVURJKSA-N 0 0 320.396 3.044 10 30 DGEERN C=CCc1cc(CNc2cc3n(n2)CCCC3)cc(OC)c1O ZINC000285571750 433999098 /nfs/dbraw/zinc/99/90/98/433999098.db2.gz UIRIWHWQSCKMGU-UHFFFAOYSA-N 0 0 313.401 3.274 10 30 DGEERN C=CCN(Cc1ccc(Br)cn1)CC(F)(F)F ZINC000352743612 434048657 /nfs/dbraw/zinc/04/86/57/434048657.db2.gz WCBFZCOXFWMXMC-UHFFFAOYSA-N 0 0 309.129 3.394 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)c2ccnn2CC(F)(F)F)c1 ZINC000294498001 434116272 /nfs/dbraw/zinc/11/62/72/434116272.db2.gz GTZUNOLFXOTAFU-UHFFFAOYSA-N 0 0 321.302 3.093 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000436822193 434120720 /nfs/dbraw/zinc/12/07/20/434120720.db2.gz SGQMNCFDMMYPJF-CYBMUJFWSA-N 0 0 301.386 3.286 10 30 DGEERN N#CC1(c2ccc(C(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000294863141 434151903 /nfs/dbraw/zinc/15/19/03/434151903.db2.gz OBCNBMZXLUHSDI-PXNSSMCTSA-N 0 0 322.408 3.025 10 30 DGEERN Cc1ccnc(C2CCN(Cc3cc(F)ccc3C#N)CC2)n1 ZINC000363807739 434155265 /nfs/dbraw/zinc/15/52/65/434155265.db2.gz YWVABUWSPYHKOI-UHFFFAOYSA-N 0 0 310.376 3.175 10 30 DGEERN Cn1ccc([C@@H](NCc2cccc(C#N)c2)c2ccc(F)cc2)n1 ZINC000378396380 434169239 /nfs/dbraw/zinc/16/92/39/434169239.db2.gz NJKDQOPVKGKICP-IBGZPJMESA-N 0 0 320.371 3.310 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437269055 434240410 /nfs/dbraw/zinc/24/04/10/434240410.db2.gz SZYUOBJNNNZIQX-QKPAOTATSA-N 0 0 305.805 3.293 10 30 DGEERN C[C@@H](CO)CSc1cc(Br)c(C#N)cc1F ZINC000380469407 434265472 /nfs/dbraw/zinc/26/54/72/434265472.db2.gz FIYYRLPNZHUABH-ZETCQYMHSA-N 0 0 304.184 3.180 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000364549439 434272212 /nfs/dbraw/zinc/27/22/12/434272212.db2.gz WPACFYRVGOEENZ-GDBMZVCRSA-N 0 0 318.465 3.365 10 30 DGEERN C=CCOc1ccc(CNc2nnc(CC(C)(C)C)o2)cc1 ZINC000347871232 434275195 /nfs/dbraw/zinc/27/51/95/434275195.db2.gz GJCZSICAQOSVLA-UHFFFAOYSA-N 0 0 301.390 3.835 10 30 DGEERN C=CCC1(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)CCCC1 ZINC000457532298 434225291 /nfs/dbraw/zinc/22/52/91/434225291.db2.gz PXBJSJCFUQIYHS-UHFFFAOYSA-N 0 0 317.433 3.340 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1C(C)C)CCC2 ZINC000328649195 434291235 /nfs/dbraw/zinc/29/12/35/434291235.db2.gz IOPOROWJFXVGBR-GJZGRUSLSA-N 0 0 304.438 3.103 10 30 DGEERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328699222 434300113 /nfs/dbraw/zinc/30/01/13/434300113.db2.gz MDNNRBNWYQXURJ-QZWWFDLISA-N 0 0 318.465 3.444 10 30 DGEERN C=CCN(C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000365829081 434314070 /nfs/dbraw/zinc/31/40/70/434314070.db2.gz FECUZWMGKKTHSF-IAGOWNOFSA-N 0 0 300.402 3.267 10 30 DGEERN CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000328849441 434317885 /nfs/dbraw/zinc/31/78/85/434317885.db2.gz UETVDLVEIBGFLF-GBJTYRQASA-N 0 0 312.479 3.122 10 30 DGEERN C=C(C)COc1cc(CNc2nnc(OC)s2)ccc1OC ZINC000287527376 434382578 /nfs/dbraw/zinc/38/25/78/434382578.db2.gz BIYWVAUFUYRDFL-UHFFFAOYSA-N 0 0 321.402 3.122 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000438055794 434389508 /nfs/dbraw/zinc/38/95/08/434389508.db2.gz PJOGZPIJHPKZGG-ZWKOTPCHSA-N 0 0 316.445 3.426 10 30 DGEERN C=CCOCCNC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000366149073 434344359 /nfs/dbraw/zinc/34/43/59/434344359.db2.gz AXTYTGPGZIXGRC-LLVKDONJSA-N 0 0 314.838 3.281 10 30 DGEERN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329615603 434444517 /nfs/dbraw/zinc/44/45/17/434444517.db2.gz SFQPWTFLNGRTGE-LEOABGAYSA-N 0 0 314.433 3.227 10 30 DGEERN C=C(C)[C@H](NCc1cn(CC2CC2)nn1)c1ccc(F)c(F)c1 ZINC000450765412 434394441 /nfs/dbraw/zinc/39/44/41/434394441.db2.gz AXFFCKFTUXRURZ-KRWDZBQOSA-N 0 0 318.371 3.373 10 30 DGEERN C[C@@H](NC(=O)CC1CCCCC1)c1nc(Cn2cccn2)no1 ZINC000329335382 434395524 /nfs/dbraw/zinc/39/55/24/434395524.db2.gz LDORHYOMCNSEFN-GFCCVEGCSA-N 0 0 317.393 3.302 10 30 DGEERN C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576402 434399790 /nfs/dbraw/zinc/39/97/90/434399790.db2.gz UCYNLZQXJNWKPT-PIGZYNQJSA-N 0 0 302.324 3.221 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000457944163 434409678 /nfs/dbraw/zinc/40/96/78/434409678.db2.gz KRCMVIRLWPXFPP-ZIAGYGMSSA-N 0 0 310.463 3.462 10 30 DGEERN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc2c(c1)CC(=O)N2 ZINC000329508201 434424345 /nfs/dbraw/zinc/42/43/45/434424345.db2.gz LYWHONQVUISHCE-IYTLUNKKSA-N 0 0 300.358 3.273 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329539891 434430059 /nfs/dbraw/zinc/43/00/59/434430059.db2.gz CQQYSBIVTNPJMZ-IXYNUQLISA-N 0 0 318.465 3.231 10 30 DGEERN Cn1cc(NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c(C2CC2)n1 ZINC000329575107 434434968 /nfs/dbraw/zinc/43/49/68/434434968.db2.gz AYRJLJSEAPWQNU-OCCSQVGLSA-N 0 0 320.437 3.217 10 30 DGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329673353 434459301 /nfs/dbraw/zinc/45/93/01/434459301.db2.gz STXXAJGBGZWLMX-HIFRSBDPSA-N 0 0 317.433 3.207 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F ZINC000450892874 434464240 /nfs/dbraw/zinc/46/42/40/434464240.db2.gz QGNWCRGGJDEQGC-OAHLLOKOSA-N 0 0 321.302 3.104 10 30 DGEERN Cn1c(CNC(=O)[C@H]2CCc3ccccc32)nnc1C1CCC1 ZINC000329757164 434475357 /nfs/dbraw/zinc/47/53/57/434475357.db2.gz ZDPPMTGZZMKHDL-HNNXBMFYSA-N 0 0 310.401 3.269 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000417627407 434476797 /nfs/dbraw/zinc/47/67/97/434476797.db2.gz PFQOUPCVZGYHQM-NSHDSACASA-N 0 0 303.280 3.094 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000367882703 434559944 /nfs/dbraw/zinc/55/99/44/434559944.db2.gz FIQFLNPXCRXEFZ-UHFFFAOYSA-N 0 0 321.420 3.079 10 30 DGEERN Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC000407961178 434531196 /nfs/dbraw/zinc/53/11/96/434531196.db2.gz BNGZQUVRDKNBPT-CYBMUJFWSA-N 0 0 300.387 3.019 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](C)[C@H](O)C3)c2c1 ZINC000407983125 434534392 /nfs/dbraw/zinc/53/43/92/434534392.db2.gz BJSBKBJSUILTOH-XHDPSFHLSA-N 0 0 315.804 3.275 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000458612655 434547693 /nfs/dbraw/zinc/54/76/93/434547693.db2.gz GCQWJUXLVXUYBU-HZMVEIRTSA-N 0 0 308.466 3.456 10 30 DGEERN Cc1c(C(=O)N[C@H]2CCC[C@@H]2C#N)cnn1C1CCCCC1 ZINC000408168230 434548659 /nfs/dbraw/zinc/54/86/59/434548659.db2.gz HZBKSIMQBXTKCH-CJNGLKHVSA-N 0 0 300.406 3.119 10 30 DGEERN Cc1c(Cl)cnc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000408193765 434550634 /nfs/dbraw/zinc/55/06/34/434550634.db2.gz DVTHPCNMNZLIOB-GXTWGEPZSA-N 0 0 307.825 3.148 10 30 DGEERN N#CC1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000408350347 434566605 /nfs/dbraw/zinc/56/66/05/434566605.db2.gz POALBBBZQKZJEV-STQMWFEESA-N 0 0 317.355 3.300 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000408342856 434563814 /nfs/dbraw/zinc/56/38/14/434563814.db2.gz ZQDWDPGAXBGFBE-SDDRHHMPSA-N 0 0 303.328 3.099 10 30 DGEERN C[C@]1(F)CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000408331312 434564192 /nfs/dbraw/zinc/56/41/92/434564192.db2.gz QNVLGFJDCVOYED-SFHVURJKSA-N 0 0 312.392 3.422 10 30 DGEERN Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c(C#N)cc1N(C)C ZINC000408409140 434570718 /nfs/dbraw/zinc/57/07/18/434570718.db2.gz UFCHGHZZLGQXGP-KBPBESRZSA-N 0 0 312.417 3.197 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000368421789 434574063 /nfs/dbraw/zinc/57/40/63/434574063.db2.gz HJLIHOZHJPOTIH-HOTGVXAUSA-N 0 0 307.397 3.414 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)OCC ZINC000368562410 434576681 /nfs/dbraw/zinc/57/66/81/434576681.db2.gz PQRDFZCXPHFYLC-KZNAEPCWSA-N 0 0 317.429 3.394 10 30 DGEERN C#CCCCNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000368485271 434575034 /nfs/dbraw/zinc/57/50/34/434575034.db2.gz GKMRHIKSUPQRQA-INIZCTEOSA-N 0 0 314.433 3.088 10 30 DGEERN C#CCCCC(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000368996942 434584380 /nfs/dbraw/zinc/58/43/80/434584380.db2.gz YHEFUJRBDZXBMH-CQSZACIVSA-N 0 0 303.406 3.440 10 30 DGEERN C=CCN1CC(=O)N([C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000370452190 434613113 /nfs/dbraw/zinc/61/31/13/434613113.db2.gz GWNPZNPKCJIZEP-AWEZNQCLSA-N 0 0 321.380 3.260 10 30 DGEERN C=CCN(CCc1ccco1)c1nnc([C@H]2CCCS2)n1C ZINC000424107900 434625831 /nfs/dbraw/zinc/62/58/31/434625831.db2.gz ZJADYIQAWRUJQD-CQSZACIVSA-N 0 0 318.446 3.211 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(CC)C[C@H]1CCCO1 ZINC000424123997 434630354 /nfs/dbraw/zinc/63/03/54/434630354.db2.gz LJUSQJGUDCGINL-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCSC(C)(C)C1 ZINC000424123601 434631611 /nfs/dbraw/zinc/63/16/11/434631611.db2.gz KPGONAINEYBICM-LBPRGKRZSA-N 0 0 324.519 3.364 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1NC1CCCCC1 ZINC000410066459 434633132 /nfs/dbraw/zinc/63/31/32/434633132.db2.gz YOQOZSULYPWLQQ-OAHLLOKOSA-N 0 0 302.418 3.098 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000424136807 434634629 /nfs/dbraw/zinc/63/46/29/434634629.db2.gz KTTUKBTUGJOFAJ-BPUTZDHNSA-N 0 0 323.820 3.125 10 30 DGEERN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452535185 434639226 /nfs/dbraw/zinc/63/92/26/434639226.db2.gz WQPJHLYYDIAUNV-HBUWYVDXSA-N 0 0 322.449 3.191 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)o2)cc1)[C@H]1C[C@@H]1C ZINC000360447322 434607203 /nfs/dbraw/zinc/60/72/03/434607203.db2.gz RIEFWBLQOGEWFF-ZBEGNZNMSA-N 0 0 323.352 3.165 10 30 DGEERN Cc1cc(C)c(C#N)c(NCC[C@H]2COc3ccccc3O2)n1 ZINC000360787867 434693129 /nfs/dbraw/zinc/69/31/29/434693129.db2.gz RMDHCGFHCBGTBV-AWEZNQCLSA-N 0 0 309.369 3.212 10 30 DGEERN N#Cc1cc(F)c(NCC[C@H]2COc3ccccc3O2)c(F)c1 ZINC000360783167 434693259 /nfs/dbraw/zinc/69/32/59/434693259.db2.gz SDWGBESWHRSVRX-LBPRGKRZSA-N 0 0 316.307 3.478 10 30 DGEERN COc1cc(CCNC(=O)c2sccc2C#N)ccc1Cl ZINC000360807902 434698153 /nfs/dbraw/zinc/69/81/53/434698153.db2.gz YCSIKHZQWLEQBB-UHFFFAOYSA-N 0 0 320.801 3.254 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCSC[C@H]1C ZINC000424230494 434664435 /nfs/dbraw/zinc/66/44/35/434664435.db2.gz ACNSEAUPARCKPV-CHWSQXEVSA-N 0 0 324.519 3.364 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CCSC1 ZINC000424247178 434667402 /nfs/dbraw/zinc/66/74/02/434667402.db2.gz NAEKMNRVGKBWEL-STQMWFEESA-N 0 0 324.519 3.364 10 30 DGEERN CCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)(C)C ZINC000452661232 434670704 /nfs/dbraw/zinc/67/07/04/434670704.db2.gz JKEOLEUNXFHJNH-GFCCVEGCSA-N 0 0 321.446 3.325 10 30 DGEERN COC(=O)C[C@H]1CN(Cc2ccc(C#N)cc2)c2ccccc21 ZINC000371750194 434746498 /nfs/dbraw/zinc/74/64/98/434746498.db2.gz ARRBNBVAPLRBKK-INIZCTEOSA-N 0 0 306.365 3.225 10 30 DGEERN C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC ZINC000460206185 434747700 /nfs/dbraw/zinc/74/77/00/434747700.db2.gz ZNLOACSZZYJJOV-UHFFFAOYSA-N 0 0 320.824 3.257 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OC)c(OCC)c2)CCOCC1 ZINC000424598958 434753529 /nfs/dbraw/zinc/75/35/29/434753529.db2.gz JMXCFJQOKIWZCK-UHFFFAOYSA-N 0 0 319.401 3.405 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000371803878 434754311 /nfs/dbraw/zinc/75/43/11/434754311.db2.gz SDMXZJVLXMYTPU-CQSZACIVSA-N 0 0 316.449 3.419 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000452776972 434712299 /nfs/dbraw/zinc/71/22/99/434712299.db2.gz MBMDCVCQVWGIKL-MRXNPFEDSA-N 0 0 300.402 3.290 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000452781177 434714065 /nfs/dbraw/zinc/71/40/65/434714065.db2.gz ZPEMFNYEWGQWOU-IUODEOHRSA-N 0 0 300.402 3.223 10 30 DGEERN C=C[C@H](CC(=O)NCC1(CF)CCOCC1)c1ccccc1 ZINC000452792950 434717158 /nfs/dbraw/zinc/71/71/58/434717158.db2.gz FACHJKJUPRCIIG-OAHLLOKOSA-N 0 0 305.393 3.229 10 30 DGEERN C=CCC1(C(=O)NCCc2cccc(Cl)c2)CCOCC1 ZINC000424540328 434735070 /nfs/dbraw/zinc/73/50/70/434735070.db2.gz INZJGQDSVYOJAR-UHFFFAOYSA-N 0 0 307.821 3.372 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000424563021 434743687 /nfs/dbraw/zinc/74/36/87/434743687.db2.gz NFMVUMQDTCRMDH-LBPRGKRZSA-N 0 0 305.340 3.160 10 30 DGEERN Cc1ccnc(C2CCN(Cc3ccc(C#N)cc3F)CC2)n1 ZINC000371828273 434756514 /nfs/dbraw/zinc/75/65/14/434756514.db2.gz GFWLMYPWMISISW-UHFFFAOYSA-N 0 0 310.376 3.175 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)Cc2ccc(C)s2)CCOCC1 ZINC000424674630 434775669 /nfs/dbraw/zinc/77/56/69/434775669.db2.gz DLLSCLRUMIEYQZ-CYBMUJFWSA-N 0 0 307.459 3.477 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411489720 434788927 /nfs/dbraw/zinc/78/89/27/434788927.db2.gz KVDFSXFOFFWTDU-GFCCVEGCSA-N 0 0 308.809 3.366 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CCOCC1 ZINC000424699076 434783082 /nfs/dbraw/zinc/78/30/82/434783082.db2.gz VEGIIQUDGBPNEL-CQSZACIVSA-N 0 0 321.392 3.082 10 30 DGEERN C=CCC1(C(=O)Nc2cc(F)c(OC)cc2C)CCOCC1 ZINC000424780454 434802221 /nfs/dbraw/zinc/80/22/21/434802221.db2.gz WCCDGPKANWJJIB-UHFFFAOYSA-N 0 0 307.365 3.454 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CCCCC2(F)F)CCOCC1 ZINC000424851278 434817300 /nfs/dbraw/zinc/81/73/00/434817300.db2.gz LVBRDSJWMPIOGT-ZDUSSCGKSA-N 0 0 301.377 3.301 10 30 DGEERN C=CCC1(C(=O)N2CCC=C(c3ccncc3)C2)CCOCC1 ZINC000424856268 434818280 /nfs/dbraw/zinc/81/82/80/434818280.db2.gz USDLVLBBZMARNR-UHFFFAOYSA-N 0 0 312.413 3.070 10 30 DGEERN COC1([C@@H](C)Nc2cccc(OCCCC#N)c2)CCOCC1 ZINC000453160898 434819652 /nfs/dbraw/zinc/81/96/52/434819652.db2.gz HAEWRECSFGMKCX-OAHLLOKOSA-N 0 0 318.417 3.365 10 30 DGEERN C=CCC1(C(=O)NCCc2cc(C)ccc2F)CCOCC1 ZINC000424866448 434819699 /nfs/dbraw/zinc/81/96/99/434819699.db2.gz FKEOUNVPOLDZLQ-UHFFFAOYSA-N 0 0 305.393 3.166 10 30 DGEERN C=CCSCCNC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000411711986 434820736 /nfs/dbraw/zinc/82/07/36/434820736.db2.gz RXZSWZTUBRAGPH-INIZCTEOSA-N 0 0 305.443 3.311 10 30 DGEERN C=C(C)C(C)(C)C(=O)NCc1nc(C)c(Br)s1 ZINC000424872841 434821682 /nfs/dbraw/zinc/82/16/82/434821682.db2.gz YMPWVWCGYGIECR-UHFFFAOYSA-N 0 0 317.252 3.433 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCSc1ccccc1F ZINC000424914147 434828573 /nfs/dbraw/zinc/82/85/73/434828573.db2.gz MJIXJITUVMNVJQ-JSGCOSHPSA-N 0 0 309.406 3.015 10 30 DGEERN Cc1cccc([C@@H](Nc2ccncc2C#N)c2ccccn2)c1 ZINC000372486889 434834954 /nfs/dbraw/zinc/83/49/54/434834954.db2.gz LIHOCDXDYWZVOY-LJQANCHMSA-N 0 0 300.365 3.280 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)c1 ZINC000553036034 434877281 /nfs/dbraw/zinc/87/72/81/434877281.db2.gz YGYVDLDTYJGEMG-UHFFFAOYSA-N 0 0 322.368 3.232 10 30 DGEERN Cc1cc(C#N)nc(NCc2ccc(OC3CCCCC3)cc2)n1 ZINC000553328993 434887353 /nfs/dbraw/zinc/88/73/53/434887353.db2.gz QBSJMYJQUPYDOP-UHFFFAOYSA-N 0 0 322.412 3.980 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000573697245 434919574 /nfs/dbraw/zinc/91/95/74/434919574.db2.gz QBGCPYVZYUPOBZ-GFCCVEGCSA-N 0 0 324.371 3.005 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462101465 434901092 /nfs/dbraw/zinc/90/10/92/434901092.db2.gz YHXCZBTWVDWQDP-UHFFFAOYSA-N 0 0 313.366 3.354 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)NCCc1ccc(F)cc1 ZINC000521166945 434872612 /nfs/dbraw/zinc/87/26/12/434872612.db2.gz JSZPPJNVKRSJAM-UHFFFAOYSA-N 0 0 304.287 3.128 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC1CC1 ZINC000522888912 434935796 /nfs/dbraw/zinc/93/57/96/434935796.db2.gz AZOHZODYDKDQSV-QGZVFWFLSA-N 0 0 300.402 3.268 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000574193436 434958657 /nfs/dbraw/zinc/95/86/57/434958657.db2.gz VWSXHMGXWUWZEV-GLJUWKHASA-N 0 0 312.413 3.369 10 30 DGEERN C=CCOc1ccc(CNc2nc3cc(F)ccc3n2C)cc1 ZINC000463515893 434964076 /nfs/dbraw/zinc/96/40/76/434964076.db2.gz LCAFKZPSGTZCEM-UHFFFAOYSA-N 0 0 311.360 3.889 10 30 DGEERN C=C(C)Cn1c(CCCC)nnc1N1CCC(C)(C#N)CC1 ZINC000555244128 434966567 /nfs/dbraw/zinc/96/65/67/434966567.db2.gz AXQVGJNUUSCDAM-UHFFFAOYSA-N 0 0 301.438 3.327 10 30 DGEERN C=CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000463777709 434969070 /nfs/dbraw/zinc/96/90/70/434969070.db2.gz VIPLTQLLCORADJ-OALUTQOASA-N 0 0 312.457 3.432 10 30 DGEERN C=C[C@@H]1OCC[C@H]1Nc1nc(C)cc(OCc2ccccc2)n1 ZINC000574398334 434974372 /nfs/dbraw/zinc/97/43/72/434974372.db2.gz KWOIPVCMQGNATO-CVEARBPZSA-N 0 0 311.385 3.119 10 30 DGEERN COC(=O)c1c(Br)cc(C(F)(F)F)cc1C#N ZINC000575383827 435033560 /nfs/dbraw/zinc/03/35/60/435033560.db2.gz LZCFFABXXLOVSH-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN COC(=O)Cc1c(Br)ccc(C#N)c1C(F)(F)F ZINC000575383938 435034220 /nfs/dbraw/zinc/03/42/20/435034220.db2.gz UDWBIYNKJLYWSM-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN CCOC(=O)Cc1cc(Br)c(C#N)c(C(F)F)c1 ZINC000575341596 435030977 /nfs/dbraw/zinc/03/09/77/435030977.db2.gz FEQZWIVFGALOJK-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN O=C(c1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)F ZINC000575358358 435031679 /nfs/dbraw/zinc/03/16/79/435031679.db2.gz HZRNBHGIMLGOLZ-UHFFFAOYSA-N 0 0 318.144 3.431 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000555607598 434981068 /nfs/dbraw/zinc/98/10/68/434981068.db2.gz WJMNVGMPFKNLCC-CVEARBPZSA-N 0 0 316.449 3.071 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000555607601 434981376 /nfs/dbraw/zinc/98/13/76/434981376.db2.gz WJMNVGMPFKNLCC-JKSUJKDBSA-N 0 0 316.449 3.071 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(OC(F)F)c1C(F)(F)F ZINC000575386732 435034534 /nfs/dbraw/zinc/03/45/34/435034534.db2.gz CVFXEWLMHAGYRX-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1OC(F)F ZINC000575386893 435034605 /nfs/dbraw/zinc/03/46/05/435034605.db2.gz NUBCQHFTPMSODF-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1Br ZINC000575383715 435032963 /nfs/dbraw/zinc/03/29/63/435032963.db2.gz HWOGOPIELIPBLT-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN C=CCN(CC=C)c1nnc(-c2scnc2C)n1CC(=C)C ZINC000574691184 434996775 /nfs/dbraw/zinc/99/67/75/434996775.db2.gz RMZNGEUQWXRASU-UHFFFAOYSA-N 0 0 315.446 3.465 10 30 DGEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1Br ZINC000575383704 435033071 /nfs/dbraw/zinc/03/30/71/435033071.db2.gz GYZIKFULKXBQFK-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(CC)c(OC(F)(F)F)c1 ZINC000575388959 435034663 /nfs/dbraw/zinc/03/46/63/435034663.db2.gz NAFHFPLNVKMJJD-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN C=CCN(c1nnc(-c2scnc2C)n1CC=C)C1CC1 ZINC000575045449 435004576 /nfs/dbraw/zinc/00/45/76/435004576.db2.gz DNFQUPJABOITNU-UHFFFAOYSA-N 0 0 301.419 3.051 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000574887988 435004973 /nfs/dbraw/zinc/00/49/73/435004973.db2.gz JQUDKJAEZCCVIU-UHFFFAOYSA-N 0 0 300.402 3.072 10 30 DGEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1Cl ZINC000575383320 435033302 /nfs/dbraw/zinc/03/33/02/435033302.db2.gz PFPUWEYYQBHZCY-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000527178889 435010368 /nfs/dbraw/zinc/01/03/68/435010368.db2.gz SZITXDBHCLHJRC-WFASDCNBSA-N 0 0 320.399 3.368 10 30 DGEERN COC(=O)c1ccc(Br)c(OC(F)(F)F)c1C#N ZINC000575383381 435033372 /nfs/dbraw/zinc/03/33/72/435033372.db2.gz DFVWSQKHHOGDEV-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2cccc(OC(F)F)c2)c1 ZINC000530909382 435058902 /nfs/dbraw/zinc/05/89/02/435058902.db2.gz AINPMFNUQHGTMK-UHFFFAOYSA-N 0 0 316.307 3.019 10 30 DGEERN Cc1cc(C#N)nc(NCC(C)(C)c2ccccc2Cl)n1 ZINC000557566187 435058899 /nfs/dbraw/zinc/05/88/99/435058899.db2.gz PPBGTFHHBICFHK-UHFFFAOYSA-N 0 0 300.793 3.700 10 30 DGEERN CCN(C(=O)Cc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000530916116 435059160 /nfs/dbraw/zinc/05/91/60/435059160.db2.gz OGFHGALASCPBKZ-UHFFFAOYSA-N 0 0 300.308 3.432 10 30 DGEERN COc1ccc(CC[C@H](C)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530909558 435059203 /nfs/dbraw/zinc/05/92/03/435059203.db2.gz CIUHCOYZSMIIOP-HNNXBMFYSA-N 0 0 322.408 3.247 10 30 DGEERN CC(C)(CNC(=O)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000531154114 435075712 /nfs/dbraw/zinc/07/57/12/435075712.db2.gz DDWYFRNBNAVERP-UHFFFAOYSA-N 0 0 310.372 3.334 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000529352331 435035039 /nfs/dbraw/zinc/03/50/39/435035039.db2.gz XUJUCJMNZWTXGB-HIFRSBDPSA-N 0 0 324.218 3.041 10 30 DGEERN CCOC(=O)c1cc([N+](=O)[O-])c(SC(F)(F)F)cc1C#N ZINC000575393471 435035579 /nfs/dbraw/zinc/03/55/79/435035579.db2.gz BQLBBRXQDZQZHS-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(C=O)c1SC(F)(F)F ZINC000575391908 435035809 /nfs/dbraw/zinc/03/58/09/435035809.db2.gz ZPZCQWZQWRXVRM-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=C(CC)CNC(=O)c1ccc(Br)c(F)c1F ZINC000529467189 435036477 /nfs/dbraw/zinc/03/64/77/435036477.db2.gz NBERBQHRAJRPSF-UHFFFAOYSA-N 0 0 304.134 3.423 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529453379 435036521 /nfs/dbraw/zinc/03/65/21/435036521.db2.gz BZVLYCRJPXMRQZ-HZMVEIRTSA-N 0 0 303.377 3.169 10 30 DGEERN CCc1cc(OC(F)F)cc(I)c1C#N ZINC000575656242 435039940 /nfs/dbraw/zinc/03/99/40/435039940.db2.gz RHLOBUCRKBIOHX-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(I)cc(CC#N)c1OC(F)F ZINC000575663718 435040827 /nfs/dbraw/zinc/04/08/27/435040827.db2.gz JWJYOGRRPQVHRO-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(C#N)c(OC(F)F)cc1I ZINC000575663758 435040981 /nfs/dbraw/zinc/04/09/81/435040981.db2.gz LDQSCISPJUYUAM-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1ccc(OC(F)F)c(CC#N)c1I ZINC000575663746 435041108 /nfs/dbraw/zinc/04/11/08/435041108.db2.gz KWZZPWNTENLBQR-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN CCOc1ccc(C#N)c(I)c1CC ZINC000575670543 435041732 /nfs/dbraw/zinc/04/17/32/435041732.db2.gz KYMMJJOCQCNOMH-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#CCc1cc(F)c(C(F)F)c(I)c1 ZINC000575668578 435041941 /nfs/dbraw/zinc/04/19/41/435041941.db2.gz SHQYBTZUHNJAHT-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#CCc1cc(OC(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575667939 435042031 /nfs/dbraw/zinc/04/20/31/435042031.db2.gz PIXDRRMDCBKCGC-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#CCc1cc(OC(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575687401 435043961 /nfs/dbraw/zinc/04/39/61/435043961.db2.gz UOAWCKNEZHQSBY-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1c(Br)cc([N+](=O)[O-])cc1OC(F)F ZINC000575686269 435044204 /nfs/dbraw/zinc/04/42/04/435044204.db2.gz OPIHUGQTQHRICE-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN CCOc1c(I)ccc(CC)c1CC#N ZINC000575694415 435045520 /nfs/dbraw/zinc/04/55/20/435045520.db2.gz DZJMMJFUQXMIEC-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531391212 435090107 /nfs/dbraw/zinc/09/01/07/435090107.db2.gz XSWUWFKYPLDBFH-INIZCTEOSA-N 0 0 306.409 3.465 10 30 DGEERN Cc1ccccc1OCCCN(C)C(=O)Cc1cccc(C#N)c1 ZINC000530668289 435046162 /nfs/dbraw/zinc/04/61/62/435046162.db2.gz HJSOOVJHYDNLAF-UHFFFAOYSA-N 0 0 322.408 3.337 10 30 DGEERN Cn1ccnc1-c1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530668956 435046588 /nfs/dbraw/zinc/04/65/88/435046588.db2.gz JXYPDNMDJFUVJR-UHFFFAOYSA-N 0 0 316.364 3.140 10 30 DGEERN CCOc1c(C)ccc(I)c1CC#N ZINC000575698015 435046707 /nfs/dbraw/zinc/04/67/07/435046707.db2.gz XTCPODNMPGRUGZ-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CSc1c(I)ccc(CC#N)c1F ZINC000575706932 435048420 /nfs/dbraw/zinc/04/84/20/435048420.db2.gz BQYLYPNUDFPYCB-UHFFFAOYSA-N 0 0 307.131 3.218 10 30 DGEERN COc1cc(SC)cc(CC#N)c1I ZINC000575708450 435049207 /nfs/dbraw/zinc/04/92/07/435049207.db2.gz KSQVAPYNGWUKEP-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1F ZINC000575933225 435052938 /nfs/dbraw/zinc/05/29/38/435052938.db2.gz GVJXJDWIOXGYQH-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN Cc1ccc2c(c1)N(C(=O)Cc1cccc(C#N)c1)C[C@H](C)O2 ZINC000531392019 435090377 /nfs/dbraw/zinc/09/03/77/435090377.db2.gz NWIRIARASSXTGC-AWEZNQCLSA-N 0 0 306.365 3.223 10 30 DGEERN Cc1cc(C#N)nc(NCCc2cccc(Cl)c2Cl)n1 ZINC000578564167 435093198 /nfs/dbraw/zinc/09/31/98/435093198.db2.gz JYWGGLIGXJTXSO-UHFFFAOYSA-N 0 0 307.184 3.618 10 30 DGEERN CCOC(=O)CN(CC#Cc1cccc(Cl)c1)C1CCC1 ZINC000467180180 435111291 /nfs/dbraw/zinc/11/12/91/435111291.db2.gz DUMPUAFIYYQVRM-UHFFFAOYSA-N 0 0 305.805 3.109 10 30 DGEERN C=CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c1 ZINC000467372955 435117610 /nfs/dbraw/zinc/11/76/10/435117610.db2.gz HSVCTODTFPXBIN-CGTJXYLNSA-N 0 0 315.413 3.025 10 30 DGEERN COc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1Cl ZINC000532245537 435151847 /nfs/dbraw/zinc/15/18/47/435151847.db2.gz PEYTZIUIYSBCGL-UHFFFAOYSA-N 0 0 314.772 3.079 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000474644048 435156245 /nfs/dbraw/zinc/15/62/45/435156245.db2.gz KLEOSRVWFUIOAE-GOSISDBHSA-N 0 0 320.864 3.417 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Cl)c(C)c1 ZINC000580425469 435233330 /nfs/dbraw/zinc/23/33/30/435233330.db2.gz VMUONRXMRGTKFZ-ZFWWWQNUSA-N 0 0 308.809 3.039 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](C)CCc2ccc(OC(C)C)cc2)n1 ZINC000583386541 435242395 /nfs/dbraw/zinc/24/23/95/435242395.db2.gz AYFGEGZESHFXSJ-CQSZACIVSA-N 0 0 324.428 3.877 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(C)cc1S(C)(=O)=O ZINC000563894679 435270891 /nfs/dbraw/zinc/27/08/91/435270891.db2.gz MGYKUQKJSOYQNW-UHFFFAOYSA-N 0 0 324.446 3.266 10 30 DGEERN C=CCCCCCNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000564586448 435272591 /nfs/dbraw/zinc/27/25/91/435272591.db2.gz VFMUPHQACKAITA-ZDUSSCGKSA-N 0 0 322.371 3.078 10 30 DGEERN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000564758574 435273693 /nfs/dbraw/zinc/27/36/93/435273693.db2.gz HBASPZILARRSDA-ZFWWWQNUSA-N 0 0 310.401 3.128 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(OC)c(OC)c1 ZINC000565175338 435276837 /nfs/dbraw/zinc/27/68/37/435276837.db2.gz XLHQYSNAMDARSQ-UHFFFAOYSA-N 0 0 306.406 3.249 10 30 DGEERN C=CCCCCCN1C(=O)N[C@@H](c2ccc(OC)cc2)C1=O ZINC000565488560 435280269 /nfs/dbraw/zinc/28/02/69/435280269.db2.gz NFIYJMWGOMSUCI-HNNXBMFYSA-N 0 0 302.374 3.035 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH]c2c1cccc2C ZINC000566119585 435285389 /nfs/dbraw/zinc/28/53/89/435285389.db2.gz DJJFYHFRCFEZTJ-RDJZCZTQSA-N 0 0 312.413 3.116 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000566616936 435287831 /nfs/dbraw/zinc/28/78/31/435287831.db2.gz QQTSYIGPFXSTRT-IKICRFKJSA-N 0 0 314.429 3.200 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000567414760 435314968 /nfs/dbraw/zinc/31/49/68/435314968.db2.gz JCBOGIBUPRWQNJ-LBPRGKRZSA-N 0 0 308.372 3.262 10 30 DGEERN CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2sccc2C#N)cc1 ZINC000567435847 435317302 /nfs/dbraw/zinc/31/73/02/435317302.db2.gz WEYLNHIDAZHXFK-LSDHHAIUSA-N 0 0 312.394 3.304 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(OC(F)F)c1 ZINC000567728279 435349588 /nfs/dbraw/zinc/34/95/88/435349588.db2.gz IIYFUSHEUPEJTH-GWCFXTLKSA-N 0 0 312.316 3.001 10 30 DGEERN CC(C)=CCCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000480958945 435403532 /nfs/dbraw/zinc/40/35/32/435403532.db2.gz KFDRUEDRAMMOMM-QGZVFWFLSA-N 0 0 300.402 3.434 10 30 DGEERN C=CCCS(=O)(=O)N(CC)c1ccc(Br)cc1 ZINC000481012328 435404575 /nfs/dbraw/zinc/40/45/75/435404575.db2.gz USRMJHAZIZHFDI-UHFFFAOYSA-N 0 0 318.236 3.181 10 30 DGEERN C=CCOc1ccc(CN(C)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000536697119 435404975 /nfs/dbraw/zinc/40/49/75/435404975.db2.gz CZIBAASFTBARBC-CQSZACIVSA-N 0 0 305.418 3.413 10 30 DGEERN C=CCCCCCNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000568222806 435410067 /nfs/dbraw/zinc/41/00/67/435410067.db2.gz CTJXREYIMGLKHJ-UHFFFAOYSA-N 0 0 313.195 3.026 10 30 DGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1c(C#N)nnc2ccccc21 ZINC000480554765 435384057 /nfs/dbraw/zinc/38/40/57/435384057.db2.gz MTDSXYHWJCXLKX-ONGXEEELSA-N 0 0 306.291 3.279 10 30 DGEERN C=CC1CCN(C(=O)CC2CCC(C(=O)OCC)CC2)CC1 ZINC000568884214 435479452 /nfs/dbraw/zinc/47/94/52/435479452.db2.gz BSVOCMBLAJYDIY-UHFFFAOYSA-N 0 0 307.434 3.171 10 30 DGEERN C=CCN1CC[C@@H](Nc2c3c(ccc2Cl)CC(C)(C)O3)C1=O ZINC000538635581 435509097 /nfs/dbraw/zinc/50/90/97/435509097.db2.gz BZTOCOLVJNDQKF-CYBMUJFWSA-N 0 0 320.820 3.252 10 30 DGEERN CC#CCCNC(=O)NCc1c(C)cc(Br)cc1C ZINC000482922860 435489447 /nfs/dbraw/zinc/48/94/47/435489447.db2.gz VMSZFBYSIGUGTI-UHFFFAOYSA-N 0 0 323.234 3.279 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1sc(C)nc1C ZINC000516923486 435561931 /nfs/dbraw/zinc/56/19/31/435561931.db2.gz YOPQRLJIOPFXTQ-UBHSHLNASA-N 0 0 323.462 3.053 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC000517123609 435576976 /nfs/dbraw/zinc/57/69/76/435576976.db2.gz ULMYJZLABZYKTL-FRRDWIJNSA-N 0 0 324.519 3.362 10 30 DGEERN COc1cc2c(cc1CN1CCC(C)(C#N)CC1)O[C@H](C)C2 ZINC000540952550 435627550 /nfs/dbraw/zinc/62/75/50/435627550.db2.gz QWKRCVXDQIATJL-CYBMUJFWSA-N 0 0 300.402 3.144 10 30 DGEERN N#Cc1cnccc1NCCOCc1ccc(Cl)cc1Cl ZINC000547835436 435651129 /nfs/dbraw/zinc/65/11/29/435651129.db2.gz OGUNDQXMJXKTEI-UHFFFAOYSA-N 0 0 322.195 3.311 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)c1ccc3c(c1)COC3)CCCC2 ZINC000547864976 435654924 /nfs/dbraw/zinc/65/49/24/435654924.db2.gz VLKRRKXJCVYBQU-UHFFFAOYSA-N 0 0 319.364 3.115 10 30 DGEERN C=CCN(C)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000490459456 435658036 /nfs/dbraw/zinc/65/80/36/435658036.db2.gz HQRACFFBKWLOJB-UHFFFAOYSA-N 0 0 308.288 3.324 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 ZINC000570895300 435660437 /nfs/dbraw/zinc/66/04/37/435660437.db2.gz AFGQJVRYOWCETQ-UHFFFAOYSA-N 0 0 312.310 3.169 10 30 DGEERN CC1(C)[C@@H](Nc2ccncc2C#N)C[C@@H]1OCc1ccccc1 ZINC000548483976 435696100 /nfs/dbraw/zinc/69/61/00/435696100.db2.gz QUDQUNLHPDOYQY-ROUUACIJSA-N 0 0 307.397 3.171 10 30 DGEERN C[C@H]1COCC[C@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000194903481 300353691 /nfs/dbraw/zinc/35/36/91/300353691.db2.gz DIUWANJXXFXOQE-YOFIQYCBSA-N 0 0 306.450 3.274 10 30 DGEERN CSCc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000552366903 435897984 /nfs/dbraw/zinc/89/79/84/435897984.db2.gz IAOZKJYEYZJLRD-UHFFFAOYSA-N 0 0 310.422 3.280 10 30 DGEERN Cc1cc([C@H](C)NC(=O)c2cn(C)nc2[C@@H]2CCOC2)c(C)o1 ZINC000328626781 301413707 /nfs/dbraw/zinc/41/37/07/301413707.db2.gz MCLLYXFOLDZEKC-WCQYABFASA-N 0 0 317.389 3.200 10 30 DGEERN Cn1cccc1[C@H]1CCCCN1C(=O)NCC(C)(C)CC#N ZINC000459254364 302978704 /nfs/dbraw/zinc/97/87/04/302978704.db2.gz FLAZWVCTNGKSHV-OAHLLOKOSA-N 0 0 302.422 3.202 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CCCSC1 ZINC000329554075 303514381 /nfs/dbraw/zinc/51/43/81/303514381.db2.gz GOLFAJNLEPPUNZ-QLFBSQMISA-N 0 0 306.431 3.401 10 30 DGEERN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000171013631 312709050 /nfs/dbraw/zinc/70/90/50/312709050.db2.gz ONKJGEWZLIDQJF-LBPRGKRZSA-N 0 0 316.382 3.066 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)c1cccc(OC)c1F ZINC000179134023 312798496 /nfs/dbraw/zinc/79/84/96/312798496.db2.gz OUNXPXLJWWRFLF-UHFFFAOYSA-N 0 0 314.316 3.357 10 30 DGEERN Cn1nc(C2CCCC2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000543846305 314160864 /nfs/dbraw/zinc/16/08/64/314160864.db2.gz CEYYOWWNSPNYFH-UHFFFAOYSA-N 0 0 308.385 3.131 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3n[nH]c4ccccc43)no2)c1 ZINC000544932215 314217933 /nfs/dbraw/zinc/21/79/33/314217933.db2.gz AVPAKGCFBBJOJV-UHFFFAOYSA-N 0 0 301.309 3.075 10 30 DGEERN Cn1c(NC(=O)Cc2cccc(C#N)c2)nc2cccc(Cl)c21 ZINC000547339337 314357471 /nfs/dbraw/zinc/35/74/71/314357471.db2.gz FIXGHYMRIVFPDR-UHFFFAOYSA-N 0 0 324.771 3.280 10 30 DGEERN N#Cc1cnccc1NCCOc1cccc(Cl)c1Cl ZINC000548481566 314451494 /nfs/dbraw/zinc/45/14/94/314451494.db2.gz MRZIIBUSBFTHKA-UHFFFAOYSA-N 0 0 308.168 3.173 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000560453119 314922330 /nfs/dbraw/zinc/92/23/30/314922330.db2.gz HOEGMUCWWQIGQR-NSHDSACASA-N 0 0 322.355 3.238 10 30 DGEERN N#Cc1cnccc1Nc1cccc(OCc2ccccn2)c1 ZINC000561304973 314963752 /nfs/dbraw/zinc/96/37/52/314963752.db2.gz NTRRKRSWDYISIR-UHFFFAOYSA-N 0 0 302.337 3.093 10 30 DGEERN CC(C)(C)OC(=O)CCc1cccc(Nc2ccncc2C#N)c1 ZINC000571470985 315722974 /nfs/dbraw/zinc/72/29/74/315722974.db2.gz BCUAMBMTVXVZIH-UHFFFAOYSA-N 0 0 323.396 3.393 10 30 DGEERN COc1cccc(CSCc2ccc(OC)c(C#N)c2)n1 ZINC000180414723 323228391 /nfs/dbraw/zinc/22/83/91/323228391.db2.gz DIRBDBBXKVJHSR-UHFFFAOYSA-N 0 0 300.383 3.404 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNCc2csnn2)cc1 ZINC000181424280 323254232 /nfs/dbraw/zinc/25/42/32/323254232.db2.gz CANJZWJTYDDQPA-UHFFFAOYSA-N 0 0 306.394 3.367 10 30 DGEERN N#Cc1cccc(CC(=O)NCC(F)(F)c2ccccc2)c1 ZINC000581162775 324081866 /nfs/dbraw/zinc/08/18/66/324081866.db2.gz FLVMHHCFIOQVCN-UHFFFAOYSA-N 0 0 300.308 3.009 10 30 DGEERN N#C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000179661587 331532731 /nfs/dbraw/zinc/53/27/31/331532731.db2.gz VNYAVYPKSNXJJZ-KRWDZBQOSA-N 0 0 301.349 3.420 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)CCCC=C)C1 ZINC000298000020 331619091 /nfs/dbraw/zinc/61/90/91/331619091.db2.gz ABHBMDPPMUOSDL-CALCHBBNSA-N 0 0 320.477 3.252 10 30 DGEERN CC(C)(C)c1nnsc1C(=O)Nc1ccc(CC#N)cc1 ZINC000087445647 331669494 /nfs/dbraw/zinc/66/94/94/331669494.db2.gz RYEYYWQJRIYLMT-UHFFFAOYSA-N 0 0 300.387 3.154 10 30 DGEERN C=C(C)CN(CC)c1nnc(C(F)(F)Oc2ccccc2)n1C ZINC000558440821 331907479 /nfs/dbraw/zinc/90/74/79/331907479.db2.gz OOVBYQDGPWDTMR-UHFFFAOYSA-N 0 0 322.359 3.346 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000573263569 331955856 /nfs/dbraw/zinc/95/58/56/331955856.db2.gz BEFCPZNHPALBBA-UHFFFAOYSA-N 0 0 300.402 3.290 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000559005781 331965613 /nfs/dbraw/zinc/96/56/13/331965613.db2.gz XTDOPZJJKDPFRR-NSHDSACASA-N 0 0 302.344 3.195 10 30 DGEERN C=C(C)CN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181715818 332206606 /nfs/dbraw/zinc/20/66/06/332206606.db2.gz UCGADSYXDSZKIS-UHFFFAOYSA-N 0 0 308.230 3.331 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000292914956 335097623 /nfs/dbraw/zinc/09/76/23/335097623.db2.gz XGWGJUJPOFJDCM-CQSZACIVSA-N 0 0 308.447 3.433 10 30 DGEERN C=CCC1(CNC(=O)N2CCC(c3c[nH]cn3)CC2)CCCC1 ZINC000560560100 332359951 /nfs/dbraw/zinc/35/99/51/332359951.db2.gz LLQNAUUHHBEREQ-UHFFFAOYSA-N 0 0 316.449 3.435 10 30 DGEERN CCCOc1ccc([C@H](C)NC(=O)CC#N)cc1OCCC ZINC000119790863 332378341 /nfs/dbraw/zinc/37/83/41/332378341.db2.gz ZYIQCVVCODJJEC-ZDUSSCGKSA-N 0 0 304.390 3.355 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000425587716 335107622 /nfs/dbraw/zinc/10/76/22/335107622.db2.gz SESBLKRRVOTVFB-MKBNYLNASA-N 0 0 324.371 3.258 10 30 DGEERN C=C(C)CS(=O)(=O)N(CC)c1ccc(Br)cc1 ZINC000561411287 332448046 /nfs/dbraw/zinc/44/80/46/332448046.db2.gz KKHFLLPMFDDFBW-UHFFFAOYSA-N 0 0 318.236 3.181 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@]3(CCSC3)C2)CCCCC1 ZINC000570095853 332711567 /nfs/dbraw/zinc/71/15/67/332711567.db2.gz FVNCEVZRLNQPON-QGZVFWFLSA-N 0 0 309.475 3.248 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC000062888437 333339913 /nfs/dbraw/zinc/33/99/13/333339913.db2.gz CQUQJDPAFWRORS-UHFFFAOYSA-N 0 0 302.355 3.485 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000188426279 333366674 /nfs/dbraw/zinc/36/66/74/333366674.db2.gz OJYPBNVPXGDFQY-HNAYVOBHSA-N 0 0 316.445 3.383 10 30 DGEERN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cn2ccnc2s1 ZINC000188594821 333378129 /nfs/dbraw/zinc/37/81/29/333378129.db2.gz GMHOBLIGABNXRS-KRWDZBQOSA-N 0 0 324.409 3.041 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000185731977 335147079 /nfs/dbraw/zinc/14/70/79/335147079.db2.gz MMEMRBONSFESAO-CYBMUJFWSA-N 0 0 313.405 3.327 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)cc1 ZINC000348431567 335586644 /nfs/dbraw/zinc/58/66/44/335586644.db2.gz AMJBLAONSMHKPS-OAHLLOKOSA-N 0 0 315.413 3.283 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000583513152 335648158 /nfs/dbraw/zinc/64/81/58/335648158.db2.gz QSZILDBEYOHFAD-QZTJIDSGSA-N 0 0 317.429 3.415 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000354381848 336468759 /nfs/dbraw/zinc/46/87/59/336468759.db2.gz GBBSTMLNWPJILR-IUODEOHRSA-N 0 0 314.212 3.424 10 30 DGEERN C=CCC[C@H](NC(=O)Nc1cn(C)nc1OC)c1ccccc1 ZINC000354753171 336481213 /nfs/dbraw/zinc/48/12/13/336481213.db2.gz RURJZSRHJWQQOS-AWEZNQCLSA-N 0 0 314.389 3.258 10 30 DGEERN C=CCOCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000357343200 336581690 /nfs/dbraw/zinc/58/16/90/336581690.db2.gz ZYYQUUJRPMHWAV-UHFFFAOYSA-N 0 0 315.417 3.019 10 30 DGEERN C=CCCc1ccccc1NC(=O)CO[C@H](C)c1nccn1C ZINC000357719806 336595813 /nfs/dbraw/zinc/59/58/13/336595813.db2.gz GOYFQRIJKGEPRI-CQSZACIVSA-N 0 0 313.401 3.255 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccc(F)c(C(=O)OC)c1C)OCC ZINC000358210889 336617022 /nfs/dbraw/zinc/61/70/22/336617022.db2.gz JVFBIINYRSTSRC-AWEZNQCLSA-N 0 0 323.364 3.231 10 30 DGEERN C=CCN(CCC#N)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000359448542 336673452 /nfs/dbraw/zinc/67/34/52/336673452.db2.gz XMYDGIFPHWDQGZ-UHFFFAOYSA-N 0 0 322.368 3.156 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)N(CC#N)c2ccccc2)c1 ZINC000170948015 337085668 /nfs/dbraw/zinc/08/56/68/337085668.db2.gz JFCPNZNTBQNLOO-ZWKOTPCHSA-N 0 0 306.365 3.355 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000582474014 337095671 /nfs/dbraw/zinc/09/56/71/337095671.db2.gz AJGMYBAIFXBKOE-INIZCTEOSA-N 0 0 316.449 3.127 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCCC2(CC2)C1 ZINC000582486848 337097708 /nfs/dbraw/zinc/09/77/08/337097708.db2.gz FWBJPSBKQASGFL-UHFFFAOYSA-N 0 0 315.446 3.276 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000582795277 337168858 /nfs/dbraw/zinc/16/88/58/337168858.db2.gz YUGIZNOAPDJXBN-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000582947032 337220984 /nfs/dbraw/zinc/22/09/84/337220984.db2.gz DSKFSFWDLMENFX-OWCLPIDISA-N 0 0 320.820 3.434 10 30 DGEERN Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)s1 ZINC000190911974 337291325 /nfs/dbraw/zinc/29/13/25/337291325.db2.gz ZNYQUWVXFZAAPU-NSHDSACASA-N 0 0 308.366 3.193 10 30 DGEERN C[C@@H](O)C#Cc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000584606329 337371695 /nfs/dbraw/zinc/37/16/95/337371695.db2.gz UHTFSVNRIOEYLO-LLVKDONJSA-N 0 0 302.732 3.442 10 30 DGEERN CC(C)[C@H](C)OS(=O)(=O)c1ccc(Br)cc1 ZINC000584635596 337375330 /nfs/dbraw/zinc/37/53/30/337375330.db2.gz SKBBNURIODFOKL-VIFPVBQESA-N 0 0 307.209 3.199 10 30 DGEERN CC[C@@]1(O)C=CC(=O)[C@H](C(c2ccccc2)c2ccccc2)O1 ZINC000584625721 337375679 /nfs/dbraw/zinc/37/56/79/337375679.db2.gz ROXMWTDRWHSZJL-UXHICEINSA-N 0 0 308.377 3.441 10 30 DGEERN C=C[C@H](C)N(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O ZINC000584655707 337377820 /nfs/dbraw/zinc/37/78/20/337377820.db2.gz YRYSIAFYOTYOQU-NSHDSACASA-N 0 0 316.357 3.009 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000571819161 337578137 /nfs/dbraw/zinc/57/81/37/337578137.db2.gz QUAFFCWQHRANHR-ZBFHGGJFSA-N 0 0 312.479 3.087 10 30 DGEERN N#C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)C1CC1 ZINC000161688971 337594971 /nfs/dbraw/zinc/59/49/71/337594971.db2.gz MFDDSRDVNPXWGZ-HNNXBMFYSA-N 0 0 304.349 3.343 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000572300487 337605463 /nfs/dbraw/zinc/60/54/63/337605463.db2.gz CIDFOVLBHBDTAM-UHFFFAOYSA-N 0 0 300.402 3.393 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000515475916 337989860 /nfs/dbraw/zinc/98/98/60/337989860.db2.gz HLJOTKWGCHWVFO-JTQLQIEISA-N 0 0 312.316 3.277 10 30 DGEERN C=CCCCCNc1ccccc1C(=O)N1CCC[C@H]1CO ZINC000516540823 338014978 /nfs/dbraw/zinc/01/49/78/338014978.db2.gz ACQBVNSPPGASGN-HNNXBMFYSA-N 0 0 302.418 3.052 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC1(CO)CCCC1 ZINC000505039999 340159679 /nfs/dbraw/zinc/15/96/79/340159679.db2.gz RZATYRNLDFXRTP-UHFFFAOYSA-N 0 0 302.418 3.479 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000505045981 340159899 /nfs/dbraw/zinc/15/98/99/340159899.db2.gz NAAANAAFFMVISW-DOTOQJQBSA-N 0 0 302.418 3.430 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000505803520 340178477 /nfs/dbraw/zinc/17/84/77/340178477.db2.gz WFVYSXKGXXUNJW-GDBMZVCRSA-N 0 0 314.429 3.439 10 30 DGEERN CC[C@@](C)(C#N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000506534686 340196341 /nfs/dbraw/zinc/19/63/41/340196341.db2.gz YJZFXBDWRWPYRC-ABAIWWIYSA-N 0 0 323.234 3.436 10 30 DGEERN C=C(C)CCSCCN(Cc1ccccc1)S(C)(=O)=O ZINC000507109750 340207711 /nfs/dbraw/zinc/20/77/11/340207711.db2.gz FZCHOYMNRPRMFD-UHFFFAOYSA-N 0 0 313.488 3.148 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cc(OC)cc(OC)c1C ZINC000507696628 340228533 /nfs/dbraw/zinc/22/85/33/340228533.db2.gz FTXBKFCIGIDIGD-CQSZACIVSA-N 0 0 318.417 3.013 10 30 DGEERN C=CCOc1ccc(CNC(=O)N(C[C@@H](C)OC)C(C)C)cc1 ZINC000508430235 340243582 /nfs/dbraw/zinc/24/35/82/340243582.db2.gz AGEILEBFCDZVJS-OAHLLOKOSA-N 0 0 320.433 3.206 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000508492234 340244737 /nfs/dbraw/zinc/24/47/37/340244737.db2.gz IRQNEXDNSZWOPC-JKIFEVAISA-N 0 0 324.428 3.233 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](CC)C1 ZINC000508816992 340253716 /nfs/dbraw/zinc/25/37/16/340253716.db2.gz LQMAKFNWINBGBF-YOEHRIQHSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](CC)C1 ZINC000508833198 340253981 /nfs/dbraw/zinc/25/39/81/340253981.db2.gz OJMXNXYIHPJHHM-HNNXBMFYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N1CCO[C@@H](C)C1 ZINC000508843503 340254217 /nfs/dbraw/zinc/25/42/17/340254217.db2.gz DHINYSAMCOYEEO-HNNXBMFYSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@H](OC)C1 ZINC000508885868 340255107 /nfs/dbraw/zinc/25/51/07/340255107.db2.gz USBVFGPPNKSKJK-INIZCTEOSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000508885661 340255113 /nfs/dbraw/zinc/25/51/13/340255113.db2.gz RYWHKMRIGLEUBZ-LBPRGKRZSA-N 0 0 316.371 3.441 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(F)C1 ZINC000508888979 340255117 /nfs/dbraw/zinc/25/51/17/340255117.db2.gz QLXKXPAVBXGCAI-SFHVURJKSA-N 0 0 314.408 3.302 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC000508998313 340257668 /nfs/dbraw/zinc/25/76/68/340257668.db2.gz MSJVYKPOGNGAKL-MRXNPFEDSA-N 0 0 320.481 3.304 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000185510218 340502012 /nfs/dbraw/zinc/50/20/12/340502012.db2.gz WBCCKWIOFRNTAC-HNNXBMFYSA-N 0 0 320.477 3.276 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)OC ZINC000186296089 340510767 /nfs/dbraw/zinc/51/07/67/340510767.db2.gz AEWMZNJUCUSREB-DOTOQJQBSA-N 0 0 317.429 3.045 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000529243753 340749741 /nfs/dbraw/zinc/74/97/41/340749741.db2.gz HMURULGYWQSTOH-GXSJLCMTSA-N 0 0 319.348 3.478 10 30 DGEERN C=CC(C)(C)CCN1C(=O)N[C@H](c2ccc(OC)c(F)c2)C1=O ZINC000530197705 340782389 /nfs/dbraw/zinc/78/23/89/340782389.db2.gz SSFCONGDSRQFDC-CQSZACIVSA-N 0 0 320.364 3.030 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@](C)(O)COC ZINC000530394507 340790299 /nfs/dbraw/zinc/79/02/99/340790299.db2.gz MOWJVWHSKYPIGN-SFHVURJKSA-N 0 0 320.433 3.057 10 30 DGEERN C=CC[C@H](CO)CNC(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000539257043 340878719 /nfs/dbraw/zinc/87/87/19/340878719.db2.gz BVSZDMBRYZSWLH-VIFPVBQESA-N 0 0 318.751 3.233 10 30 DGEERN C=CCN(C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC)C1CC1 ZINC000540110217 340915392 /nfs/dbraw/zinc/91/53/92/340915392.db2.gz DVBQXRCWCBBKSS-AEFFLSMTSA-N 0 0 300.402 3.085 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1C=CCC1 ZINC000068738876 340927744 /nfs/dbraw/zinc/92/77/44/340927744.db2.gz HDOCPKAODZVDNS-AWEZNQCLSA-N 0 0 300.358 3.466 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)Cn1cnc2c1CCCC2 ZINC000542719011 341018838 /nfs/dbraw/zinc/01/88/38/341018838.db2.gz XBUCMYASMKGLGI-UHFFFAOYSA-N 0 0 315.461 3.357 10 30 DGEERN CC(C)c1ccccc1OCC(=O)N1CCC(C)(C#N)CC1 ZINC000542816105 341021817 /nfs/dbraw/zinc/02/18/17/341021817.db2.gz DOKCVEYTFHFSPZ-UHFFFAOYSA-N 0 0 300.402 3.341 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COC)o1 ZINC000130544793 341027294 /nfs/dbraw/zinc/02/72/94/341027294.db2.gz XAFPTELKXGMKJR-UHFFFAOYSA-N 0 0 310.353 3.126 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)NCCCC#N)s2)cs1 ZINC000543176329 341035195 /nfs/dbraw/zinc/03/51/95/341035195.db2.gz CAOQCAAQWWQYDL-UHFFFAOYSA-N 0 0 320.443 3.283 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000543400480 341042356 /nfs/dbraw/zinc/04/23/56/341042356.db2.gz LNHDPBDYQQVEKR-LLVKDONJSA-N 0 0 300.324 3.300 10 30 DGEERN C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000130922036 341054218 /nfs/dbraw/zinc/05/42/18/341054218.db2.gz CJADHBVBCPCLQF-XQQFMLRXSA-N 0 0 324.421 3.161 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCC[C@@H]1C ZINC000072636639 341094708 /nfs/dbraw/zinc/09/47/08/341094708.db2.gz RPYBWGMGDOCJBF-ZDUSSCGKSA-N 0 0 318.373 3.103 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2ccc3cnn(C)c3c2)no1)OCC ZINC000544958903 341101345 /nfs/dbraw/zinc/10/13/45/341101345.db2.gz WOPPYHMZPWOWCB-OAHLLOKOSA-N 0 0 312.373 3.147 10 30 DGEERN N#C[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000132561985 341127364 /nfs/dbraw/zinc/12/73/64/341127364.db2.gz ZLQSWQNTDGTDCQ-AWEZNQCLSA-N 0 0 301.777 3.103 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2cccc(-n3cccn3)c2)no1)OCC ZINC000545695498 341136776 /nfs/dbraw/zinc/13/67/76/341136776.db2.gz IGFVXFNLAAOYDU-INIZCTEOSA-N 0 0 324.384 3.446 10 30 DGEERN C=CC[C@H](CC)NS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000546060599 341153113 /nfs/dbraw/zinc/15/31/13/341153113.db2.gz DJHLOIBHCSZQOU-HNNXBMFYSA-N 0 0 314.495 3.222 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000133705688 341182452 /nfs/dbraw/zinc/18/24/52/341182452.db2.gz JABWAQBXRLQTQC-KRWDZBQOSA-N 0 0 312.413 3.067 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000547371059 341209334 /nfs/dbraw/zinc/20/93/34/341209334.db2.gz YTFPFFPDIMSNKU-RISCZKNCSA-N 0 0 307.356 3.141 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000135081743 341230609 /nfs/dbraw/zinc/23/06/09/341230609.db2.gz XJXLYQFNGRIKMV-UHFFFAOYSA-N 0 0 305.393 3.299 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC1(C#N)CC1 ZINC000547841080 341236886 /nfs/dbraw/zinc/23/68/86/341236886.db2.gz ITHIISSSRHRDIW-KFWWJZLASA-N 0 0 304.434 3.265 10 30 DGEERN C=C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000135934192 341248568 /nfs/dbraw/zinc/24/85/68/341248568.db2.gz XALPOQRHAPFBCG-KRWDZBQOSA-N 0 0 320.392 3.413 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC1CC1 ZINC000080516773 341273993 /nfs/dbraw/zinc/27/39/93/341273993.db2.gz JLCVTVISDKSCFC-UHFFFAOYSA-N 0 0 303.362 3.093 10 30 DGEERN C=CCn1c(CC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000548951426 341282129 /nfs/dbraw/zinc/28/21/29/341282129.db2.gz HBQWVIMQOPEWGI-CYBMUJFWSA-N 0 0 317.462 3.175 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@H](c2cccs2)C1 ZINC000549655246 341299947 /nfs/dbraw/zinc/29/99/47/341299947.db2.gz QGSTXQNPHSXGJX-ZDUSSCGKSA-N 0 0 318.446 3.056 10 30 DGEERN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CC1CC1 ZINC000549670196 341300230 /nfs/dbraw/zinc/30/02/30/341300230.db2.gz XRBZBKQSUPLLDT-KRWDZBQOSA-N 0 0 324.428 3.377 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)CCc1cccc(N(C)C)c1 ZINC000551647198 341347988 /nfs/dbraw/zinc/34/79/88/341347988.db2.gz UEFRWPYBQUDNSA-GOSISDBHSA-N 0 0 301.434 3.130 10 30 DGEERN CCc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1CC ZINC000091551362 341426608 /nfs/dbraw/zinc/42/66/08/341426608.db2.gz UAZVSVZHSFOYEY-GOSISDBHSA-N 0 0 301.434 3.278 10 30 DGEERN C=CCCCCNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000554058614 341441956 /nfs/dbraw/zinc/44/19/56/341441956.db2.gz NNEMFMGHZMBECI-UHFFFAOYSA-N 0 0 319.424 3.404 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1COC[C@H]1OC ZINC000564932286 341513441 /nfs/dbraw/zinc/51/34/41/341513441.db2.gz YENYXJHRNDCEFN-HZPDHXFCSA-N 0 0 318.417 3.074 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N(CCC)C[C@H]1CCCCO1 ZINC000565862260 341540460 /nfs/dbraw/zinc/54/04/60/341540460.db2.gz XTLBALIQHCRRMB-MRXNPFEDSA-N 0 0 320.481 3.448 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)C1CCOCC1 ZINC000566095788 341547515 /nfs/dbraw/zinc/54/75/15/341547515.db2.gz PKVLXNUMKUQGKH-AWEZNQCLSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000566428229 341557761 /nfs/dbraw/zinc/55/77/61/341557761.db2.gz CEOFUTGQQBFFMY-UHFFFAOYSA-N 0 0 303.406 3.256 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)C[C@H]1C ZINC000568816386 341682491 /nfs/dbraw/zinc/68/24/91/341682491.db2.gz JKIWKNFHESMQFU-UONOGXRCSA-N 0 0 300.406 3.077 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000573915390 341743045 /nfs/dbraw/zinc/74/30/45/341743045.db2.gz JZDCAIXXTPRDKC-FZMZJTMJSA-N 0 0 324.808 3.370 10 30 DGEERN C=CCCCCCNC(=O)c1cc(OC)c(OC)cc1OC ZINC000576237687 341835496 /nfs/dbraw/zinc/83/54/96/341835496.db2.gz GRXJYXUMJIKRET-UHFFFAOYSA-N 0 0 307.390 3.189 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccncc1C#N ZINC000592122754 500571924 /nfs/dbraw/zinc/57/19/24/500571924.db2.gz NPFRCKXPRWFKRK-UHFFFAOYSA-N 0 0 309.417 3.309 10 30 DGEERN C[C@H](NC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000358069134 533723146 /nfs/dbraw/zinc/72/31/46/533723146.db2.gz DOYGUEJPMYXRGZ-FZMZJTMJSA-N 0 0 311.410 3.332 10 30 DGEERN C[C@H]1CC[C@H](NS(=O)(=O)CCCCC#N)c2ccccc21 ZINC000162334882 533766064 /nfs/dbraw/zinc/76/60/64/533766064.db2.gz MBHQHKQYAVTQHS-BBRMVZONSA-N 0 0 306.431 3.238 10 30 DGEERN C[C@@H](O)c1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000180522019 533868567 /nfs/dbraw/zinc/86/85/67/533868567.db2.gz HKSVGWKZQKIVGE-CQSZACIVSA-N 0 0 320.392 3.225 10 30 DGEERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108834629 533927209 /nfs/dbraw/zinc/92/72/09/533927209.db2.gz ULKIQVXXVIYRBG-OQPBUACISA-N 0 0 313.184 3.179 10 30 DGEERN C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000183541552 534035597 /nfs/dbraw/zinc/03/55/97/534035597.db2.gz NYXWSWLWRKHLGN-LBPRGKRZSA-N 0 0 311.410 3.232 10 30 DGEERN COc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1F ZINC000188381781 534059735 /nfs/dbraw/zinc/05/97/35/534059735.db2.gz XBXSBHJWCBAFHB-UHFFFAOYSA-N 0 0 310.328 3.376 10 30 DGEERN COc1ccc(Nc2ccccc2C(=O)N[C@H](C)CC#N)cc1 ZINC000064346510 534192954 /nfs/dbraw/zinc/19/29/54/534192954.db2.gz HDYHQSSYBATSME-CYBMUJFWSA-N 0 0 309.369 3.471 10 30 DGEERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180919170 534252922 /nfs/dbraw/zinc/25/29/22/534252922.db2.gz GNVSDHJPTCYCFT-OLZOCXBDSA-N 0 0 300.427 3.208 10 30 DGEERN CCCC/N=C(\C(=O)NCCCC)c1ccccc1NC(C)=O ZINC000105271297 517551703 /nfs/dbraw/zinc/55/17/03/517551703.db2.gz IOJNXLRMWXHJPD-ZPHPHTNESA-N 0 0 317.433 3.151 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000456003325 534316420 /nfs/dbraw/zinc/31/64/20/534316420.db2.gz IQZKQOSUNXAMOD-GWCFXTLKSA-N 0 0 301.308 3.019 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000469176596 534359616 /nfs/dbraw/zinc/35/96/16/534359616.db2.gz PGJCUWSPSIIZEO-RCCFBDPRSA-N 0 0 301.430 3.495 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000469477084 534357289 /nfs/dbraw/zinc/35/72/89/534357289.db2.gz ZUNANUPXKFHGAQ-APHBMKBZSA-N 0 0 323.820 3.205 10 30 DGEERN C=C(CC)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000454887049 534414093 /nfs/dbraw/zinc/41/40/93/534414093.db2.gz HRKAWLUWQQWOQU-OLZOCXBDSA-N 0 0 310.344 3.409 10 30 DGEERN C=C(CNC(=O)c1cc(Cl)c(O)c(OC)c1)c1ccccc1 ZINC000488905992 534435784 /nfs/dbraw/zinc/43/57/84/534435784.db2.gz XNEAHJSUYOWSAU-UHFFFAOYSA-N 0 0 317.772 3.497 10 30 DGEERN Cc1nc(NC(=O)CCc2ccc(C#N)cc2)cc(C2CC2)n1 ZINC000160167976 534461696 /nfs/dbraw/zinc/46/16/96/534461696.db2.gz VPATZFJNXOQZTI-UHFFFAOYSA-N 0 0 306.369 3.105 10 30 DGEERN CC1(C)CCC(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000158797480 520292291 /nfs/dbraw/zinc/29/22/91/520292291.db2.gz FYHOHOODVCZWMB-UHFFFAOYSA-N 0 0 300.402 3.270 10 30 DGEERN C=CC(C)(C)CNC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000455374439 534510330 /nfs/dbraw/zinc/51/03/30/534510330.db2.gz XUTYIGRYLHLLRU-UHFFFAOYSA-N 0 0 303.381 3.361 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000454468722 534514150 /nfs/dbraw/zinc/51/41/50/534514150.db2.gz VRPYFZMTRFCVBT-CYBMUJFWSA-N 0 0 320.433 3.146 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H]1CCCC[C@H]1C(=O)OC)c1ccccc1 ZINC000456138060 534516392 /nfs/dbraw/zinc/51/63/92/534516392.db2.gz RLDYQQSKWICGEH-UAGQMJEPSA-N 0 0 315.413 3.194 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000458814098 534547501 /nfs/dbraw/zinc/54/75/01/534547501.db2.gz UGDBTEVUFZQNMG-CYBMUJFWSA-N 0 0 318.421 3.048 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC=C(c2ccccc2C)C1 ZINC000459052843 534566422 /nfs/dbraw/zinc/56/64/22/534566422.db2.gz ZPHXIYJJMAINQA-MSOLQXFVSA-N 0 0 312.413 3.137 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCCNc3ccccc3)cc2)CC1 ZINC000180362650 534575408 /nfs/dbraw/zinc/57/54/08/534575408.db2.gz ZEKNHCBTOOGRMF-UHFFFAOYSA-N 0 0 319.408 3.474 10 30 DGEERN N#CCCCCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000171501418 534595830 /nfs/dbraw/zinc/59/58/30/534595830.db2.gz ZYIRLFUISXZHFY-UHFFFAOYSA-N 0 0 317.776 3.077 10 30 DGEERN C=CCC1(C(=O)Nc2ncc(C(=O)OCC)n2C)CCCCC1 ZINC000451125069 534596453 /nfs/dbraw/zinc/59/64/53/534596453.db2.gz KHCQHDLRDWVALW-UHFFFAOYSA-N 0 0 319.405 3.062 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000455100669 534604112 /nfs/dbraw/zinc/60/41/12/534604112.db2.gz XUHAZINMWFHCSN-KGLIPLIRSA-N 0 0 308.765 3.008 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000452928273 534606999 /nfs/dbraw/zinc/60/69/99/534606999.db2.gz MEWYHAHAKHPXTL-AEFFLSMTSA-N 0 0 312.413 3.371 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000468988157 534618777 /nfs/dbraw/zinc/61/87/77/534618777.db2.gz LXSHXDPDGNLLAM-HNNXBMFYSA-N 0 0 317.763 3.463 10 30 DGEERN Cc1cccc(C(=O)Nc2cc(C#N)ccn2)c1Br ZINC000436008196 534623383 /nfs/dbraw/zinc/62/33/83/534623383.db2.gz DHIHPPDASCQNGL-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C=CCCCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000471670359 534679954 /nfs/dbraw/zinc/67/99/54/534679954.db2.gz GADLTZLVKRFVDC-UHFFFAOYSA-N 0 0 323.383 3.486 10 30 DGEERN C=CCCCCNC(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000458679613 534679974 /nfs/dbraw/zinc/67/99/74/534679974.db2.gz RCIWOXXGROLEGI-UHFFFAOYSA-N 0 0 321.387 3.011 10 30 DGEERN C=CCCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000471713335 534688901 /nfs/dbraw/zinc/68/89/01/534688901.db2.gz FRMFZZXSKZHOLE-UHFFFAOYSA-N 0 0 314.288 3.282 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000494181212 534690630 /nfs/dbraw/zinc/69/06/30/534690630.db2.gz ACUOVBKRVVOYSD-INIZCTEOSA-N 0 0 310.401 3.122 10 30 DGEERN C=CCCCNC(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000455828030 534728804 /nfs/dbraw/zinc/72/88/04/534728804.db2.gz OZABIBLCMAIFEX-UHFFFAOYSA-N 0 0 300.305 3.070 10 30 DGEERN N#CCc1cccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000176871903 534729436 /nfs/dbraw/zinc/72/94/36/534729436.db2.gz GPPNGDPWIRJYSA-INIZCTEOSA-N 0 0 312.394 3.028 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459279711 534839185 /nfs/dbraw/zinc/83/91/85/534839185.db2.gz NAVDNPUTQYVGMU-JKSUJKDBSA-N 0 0 317.389 3.337 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2nccn2CC(C)C)cc1 ZINC000448867333 534882047 /nfs/dbraw/zinc/88/20/47/534882047.db2.gz VPASRUSVLJSWNC-UHFFFAOYSA-N 0 0 313.401 3.285 10 30 DGEERN C=CCN(CCOC)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361092772 526285019 /nfs/dbraw/zinc/28/50/19/526285019.db2.gz OUYSGZTYFPMBBD-UHFFFAOYSA-N 0 0 315.335 3.299 10 30 DGEERN C=CCN(CCOC)C(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000361091754 526287121 /nfs/dbraw/zinc/28/71/21/526287121.db2.gz VBQFBRFUWJJSJF-MRXNPFEDSA-N 0 0 317.429 3.166 10 30 DGEERN Fc1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1 ZINC000015923821 526322753 /nfs/dbraw/zinc/32/27/53/526322753.db2.gz YZTCCYCTSVSZAJ-NVNXTCNLSA-N 0 0 304.375 3.317 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1oc(CC2CC2)nc1C ZINC000355875719 526325368 /nfs/dbraw/zinc/32/53/68/526325368.db2.gz CSKVTNBIONUKBU-UHFFFAOYSA-N 0 0 314.385 3.399 10 30 DGEERN C=CCN(Cc1ccccc1)c1nnc(CCc2ccco2)n1C ZINC000350066475 526358241 /nfs/dbraw/zinc/35/82/41/526358241.db2.gz BGSLFSOPMSRMIX-UHFFFAOYSA-N 0 0 322.412 3.386 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000420907101 526373274 /nfs/dbraw/zinc/37/32/74/526373274.db2.gz SWRQBUQYJLVSAI-KBPBESRZSA-N 0 0 308.447 3.403 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000354063941 526385180 /nfs/dbraw/zinc/38/51/80/526385180.db2.gz DHLFNLIXVQWZHF-UHFFFAOYSA-N 0 0 304.415 3.093 10 30 DGEERN C=C(C)CCSCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000350719185 526460350 /nfs/dbraw/zinc/46/03/50/526460350.db2.gz HIINMYOUBGBOSG-UHFFFAOYSA-N 0 0 307.415 3.486 10 30 DGEERN C=C(C)CN(CC)C(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000345107499 526519131 /nfs/dbraw/zinc/51/91/31/526519131.db2.gz QGLQYBVZVFYPCS-UHFFFAOYSA-N 0 0 319.401 3.091 10 30 DGEERN C=C(C)CN(CC)c1nnc(-c2ccoc2)n1C[C@@H]1CCCO1 ZINC000359515523 526551063 /nfs/dbraw/zinc/55/10/63/526551063.db2.gz YVFFAAMAPRAJFM-HNNXBMFYSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc[nH]c1C1CC1 ZINC000342379785 526558454 /nfs/dbraw/zinc/55/84/54/526558454.db2.gz RWRJJMFARBDKQQ-UHFFFAOYSA-N 0 0 314.385 3.196 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCOCC1 ZINC000342455194 526572234 /nfs/dbraw/zinc/57/22/34/526572234.db2.gz CZUAUADFTGEING-KRWDZBQOSA-N 0 0 319.449 3.185 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)c1nnc(COC)s1 ZINC000343367435 526573601 /nfs/dbraw/zinc/57/36/01/526573601.db2.gz HHUINAVGPGWOQE-UHFFFAOYSA-N 0 0 321.450 3.045 10 30 DGEERN C=C(C)CNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000157947031 526617437 /nfs/dbraw/zinc/61/74/37/526617437.db2.gz UOWXEIWYEBZPIU-NSHDSACASA-N 0 0 308.250 3.444 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC000424556881 526619163 /nfs/dbraw/zinc/61/91/63/526619163.db2.gz HRFRXSCHMPHALJ-OLZOCXBDSA-N 0 0 319.380 3.461 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000409732497 526638129 /nfs/dbraw/zinc/63/81/29/526638129.db2.gz UXMWQQXOQGBCIV-GOSISDBHSA-N 0 0 320.408 3.168 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000127865429 526644028 /nfs/dbraw/zinc/64/40/28/526644028.db2.gz PCBMNWBHCBKLGK-QGZVFWFLSA-N 0 0 314.385 3.261 10 30 DGEERN N#Cc1ccc(NCCC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000154504862 526661709 /nfs/dbraw/zinc/66/17/09/526661709.db2.gz ALDQIXYKTJABBQ-CJNGLKHVSA-N 0 0 303.362 3.210 10 30 DGEERN C=C(C)COc1cccc(N2C(=O)N[C@@H](CC=CC)C2=O)c1 ZINC000445951997 526664406 /nfs/dbraw/zinc/66/44/06/526664406.db2.gz GQCJJVLTIPHPSH-RGDDUWESSA-N 0 0 300.358 3.033 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000373033311 526669754 /nfs/dbraw/zinc/66/97/54/526669754.db2.gz FIWHZELZAXDYFD-UHFFFAOYSA-N 0 0 323.436 3.139 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000435442500 526689142 /nfs/dbraw/zinc/68/91/42/526689142.db2.gz IVZOWQMYDAOHEO-LBPRGKRZSA-N 0 0 320.241 3.476 10 30 DGEERN C#CCCCCC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000180122416 526690005 /nfs/dbraw/zinc/69/00/05/526690005.db2.gz SHRCRKDEQSJCGO-UHFFFAOYSA-N 0 0 315.398 3.346 10 30 DGEERN C=C(C)CSCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000360618960 526690523 /nfs/dbraw/zinc/69/05/23/526690523.db2.gz DSGGGQSVZJEBOD-UHFFFAOYSA-N 0 0 304.415 3.060 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000185461513 526692513 /nfs/dbraw/zinc/69/25/13/526692513.db2.gz JUBNHDCCUXVZRF-OAHLLOKOSA-N 0 0 316.445 3.339 10 30 DGEERN C#CCCCCNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000129862972 526696205 /nfs/dbraw/zinc/69/62/05/526696205.db2.gz BKPPCBQIVQSTGZ-UHFFFAOYSA-N 0 0 300.377 3.428 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000185813388 526696927 /nfs/dbraw/zinc/69/69/27/526696927.db2.gz KQTLLEPZIDHIFJ-CQSZACIVSA-N 0 0 320.408 3.085 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000185344411 526697428 /nfs/dbraw/zinc/69/74/28/526697428.db2.gz ZBIISZKJNDIQLP-OAHLLOKOSA-N 0 0 316.445 3.383 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000344904254 526698462 /nfs/dbraw/zinc/69/84/62/526698462.db2.gz RFTRDBVSOHYOAJ-KFWWJZLASA-N 0 0 308.466 3.083 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000183790940 526700386 /nfs/dbraw/zinc/70/03/86/526700386.db2.gz SXMLNUAFYRKDGP-IUODEOHRSA-N 0 0 307.365 3.067 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000343973046 526701138 /nfs/dbraw/zinc/70/11/38/526701138.db2.gz XRDLGGJDHASEKQ-GDBMZVCRSA-N 0 0 306.450 3.029 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 ZINC000185621525 526702180 /nfs/dbraw/zinc/70/21/80/526702180.db2.gz KZJHHQJNUOCFDK-GFCCVEGCSA-N 0 0 314.389 3.457 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000352067685 526702309 /nfs/dbraw/zinc/70/23/09/526702309.db2.gz FHBAXURKCYNVGX-NXEZZACHSA-N 0 0 312.211 3.019 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186808742 526702598 /nfs/dbraw/zinc/70/25/98/526702598.db2.gz DFPNCOVHBFLJEJ-DYVFJYSZSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000185104768 526705823 /nfs/dbraw/zinc/70/58/23/526705823.db2.gz GQCBEQZSNNIKRS-HNNXBMFYSA-N 0 0 314.429 3.010 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000185067876 526707051 /nfs/dbraw/zinc/70/70/51/526707051.db2.gz QRWGJSBRJCHNPM-GJZGRUSLSA-N 0 0 312.417 3.038 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000294092450 526710386 /nfs/dbraw/zinc/71/03/86/526710386.db2.gz CXJYHIAJRHFHOT-NSHDSACASA-N 0 0 300.324 3.361 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000185376234 526711703 /nfs/dbraw/zinc/71/17/03/526711703.db2.gz VJOUIPKAMXKIQX-STQMWFEESA-N 0 0 300.402 3.351 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000185378197 526711969 /nfs/dbraw/zinc/71/19/69/526711969.db2.gz WTFHVOBVJOWKGM-JKSUJKDBSA-N 0 0 316.445 3.240 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000185841612 526711975 /nfs/dbraw/zinc/71/19/75/526711975.db2.gz WXCTWHBNYNYJCG-DOTOQJQBSA-N 0 0 317.429 3.381 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000185329880 526712204 /nfs/dbraw/zinc/71/22/04/526712204.db2.gz MSBOLCONYUTUTQ-AWEZNQCLSA-N 0 0 317.433 3.435 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000185265644 526712209 /nfs/dbraw/zinc/71/22/09/526712209.db2.gz PCJKHTRVMKPSPB-LSDHHAIUSA-N 0 0 304.409 3.371 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000185837566 526712570 /nfs/dbraw/zinc/71/25/70/526712570.db2.gz ZRTFCXQBILOUDL-QWHCGFSZSA-N 0 0 307.825 3.032 10 30 DGEERN C#CCCCNC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000173329000 526713003 /nfs/dbraw/zinc/71/30/03/526713003.db2.gz AJUYSPSYYKMHGZ-CJNGLKHVSA-N 0 0 320.820 3.225 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000185301201 526714020 /nfs/dbraw/zinc/71/40/20/526714020.db2.gz XTWSZHRGAHUFMH-VIFPVBQESA-N 0 0 308.765 3.212 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCS[C@H](C)C1 ZINC000338844385 526715524 /nfs/dbraw/zinc/71/55/24/526715524.db2.gz MZMAQDRALYFXGQ-CYBMUJFWSA-N 0 0 318.446 3.364 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCS[C@@H](C)C1 ZINC000338844387 526715901 /nfs/dbraw/zinc/71/59/01/526715901.db2.gz MZMAQDRALYFXGQ-ZDUSSCGKSA-N 0 0 318.446 3.364 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1cc(C)on1 ZINC000338807970 526718238 /nfs/dbraw/zinc/71/82/38/526718238.db2.gz FHYBIQNUKLVLMT-UHFFFAOYSA-N 0 0 313.361 3.047 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CC2(CCOCC2)c2ccccc21 ZINC000358808049 526723579 /nfs/dbraw/zinc/72/35/79/526723579.db2.gz RDQICELNLLNMAL-UHFFFAOYSA-N 0 0 324.428 3.363 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000368923837 526732171 /nfs/dbraw/zinc/73/21/71/526732171.db2.gz DIQROKZZRPLXTO-LJQANCHMSA-N 0 0 315.413 3.017 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC1 ZINC000338786539 526736931 /nfs/dbraw/zinc/73/69/31/526736931.db2.gz FXNPSSRPFAWAIT-HUUCEWRRSA-N 0 0 318.465 3.373 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCSC[C@@H]1C ZINC000424230496 526740212 /nfs/dbraw/zinc/74/02/12/526740212.db2.gz ACNSEAUPARCKPV-QWHCGFSZSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159734397 526742439 /nfs/dbraw/zinc/74/24/39/526742439.db2.gz CBZAGRJXCPLBST-OAHLLOKOSA-N 0 0 313.401 3.032 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1ccc(C#N)nc1)c1ccc(F)c(F)c1 ZINC000355726436 526756594 /nfs/dbraw/zinc/75/65/94/526756594.db2.gz JSTRENZGIMMXQV-MRXNPFEDSA-N 0 0 313.307 3.279 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1cnnc(C)c1)c1ccc(F)c(F)c1 ZINC000346298424 526756674 /nfs/dbraw/zinc/75/66/74/526756674.db2.gz JGMLBDJSNKQHBR-OAHLLOKOSA-N 0 0 303.312 3.110 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccccc1SC ZINC000348807626 526760518 /nfs/dbraw/zinc/76/05/18/526760518.db2.gz HVWXAOSQRLRTGN-HOCLYGCPSA-N 0 0 305.443 3.348 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(CSCC)ccn1 ZINC000346442047 526764510 /nfs/dbraw/zinc/76/45/10/526764510.db2.gz FDLIKLYORAABQM-ZFWWWQNUSA-N 0 0 306.431 3.254 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000362802445 526764862 /nfs/dbraw/zinc/76/48/62/526764862.db2.gz SUHWUPQJCATVCB-HOTGVXAUSA-N 0 0 316.401 3.201 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(C(C)C)c1 ZINC000435604615 526783540 /nfs/dbraw/zinc/78/35/40/526783540.db2.gz PJVSHVQUHIOLKF-WBVHZDCISA-N 0 0 323.458 3.070 10 30 DGEERN N#Cc1nccn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000179868352 526793512 /nfs/dbraw/zinc/79/35/12/526793512.db2.gz URBGJQNAGDFPKC-UHFFFAOYSA-N 0 0 318.258 3.477 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCc2cc(OC)c(F)cc2C1)OCC ZINC000347015050 526810362 /nfs/dbraw/zinc/81/03/62/526810362.db2.gz VKTFFQFRFGLASW-INIZCTEOSA-N 0 0 321.392 3.090 10 30 DGEERN C=CCOCc1nc(Cc2coc(-c3ccc(F)cc3)n2)no1 ZINC000355812496 526818543 /nfs/dbraw/zinc/81/85/43/526818543.db2.gz PONFIFUBAULINN-UHFFFAOYSA-N 0 0 315.304 3.157 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000346220286 526842422 /nfs/dbraw/zinc/84/24/22/526842422.db2.gz NUQZDZTUTGSJGV-UKRRQHHQSA-N 0 0 311.328 3.250 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2nccn2CC(C)C)cc1 ZINC000131222817 526849244 /nfs/dbraw/zinc/84/92/44/526849244.db2.gz AJYSBTZSSZHFPA-UHFFFAOYSA-N 0 0 313.401 3.034 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2CCO[C@H]2C(C)(C)C)no1 ZINC000333465120 526849283 /nfs/dbraw/zinc/84/92/83/526849283.db2.gz HGEKWHOPXQAKOW-AAVRWANBSA-N 0 0 306.406 3.437 10 30 DGEERN C=C(CC)CNC(=O)N1CCc2c1cccc2Br ZINC000422212406 526857110 /nfs/dbraw/zinc/85/71/10/526857110.db2.gz QLQOVCDZEBDYAN-UHFFFAOYSA-N 0 0 309.207 3.487 10 30 DGEERN C=C(CC)CSCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000447036111 526861422 /nfs/dbraw/zinc/86/14/22/526861422.db2.gz DBFLJHVLDXASIY-UHFFFAOYSA-N 0 0 315.442 3.188 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H](C)c2ncccc2F)cc1 ZINC000359092211 526881888 /nfs/dbraw/zinc/88/18/88/526881888.db2.gz FLZASLRMEUAUOZ-CYBMUJFWSA-N 0 0 314.360 3.205 10 30 DGEERN C=CCOc1cccc(C[NH2+][C@H](CC2CCCC2)C(=O)[O-])c1 ZINC000426762076 526904976 /nfs/dbraw/zinc/90/49/76/526904976.db2.gz HBDPGMZTGLBVDP-QGZVFWFLSA-N 0 0 303.402 3.375 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1ncc(C(C)=O)s1 ZINC000118631856 526930336 /nfs/dbraw/zinc/93/03/36/526930336.db2.gz WTANKGFCBTXVSV-UHFFFAOYSA-N 0 0 302.355 3.163 10 30 DGEERN C=CCOc1ccccc1CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000355151532 526932957 /nfs/dbraw/zinc/93/29/57/526932957.db2.gz RNAIGNVQRFXWKQ-JENIJYKNSA-N 0 0 317.429 3.020 10 30 DGEERN C=CCOc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000355151533 526933799 /nfs/dbraw/zinc/93/37/99/526933799.db2.gz RNAIGNVQRFXWKQ-ZIFCJYIRSA-N 0 0 317.429 3.020 10 30 DGEERN C=CCOc1ccccc1CNCc1ncnn1-c1ccccc1 ZINC000355218217 526950493 /nfs/dbraw/zinc/95/04/93/526950493.db2.gz KUSJHRXDEMCQDU-UHFFFAOYSA-N 0 0 320.396 3.122 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](CC)c2c(C)nn(C)c2C)CC1 ZINC000330989141 526958833 /nfs/dbraw/zinc/95/88/33/526958833.db2.gz RTPUDIXOQBOALW-OAHLLOKOSA-N 0 0 304.438 3.300 10 30 DGEERN C=CC1CCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)CC1 ZINC000345015415 526974210 /nfs/dbraw/zinc/97/42/10/526974210.db2.gz HYNYHHIFBIGECJ-UHFFFAOYSA-N 0 0 314.385 3.223 10 30 DGEERN C=CC1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000151974444 526975469 /nfs/dbraw/zinc/97/54/69/526975469.db2.gz AZODMJQTZFDHGT-UHFFFAOYSA-N 0 0 314.307 3.061 10 30 DGEERN C=CCSCCNC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000356508628 527002179 /nfs/dbraw/zinc/00/21/79/527002179.db2.gz FLYLBGYVSGCPNV-INIZCTEOSA-N 0 0 305.443 3.230 10 30 DGEERN C=CCSCCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346654636 527006314 /nfs/dbraw/zinc/00/63/14/527006314.db2.gz UASAMZZLGHSLHB-MRXNPFEDSA-N 0 0 303.406 3.214 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000432095136 527008159 /nfs/dbraw/zinc/00/81/59/527008159.db2.gz WLGBFDSJBAGYFL-AWEZNQCLSA-N 0 0 306.454 3.390 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000352487748 527017146 /nfs/dbraw/zinc/01/71/46/527017146.db2.gz IQIBGKFTBUKWIJ-UHFFFAOYSA-N 0 0 315.373 3.077 10 30 DGEERN C=CC[C@@H](C)NC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000176865987 527022255 /nfs/dbraw/zinc/02/22/55/527022255.db2.gz KLUOAQWDUALMJL-NEPJUHHUSA-N 0 0 311.451 3.347 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000356654212 527031096 /nfs/dbraw/zinc/03/10/96/527031096.db2.gz QCUJLLUKXQYBPD-SNVBAGLBSA-N 0 0 324.222 3.185 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1cccc2c1[nH]c1ccccc1c2=O ZINC000445018181 527031749 /nfs/dbraw/zinc/03/17/49/527031749.db2.gz IDQLPDACMWRNKP-GFCCVEGCSA-N 0 0 306.365 3.376 10 30 DGEERN C=CC[C@@H](CC)N1C(=O)[C@@H](Cc2ccccc2)N(C2CC2)C1=O ZINC000285835973 527034872 /nfs/dbraw/zinc/03/48/72/527034872.db2.gz BKMIGNHWFFWMKU-NVXWUHKLSA-N 0 0 312.413 3.379 10 30 DGEERN C=CCC1(C(=O)N(C)C2CC(OC(C)(C)C)C2)CCOCC1 ZINC000424895181 527039104 /nfs/dbraw/zinc/03/91/04/527039104.db2.gz RPYGDDHGMUIWSH-UHFFFAOYSA-N 0 0 309.450 3.164 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000334004301 527053568 /nfs/dbraw/zinc/05/35/68/527053568.db2.gz REYRCCGZAVTPDF-QWHCGFSZSA-N 0 0 308.447 3.430 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CCOCC1 ZINC000424622030 527059217 /nfs/dbraw/zinc/05/92/17/527059217.db2.gz XLYWGPMERBWSLW-HOTGVXAUSA-N 0 0 303.377 3.171 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CCOCC1 ZINC000424601156 527060664 /nfs/dbraw/zinc/06/06/64/527060664.db2.gz XWAZAIZQZKMRGN-UHFFFAOYSA-N 0 0 316.401 3.265 10 30 DGEERN C=CCC1(C(=O)Nc2cnn(CCCC)c2C)CCOCC1 ZINC000424734251 527061660 /nfs/dbraw/zinc/06/16/60/527061660.db2.gz JNCDVFNVYAFLMT-UHFFFAOYSA-N 0 0 305.422 3.303 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000185944862 527085133 /nfs/dbraw/zinc/08/51/33/527085133.db2.gz MQMFFRHXDYUKMY-AWEZNQCLSA-N 0 0 305.443 3.145 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1OCCC ZINC000184194545 527094385 /nfs/dbraw/zinc/09/43/85/527094385.db2.gz IGQIQCSQOKBIAK-LBPRGKRZSA-N 0 0 312.797 3.187 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000185284381 527095105 /nfs/dbraw/zinc/09/51/05/527095105.db2.gz NIQBUPYWELWBLJ-LBPRGKRZSA-N 0 0 317.389 3.184 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000185252934 527095502 /nfs/dbraw/zinc/09/55/02/527095502.db2.gz IBIKWSNCIXFXMZ-VIFPVBQESA-N 0 0 322.714 3.417 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000349654468 527095601 /nfs/dbraw/zinc/09/56/01/527095601.db2.gz JKLUUQJAGUECRG-ZDUSSCGKSA-N 0 0 319.792 3.189 10 30 DGEERN C#CCOc1ccc(CNc2cccc3c2OCC[C@H]3O)cc1 ZINC000184066413 527106790 /nfs/dbraw/zinc/10/67/90/527106790.db2.gz VMUDSHXODWGKCQ-GOSISDBHSA-N 0 0 309.365 3.127 10 30 DGEERN C#CCOc1ccc(CN[C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000153827355 527106877 /nfs/dbraw/zinc/10/68/77/527106877.db2.gz UPOQRTIJGWKLOH-KRWDZBQOSA-N 0 0 324.428 3.038 10 30 DGEERN C=CCCCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000175513835 527107342 /nfs/dbraw/zinc/10/73/42/527107342.db2.gz UERSXYJBGCYCHG-UHFFFAOYSA-N 0 0 302.349 3.496 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)nc1 ZINC000412843032 527112586 /nfs/dbraw/zinc/11/25/86/527112586.db2.gz RQJPOBSBVKTSGX-KRWDZBQOSA-N 0 0 307.397 3.271 10 30 DGEERN C=CC[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000188596856 527120814 /nfs/dbraw/zinc/12/08/14/527120814.db2.gz AIFAORKKVGJUOB-MOPGFXCFSA-N 0 0 322.408 3.421 10 30 DGEERN C=CC[C@H](C(=O)N[C@H](CO)c1ccsc1)c1ccccc1 ZINC000356246590 527122427 /nfs/dbraw/zinc/12/24/27/527122427.db2.gz ADDLOCBYUDHWQZ-JKSUJKDBSA-N 0 0 301.411 3.258 10 30 DGEERN C=CCCCCCN(C)C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000352961567 527126792 /nfs/dbraw/zinc/12/67/92/527126792.db2.gz DSOSNRGIAXJSEE-UHFFFAOYSA-N 0 0 314.429 3.397 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1cccc(OC)c1 ZINC000285640945 527160355 /nfs/dbraw/zinc/16/03/55/527160355.db2.gz DHHKXFVMBXKDOY-IBGZPJMESA-N 0 0 321.420 3.379 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2cccc2[C@H]1C ZINC000288238258 527161751 /nfs/dbraw/zinc/16/17/51/527161751.db2.gz SBOYYCFDULMVRW-AEFFLSMTSA-N 0 0 321.424 3.209 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nn(CCC)c1C ZINC000287158451 527161885 /nfs/dbraw/zinc/16/18/85/527161885.db2.gz FLZNWAGERKJLMO-SFHVURJKSA-N 0 0 323.440 3.274 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC000283844623 527178922 /nfs/dbraw/zinc/17/89/22/527178922.db2.gz ARBZSFNFTBCIGM-OAHLLOKOSA-N 0 0 322.836 3.332 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1OCC ZINC000132084892 527179629 /nfs/dbraw/zinc/17/96/29/527179629.db2.gz KSGUZXDDYZCVPA-UHFFFAOYSA-N 0 0 324.808 3.102 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc2ccsc21 ZINC000337469735 527179867 /nfs/dbraw/zinc/17/98/67/527179867.db2.gz OTKZJTKRGPOFAG-UHFFFAOYSA-N 0 0 302.399 3.264 10 30 DGEERN C=CC[C@H](CO)CNC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000342208863 527180239 /nfs/dbraw/zinc/18/02/39/527180239.db2.gz MEJQTAVEWVYHEN-GOEBONIOSA-N 0 0 307.459 3.104 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC000360417424 527186676 /nfs/dbraw/zinc/18/66/76/527186676.db2.gz CCHWKLASBQQHOB-HNNXBMFYSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000345571663 527187339 /nfs/dbraw/zinc/18/73/39/527187339.db2.gz UUXSLKAZKRYJLJ-UHFFFAOYSA-N 0 0 317.311 3.453 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1N1CCCC1=O ZINC000133103011 527187514 /nfs/dbraw/zinc/18/75/14/527187514.db2.gz XSFBEAYTCOWYMO-UHFFFAOYSA-N 0 0 301.390 3.243 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC000360029855 527188706 /nfs/dbraw/zinc/18/87/06/527188706.db2.gz BSSGNQQVADWTNX-UHFFFAOYSA-N 0 0 301.365 3.264 10 30 DGEERN C=CC[C@H](CO)NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000184444657 527192999 /nfs/dbraw/zinc/19/29/99/527192999.db2.gz DCJSRFGVHQFKJZ-MRXNPFEDSA-N 0 0 317.429 3.037 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C ZINC000337932610 527195266 /nfs/dbraw/zinc/19/52/66/527195266.db2.gz ZWRDADWSEJPUPG-UHFFFAOYSA-N 0 0 322.416 3.070 10 30 DGEERN C=CCCCN(C)c1nnc(Cn2ccc3ccccc32)n1C ZINC000337897622 527196055 /nfs/dbraw/zinc/19/60/55/527196055.db2.gz FMAHSSAEDIXEBR-UHFFFAOYSA-N 0 0 309.417 3.221 10 30 DGEERN C=CC[C@H](CO)Nc1nc(C)nc2sc3c(c21)CC[C@H](C)C3 ZINC000358486449 527212147 /nfs/dbraw/zinc/21/21/47/527212147.db2.gz YEWCPLGMSXZTPE-CMPLNLGQSA-N 0 0 317.458 3.473 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000420866379 527219723 /nfs/dbraw/zinc/21/97/23/527219723.db2.gz XNSBZIRCDNRSPK-KZNAEPCWSA-N 0 0 316.445 3.431 10 30 DGEERN C=CC[C@H]1N(C(=O)c2nn(CC)cc2[N+](=O)[O-])CCCC1(C)C ZINC000443864158 527226029 /nfs/dbraw/zinc/22/60/29/527226029.db2.gz ZDNWCKGBQZARFR-CYBMUJFWSA-N 0 0 320.393 3.018 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000302031590 527226662 /nfs/dbraw/zinc/22/66/62/527226662.db2.gz NNNCSXIWILGXHZ-OAHLLOKOSA-N 0 0 319.364 3.299 10 30 DGEERN CC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)s1 ZINC000354241875 527259338 /nfs/dbraw/zinc/25/93/38/527259338.db2.gz LRXNKNZKPJAPPZ-LBPRGKRZSA-N 0 0 302.330 3.084 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C)CC1 ZINC000355607206 527259396 /nfs/dbraw/zinc/25/93/96/527259396.db2.gz MRWDRBSFWKKROS-UHFFFAOYSA-N 0 0 301.434 3.318 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000355586143 527259682 /nfs/dbraw/zinc/25/96/82/527259682.db2.gz SKLOHDDLZNQADC-BBRMVZONSA-N 0 0 302.418 3.383 10 30 DGEERN CC(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)s1 ZINC000354241868 527262917 /nfs/dbraw/zinc/26/29/17/527262917.db2.gz LRXNKNZKPJAPPZ-GFCCVEGCSA-N 0 0 302.330 3.084 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000181389203 527263065 /nfs/dbraw/zinc/26/30/65/527263065.db2.gz ZQKXVVSPEHRURI-RHSMWYFYSA-N 0 0 318.417 3.220 10 30 DGEERN C=CCCC[C@@H](C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000338577266 527271974 /nfs/dbraw/zinc/27/19/74/527271974.db2.gz NOYWMPBWDKJUKM-CQSZACIVSA-N 0 0 321.442 3.332 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414515494 527273299 /nfs/dbraw/zinc/27/32/99/527273299.db2.gz MFHGUXSLTLYSTP-QGZVFWFLSA-N 0 0 324.428 3.136 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC000351170029 527281091 /nfs/dbraw/zinc/28/10/91/527281091.db2.gz RVHGUEFSYNGYJO-VXGBXAGGSA-N 0 0 304.419 3.054 10 30 DGEERN CC(=O)c1ccc(NC(=O)N2CCO[C@H](C(C)C)C2)cc1Cl ZINC000330812926 527291267 /nfs/dbraw/zinc/29/12/67/527291267.db2.gz NRBHILMIWWTKMY-HNNXBMFYSA-N 0 0 324.808 3.445 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000350794512 527292899 /nfs/dbraw/zinc/29/28/99/527292899.db2.gz MNSNQAWTXRTKIB-UHFFFAOYSA-N 0 0 318.371 3.428 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000360272546 527296436 /nfs/dbraw/zinc/29/64/36/527296436.db2.gz OBNFDCILIVSQLS-JTQLQIEISA-N 0 0 322.352 3.124 10 30 DGEERN C=CCn1c(C)nnc1N1CCC(F)(c2ccccc2)CC1 ZINC000337917214 527299287 /nfs/dbraw/zinc/29/92/87/527299287.db2.gz VKPNNMUEXZIIIS-UHFFFAOYSA-N 0 0 300.381 3.238 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000351121432 527314123 /nfs/dbraw/zinc/31/41/23/527314123.db2.gz ZMFFZVRUVNSYJG-INIZCTEOSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H]1C(C)C ZINC000350742698 527319984 /nfs/dbraw/zinc/31/99/84/527319984.db2.gz YOVHKCONDZQHPN-INIZCTEOSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC000337810045 527321070 /nfs/dbraw/zinc/32/10/70/527321070.db2.gz KOJDHAZCTMNGTN-LSDHHAIUSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)CC[C@H]1C ZINC000350741387 527321171 /nfs/dbraw/zinc/32/11/71/527321171.db2.gz OOHUYZKVUJNGAF-HUUCEWRRSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)C1CC1 ZINC000351164500 527327954 /nfs/dbraw/zinc/32/79/54/527327954.db2.gz KESDRCNRJFVUQV-LBPRGKRZSA-N 0 0 302.447 3.351 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1CCC(C)(C)C1 ZINC000337913878 527328255 /nfs/dbraw/zinc/32/82/55/527328255.db2.gz RNNSBJJRNRYICR-UHFFFAOYSA-N 0 0 302.447 3.353 10 30 DGEERN C=CCCOCCCCc1nc(-c2cccnc2OC)no1 ZINC000356236092 527338378 /nfs/dbraw/zinc/33/83/78/527338378.db2.gz HWFWKCUPVHVFRG-UHFFFAOYSA-N 0 0 303.362 3.056 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@H](C)Cc1ccccc1C ZINC000445085632 527348154 /nfs/dbraw/zinc/34/81/54/527348154.db2.gz BFXHDVNOMXOHRE-MRXNPFEDSA-N 0 0 304.434 3.160 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC=C(C)CC1 ZINC000350741628 527360586 /nfs/dbraw/zinc/36/05/86/527360586.db2.gz QDRGAMYUQBHJCL-QGZVFWFLSA-N 0 0 322.412 3.297 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CC)C(C)C ZINC000350602651 527360704 /nfs/dbraw/zinc/36/07/04/527360704.db2.gz XCHDDMMFMXAFCI-MRXNPFEDSA-N 0 0 312.417 3.375 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000337332126 527393900 /nfs/dbraw/zinc/39/39/00/527393900.db2.gz JDHRDUVSOSKLKI-CRAIPNDOSA-N 0 0 305.393 3.373 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000135362868 527419108 /nfs/dbraw/zinc/41/91/08/527419108.db2.gz OHAJPYAVCSFJSL-SFHVURJKSA-N 0 0 323.440 3.482 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000133223318 527423025 /nfs/dbraw/zinc/42/30/25/527423025.db2.gz SMVDGWBQPWBPNK-GJZGRUSLSA-N 0 0 324.428 3.152 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)C[C@@H](C)c2nccs2)cc1 ZINC000297049666 527435413 /nfs/dbraw/zinc/43/54/13/527435413.db2.gz XUSAHKJJMRFVKF-CYBMUJFWSA-N 0 0 313.426 3.070 10 30 DGEERN C#Cc1ccc(CNC(=O)[C@H]2CCCc3c(O)cccc32)cc1 ZINC000295307985 527437219 /nfs/dbraw/zinc/43/72/19/527437219.db2.gz BOOHDXMCFAEJOZ-SFHVURJKSA-N 0 0 305.377 3.110 10 30 DGEERN C=CCC[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000370898342 527440023 /nfs/dbraw/zinc/44/00/23/527440023.db2.gz BXOALQQJNGVGKO-IXDOHACOSA-N 0 0 300.402 3.267 10 30 DGEERN C=CCC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000412194836 527443674 /nfs/dbraw/zinc/44/36/74/527443674.db2.gz IAAGRJYSTZWGPN-GVDBMIGSSA-N 0 0 315.413 3.399 10 30 DGEERN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305537 527454720 /nfs/dbraw/zinc/45/47/20/527454720.db2.gz LUAYGKCBXYCSOQ-HUUCEWRRSA-N 0 0 305.422 3.191 10 30 DGEERN C#Cc1ccccc1CC(=O)N(CCC)CCc1ccccn1 ZINC000289910260 527459029 /nfs/dbraw/zinc/45/90/29/527459029.db2.gz URPJFYLQDCVXRB-UHFFFAOYSA-N 0 0 306.409 3.087 10 30 DGEERN CC(C)(C#N)CCCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000444594269 527460776 /nfs/dbraw/zinc/46/07/76/527460776.db2.gz SENVBNZFTAPMJJ-UHFFFAOYSA-N 0 0 319.493 3.431 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000289353720 527463065 /nfs/dbraw/zinc/46/30/65/527463065.db2.gz LOJXFDZBNNUPJS-CQSZACIVSA-N 0 0 323.392 3.105 10 30 DGEERN C=CCC[C@H](C(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000337025041 527463631 /nfs/dbraw/zinc/46/36/31/527463631.db2.gz BZOIAODWSHQSLH-KBPBESRZSA-N 0 0 315.335 3.166 10 30 DGEERN C=CCC[C@H](NC(=O)N1CCC([C@H](C)O)CC1)c1ccccc1 ZINC000130968517 527476384 /nfs/dbraw/zinc/47/63/84/527476384.db2.gz NJMRIQHPLHSXGR-YJBOKZPZSA-N 0 0 316.445 3.496 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccccc1C ZINC000425564103 527494096 /nfs/dbraw/zinc/49/40/96/527494096.db2.gz AMBVNLLCZBAGHA-VYDXJSESSA-N 0 0 302.418 3.289 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O ZINC000419943327 527496548 /nfs/dbraw/zinc/49/65/48/527496548.db2.gz PNIMSALLMHFULO-HZPDHXFCSA-N 0 0 311.385 3.308 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCN(CC(F)F)CC1 ZINC000337523357 527506737 /nfs/dbraw/zinc/50/67/37/527506737.db2.gz AJKZWRKHRHQHLH-UHFFFAOYSA-N 0 0 323.387 3.220 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2cnn(C(C)(C)C)c2)no1 ZINC000347167414 527536037 /nfs/dbraw/zinc/53/60/37/527536037.db2.gz TVUFYNCKJAYFRA-INIZCTEOSA-N 0 0 304.394 3.168 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000425329230 527537140 /nfs/dbraw/zinc/53/71/40/527537140.db2.gz QGCFXLVGARIGNP-SJLPKXTDSA-N 0 0 307.409 3.178 10 30 DGEERN C=CCN(C(=O)[C@@H](OC1CCOCC1)c1ccccc1)C1CC1 ZINC000347907710 527543582 /nfs/dbraw/zinc/54/35/82/527543582.db2.gz PWMBSGPQIUWNKC-SFHVURJKSA-N 0 0 315.413 3.100 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000355586933 527549334 /nfs/dbraw/zinc/54/93/34/527549334.db2.gz PLYZBWLHVLNWOK-QWHCGFSZSA-N 0 0 323.261 3.012 10 30 DGEERN C=C[C@H](C)NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000154162534 527569823 /nfs/dbraw/zinc/56/98/23/527569823.db2.gz IOQLQECIBRFYLN-LBPRGKRZSA-N 0 0 324.409 3.300 10 30 DGEERN CC(C)(C)C(=O)N1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301600910 527570229 /nfs/dbraw/zinc/57/02/29/527570229.db2.gz ZIZIAEYDKNIKSO-UHFFFAOYSA-N 0 0 319.836 3.296 10 30 DGEERN C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)C)cn1)c1ccccc1 ZINC000348544841 527578068 /nfs/dbraw/zinc/57/80/68/527578068.db2.gz RUCRIKOWHQKUNR-CQSZACIVSA-N 0 0 323.396 3.082 10 30 DGEERN C=CCN(C)c1nnc([C@@H]2Cc3ccccc3O2)n1CC(C)C ZINC000338990560 527578588 /nfs/dbraw/zinc/57/85/88/527578588.db2.gz VEYZMGXOLPUQGO-INIZCTEOSA-N 0 0 312.417 3.233 10 30 DGEERN C=CCN(CC(=O)OCC)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175134273 527585765 /nfs/dbraw/zinc/58/57/65/527585765.db2.gz NORILLRSKZTMEB-UHFFFAOYSA-N 0 0 318.348 3.032 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000342007719 527587414 /nfs/dbraw/zinc/58/74/14/527587414.db2.gz MSIQVPQZIWAAPY-LBPRGKRZSA-N 0 0 303.328 3.028 10 30 DGEERN C=CCN(CC1CCCCC1)S(=O)(=O)CC1(C#N)CCC1 ZINC000349617933 527598789 /nfs/dbraw/zinc/59/87/89/527598789.db2.gz BEKSGUNIVYGEED-UHFFFAOYSA-N 0 0 310.463 3.078 10 30 DGEERN CC(C)(C)C1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173351318 527635728 /nfs/dbraw/zinc/63/57/28/527635728.db2.gz VVEYOVKBBCWZEP-UHFFFAOYSA-N 0 0 303.410 3.087 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cc(C)cc(OC)c1C ZINC000447172212 527636935 /nfs/dbraw/zinc/63/69/35/527636935.db2.gz QAWGIIAZXRYJEC-HNNXBMFYSA-N 0 0 302.418 3.313 10 30 DGEERN CC1(C)Oc2ccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)cc2O1 ZINC000408238190 527815938 /nfs/dbraw/zinc/81/59/38/527815938.db2.gz WCEXSFAYULJULH-CMPLNLGQSA-N 0 0 301.346 3.008 10 30 DGEERN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCc2cncnc2C1 ZINC000329281151 527824012 /nfs/dbraw/zinc/82/40/12/527824012.db2.gz MKVQWYKLJDFNAU-GOEBONIOSA-N 0 0 316.449 3.354 10 30 DGEERN CCC[C@@]1(COC)CCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000302828840 527959117 /nfs/dbraw/zinc/95/91/17/527959117.db2.gz OQMAIZJIRUXAIN-INIZCTEOSA-N 0 0 303.362 3.252 10 30 DGEERN CC(C)c1ccc([C@H](C)NS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000183761262 528140108 /nfs/dbraw/zinc/14/01/08/528140108.db2.gz BQBFTHZKEQAJAW-ZDUSSCGKSA-N 0 0 306.431 3.094 10 30 DGEERN CCOc1c(CN2CCC(C)(C#N)CC2)c(C)nn1CC(C)C ZINC000356945946 528166563 /nfs/dbraw/zinc/16/65/63/528166563.db2.gz IZWRIHUJUYBGGI-UHFFFAOYSA-N 0 0 318.465 3.372 10 30 DGEERN CC(C)c1ccccc1S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000443225573 528206920 /nfs/dbraw/zinc/20/69/20/528206920.db2.gz LMEOSPWJTINBLH-UHFFFAOYSA-N 0 0 320.458 3.418 10 30 DGEERN CC(C)CSCCCNC(=O)NCC1CCC(C#N)CC1 ZINC000441003086 528215827 /nfs/dbraw/zinc/21/58/27/528215827.db2.gz WZMNLKJXMWNJHA-UHFFFAOYSA-N 0 0 311.495 3.395 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc(CC#N)c2)no1 ZINC000173593970 528319681 /nfs/dbraw/zinc/31/96/81/528319681.db2.gz PNFDPTFUEGRASB-OAHLLOKOSA-N 0 0 324.384 3.236 10 30 DGEERN CCOc1ccc(NC(=O)N2CC3(C2)CCCOC3)cc1Cl ZINC000329675660 528483609 /nfs/dbraw/zinc/48/36/09/528483609.db2.gz VVEYECJQDZBHQW-UHFFFAOYSA-N 0 0 324.808 3.397 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000356990345 528838088 /nfs/dbraw/zinc/83/80/88/528838088.db2.gz STFJYPSTLFNRSH-GXTWGEPZSA-N 0 0 304.340 3.221 10 30 DGEERN CCS[C@@H]1CC[C@@]1(O)CNc1c(C#N)cnc2ccccc21 ZINC000301493713 529220170 /nfs/dbraw/zinc/22/01/70/529220170.db2.gz RCYVRCOMYFLIHE-NVXWUHKLSA-N 0 0 313.426 3.165 10 30 DGEERN CCS[C@H](C)c1noc(CN(C)CC#Cc2ccccc2)n1 ZINC000192077075 529223326 /nfs/dbraw/zinc/22/33/26/529223326.db2.gz ASVJPVYMNFTZRC-CQSZACIVSA-N 0 0 315.442 3.367 10 30 DGEERN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C#N)ccn1 ZINC000435991719 529249512 /nfs/dbraw/zinc/24/95/12/529249512.db2.gz BNQVESUGAKQNTE-CYBMUJFWSA-N 0 0 315.760 3.403 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2ccc(Cl)cn2)cc1 ZINC000181676602 546160698 /nfs/dbraw/zinc/16/06/98/546160698.db2.gz JADICMYCNHMSGX-UHFFFAOYSA-N 0 0 302.761 3.230 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000182805827 546168813 /nfs/dbraw/zinc/16/88/13/546168813.db2.gz QRTBOALTTBUJTR-GXSJLCMTSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000185223759 546186747 /nfs/dbraw/zinc/18/67/47/546186747.db2.gz CDFLMPYRUNMDEH-YOEHRIQHSA-N 0 0 304.434 3.182 10 30 DGEERN N#CCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000230651845 546274567 /nfs/dbraw/zinc/27/45/67/546274567.db2.gz YMXDHGJRUIAXBE-UHFFFAOYSA-N 0 0 310.378 3.388 10 30 DGEERN COc1ccc(Br)c(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000230686546 546274742 /nfs/dbraw/zinc/27/47/42/546274742.db2.gz PQXDLSUEJCCFIP-IINYFYTJSA-N 0 0 309.207 3.240 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)c1cc(C)cc3c[nH]nc31)CCC2 ZINC000328652456 546480722 /nfs/dbraw/zinc/48/07/22/546480722.db2.gz KMZHNQSAJTVQRX-ZDUSSCGKSA-N 0 0 323.400 3.258 10 30 DGEERN Cc1noc(C)c1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000329619768 546488849 /nfs/dbraw/zinc/48/88/49/546488849.db2.gz QZAOSRFSGIZKEV-OLZOCXBDSA-N 0 0 314.341 3.454 10 30 DGEERN C[C@@]12CN(C(=O)NCc3ccc(C#N)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333821515 546512378 /nfs/dbraw/zinc/51/23/78/546512378.db2.gz JYKWUJNMNZSQLA-NTDBWNAOSA-N 0 0 309.413 3.136 10 30 DGEERN C=CCn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000350724371 546621799 /nfs/dbraw/zinc/62/17/99/546621799.db2.gz ZOPJUVOSKCDULO-ZFWWWQNUSA-N 0 0 310.401 3.049 10 30 DGEERN C#CCOc1cccc(OC(=O)c2ccc(C)nc2Cl)c1 ZINC000730501302 574530515 /nfs/dbraw/zinc/53/05/15/574530515.db2.gz HVPYUWFJSTYCKX-UHFFFAOYSA-N 0 0 301.729 3.275 10 30 DGEERN C#CCOc1cccc(OC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000730501952 574530569 /nfs/dbraw/zinc/53/05/69/574530569.db2.gz TVJVQOPIBSRAFH-UHFFFAOYSA-N 0 0 310.324 3.475 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)C(=O)COCCCCCC ZINC000730748993 574535286 /nfs/dbraw/zinc/53/52/86/574535286.db2.gz SETBPPUUOAMELH-UHFFFAOYSA-N 0 0 305.393 3.384 10 30 DGEERN C#Cc1cccc(NC(=S)NCc2csc(CC)n2)c1 ZINC000730734645 574534691 /nfs/dbraw/zinc/53/46/91/574534691.db2.gz XJUPVHNTCXGTMX-UHFFFAOYSA-N 0 0 301.440 3.173 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@H](COC)c2ccccc2)cc1 ZINC000731113221 574543749 /nfs/dbraw/zinc/54/37/49/574543749.db2.gz MHIDSHADGRLNOG-GOSISDBHSA-N 0 0 324.380 3.208 10 30 DGEERN C#Cc1ccc(C(=O)N(CC)[C@H](C)Cc2ccc(OC)cc2)nc1 ZINC000731335071 574547418 /nfs/dbraw/zinc/54/74/18/574547418.db2.gz LAINAPZRRQARLV-OAHLLOKOSA-N 0 0 322.408 3.165 10 30 DGEERN C#CCOc1ccccc1OC(=O)CN(CC)c1ccccc1 ZINC000731990681 574564595 /nfs/dbraw/zinc/56/45/95/574564595.db2.gz JHBKRLUHCSMXCX-UHFFFAOYSA-N 0 0 309.365 3.131 10 30 DGEERN C[C@@H]1C[C@@H](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC(C)(C)C1 ZINC000732651150 574577802 /nfs/dbraw/zinc/57/78/02/574577802.db2.gz XPBJQUQQNICLLX-VYDXJSESSA-N 0 0 317.477 3.038 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)/C=C/C2CCOCC2)cc1 ZINC000732709460 574579516 /nfs/dbraw/zinc/57/95/16/574579516.db2.gz ATTTXOPBFQCNKK-BCFOUKGLSA-N 0 0 314.381 3.286 10 30 DGEERN N#C[C@H]1CN(Cc2ccc(Cl)cc2Cl)CCN1C1CC1 ZINC000732668911 574578348 /nfs/dbraw/zinc/57/83/48/574578348.db2.gz SBSNWTJVAGHGCV-AWEZNQCLSA-N 0 0 310.228 3.166 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@H](CC)OC1CCCC1 ZINC000733104758 574597991 /nfs/dbraw/zinc/59/79/91/574597991.db2.gz MICXHHFEYHDAHG-HNNXBMFYSA-N 0 0 302.370 3.342 10 30 DGEERN CCC[C@@H](CC1CCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000733220019 574608531 /nfs/dbraw/zinc/60/85/31/574608531.db2.gz DLXSSSZRIRYZCT-FUHWJXTLSA-N 0 0 317.477 3.182 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000733246857 574609867 /nfs/dbraw/zinc/60/98/67/574609867.db2.gz UCLNFUIXGMXRFY-UHFFFAOYSA-N 0 0 301.349 3.050 10 30 DGEERN C#CCCNC(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000733357535 574617831 /nfs/dbraw/zinc/61/78/31/574617831.db2.gz VWVZHMBJAABOMH-LJQANCHMSA-N 0 0 322.408 3.416 10 30 DGEERN C#CCCNC(=O)NCCOc1ccccc1-c1ccccc1 ZINC000733357649 574617944 /nfs/dbraw/zinc/61/79/44/574617944.db2.gz YHBXLOKAQLKVLK-UHFFFAOYSA-N 0 0 308.381 3.055 10 30 DGEERN N#Cc1ccc(CNCc2nc(-c3ccncc3)cs2)cc1 ZINC000733332056 574616935 /nfs/dbraw/zinc/61/69/35/574616935.db2.gz XZVXGXPBTSSCQL-UHFFFAOYSA-N 0 0 306.394 3.367 10 30 DGEERN C#CCCNC(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000733344101 574617090 /nfs/dbraw/zinc/61/70/90/574617090.db2.gz VKCNREPTPWMMDB-CQSZACIVSA-N 0 0 302.418 3.074 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)CCc2cscn2)c1 ZINC000733698016 574634848 /nfs/dbraw/zinc/63/48/48/574634848.db2.gz PWQOAGRAYARTGV-ZDUSSCGKSA-N 0 0 315.394 3.392 10 30 DGEERN CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)[nH]c2C)c1 ZINC000733772842 574638735 /nfs/dbraw/zinc/63/87/35/574638735.db2.gz HUFSLSVKKCOZHB-OAHLLOKOSA-N 0 0 311.385 3.243 10 30 DGEERN C=C(COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000734029355 574647539 /nfs/dbraw/zinc/64/75/39/574647539.db2.gz LUKQAKPZAJRNOT-WDEREUQCSA-N 0 0 308.296 3.018 10 30 DGEERN C=C(COC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)OCC ZINC000734025222 574648364 /nfs/dbraw/zinc/64/83/64/574648364.db2.gz GTGMYKHEEFGIHZ-UHFFFAOYSA-N 0 0 320.385 3.025 10 30 DGEERN C=C(COC(=O)c1cc2c(s1)CCCCC2)C(=O)OCC ZINC000734022864 574648434 /nfs/dbraw/zinc/64/84/34/574648434.db2.gz LNGHLYXROZCEMJ-UHFFFAOYSA-N 0 0 308.399 3.293 10 30 DGEERN C#CCOc1ccccc1CNC(=O)[C@H](C)Cc1ccccc1 ZINC000734105015 574650356 /nfs/dbraw/zinc/65/03/56/574650356.db2.gz YEFWMEBGSMXWTJ-MRXNPFEDSA-N 0 0 307.393 3.194 10 30 DGEERN C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccncc1 ZINC000734237310 574654893 /nfs/dbraw/zinc/65/48/93/574654893.db2.gz NMCAYVCBXPVSME-RHSMWYFYSA-N 0 0 321.380 3.154 10 30 DGEERN C=CCNC(=S)NN=Cc1ccc(-c2cccc(F)c2C)o1 ZINC000734297173 574655346 /nfs/dbraw/zinc/65/53/46/574655346.db2.gz GZWNXZQIHKSFTF-UHFFFAOYSA-N 0 0 317.389 3.378 10 30 DGEERN C=CCOCC(=O)O[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000734733155 574674066 /nfs/dbraw/zinc/67/40/66/574674066.db2.gz XZHDSRNZIJDNGY-NSHDSACASA-N 0 0 300.301 3.403 10 30 DGEERN CCCCCC[C@H](CC)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000735012779 574685546 /nfs/dbraw/zinc/68/55/46/574685546.db2.gz HYXLPZSPVNIOOC-RDJZCZTQSA-N 0 0 305.466 3.182 10 30 DGEERN N#CCOc1ccc(Cl)cc1CON=C(N)c1ccccc1 ZINC000735304910 574696494 /nfs/dbraw/zinc/69/64/94/574696494.db2.gz QIENHOMKAWXOLU-UHFFFAOYSA-N 0 0 315.760 3.289 10 30 DGEERN CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1OCC#N ZINC000735310287 574697122 /nfs/dbraw/zinc/69/71/22/574697122.db2.gz XGYKVHJICCYNFW-UHFFFAOYSA-N 0 0 324.808 3.016 10 30 DGEERN CCO[C@H](CC)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735347513 574699211 /nfs/dbraw/zinc/69/92/11/574699211.db2.gz JFHTZYRZNWMFKI-CYBMUJFWSA-N 0 0 311.765 3.101 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1cscn1 ZINC000735346484 574699305 /nfs/dbraw/zinc/69/93/05/574699305.db2.gz NTHISWJIGSZNQP-UHFFFAOYSA-N 0 0 308.746 3.056 10 30 DGEERN C=CCCCOC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000735528904 574705118 /nfs/dbraw/zinc/70/51/18/574705118.db2.gz VKCWPTPIDBKIKK-UHFFFAOYSA-N 0 0 322.304 3.103 10 30 DGEERN Cc1ccc(N=NC(C)[C@H]2CN(Cc3ccccc3)CCO2)nc1 ZINC000735613639 574708672 /nfs/dbraw/zinc/70/86/72/574708672.db2.gz FQCOJKNJQQVJBA-GOSISDBHSA-N 0 0 324.428 3.079 10 30 DGEERN Brc1ccc2[nH]cc(CN=Nc3cccnn3)c2c1 ZINC000735974621 574725003 /nfs/dbraw/zinc/72/50/03/574725003.db2.gz HSIWPLLETHXVMH-UHFFFAOYSA-N 0 0 316.162 3.166 10 30 DGEERN C=CCOc1cccc(N[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 ZINC000739990548 574917166 /nfs/dbraw/zinc/91/71/66/574917166.db2.gz QYXFACUEUSJWPU-SFHVURJKSA-N 0 0 322.364 3.449 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)c1ccc(C)nc1Cl ZINC000741638708 574965242 /nfs/dbraw/zinc/96/52/42/574965242.db2.gz SPJHVNZPIFOZEO-UHFFFAOYSA-N 0 0 318.735 3.447 10 30 DGEERN C#CCN(CC#CC)C(=O)CCOc1cccc(Cl)c1Cl ZINC000742003531 574979153 /nfs/dbraw/zinc/97/91/53/574979153.db2.gz YKMXGSBUJGVMLI-UHFFFAOYSA-N 0 0 324.207 3.247 10 30 DGEERN C#CCOc1cc(F)ccc1NCCOc1ccc(F)cc1 ZINC000742260379 574988388 /nfs/dbraw/zinc/98/83/88/574988388.db2.gz FBJZOAYWSHYXAO-UHFFFAOYSA-N 0 0 303.308 3.468 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1nc(-c2ccoc2)no1 ZINC000742261354 574988395 /nfs/dbraw/zinc/98/83/95/574988395.db2.gz UWGYPIFTAJXIMF-UHFFFAOYSA-N 0 0 313.288 3.093 10 30 DGEERN C#CCNC(=O)c1ccc(N[C@@H](CC2CC2)c2ccccc2)nc1 ZINC000742417761 574998741 /nfs/dbraw/zinc/99/87/41/574998741.db2.gz KJMPHXFGZCQZOK-SFHVURJKSA-N 0 0 319.408 3.398 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cc(-c3ccoc3)[nH]n2)cc1 ZINC000742862231 575022535 /nfs/dbraw/zinc/02/25/35/575022535.db2.gz WUXUADDUECDFQZ-UHFFFAOYSA-N 0 0 310.309 3.454 10 30 DGEERN C=CCCOCC(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000729220649 575226210 /nfs/dbraw/zinc/22/62/10/575226210.db2.gz CPIMNPNYJOISJL-UHFFFAOYSA-N 0 0 314.341 3.112 10 30 DGEERN O=C(/C=C/c1cnn2ccccc12)c1ccc2c(c1)CCC(=O)N2 ZINC000729644656 575258236 /nfs/dbraw/zinc/25/82/36/575258236.db2.gz ZPRGEONNVCATMR-VMPITWQZSA-N 0 0 317.348 3.115 10 30 DGEERN COc1cccc(NC(=S)NCc2ccc(C#N)cc2F)c1 ZINC000729821981 575264251 /nfs/dbraw/zinc/26/42/51/575264251.db2.gz FITMMLCQFMWFIQ-UHFFFAOYSA-N 0 0 315.373 3.193 10 30 DGEERN C=CCN(C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1)C(C)C ZINC000730132521 575275327 /nfs/dbraw/zinc/27/53/27/575275327.db2.gz VIEHMIKJDJXHMJ-CQSZACIVSA-N 0 0 320.433 3.241 10 30 DGEERN C#CCSCCNC(=O)c1ccccc1Cc1ccccc1 ZINC000739828291 576028286 /nfs/dbraw/zinc/02/82/86/576028286.db2.gz ABGHFUCZCRNOMN-UHFFFAOYSA-N 0 0 309.434 3.374 10 30 DGEERN CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccc(C)cn1 ZINC000727260069 576116110 /nfs/dbraw/zinc/11/61/10/576116110.db2.gz PXLKOAPBYYGTNW-UHFFFAOYSA-N 0 0 300.318 3.143 10 30 DGEERN CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(F)cc1O ZINC000727777353 576145061 /nfs/dbraw/zinc/14/50/61/576145061.db2.gz QFBSBHDCISMENE-UHFFFAOYSA-N 0 0 321.352 3.381 10 30 DGEERN CC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccccc2C#N)c(C)c1 ZINC000728242298 576171636 /nfs/dbraw/zinc/17/16/36/576171636.db2.gz FMPSPZLHTFPTDK-AWEZNQCLSA-N 0 0 323.348 3.442 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000728510056 576186250 /nfs/dbraw/zinc/18/62/50/576186250.db2.gz BMHVQLZTJHINFH-UHFFFAOYSA-N 0 0 319.813 3.455 10 30 DGEERN C#Cc1cccc(N(CC)Cc2cn(-c3ccccc3)nn2)c1 ZINC000728573371 576189025 /nfs/dbraw/zinc/18/90/25/576189025.db2.gz OCEPWQUYYNJWMJ-UHFFFAOYSA-N 0 0 302.381 3.275 10 30 DGEERN C#Cc1ccc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)nc1 ZINC000728862495 576221458 /nfs/dbraw/zinc/22/14/58/576221458.db2.gz SUDXCRSUIWHQJV-UHFFFAOYSA-N 0 0 303.365 3.091 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C#N)C(C)(C)C ZINC000154376469 620666324 /nfs/dbraw/zinc/66/63/24/620666324.db2.gz UHZBYIZCMZGPGK-OAHLLOKOSA-N 0 0 305.422 3.180 10 30 DGEERN CC(C)c1noc2ncc(C(=O)O[C@H](C#N)C(C)(C)C)cc21 ZINC000154398506 620668906 /nfs/dbraw/zinc/66/89/06/620668906.db2.gz IFYXZOZWEUNUDN-GFCCVEGCSA-N 0 0 301.346 3.441 10 30 DGEERN COCCCOc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000154542020 620685614 /nfs/dbraw/zinc/68/56/14/620685614.db2.gz VOQLRCMEWWLASE-OAHLLOKOSA-N 0 0 305.374 3.197 10 30 DGEERN COCCOCc1cc(C(=O)O[C@H](C#N)C(C)(C)C)ccc1F ZINC000154557920 620686893 /nfs/dbraw/zinc/68/68/93/620686893.db2.gz YYHQKHPVCWVVQG-OAHLLOKOSA-N 0 0 323.364 3.084 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000154602505 620692840 /nfs/dbraw/zinc/69/28/40/620692840.db2.gz GTJWGGPLHIASJZ-JTQLQIEISA-N 0 0 316.279 3.118 10 30 DGEERN C#CCOc1ccc(C(=O)N(CCC)C[C@H]2CCCCO2)cc1 ZINC000154768477 620716535 /nfs/dbraw/zinc/71/65/35/620716535.db2.gz AFBGTFJQSGTBAU-GOSISDBHSA-N 0 0 315.413 3.120 10 30 DGEERN N#Cc1cccc(OCCCCC(=O)OCC(F)(F)F)c1 ZINC000111677527 620746878 /nfs/dbraw/zinc/74/68/78/620746878.db2.gz OCOVLUSDXDPAHL-UHFFFAOYSA-N 0 0 301.264 3.213 10 30 DGEERN Cc1ccc(CCCC(=O)OCCNc2ncccc2C#N)cc1 ZINC000111957826 620772761 /nfs/dbraw/zinc/77/27/61/620772761.db2.gz ZZTDBZHODXLDAG-UHFFFAOYSA-N 0 0 323.396 3.240 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)C1(CCOC)CC1 ZINC000155169279 618028958 /nfs/dbraw/zinc/02/89/58/618028958.db2.gz KYGJGKUDGIBOMT-CQSZACIVSA-N 0 0 302.370 3.120 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)/C=C/C1CCOCC1 ZINC000112223391 620801528 /nfs/dbraw/zinc/80/15/28/620801528.db2.gz DDSKHFXOLNMOFO-HVHJFMEUSA-N 0 0 314.381 3.286 10 30 DGEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC000910489050 620296785 /nfs/dbraw/zinc/29/67/85/620296785.db2.gz ZMHWUFFMRJMHDI-DFFLPILJSA-N 0 0 322.430 3.032 10 30 DGEERN COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1C#N ZINC000151220241 620431629 /nfs/dbraw/zinc/43/16/29/620431629.db2.gz NPMWQAJLHVNMJE-YBEGLDIGSA-N 0 0 318.332 3.220 10 30 DGEERN C=CCCOC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000151307992 620437658 /nfs/dbraw/zinc/43/76/58/620437658.db2.gz MCQVGHIOVCXJOO-SNVBAGLBSA-N 0 0 314.307 3.028 10 30 DGEERN C#C[C@@H](OC(=O)/C=C/c1ccc(OCC=C)c(OC)c1)C1CC1 ZINC000152264591 620500065 /nfs/dbraw/zinc/50/00/65/620500065.db2.gz NQENPOULDYYPBW-AYAUWGRQSA-N 0 0 312.365 3.228 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H]1COc2ccccc21 ZINC000153106423 620533561 /nfs/dbraw/zinc/53/35/61/620533561.db2.gz RXZQQYXYIXSILS-YVEFUNNKSA-N 0 0 309.321 3.002 10 30 DGEERN COc1ccc(CC(=O)OC[C@H](C#N)Cc2cccs2)cc1 ZINC000153336022 620551563 /nfs/dbraw/zinc/55/15/63/620551563.db2.gz FOLHCQHNHIMJCA-AWEZNQCLSA-N 0 0 315.394 3.225 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000153884249 620620951 /nfs/dbraw/zinc/62/09/51/620620951.db2.gz LICPFKFDPVKUJC-KBXCAEBGSA-N 0 0 309.365 3.362 10 30 DGEERN C=CCCC(=O)OC1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000113674556 620935538 /nfs/dbraw/zinc/93/55/38/620935538.db2.gz YGAFUILZVXXAGU-UHFFFAOYSA-N 0 0 301.386 3.367 10 30 DGEERN C#Cc1cccc(N(C)Cc2nnc(-c3ccccc3)n2C)c1 ZINC000103146136 621265503 /nfs/dbraw/zinc/26/55/03/621265503.db2.gz LTTYXKCMZCKELQ-UHFFFAOYSA-N 0 0 302.381 3.100 10 30 DGEERN C=CCCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117677972 621430227 /nfs/dbraw/zinc/43/02/27/621430227.db2.gz OYVKDKZYGYZSPG-UHFFFAOYSA-N 0 0 302.286 3.259 10 30 DGEERN C[C@@H](OC(=O)c1sccc1C#N)c1ccc([N+](=O)[O-])cc1 ZINC000118990063 621604815 /nfs/dbraw/zinc/60/48/15/621604815.db2.gz RNHCTHIFHMOQCJ-SECBINFHSA-N 0 0 302.311 3.446 10 30 DGEERN COc1cc(/C=C/C(=O)c2occc2C)cc2c1OCCO2 ZINC000119026664 621608512 /nfs/dbraw/zinc/60/85/12/621608512.db2.gz KALVPYUTSOPRQX-ONEGZZNKSA-N 0 0 300.310 3.264 10 30 DGEERN C#CCCCCC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000119590485 621699609 /nfs/dbraw/zinc/69/96/09/621699609.db2.gz FDMQMRSCUGTEAC-UHFFFAOYSA-N 0 0 311.328 3.106 10 30 DGEERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C#N ZINC000120194219 621802082 /nfs/dbraw/zinc/80/20/82/621802082.db2.gz SYSKXKLYJTVVEJ-VIFPVBQESA-N 0 0 301.264 3.318 10 30 DGEERN N#C[C@@H](COC(=O)Cc1c(F)cccc1F)Cc1ccccc1 ZINC000122107349 622232853 /nfs/dbraw/zinc/23/28/53/622232853.db2.gz YZXQKHMINRRTOA-AWEZNQCLSA-N 0 0 315.319 3.433 10 30 DGEERN COc1ccccc1[C@@H](O)CNc1cc(Cl)ccc1C#N ZINC000122620482 622366389 /nfs/dbraw/zinc/36/63/89/622366389.db2.gz RBVBMUQGIZQNFA-HNNXBMFYSA-N 0 0 302.761 3.366 10 30 DGEERN C=C(C)CN(CC)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000122942117 622433550 /nfs/dbraw/zinc/43/35/50/622433550.db2.gz YFASGOQSTBWWAI-CQSZACIVSA-N 0 0 310.438 3.058 10 30 DGEERN C#CCN(C(=O)NC[C@@H]1CCCO[C@H]1C(C)C)C1CCCC1 ZINC000123916983 622749789 /nfs/dbraw/zinc/74/97/89/622749789.db2.gz VIHQHIABPGFREP-RDJZCZTQSA-N 0 0 306.450 3.025 10 30 DGEERN C[C@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000125429372 623452022 /nfs/dbraw/zinc/45/20/22/623452022.db2.gz GRAQVRBXIAAUKI-RDTXWAMCSA-N 0 0 318.380 3.022 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)c1ccc(C#N)cc1C ZINC000125554741 623482326 /nfs/dbraw/zinc/48/23/26/623482326.db2.gz CKSKUSBOWYWJAM-UHFFFAOYSA-N 0 0 308.312 3.270 10 30 DGEERN CCCCCCOc1ccc(C(=O)N[C@H](C)C#N)cc1OC ZINC000125808974 623562831 /nfs/dbraw/zinc/56/28/31/623562831.db2.gz OHTOIFDQNGKKMB-CYBMUJFWSA-N 0 0 304.390 3.296 10 30 DGEERN C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C(C)(C)C#N ZINC000130513837 625865342 /nfs/dbraw/zinc/86/53/42/625865342.db2.gz YORXFXPDSWTXAK-SECBINFHSA-N 0 0 316.279 3.118 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@@H](C)C(C)(C)C#N)c(OC)c1 ZINC000130661374 625885505 /nfs/dbraw/zinc/88/55/05/625885505.db2.gz WAYCLLUMKCQBFP-ZDUSSCGKSA-N 0 0 317.385 3.284 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CN(CC(F)F)C(C)C ZINC000130869253 625912818 /nfs/dbraw/zinc/91/28/18/625912818.db2.gz HWENUMCAUVZWHQ-UHFFFAOYSA-N 0 0 319.359 3.058 10 30 DGEERN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000131499916 626645200 /nfs/dbraw/zinc/64/52/00/626645200.db2.gz PYTAXWPFHIOUIR-KBPBESRZSA-N 0 0 318.417 3.139 10 30 DGEERN C#CCOCCC(=O)O[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000132094834 626699027 /nfs/dbraw/zinc/69/90/27/626699027.db2.gz PBLHYABBBYUHDY-CYBMUJFWSA-N 0 0 315.394 3.454 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ncnc3oc(C)c(C)c32)cc1 ZINC000132651843 626732421 /nfs/dbraw/zinc/73/24/21/626732421.db2.gz DSWKSOWEYQFHMX-UHFFFAOYSA-N 0 0 321.336 3.104 10 30 DGEERN C#C[C@H](OC(=O)CCc1cccc(Br)c1)C1CC1 ZINC000133987219 626848946 /nfs/dbraw/zinc/84/89/46/626848946.db2.gz GQWHUTLOJSLTSE-AWEZNQCLSA-N 0 0 307.187 3.337 10 30 DGEERN CC(=O)CCN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000135185417 626914987 /nfs/dbraw/zinc/91/49/87/626914987.db2.gz YIEYNJUODVBHIY-UHFFFAOYSA-N 0 0 321.380 3.353 10 30 DGEERN Cc1cc(Cl)ncc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000135965431 627030841 /nfs/dbraw/zinc/03/08/41/627030841.db2.gz BNMMRPCRGKLCKT-NSHDSACASA-N 0 0 315.760 3.321 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)Oc2ccc(C#N)cc2OC)c1 ZINC000106596655 631346266 /nfs/dbraw/zinc/34/62/66/631346266.db2.gz NRRQSIRTUKORPN-CVEARBPZSA-N 0 0 323.348 3.285 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000106650930 631435152 /nfs/dbraw/zinc/43/51/52/631435152.db2.gz WOZQGGSXUXFRKH-RTBURBONSA-N 0 0 305.377 3.443 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCC(=O)c1cccs1 ZINC000107192275 631560637 /nfs/dbraw/zinc/56/06/37/631560637.db2.gz HDDQGDLVEGWVNN-UHFFFAOYSA-N 0 0 314.362 3.329 10 30 DGEERN C#CCOc1cccc(NC(=O)[C@@H](CC)c2c(C)noc2C)c1 ZINC000108183400 631822682 /nfs/dbraw/zinc/82/26/82/631822682.db2.gz JLRMEZJPGSVDGV-INIZCTEOSA-N 0 0 312.369 3.436 10 30 DGEERN CC(C)(CC#N)COC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000184764450 660186154 /nfs/dbraw/zinc/18/61/54/660186154.db2.gz YFVPJMUDZLTQIJ-UHFFFAOYSA-N 0 0 309.312 3.411 10 30 DGEERN C#CCCCCCOC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000185330598 660216409 /nfs/dbraw/zinc/21/64/09/660216409.db2.gz ZNPQXKNTODEDNV-UHFFFAOYSA-N 0 0 315.291 3.373 10 30 DGEERN C#CCC(C)(C)COC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000185355962 660218323 /nfs/dbraw/zinc/21/83/23/660218323.db2.gz JUPOBLTZURNGBB-UHFFFAOYSA-N 0 0 315.291 3.229 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1ncc(Cl)c1C ZINC000156566609 658926666 /nfs/dbraw/zinc/92/66/66/658926666.db2.gz AWHXWHPYNJRPJH-UHFFFAOYSA-N 0 0 320.780 3.399 10 30 DGEERN C=CCOCCCC(=O)OC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000185845608 660248416 /nfs/dbraw/zinc/24/84/16/660248416.db2.gz RWFCINWBDSPSMH-SJLPKXTDSA-N 0 0 304.386 3.290 10 30 DGEERN CC#CCCCC(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000186250699 660354418 /nfs/dbraw/zinc/35/44/18/660354418.db2.gz GHBSFYDYCJVWBE-UHFFFAOYSA-N 0 0 313.401 3.016 10 30 DGEERN Cc1cccc(OCC(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000079222660 660490885 /nfs/dbraw/zinc/49/08/85/660490885.db2.gz TUVBREBEFYHADN-QGZVFWFLSA-N 0 0 309.365 3.300 10 30 DGEERN C#C[C@H](CC)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000700625921 660630918 /nfs/dbraw/zinc/63/09/18/660630918.db2.gz ANDCTUKOSASCBM-SMDDNHRTSA-N 0 0 308.219 3.471 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2ccc(CC#N)cc2)C1 ZINC000711390747 660949335 /nfs/dbraw/zinc/94/93/35/660949335.db2.gz JXLYMDCJSHGCFV-FZNQNYSPSA-N 0 0 315.417 3.468 10 30 DGEERN N#Cc1cc(NCc2nccn2C2CC2)ccc1Br ZINC000711745159 660962441 /nfs/dbraw/zinc/96/24/41/660962441.db2.gz GWWXFRMZYGUIHE-UHFFFAOYSA-N 0 0 317.190 3.464 10 30 DGEERN C=CCCCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000187155130 660961357 /nfs/dbraw/zinc/96/13/57/660961357.db2.gz GXOMEJPVXHVERL-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN C#CCN(CC(=O)Nc1ccccc1F)[C@@H]1CCc2ccccc21 ZINC000097336967 655530461 /nfs/dbraw/zinc/53/04/61/655530461.db2.gz MZDKPYQMEZZAQP-LJQANCHMSA-N 0 0 322.383 3.387 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000175721139 655532247 /nfs/dbraw/zinc/53/22/47/655532247.db2.gz YUJQIPJRTUNQIP-UONOGXRCSA-N 0 0 306.192 3.192 10 30 DGEERN C=C[C@@H](C)OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000187509312 655550348 /nfs/dbraw/zinc/55/03/48/655550348.db2.gz HABPFVRVSMMHPW-MRVPVSSYSA-N 0 0 307.243 3.092 10 30 DGEERN COC(=O)/C=C/c1ccc(OCC#Cc2ccccc2)c(OC)c1 ZINC000187856088 655557977 /nfs/dbraw/zinc/55/79/77/655557977.db2.gz FZXXSRSLFHSQOJ-ACCUITESSA-N 0 0 322.360 3.312 10 30 DGEERN Cc1csc(C(C#N)=C([O-])C=Cc2ccnc(Cl)c2)n1 ZINC000255044853 655571976 /nfs/dbraw/zinc/57/19/76/655571976.db2.gz JOYXHPUWDBXATE-OTDNITJGSA-N 0 0 303.774 3.390 10 30 DGEERN CCOc1ccc(CNC(=O)/C=C\c2ccccc2C#N)cc1F ZINC000255165048 655618497 /nfs/dbraw/zinc/61/84/97/655618497.db2.gz FSOPNPLEKICHKH-NTMALXAHSA-N 0 0 324.355 3.426 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@H](C)Sc2nncn2C)CC1 ZINC000177695423 655623965 /nfs/dbraw/zinc/62/39/65/655623965.db2.gz YSWFNVHIXMKBNK-GXTWGEPZSA-N 0 0 321.446 3.142 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(OCC(F)(F)F)n1)C(C)C ZINC000177735453 655634122 /nfs/dbraw/zinc/63/41/22/655634122.db2.gz IXUREMWAHBMBCA-GFCCVEGCSA-N 0 0 315.291 3.227 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCCc1csc(C)n1 ZINC000175816545 655650730 /nfs/dbraw/zinc/65/07/30/655650730.db2.gz NZGUIXSDVJYHPP-UHFFFAOYSA-N 0 0 315.394 3.392 10 30 DGEERN Cc1n[nH]c2cc(NC(=O)C=Cc3ccccc3C#N)ccc12 ZINC000255319242 655698692 /nfs/dbraw/zinc/69/86/92/655698692.db2.gz PYQFCRREILCVFJ-TWGQIWQCSA-N 0 0 302.337 3.395 10 30 DGEERN C=C[C@H](C)OC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000187581384 655723272 /nfs/dbraw/zinc/72/32/72/655723272.db2.gz DEYBULNRLILWOX-NSHDSACASA-N 0 0 304.321 3.234 10 30 DGEERN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176089295 655733223 /nfs/dbraw/zinc/73/32/23/655733223.db2.gz PEAIPXMDIWGIPS-MCIONIFRSA-N 0 0 302.761 3.033 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCc1nc(-c2ccccc2)cs1 ZINC000176108738 655734882 /nfs/dbraw/zinc/73/48/82/655734882.db2.gz HCACRLZVNAOFDT-UHFFFAOYSA-N 0 0 323.377 3.377 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000176188581 655745948 /nfs/dbraw/zinc/74/59/48/655745948.db2.gz TUVQWSZHWMJFFL-INIZCTEOSA-N 0 0 320.360 3.388 10 30 DGEERN C=C1CCC(CNC(=O)c2ncccc2Br)CC1 ZINC000724458576 655767000 /nfs/dbraw/zinc/76/70/00/655767000.db2.gz MMTZEIDFVXNJTM-UHFFFAOYSA-N 0 0 309.207 3.320 10 30 DGEERN CCOc1ccc(C=NOCC(=O)Nc2cccc(C)c2)cc1 ZINC000255494630 655768069 /nfs/dbraw/zinc/76/80/69/655768069.db2.gz RUPJYTLVRYJVJQ-UHFFFAOYSA-N 0 0 312.369 3.383 10 30 DGEERN CON=Cc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1 ZINC000255519315 655789697 /nfs/dbraw/zinc/78/96/97/655789697.db2.gz PXHXGHYTOBBPGK-UHFFFAOYSA-N 0 0 308.341 3.104 10 30 DGEERN C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000255548723 655794493 /nfs/dbraw/zinc/79/44/93/655794493.db2.gz HHUHJKVRIRZXFL-JWJUJFCLSA-N 0 0 320.348 3.178 10 30 DGEERN N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)c1ccccn1 ZINC000121982415 655798555 /nfs/dbraw/zinc/79/85/55/655798555.db2.gz RVLFQLYIMGYTHV-CQSZACIVSA-N 0 0 316.307 3.492 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1CC1 ZINC000156463704 655812956 /nfs/dbraw/zinc/81/29/56/655812956.db2.gz DAFQUSZTGMKOLC-HUUCEWRRSA-N 0 0 321.417 3.025 10 30 DGEERN CON=Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000255583051 655839523 /nfs/dbraw/zinc/83/95/23/655839523.db2.gz HPBYGTBTKBAQEG-QGZVFWFLSA-N 0 0 312.344 3.223 10 30 DGEERN O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cc(O)ccc1O ZINC000176955262 655884381 /nfs/dbraw/zinc/88/43/81/655884381.db2.gz BHSIFZGAIAJBRZ-SOFGYWHQSA-N 0 0 306.321 3.384 10 30 DGEERN CCOc1ccccc1OCCCC(=O)O[C@@H](C#N)C1CC1 ZINC000177039405 655889707 /nfs/dbraw/zinc/88/97/07/655889707.db2.gz LXDXRHZMXFYWKL-INIZCTEOSA-N 0 0 303.358 3.090 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)c2c(C)nn(C)c2OC)CC1 ZINC000177693350 655940817 /nfs/dbraw/zinc/94/08/17/655940817.db2.gz RLUFYGWSYZGKLI-CQSZACIVSA-N 0 0 304.390 3.197 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)c2c(C)nn(C)c2OC)CC1 ZINC000177693341 655940856 /nfs/dbraw/zinc/94/08/56/655940856.db2.gz RLUFYGWSYZGKLI-AWEZNQCLSA-N 0 0 304.390 3.197 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)NC(=O)CC1CCCCC1)C(C)C ZINC000177718458 655943429 /nfs/dbraw/zinc/94/34/29/655943429.db2.gz HKWMZFXUNZAAIL-GOEBONIOSA-N 0 0 307.434 3.053 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000177728953 655943675 /nfs/dbraw/zinc/94/36/75/655943675.db2.gz DBKRSAPWKMRXOV-ILXRZTDVSA-N 0 0 323.433 3.271 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc(F)c(COCCOC)c1)C(C)C ZINC000177735821 655944087 /nfs/dbraw/zinc/94/40/87/655944087.db2.gz UUWCCUOCXMTUTE-KRWDZBQOSA-N 0 0 322.376 3.193 10 30 DGEERN CC(C)n1cc(Nc2ncc(Br)cc2C#N)cn1 ZINC000310884586 655964637 /nfs/dbraw/zinc/96/46/37/655964637.db2.gz IZKNSFBNXXVKGK-UHFFFAOYSA-N 0 0 306.167 3.237 10 30 DGEERN O=C(/C=C\c1cccc(OCC(F)(F)F)c1)c1cnccn1 ZINC000255915882 655966194 /nfs/dbraw/zinc/96/61/94/655966194.db2.gz JYHXGFVPBUOFCS-PLNGDYQASA-N 0 0 308.259 3.314 10 30 DGEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000311687347 656011301 /nfs/dbraw/zinc/01/13/01/656011301.db2.gz OANWAUTXHSPOII-WCQYABFASA-N 0 0 323.190 3.074 10 30 DGEERN COc1ccccc1OCCN(C)C(=O)c1ccc(C#N)cc1C ZINC000162281949 656051163 /nfs/dbraw/zinc/05/11/63/656051163.db2.gz HAEHOFWSZBWCKX-UHFFFAOYSA-N 0 0 324.380 3.026 10 30 DGEERN CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162298338 656080041 /nfs/dbraw/zinc/08/00/41/656080041.db2.gz YORWONWTWIPQGY-GDBMZVCRSA-N 0 0 322.449 3.130 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)OCC(C)(C)C#N)c1 ZINC000180100632 656090421 /nfs/dbraw/zinc/09/04/21/656090421.db2.gz MIJOGQCFVKSOTP-UHFFFAOYSA-N 0 0 303.358 3.348 10 30 DGEERN C#CC[C@@H](COC)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000716841952 661229783 /nfs/dbraw/zinc/22/97/83/661229783.db2.gz HNTYETRABAWICK-JTQLQIEISA-N 0 0 301.173 3.153 10 30 DGEERN N#CCOc1ccc(CC(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000191180606 656166861 /nfs/dbraw/zinc/16/68/61/656166861.db2.gz PQHHQCWGAQFPDP-UHFFFAOYSA-N 0 0 320.392 3.325 10 30 DGEERN N#C[C@H](COC(=O)[C@@H]1CC1(Cl)Cl)Cc1ccc(F)cc1 ZINC000123782741 656183381 /nfs/dbraw/zinc/18/33/81/656183381.db2.gz YPBSBQVETHKHHP-PWSUYJOCSA-N 0 0 316.159 3.245 10 30 DGEERN N#C[C@@H](COC(=O)[C@H]1CC1(Cl)Cl)Cc1ccc(F)cc1 ZINC000123783428 656183421 /nfs/dbraw/zinc/18/34/21/656183421.db2.gz YPBSBQVETHKHHP-CMPLNLGQSA-N 0 0 316.159 3.245 10 30 DGEERN CCCCC1CCC(C(=O)[C@@H](C#N)C(=O)N2CCCC2)CC1 ZINC000124700674 656252152 /nfs/dbraw/zinc/25/21/52/656252152.db2.gz WNQJLAPGHTWNEF-UYSNPLJNSA-N 0 0 304.434 3.314 10 30 DGEERN CCOc1ccc(OCc2ccc(OC)c(C#N)c2)c(C=O)c1 ZINC000162859575 656422523 /nfs/dbraw/zinc/42/25/23/656422523.db2.gz FQAMCNMAPXCLGS-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN N#Cc1cc(CN2CCS[C@@H](C(F)(F)F)C2)ccc1F ZINC000721393264 656519705 /nfs/dbraw/zinc/51/97/05/656519705.db2.gz ZISGGDKCLPNRSH-GFCCVEGCSA-N 0 0 304.312 3.177 10 30 DGEERN N#Cc1sc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)nc1Cl ZINC000722379936 656626375 /nfs/dbraw/zinc/62/63/75/656626375.db2.gz NFTLDXQPCDUJAG-VDTYLAMSSA-N 0 0 311.716 3.190 10 30 DGEERN C=CCCC(=O)OC[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000077887325 656689614 /nfs/dbraw/zinc/68/96/14/656689614.db2.gz VPMUNNLFGIQMRM-CXAGYDPISA-N 0 0 321.804 3.369 10 30 DGEERN C=CCOc1ccccc1CNc1ccc2c(c1)NC(=O)CO2 ZINC000123942903 656937237 /nfs/dbraw/zinc/93/72/37/656937237.db2.gz KDKOQWQPYYYOAZ-UHFFFAOYSA-N 0 0 310.353 3.194 10 30 DGEERN C=CCc1cc(C(=O)NC2(CC)CCC2)cc(OC)c1OC ZINC000178591629 656938676 /nfs/dbraw/zinc/93/86/76/656938676.db2.gz JCGSOZOIBBWPKU-UHFFFAOYSA-N 0 0 303.402 3.495 10 30 DGEERN Cc1nc(C(=O)OC[C@H](C#N)Cc2ccccc2)c(C)s1 ZINC000178761225 657040938 /nfs/dbraw/zinc/04/09/38/657040938.db2.gz GNXRFHJGPGGQDD-AWEZNQCLSA-N 0 0 300.383 3.299 10 30 DGEERN CCOc1cc(/C=C\C(=O)c2cnn(C)c2)ccc1OC(F)F ZINC000096603075 657539523 /nfs/dbraw/zinc/53/95/23/657539523.db2.gz RDUSOHRVLXWLIP-XQRVVYSFSA-N 0 0 322.311 3.316 10 30 DGEERN CC(C)(C)c1cc(C=NNC(N)=S)cc(C(C)(C)C)c1O ZINC000252447751 657568578 /nfs/dbraw/zinc/56/85/78/657568578.db2.gz OLJVVCRZOHHKIC-UHFFFAOYSA-N 0 0 307.463 3.154 10 30 DGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cccc(F)c1 ZINC000097160426 657607902 /nfs/dbraw/zinc/60/79/02/657607902.db2.gz CQUUSHKKYSEPCV-UHFFFAOYSA-N 0 0 323.327 3.320 10 30 DGEERN C=CCOc1ccccc1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000304298362 657622231 /nfs/dbraw/zinc/62/22/31/657622231.db2.gz NYSFMDLXPCPFRG-KRWDZBQOSA-N 0 0 303.427 3.310 10 30 DGEERN C=CCOc1ccccc1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000304298366 657622271 /nfs/dbraw/zinc/62/22/71/657622271.db2.gz NYSFMDLXPCPFRG-QGZVFWFLSA-N 0 0 303.427 3.310 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000191106034 657757250 /nfs/dbraw/zinc/75/72/50/657757250.db2.gz AHHNYXGOUQRSBD-INIZCTEOSA-N 0 0 307.346 3.289 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccc(N(C)C)cc1)C2=O ZINC000098125371 657912366 /nfs/dbraw/zinc/91/23/66/657912366.db2.gz FVRIPISKHKSSHM-KAMYIIQDSA-N 0 0 309.365 3.420 10 30 DGEERN COc1cccc2c1OC/C(=C\c1ccccc1[N+](=O)[O-])C2=O ZINC000098125378 657912460 /nfs/dbraw/zinc/91/24/60/657912460.db2.gz QEHXSVJZLMODGW-FMIVXFBMSA-N 0 0 311.293 3.262 10 30 DGEERN C#CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886211 658062313 /nfs/dbraw/zinc/06/23/13/658062313.db2.gz JSVHXRLRTYBQTD-LJQANCHMSA-N 0 0 318.376 3.428 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc(F)cc2nccnc21 ZINC000191164599 658150537 /nfs/dbraw/zinc/15/05/37/658150537.db2.gz ZXUFSFIMVQYQNZ-QGZVFWFLSA-N 0 0 318.348 3.155 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2C)C1CC1 ZINC000179233439 658388706 /nfs/dbraw/zinc/38/87/06/658388706.db2.gz QXHJSOOYQHWRFF-KRWDZBQOSA-N 0 0 313.397 3.497 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1cc(Cl)ccc1C(=O)OC ZINC000067786714 658445398 /nfs/dbraw/zinc/44/53/98/658445398.db2.gz OFLWOKYCAJNPBH-JTQLQIEISA-N 0 0 312.749 3.013 10 30 DGEERN C=CCC[C@H](C)OC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000089318953 658651022 /nfs/dbraw/zinc/65/10/22/658651022.db2.gz VKLRITKSBSBYQJ-KSSFIOAISA-N 0 0 315.413 3.420 10 30 DGEERN COc1cc(OC)c(C/N=C/c2ccccc2O)c(OC)c1 ZINC000128000697 658706662 /nfs/dbraw/zinc/70/66/62/658706662.db2.gz GVYCNIUCXNRNFU-VCHYOVAHSA-N 0 0 301.342 3.037 10 30 DGEERN N#Cc1ccccc1N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000055190998 658916772 /nfs/dbraw/zinc/91/67/72/658916772.db2.gz FBYCIOVUEODHTB-RIYZIHGNSA-N 0 0 323.402 3.359 10 30 DGEERN CC(C)COC1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000055911072 658942130 /nfs/dbraw/zinc/94/21/30/658942130.db2.gz SBNFRNRWXGEYLN-BQYQJAHWSA-N 0 0 312.413 3.235 10 30 DGEERN CC(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000157710560 659093937 /nfs/dbraw/zinc/09/39/37/659093937.db2.gz WHYUCRIOEBJPBG-UHFFFAOYSA-N 0 0 302.161 3.357 10 30 DGEERN C#CCCOC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000170717839 659228625 /nfs/dbraw/zinc/22/86/25/659228625.db2.gz YXIYUOZPYGWNGT-UHFFFAOYSA-N 0 0 301.367 3.141 10 30 DGEERN CC(=O)[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000229211968 659244378 /nfs/dbraw/zinc/24/43/78/659244378.db2.gz CUEBNBOUAMNRFZ-LLVKDONJSA-N 0 0 307.191 3.126 10 30 DGEERN C#CCOc1ccccc1CN(C)Cc1ccc(Cl)nc1 ZINC000170953627 659251125 /nfs/dbraw/zinc/25/11/25/659251125.db2.gz UNEYHCCHGCTGBO-UHFFFAOYSA-N 0 0 300.789 3.379 10 30 DGEERN COc1ccccc1CCN(C)C(=O)/C=C/c1ccccc1C#N ZINC000171530278 659285703 /nfs/dbraw/zinc/28/57/03/659285703.db2.gz CIEWPUXITVBWOJ-VAWYXSNFSA-N 0 0 320.392 3.281 10 30 DGEERN C=C(C)COC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000172186584 659322013 /nfs/dbraw/zinc/32/20/13/659322013.db2.gz KQVFCRWQPDQFPU-UHFFFAOYSA-N 0 0 310.438 3.298 10 30 DGEERN C#CCCCOC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076871262 659339169 /nfs/dbraw/zinc/33/91/69/659339169.db2.gz OUJLXNWSPLOUDG-ZIAGYGMSSA-N 0 0 309.406 3.027 10 30 DGEERN C#C[C@@H](C)OC(=O)c1sc(C)c(Br)c1OC ZINC000174408909 659432312 /nfs/dbraw/zinc/43/23/12/659432312.db2.gz XEKRLTBNBGEZCG-ZCFIWIBFSA-N 0 0 303.177 3.006 10 30 DGEERN C#C[C@@H](C)OC(=O)COc1ccc(Br)cc1Cl ZINC000174419771 659433220 /nfs/dbraw/zinc/43/32/20/659433220.db2.gz CFALLVLFJOMYKQ-MRVPVSSYSA-N 0 0 317.566 3.046 10 30 DGEERN C=CCc1cc(C(=O)OCC[C@@H](C)OC)cc(OC)c1OC ZINC000174819140 659735840 /nfs/dbraw/zinc/73/58/40/659735840.db2.gz IMILZRKBTONYQG-GFCCVEGCSA-N 0 0 308.374 3.014 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Oc2ccc(C#N)cc2)s1 ZINC000175221111 659917661 /nfs/dbraw/zinc/91/76/61/659917661.db2.gz UPJCSVGLFKQOCM-SNVBAGLBSA-N 0 0 302.355 3.250 10 30 DGEERN C#CCC(C)(C)COC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000180358287 659960947 /nfs/dbraw/zinc/96/09/47/659960947.db2.gz MBQCDJFINLBISG-UHFFFAOYSA-N 0 0 313.397 3.015 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cccc(F)c1F ZINC000068680364 659962199 /nfs/dbraw/zinc/96/21/99/659962199.db2.gz ISPPIAKKFDVDLT-SNVBAGLBSA-N 0 0 303.264 3.209 10 30 DGEERN C#CCCCCC(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000180750765 659969433 /nfs/dbraw/zinc/96/94/33/659969433.db2.gz OGWDVDDXHJRTGW-UHFFFAOYSA-N 0 0 313.401 3.016 10 30 DGEERN C=C[C@H](CC)OC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000181238766 659988725 /nfs/dbraw/zinc/98/87/25/659988725.db2.gz LYYVJNLVTJRNDU-SNVBAGLBSA-N 0 0 309.318 3.124 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1ccc(C(=O)OC(C)C)cc1 ZINC000069353289 659990386 /nfs/dbraw/zinc/99/03/86/659990386.db2.gz WEFMAXIVLPANDP-CYBMUJFWSA-N 0 0 306.358 3.138 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1ccc(C(=O)OC(C)C)cc1 ZINC000069353290 659990483 /nfs/dbraw/zinc/99/04/83/659990483.db2.gz WEFMAXIVLPANDP-ZDUSSCGKSA-N 0 0 306.358 3.138 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000182006926 660030595 /nfs/dbraw/zinc/03/05/95/660030595.db2.gz NPHBBEGUJQADIY-AVWWHXKWSA-N 0 0 304.415 3.049 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1cccc(OC)c1OC ZINC000182291091 660040828 /nfs/dbraw/zinc/04/08/28/660040828.db2.gz BTPGAVWYLGQJTG-VQHVLOKHSA-N 0 0 314.337 3.314 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000183633016 660127862 /nfs/dbraw/zinc/12/78/62/660127862.db2.gz BGQUPQKXPVUQOW-CYBMUJFWSA-N 0 0 321.442 3.311 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccnc(O[C@H]2CCOC2)c1)C1CC1 ZINC000183692871 660130874 /nfs/dbraw/zinc/13/08/74/660130874.db2.gz MLBCZQRUDQDTIV-HOTGVXAUSA-N 0 0 317.385 3.151 10 30 DGEERN N#CC1(COC(=O)c2cc3c(s2)CCCC3)CCOCC1 ZINC000183911395 660146810 /nfs/dbraw/zinc/14/68/10/660146810.db2.gz YXVVYRCQDZSVLF-UHFFFAOYSA-N 0 0 305.399 3.104 10 30 DGEERN CCCCc1ccc(CC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183992132 660152075 /nfs/dbraw/zinc/15/20/75/660152075.db2.gz BWIDNIUTKKGPBD-UHFFFAOYSA-N 0 0 315.413 3.435 10 30 DGEERN C#C[C@@H](C)OC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187436964 661606892 /nfs/dbraw/zinc/60/68/92/661606892.db2.gz SFXTWCSLYQHSEC-SECBINFHSA-N 0 0 300.251 3.441 10 30 DGEERN COc1ccc(CCCC(=O)O[C@@H](C#N)C(C)C)c(OC)c1 ZINC000155327766 661844843 /nfs/dbraw/zinc/84/48/43/661844843.db2.gz VKBDUNKASSZYKG-INIZCTEOSA-N 0 0 305.374 3.118 10 30 DGEERN C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCOCC1 ZINC000156066406 661857466 /nfs/dbraw/zinc/85/74/66/661857466.db2.gz OERPNIUPEGRVHZ-ZDUSSCGKSA-N 0 0 317.385 3.074 10 30 DGEERN C=CCC[C@@H](OC(=O)Cc1ccc(NC(C)=O)cc1)C1CC1 ZINC000159617721 661891394 /nfs/dbraw/zinc/89/13/94/661891394.db2.gz LQEASOKXFBBBTC-QGZVFWFLSA-N 0 0 301.386 3.476 10 30 DGEERN C=CCC[C@@H](OC(=O)CSc1nncn1C(C)C)C1CC1 ZINC000159714075 661894021 /nfs/dbraw/zinc/89/40/21/661894021.db2.gz MVCFNZVTBOZYSP-CYBMUJFWSA-N 0 0 309.435 3.239 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000159745646 661894537 /nfs/dbraw/zinc/89/45/37/661894537.db2.gz WXLBJWPJXGCFAU-MRXNPFEDSA-N 0 0 301.386 3.290 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc2c(c1)OCCCO2 ZINC000187567366 661899198 /nfs/dbraw/zinc/89/91/98/661899198.db2.gz QWNYRYZKTKDBAV-SFHVURJKSA-N 0 0 320.385 3.234 10 30 DGEERN C=CCc1cc(C(=O)O[C@H](CC)CC#N)cc(OC)c1OC ZINC000187959856 661909459 /nfs/dbraw/zinc/90/94/59/661909459.db2.gz NCNWQOKCYMMISH-CQSZACIVSA-N 0 0 303.358 3.281 10 30 DGEERN C#Cc1cccc(N(C(=O)c2cn3ccnc3s2)C(C)C)c1 ZINC000188634972 661937476 /nfs/dbraw/zinc/93/74/76/661937476.db2.gz CGTQHLQPMUOVIS-UHFFFAOYSA-N 0 0 309.394 3.432 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(OC)cc1OCC1CC1 ZINC000190839942 662046958 /nfs/dbraw/zinc/04/69/58/662046958.db2.gz GKFDIAFQOJEARQ-CYBMUJFWSA-N 0 0 303.358 3.333 10 30 DGEERN CCCCCCCCS(=O)(=O)Cc1nnc(C)n1C1CC1 ZINC000190946664 662050104 /nfs/dbraw/zinc/05/01/04/662050104.db2.gz RPBXIFQQKKAAFP-UHFFFAOYSA-N 0 0 313.467 3.197 10 30 DGEERN CN(C)c1ccc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)cc1 ZINC000078162065 662054087 /nfs/dbraw/zinc/05/40/87/662054087.db2.gz LOOGLIPKBLQCFO-CMDGGOBGSA-N 0 0 316.364 3.168 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(OC)cc1OC ZINC000191137426 662055506 /nfs/dbraw/zinc/05/55/06/662055506.db2.gz HVTQGOVSJRSGSK-KRWDZBQOSA-N 0 0 308.374 3.089 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1c(CC)nn(C)c1CC)C(C)(C)C ZINC000192292466 662094331 /nfs/dbraw/zinc/09/43/31/662094331.db2.gz DTKPUQASBPUKKX-MRXNPFEDSA-N 0 0 304.434 3.069 10 30 DGEERN C#CCCCC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000192378250 662096314 /nfs/dbraw/zinc/09/63/14/662096314.db2.gz GOOBHCADWZTCLC-UHFFFAOYSA-N 0 0 321.424 3.426 10 30 DGEERN C#CC[C@H](OC(=O)CCCOc1ccc(OC)cc1)C1CC1 ZINC000079204986 662103606 /nfs/dbraw/zinc/10/36/06/662103606.db2.gz LRXJWBYZRKIQMS-KRWDZBQOSA-N 0 0 302.370 3.199 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1c(C)nc(SC)nc1C)C1CC1 ZINC000079204952 662103711 /nfs/dbraw/zinc/10/37/11/662103711.db2.gz YMPCYARPQIUBHX-OAHLLOKOSA-N 0 0 318.442 3.093 10 30 DGEERN Cc1ccc(OCC(=O)OC[C@@H](C#N)Cc2ccccc2)cc1 ZINC000079222544 662104657 /nfs/dbraw/zinc/10/46/57/662104657.db2.gz PXWSWISKNNAKOE-QGZVFWFLSA-N 0 0 309.365 3.300 10 30 DGEERN C[C@H](Oc1ccccc1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079223160 662104733 /nfs/dbraw/zinc/10/47/33/662104733.db2.gz QHEVRIOENONGEM-DOTOQJQBSA-N 0 0 309.365 3.380 10 30 DGEERN C#CC[C@H](OC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000192671721 662107638 /nfs/dbraw/zinc/10/76/38/662107638.db2.gz ACKPYFSKSGOBIR-KBPBESRZSA-N 0 0 311.422 3.271 10 30 DGEERN CC(C)(C)OC(=O)CCC(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000192700280 662108626 /nfs/dbraw/zinc/10/86/26/662108626.db2.gz NYYWQGDULUMGAE-HNNXBMFYSA-N 0 0 317.385 3.034 10 30 DGEERN C[C@H](O)c1nc2ccccc2n1CCOc1ccc(C#N)cc1 ZINC000192997611 662120179 /nfs/dbraw/zinc/12/01/79/662120179.db2.gz GUFAZFLXRHIZLQ-ZDUSSCGKSA-N 0 0 307.353 3.040 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000193368977 662131961 /nfs/dbraw/zinc/13/19/61/662131961.db2.gz VAXGCXQMNCZIEH-HBWSCVEGSA-N 0 0 318.804 3.368 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)c1ccccc1OCC#N ZINC000194179692 662159382 /nfs/dbraw/zinc/15/93/82/662159382.db2.gz UKHOOBDHBPDRFB-UHFFFAOYSA-N 0 0 324.380 3.260 10 30 DGEERN COc1cccc(CO[C@@H](C)C(=O)OCC(C)(C)CCC#N)c1 ZINC000195040854 662176954 /nfs/dbraw/zinc/17/69/54/662176954.db2.gz UIUIOVKDYYZKKS-AWEZNQCLSA-N 0 0 319.401 3.473 10 30 DGEERN CCCCO[C@H]1C[C@@H](OC(=O)c2cc(C#N)cn2C)C1(C)C ZINC000083780584 662196617 /nfs/dbraw/zinc/19/66/17/662196617.db2.gz FXXFIAKRTXOJBT-LSDHHAIUSA-N 0 0 304.390 3.037 10 30 DGEERN C#CC[C@@H](OC(=O)CCSc1ccccn1)c1ccccn1 ZINC000088809768 662235567 /nfs/dbraw/zinc/23/55/67/662235567.db2.gz DNKHNIDQESDUTH-OAHLLOKOSA-N 0 0 312.394 3.267 10 30 DGEERN CC(C)CCO[C@H](C)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089297329 662240917 /nfs/dbraw/zinc/24/09/17/662240917.db2.gz GIWAIJPLEQRMJA-KGLIPLIRSA-N 0 0 309.431 3.425 10 30 DGEERN N#C[C@H](COC(=O)Cc1cccc(F)c1)Cc1cccs1 ZINC000089289506 662241086 /nfs/dbraw/zinc/24/10/86/662241086.db2.gz HOGWLZFOXRIPKR-CYBMUJFWSA-N 0 0 303.358 3.355 10 30 DGEERN COc1cccc(C(=O)OC[C@H](C#N)Cc2cccs2)c1F ZINC000089297956 662241089 /nfs/dbraw/zinc/24/10/89/662241089.db2.gz MIFSABHWXKLQQM-NSHDSACASA-N 0 0 319.357 3.435 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000089319024 662241852 /nfs/dbraw/zinc/24/18/52/662241852.db2.gz NVEMMCKBTXVOGL-GXTWGEPZSA-N 0 0 309.431 3.400 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000089317788 662241905 /nfs/dbraw/zinc/24/19/05/662241905.db2.gz YKWVAMQHOZNRFM-HIFRSBDPSA-N 0 0 321.442 3.180 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000089319538 662241940 /nfs/dbraw/zinc/24/19/40/662241940.db2.gz PAWBFDNQXZISHW-UONOGXRCSA-N 0 0 305.374 3.172 10 30 DGEERN N#C[C@@H](COC(=O)COC1CCCCC1)Cc1ccc(F)cc1 ZINC000065494847 685055459 /nfs/dbraw/zinc/05/54/59/685055459.db2.gz FODYNIUIWAVDKK-HNNXBMFYSA-N 0 0 319.376 3.400 10 30 DGEERN N#Cc1ccc(CNC(=O)/C=C\c2ccnc(Cl)c2)c(F)c1 ZINC000255108160 685120734 /nfs/dbraw/zinc/12/07/34/685120734.db2.gz XQSMPGHEAMIHLS-RQOWECAXSA-N 0 0 315.735 3.075 10 30 DGEERN C=CCc1cc(CNc2ccc3[nH]nnc3c2)cc(OC)c1O ZINC000120494713 1177024363 /nfs/dbraw/zinc/02/43/63/1177024363.db2.gz XZTZUVLZTABSJF-UHFFFAOYSA-N 0 0 310.357 3.013 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000338186450 1177730361 /nfs/dbraw/zinc/73/03/61/1177730361.db2.gz VOHNHKUXVOOXOQ-INIZCTEOSA-N 0 0 321.392 3.178 10 30 DGEERN C=CCO[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000120087498 1197688473 /nfs/dbraw/zinc/68/84/73/1197688473.db2.gz FZXJRPBGSYORIL-CYBMUJFWSA-N 0 0 319.361 3.020 10 30 DGEERN C=C(Cl)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC000381573849 1197704650 /nfs/dbraw/zinc/70/46/50/1197704650.db2.gz YUCMOFMWJWWGNK-UHFFFAOYSA-N 0 0 305.559 3.199 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000098114896 1199198346 /nfs/dbraw/zinc/19/83/46/1199198346.db2.gz SSCCJSOVABFDKR-MSOLQXFVSA-N 0 0 320.392 3.345 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000098112507 1199198424 /nfs/dbraw/zinc/19/84/24/1199198424.db2.gz FNUNHMYLVOUPPF-SJORKVTESA-N 0 0 320.392 3.345 10 30 DGEERN CCO[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1 ZINC000123188644 1200275234 /nfs/dbraw/zinc/27/52/34/1200275234.db2.gz YPPFLLJSGPHIOL-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN C[C@H](Cn1ccnc1)Nc1cc(Br)ccc1C#N ZINC000123166609 1200275413 /nfs/dbraw/zinc/27/54/13/1200275413.db2.gz CGCHMZQDVJXASZ-SNVBAGLBSA-N 0 0 305.179 3.018 10 30 DGEERN CC(C)(C)NC(=O)CCNc1cc(Br)ccc1C#N ZINC000123402047 1200277886 /nfs/dbraw/zinc/27/78/86/1200277886.db2.gz QESGUEJGUUHYFQ-UHFFFAOYSA-N 0 0 324.222 3.037 10 30 DGEERN Cc1ccc(C#N)c(NCCNc2ncccc2C(F)(F)F)n1 ZINC000127788171 1200700919 /nfs/dbraw/zinc/70/09/19/1200700919.db2.gz PUKXXEAMQJONKC-UHFFFAOYSA-N 0 0 321.306 3.200 10 30 DGEERN C=CCOc1cccc(CNCc2cn(-c3ccccc3)nn2)c1 ZINC000152766028 1202595182 /nfs/dbraw/zinc/59/51/82/1202595182.db2.gz JIHMDMAGLZLDEX-UHFFFAOYSA-N 0 0 320.396 3.122 10 30 DGEERN N#Cc1cnc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000232460908 1202601423 /nfs/dbraw/zinc/60/14/23/1202601423.db2.gz XZYPGGUZNIHYKT-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(Br)ccc1C#N ZINC000234008614 1202603333 /nfs/dbraw/zinc/60/33/33/1202603333.db2.gz DMBFEXPGEIKKCY-VHSXEESVSA-N 0 0 324.222 3.036 10 30 DGEERN Cc1n[nH]c(C)c1CNc1cc(Br)ccc1C#N ZINC000235814574 1202604799 /nfs/dbraw/zinc/60/47/99/1202604799.db2.gz DDQZOOULHZLBKB-UHFFFAOYSA-N 0 0 305.179 3.273 10 30 DGEERN CC#CCCCC(=O)Nc1cccc(COCCOCC)c1 ZINC000185206240 1202844584 /nfs/dbraw/zinc/84/45/84/1202844584.db2.gz QRQNPIGZISKYMI-UHFFFAOYSA-N 0 0 303.402 3.372 10 30 DGEERN CCOc1ccc2c(c1)CN(C(=O)c1ccc(C#N)cc1C)CC2 ZINC000163823999 1203594862 /nfs/dbraw/zinc/59/48/62/1203594862.db2.gz WJPGMUHZNRVVOR-UHFFFAOYSA-N 0 0 320.392 3.464 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 ZINC000246345564 1203731036 /nfs/dbraw/zinc/73/10/36/1203731036.db2.gz HFPZGSXZKFKWGF-KNPMLCFXSA-N 0 0 312.369 3.130 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000249400246 1203815540 /nfs/dbraw/zinc/81/55/40/1203815540.db2.gz BYVQYCMTUPCOBQ-KFKAGJAMSA-N 0 0 318.376 3.158 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc(/C=C\C(=O)OCC)cc1 ZINC000255394556 1203843873 /nfs/dbraw/zinc/84/38/73/1203843873.db2.gz OJSZXJPOYVJVOK-XFXZXTDPSA-N 0 0 317.385 3.184 10 30 DGEERN COc1cccc(OC)c1COC(=O)/C=C\c1ccccc1C#N ZINC000255775064 1203853981 /nfs/dbraw/zinc/85/39/81/1203853981.db2.gz PVRMPNAILWQGLZ-KHPPLWFESA-N 0 0 323.348 3.332 10 30 DGEERN Cc1noc([C@@H](NC(=O)Nc2cccc(C#N)c2C)C(C)C)n1 ZINC000178573175 1204166976 /nfs/dbraw/zinc/16/69/76/1204166976.db2.gz IQWVJGKMLGPEFT-AWEZNQCLSA-N 0 0 313.361 3.077 10 30 DGEERN C[C@@H]1CO[C@@H](C)CN1c1ccc(C#N)c(Br)c1F ZINC000300428062 1204331103 /nfs/dbraw/zinc/33/11/03/1204331103.db2.gz RBGNMBZNGLJINZ-BDAKNGLRSA-N 0 0 313.170 3.073 10 30 DGEERN C/C(=C\c1ccc(C)cc1)C(=O)OCCNc1ncccc1C#N ZINC000588402271 1082143237 /nfs/dbraw/zinc/14/32/37/1082143237.db2.gz HELYERIHIIVPMW-NTCAYCPXSA-N 0 0 321.380 3.320 10 30 DGEERN COc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1F ZINC000588409685 1082167185 /nfs/dbraw/zinc/16/71/85/1082167185.db2.gz NNQYWQDORAVLGY-UTCJRWHESA-N 0 0 302.301 3.445 10 30 DGEERN CC(=O)Nc1ccc(C(=O)/C=C\c2cnn3ccccc23)cc1 ZINC000588419318 1082208368 /nfs/dbraw/zinc/20/83/68/1082208368.db2.gz DSESFPSPTKGVJV-YFHOEESVSA-N 0 0 305.337 3.189 10 30 DGEERN C#CCN(C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000588440409 1082286002 /nfs/dbraw/zinc/28/60/02/1082286002.db2.gz IMVMBFNWFLMKIV-BUHFOSPRSA-N 0 0 312.369 3.403 10 30 DGEERN CCc1ccc(CCOC(=O)c2ccc(C=NOC)cc2)nc1 ZINC000588467183 1082367059 /nfs/dbraw/zinc/36/70/59/1082367059.db2.gz CZGKMQLFOFBXPX-UHFFFAOYSA-N 0 0 312.369 3.024 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588551850 1082616770 /nfs/dbraw/zinc/61/67/70/1082616770.db2.gz WOEUIEXQFPXBSG-JEZWAEDTSA-N 0 0 319.357 3.380 10 30 DGEERN CON=Cc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000588575972 1082699085 /nfs/dbraw/zinc/69/90/85/1082699085.db2.gz WMQHOCZNHYFJRG-QGZVFWFLSA-N 0 0 324.380 3.229 10 30 DGEERN Cn1c(=O)sc2cc(/C=C3\Cc4ccccc4C3=O)ccc21 ZINC000588590217 1082824317 /nfs/dbraw/zinc/82/43/17/1082824317.db2.gz MVLGRLPIUPGLOQ-MDWZMJQESA-N 0 0 307.374 3.422 10 30 DGEERN N#Cc1cccc2c1CN(Cc1ncc(Br)s1)C2 ZINC000713704879 1086567404 /nfs/dbraw/zinc/56/74/04/1086567404.db2.gz ACJWHELVTHCYBQ-UHFFFAOYSA-N 0 0 320.215 3.293 10 30 DGEERN CCO[C@H](C(=O)OCC#Cc1cccc(OC)c1)c1ccccc1 ZINC000176608776 1088197447 /nfs/dbraw/zinc/19/74/47/1088197447.db2.gz QGIISTLCDLTTPF-IBGZPJMESA-N 0 0 324.376 3.368 10 30 DGEERN C#CCOc1ccc(Br)cc1CNCC(C)(C)C#N ZINC000168921803 1089425206 /nfs/dbraw/zinc/42/52/06/1089425206.db2.gz MUPQGNYBFPAXJW-UHFFFAOYSA-N 0 0 321.218 3.100 10 30 DGEERN N#Cc1cc(F)cc(NC(=O)c2ccnc(Br)c2)c1 ZINC000720229971 1091503974 /nfs/dbraw/zinc/50/39/74/1091503974.db2.gz JAJNYTHBXQOGJA-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN COc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1-c1ccccc1 ZINC000108829070 1094664059 /nfs/dbraw/zinc/66/40/59/1094664059.db2.gz LVDGOVJQESUJTF-KRWDZBQOSA-N 0 0 306.365 3.394 10 30 DGEERN CN(C)Cc1csc(CNc2cccc(Cl)c2C#N)n1 ZINC000722392405 1100048233 /nfs/dbraw/zinc/04/82/33/1100048233.db2.gz VBHAQAPDLAPREE-UHFFFAOYSA-N 0 0 306.822 3.342 10 30 DGEERN CCc1c[nH]c(CNc2ccc(C#N)c(Br)c2)n1 ZINC000719132095 1104827998 /nfs/dbraw/zinc/82/79/98/1104827998.db2.gz GHIGZUNYOALYSK-UHFFFAOYSA-N 0 0 305.179 3.218 10 30 DGEERN C#CCN(C(=O)Cc1ccc(Br)cc1)C(C)(C)C ZINC000723028138 1105334696 /nfs/dbraw/zinc/33/46/96/1105334696.db2.gz QNPTYKADTOGZLY-UHFFFAOYSA-N 0 0 308.219 3.252 10 30 DGEERN N#Cc1cc(NC(=O)c2coc(Br)c2)ccc1F ZINC000076825799 185045403 /nfs/dbraw/zinc/04/54/03/185045403.db2.gz CFVITJQOSMMXCY-UHFFFAOYSA-N 0 0 309.094 3.305 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000278445778 214158662 /nfs/dbraw/zinc/15/86/62/214158662.db2.gz TZAJMHSFQMYAFM-UHFFFAOYSA-N 0 0 323.314 3.206 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000278560345 214237519 /nfs/dbraw/zinc/23/75/19/214237519.db2.gz PPHWFMGJPLJYNR-TZMCWYRMSA-N 0 0 318.398 3.001 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000078827660 185116663 /nfs/dbraw/zinc/11/66/63/185116663.db2.gz ZUDVPXDAXSKOOP-UHFFFAOYSA-N 0 0 324.402 3.364 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000278705582 214341109 /nfs/dbraw/zinc/34/11/09/214341109.db2.gz BLAXNAMFMIOAFR-UHFFFAOYSA-N 0 0 310.397 3.191 10 30 DGEERN C=CCN(Cc1noc(C(C)C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287189 432005010 /nfs/dbraw/zinc/00/50/10/432005010.db2.gz LNYRCIYIPKEFBR-UHFFFAOYSA-N 0 0 316.361 3.289 10 30 DGEERN N#Cc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202266 185287067 /nfs/dbraw/zinc/28/70/67/185287067.db2.gz BFMKBVXZCQRXMO-MRXNPFEDSA-N 0 0 324.771 3.474 10 30 DGEERN CC(C)(CC#CI)O[C@@H]1CCCCO1 ZINC000090560438 185303607 /nfs/dbraw/zinc/30/36/07/185303607.db2.gz QTEXONRNODECRC-SNVBAGLBSA-N 0 0 308.159 3.094 10 30 DGEERN Cc1cccc(C2=CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 ZINC000092344304 185313435 /nfs/dbraw/zinc/31/34/35/185313435.db2.gz SJLDTCMHPNRJFL-UHFFFAOYSA-N 0 0 305.381 3.135 10 30 DGEERN CCc1nc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)sc1C ZINC000330139865 529742219 /nfs/dbraw/zinc/74/22/19/529742219.db2.gz PDRFSQQJSBRAED-ZWNOBZJWSA-N 0 0 320.418 3.113 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CC#N ZINC000064346390 432008472 /nfs/dbraw/zinc/00/84/72/432008472.db2.gz KRFRIIFLCYDTNK-DTWKUNHWSA-N 0 0 301.173 3.179 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)[C@@]3(C)CCCNC3=O)cc2o1 ZINC000330323484 282316711 /nfs/dbraw/zinc/31/67/11/282316711.db2.gz SWWJLMMQSUFRBA-INIZCTEOSA-N 0 0 316.361 3.238 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000277758713 213744802 /nfs/dbraw/zinc/74/48/02/213744802.db2.gz SCGIDNWOSJPGBQ-UHFFFAOYSA-N 0 0 320.186 3.059 10 30 DGEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000277667878 213678182 /nfs/dbraw/zinc/67/81/82/213678182.db2.gz MEUCLTRHKHBBRZ-VQTJNVASSA-N 0 0 323.436 3.242 10 30 DGEERN Cc1nnc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)c(C#N)c1C ZINC000277626919 213644003 /nfs/dbraw/zinc/64/40/03/213644003.db2.gz CTWCFKMROGXSNO-SECBINFHSA-N 0 0 309.325 3.170 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCOC[C@H]2C)c1 ZINC000277567514 213623089 /nfs/dbraw/zinc/62/30/89/213623089.db2.gz SGNFSAOTAYLWTN-CJNGLKHVSA-N 0 0 304.390 3.188 10 30 DGEERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ccc(C#N)o1)CCCC2 ZINC000275527299 282590732 /nfs/dbraw/zinc/59/07/32/282590732.db2.gz LOYCLLQVJAXRTF-KRWDZBQOSA-N 0 0 310.401 3.101 10 30 DGEERN C=CC[C@H](C(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccccc1 ZINC000277411209 213506458 /nfs/dbraw/zinc/50/64/58/213506458.db2.gz HXDTUTWASFJSBW-INIZCTEOSA-N 0 0 308.381 3.032 10 30 DGEERN COc1cccc([C@@H]2CN(Cc3ccccc3C#N)CCO2)c1 ZINC000177901669 186201381 /nfs/dbraw/zinc/20/13/81/186201381.db2.gz YQRADVQWEMZAOG-IBGZPJMESA-N 0 0 308.381 3.140 10 30 DGEERN CCC1(CC)Oc2ccc(NC(=O)c3ccnc(C#N)c3)cc2O1 ZINC000194300204 186278847 /nfs/dbraw/zinc/27/88/47/186278847.db2.gz HCMWJMUWRBJTRN-UHFFFAOYSA-N 0 0 323.352 3.493 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067046820 432025797 /nfs/dbraw/zinc/02/57/97/432025797.db2.gz PVBIPIOBXAVARZ-NSHDSACASA-N 0 0 303.412 3.096 10 30 DGEERN Cc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000072553615 191191526 /nfs/dbraw/zinc/19/15/26/191191526.db2.gz JWFPDSSWVWWWQQ-UHFFFAOYSA-N 0 0 317.776 3.184 10 30 DGEERN CC(C)c1nc(C2(NC(=O)c3ccc(C#N)cc3)CCCC2)no1 ZINC000175177469 198439762 /nfs/dbraw/zinc/43/97/62/198439762.db2.gz NHKCUZXICZFDCZ-UHFFFAOYSA-N 0 0 324.384 3.264 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)ccn1 ZINC000195116516 283090646 /nfs/dbraw/zinc/09/06/46/283090646.db2.gz MMQQISIPZHWPPW-CQSZACIVSA-N 0 0 313.357 3.059 10 30 DGEERN COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000005361050 181234241 /nfs/dbraw/zinc/23/42/41/181234241.db2.gz ITPWWQLETKARBS-HWKANZROSA-N 0 0 303.270 3.101 10 30 DGEERN CC(=O)Nc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000005481085 181248669 /nfs/dbraw/zinc/24/86/69/181248669.db2.gz DPTNUCXLSXTHNA-UHFFFAOYSA-N 0 0 313.744 3.422 10 30 DGEERN CCNC(=S)N=NCc1cccc(OCc2ccccc2)c1 ZINC000005548550 181256235 /nfs/dbraw/zinc/25/62/35/181256235.db2.gz AILLLNAGIOUBEC-UNOMPAQXSA-N 0 0 313.426 3.495 10 30 DGEERN N#Cc1c(COc2ccccc2-c2nc[nH]n2)cn2ccccc12 ZINC000165350195 432055820 /nfs/dbraw/zinc/05/58/20/432055820.db2.gz KANCZPSCTRVWFD-UHFFFAOYSA-N 0 0 315.336 3.175 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1c(F)cccc1Cl ZINC000081551260 192289933 /nfs/dbraw/zinc/28/99/33/192289933.db2.gz SFRXRPFBCHTAEL-SECBINFHSA-N 0 0 305.740 3.180 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ncccc1Cl ZINC000179668525 432066254 /nfs/dbraw/zinc/06/62/54/432066254.db2.gz OLKJDHDXSUFLSV-SNVBAGLBSA-N 0 0 301.733 3.013 10 30 DGEERN C#CCOc1ccc([C@@H](C)N[C@H]2CCCn3nc(CC)nc32)cc1 ZINC000167784075 432066376 /nfs/dbraw/zinc/06/63/76/432066376.db2.gz WTIHYCORYIXSBB-PBHICJAKSA-N 0 0 324.428 3.038 10 30 DGEERN N#Cc1nccn1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000179880808 199090387 /nfs/dbraw/zinc/09/03/87/199090387.db2.gz CRSAEDUEPVDVKN-LJQANCHMSA-N 0 0 322.412 3.193 10 30 DGEERN N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H](C#N)C1CC1 ZINC000179996188 432076359 /nfs/dbraw/zinc/07/63/59/432076359.db2.gz FTTQLPHDTQCSFS-MRXNPFEDSA-N 0 0 317.348 3.383 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180697870 199198292 /nfs/dbraw/zinc/19/82/92/199198292.db2.gz WFEAFCIQHDDNFC-MRXNPFEDSA-N 0 0 309.373 3.349 10 30 DGEERN N#Cc1c(N)cccc1[S@@](=O)c1ccc(Br)cc1 ZINC000005932916 181297699 /nfs/dbraw/zinc/29/76/99/181297699.db2.gz MTUWDIYVZCDHMK-GOSISDBHSA-N 0 0 321.199 3.070 10 30 DGEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000170709926 432078088 /nfs/dbraw/zinc/07/80/88/432078088.db2.gz QCTZWFPOMLMYSK-AWEZNQCLSA-N 0 0 317.389 3.190 10 30 DGEERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000185321449 199838228 /nfs/dbraw/zinc/83/82/28/199838228.db2.gz LNUICEQDWYOKKC-ZWKOTPCHSA-N 0 0 312.413 3.220 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCC1 ZINC000276504777 212924516 /nfs/dbraw/zinc/92/45/16/212924516.db2.gz SGWXLRIJFVUTQT-UHFFFAOYSA-N 0 0 300.402 3.146 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccnc1-c1csc(C)c1 ZINC000189207509 200364047 /nfs/dbraw/zinc/36/40/47/200364047.db2.gz LBZLUAXHNDQEHG-CYBMUJFWSA-N 0 0 317.414 3.177 10 30 DGEERN C[C@H](CSCc1ccccc1)C(=O)Nc1cc(C#N)ccn1 ZINC000436000561 238382584 /nfs/dbraw/zinc/38/25/84/238382584.db2.gz MBNIFWJHWXKYAU-CYBMUJFWSA-N 0 0 311.410 3.461 10 30 DGEERN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccnc(C#N)c2)s1 ZINC000193336740 201033884 /nfs/dbraw/zinc/03/38/84/201033884.db2.gz YEYFPWKNWBYYKE-LLVKDONJSA-N 0 0 314.414 3.114 10 30 DGEERN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C[C@@H](C)C#N ZINC000477762023 291270840 /nfs/dbraw/zinc/27/08/40/291270840.db2.gz HASMMMIZQRQGJB-TVQRCGJNSA-N 0 0 315.200 3.299 10 30 DGEERN COc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1C#N ZINC000194506428 201240837 /nfs/dbraw/zinc/24/08/37/201240837.db2.gz CWYAIQBDUFVDTL-KGLIPLIRSA-N 0 0 324.380 3.212 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000195031930 201330669 /nfs/dbraw/zinc/33/06/69/201330669.db2.gz XFZVUBKKJLVMED-SNVBAGLBSA-N 0 0 319.286 3.463 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000271827822 209247504 /nfs/dbraw/zinc/24/75/04/209247504.db2.gz RGPRHLZKFRXCEO-DOMZBBRYSA-N 0 0 306.362 3.143 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000275465478 212351555 /nfs/dbraw/zinc/35/15/55/212351555.db2.gz NTEREIMSNLIHRR-SCLBCKFNSA-N 0 0 321.465 3.353 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000275465474 212351246 /nfs/dbraw/zinc/35/12/46/212351246.db2.gz NTEREIMSNLIHRR-FZKQIMNGSA-N 0 0 321.465 3.353 10 30 DGEERN CCOCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091209263 193019281 /nfs/dbraw/zinc/01/92/81/193019281.db2.gz TWKOWJJOWBKGGQ-UHFFFAOYSA-N 0 0 323.396 3.061 10 30 DGEERN CN(Cc1cc(C#N)cs1)Cc1cn(C)nc1C(F)(F)F ZINC000092069163 193151638 /nfs/dbraw/zinc/15/16/38/193151638.db2.gz HCXZGSBXQFWEDB-UHFFFAOYSA-N 0 0 314.336 3.004 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000451172456 241031187 /nfs/dbraw/zinc/03/11/87/241031187.db2.gz WPRDGURYDJGHFQ-CVEARBPZSA-N 0 0 307.397 3.353 10 30 DGEERN C=CCC1(CNS(=O)(=O)C[C@H]2CCCC2(F)F)CCCC1 ZINC000451960129 241285618 /nfs/dbraw/zinc/28/56/18/241285618.db2.gz OVLVJSLLMSVZJA-CYBMUJFWSA-N 0 0 321.433 3.478 10 30 DGEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1Br ZINC000080980598 283907227 /nfs/dbraw/zinc/90/72/27/283907227.db2.gz HWSWTMUTNGHLHW-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000081549220 283920165 /nfs/dbraw/zinc/92/01/65/283920165.db2.gz NDLNEJRUIKRGNO-UHFFFAOYSA-N 0 0 307.275 3.254 10 30 DGEERN C=C(C)Cn1c(N(C)C[C@@H](C)CC)nnc1[C@]1(C)CCCO1 ZINC000453463659 241795144 /nfs/dbraw/zinc/79/51/44/241795144.db2.gz JBVAPIFJCSPMQN-YOEHRIQHSA-N 0 0 306.454 3.362 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CC(C(C)(C)C)C2)cc1 ZINC000454534238 241973357 /nfs/dbraw/zinc/97/33/57/241973357.db2.gz XCAYREXMIFCWKL-UHFFFAOYSA-N 0 0 315.417 3.112 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000454689426 242010468 /nfs/dbraw/zinc/01/04/68/242010468.db2.gz MDOKIBCCDSDNBK-INIZCTEOSA-N 0 0 306.381 3.095 10 30 DGEERN CCC(CC)NC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135333280 432112181 /nfs/dbraw/zinc/11/21/81/432112181.db2.gz OFTCSDSUSDFHJL-GFCCVEGCSA-N 0 0 320.458 3.493 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000455320592 242168294 /nfs/dbraw/zinc/16/82/94/242168294.db2.gz HQKLZLFKUHFDBB-HNNXBMFYSA-N 0 0 316.449 3.075 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000455359337 242178075 /nfs/dbraw/zinc/17/80/75/242178075.db2.gz AVTOLSOGCJZCOP-BBRMVZONSA-N 0 0 302.418 3.232 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCCc1nccnc1C ZINC000455374146 242182847 /nfs/dbraw/zinc/18/28/47/242182847.db2.gz BCHPSOWEJQVHMW-UHFFFAOYSA-N 0 0 310.401 3.268 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000455381783 242185566 /nfs/dbraw/zinc/18/55/66/242185566.db2.gz KBKKUQPCZNXELY-JSGCOSHPSA-N 0 0 312.360 3.331 10 30 DGEERN C=C(CC)CNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000455517241 242223309 /nfs/dbraw/zinc/22/33/09/242223309.db2.gz DVCMOLPQCJURSO-CJNGLKHVSA-N 0 0 306.381 3.263 10 30 DGEERN C=CC(C)(C)CNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000456121782 242355100 /nfs/dbraw/zinc/35/51/00/242355100.db2.gz YFVNVVVZZHGXQW-UHFFFAOYSA-N 0 0 323.383 3.341 10 30 DGEERN C=CCC[C@H](NC(=O)c1coc2cc(F)ccc12)C(=O)OCC ZINC000456609637 242506656 /nfs/dbraw/zinc/50/66/56/242506656.db2.gz OWULRPQTGHIZGA-AWEZNQCLSA-N 0 0 319.332 3.200 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458041120 242945976 /nfs/dbraw/zinc/94/59/76/242945976.db2.gz HLQOUTAEJJLTNI-VHRBIJSZSA-N 0 0 309.431 3.040 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@](O)(C(F)F)C1)c1ccccc1 ZINC000458577448 243094441 /nfs/dbraw/zinc/09/44/41/243094441.db2.gz OVAASVAHZZOACN-WMLDXEAASA-N 0 0 324.371 3.105 10 30 DGEERN CC(C)(CC#N)CNC(=O)NCCOCc1ccc(Cl)cc1 ZINC000458587012 243097152 /nfs/dbraw/zinc/09/71/52/243097152.db2.gz KLEOABGDCGWVME-UHFFFAOYSA-N 0 0 323.824 3.096 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC/C=C/CC ZINC000458979618 243218896 /nfs/dbraw/zinc/21/88/96/243218896.db2.gz RALZPGJVLLNHBD-AATRIKPKSA-N 0 0 303.362 3.259 10 30 DGEERN C=CC[C@@H]1N(C(=O)Nc2nnc(OC)s2)CCCC1(C)C ZINC000282841776 335000476 /nfs/dbraw/zinc/00/04/76/335000476.db2.gz OVFBRKDHLHIFPS-JTQLQIEISA-N 0 0 310.423 3.145 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1ccccc1OC(F)F ZINC000191574895 335001414 /nfs/dbraw/zinc/00/14/14/335001414.db2.gz OWLDRUIEDWXOFK-UHFFFAOYSA-N 0 0 312.360 3.438 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCSC[C@@H]1C ZINC000460953677 243574849 /nfs/dbraw/zinc/57/48/49/243574849.db2.gz AVCKDMLVJXCCQI-AWEZNQCLSA-N 0 0 308.495 3.385 10 30 DGEERN C=CCCCNC(=O)c1ccccc1OCc1cscn1 ZINC000468367241 244037543 /nfs/dbraw/zinc/03/75/43/244037543.db2.gz HKBIHOMIZIKKTK-UHFFFAOYSA-N 0 0 302.399 3.418 10 30 DGEERN C=CCC[C@@H](O)CN1CCN(CC(F)(F)F)c2ccccc21 ZINC000472569683 244309642 /nfs/dbraw/zinc/30/96/42/244309642.db2.gz ITTJNRYCEFXCEI-CYBMUJFWSA-N 0 0 314.351 3.202 10 30 DGEERN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(C#N)cc1C ZINC000119701744 284149200 /nfs/dbraw/zinc/14/92/00/284149200.db2.gz RMWUCVQGEHDJEI-UHFFFAOYSA-N 0 0 307.353 3.386 10 30 DGEERN N#Cc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000093532508 193266512 /nfs/dbraw/zinc/26/65/12/193266512.db2.gz FNHWJXHZENQXEM-UHFFFAOYSA-N 0 0 312.213 3.468 10 30 DGEERN COc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000093548744 193267636 /nfs/dbraw/zinc/26/76/36/193267636.db2.gz PXHUZCWKAPEVFJ-NSHDSACASA-N 0 0 314.316 3.112 10 30 DGEERN C=CCCCN(C)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000274998178 212065707 /nfs/dbraw/zinc/06/57/07/212065707.db2.gz GGCMRUQXIABNHG-UHFFFAOYSA-N 0 0 320.824 3.334 10 30 DGEERN N#Cc1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)o1 ZINC000093838459 193315195 /nfs/dbraw/zinc/31/51/95/193315195.db2.gz AQVKVPNFJOUYIZ-CQSZACIVSA-N 0 0 302.761 3.458 10 30 DGEERN N#Cc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)o1 ZINC000093842973 193315574 /nfs/dbraw/zinc/31/55/74/193315574.db2.gz DFFKSLFYJQNHHN-GOSISDBHSA-N 0 0 310.397 3.375 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000479267218 244647691 /nfs/dbraw/zinc/64/76/91/244647691.db2.gz RGPKFQPQLNPQFH-OAHLLOKOSA-N 0 0 319.420 3.324 10 30 DGEERN Cn1cccc1[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093845395 193318021 /nfs/dbraw/zinc/31/80/21/193318021.db2.gz LWBNGMBQGURELR-GOSISDBHSA-N 0 0 319.412 3.272 10 30 DGEERN COC(=O)[C@H](C)N(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000190071568 432120966 /nfs/dbraw/zinc/12/09/66/432120966.db2.gz WHZOGDJLBBLYTP-ZDUSSCGKSA-N 0 0 305.805 3.108 10 30 DGEERN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093867465 193321660 /nfs/dbraw/zinc/32/16/60/193321660.db2.gz RZETZFFNIBOVJR-LIRRHRJNSA-N 0 0 302.381 3.399 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000094068322 193343626 /nfs/dbraw/zinc/34/36/26/193343626.db2.gz WLVFOAQURXPBCN-HUUCEWRRSA-N 0 0 314.429 3.499 10 30 DGEERN C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC1CCCCC1 ZINC000007856893 181502836 /nfs/dbraw/zinc/50/28/36/181502836.db2.gz JQTSRKQVELVPFT-NSHDSACASA-N 0 0 306.793 3.428 10 30 DGEERN N#Cc1ccsc1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487861426 245114108 /nfs/dbraw/zinc/11/41/08/245114108.db2.gz SBTGPNXXIIAEBE-AWEZNQCLSA-N 0 0 314.435 3.380 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cc(-c2ccsc2)nn1C)OCC ZINC000488302591 245174424 /nfs/dbraw/zinc/17/44/24/245174424.db2.gz XMFHNWRRPQDXDB-CQSZACIVSA-N 0 0 319.430 3.458 10 30 DGEERN C=CCOc1ccccc1NC(=S)NC(=O)c1ccccc1 ZINC000009696989 181636202 /nfs/dbraw/zinc/63/62/02/181636202.db2.gz BVFMSBVKVYFAKT-UHFFFAOYSA-N 0 0 312.394 3.378 10 30 DGEERN COc1cc(/N=C2/c3cccc4c3N(CCC4)C2=O)cc(OC)c1 ZINC000013865087 181908073 /nfs/dbraw/zinc/90/80/73/181908073.db2.gz LKFIXXRCZOPEIP-JZJYNLBNSA-N 0 0 322.364 3.117 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000135083701 335019755 /nfs/dbraw/zinc/01/97/55/335019755.db2.gz OOXOYPDOVLAJMH-UHFFFAOYSA-N 0 0 322.361 3.040 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccccc1N(C)C ZINC000128557836 284379248 /nfs/dbraw/zinc/37/92/48/284379248.db2.gz GINAHJRUEGDPEN-CQSZACIVSA-N 0 0 323.396 3.055 10 30 DGEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000019471946 182124723 /nfs/dbraw/zinc/12/47/23/182124723.db2.gz YVPALCUDMQUVLN-LZYBPNLTSA-N 0 0 323.146 3.493 10 30 DGEERN N/C(=N\O)c1ccccc1Oc1cccc(Br)c1 ZINC000020076291 182184944 /nfs/dbraw/zinc/18/49/44/182184944.db2.gz SAQJMUBCVQHZAR-UHFFFAOYSA-N 0 0 307.147 3.336 10 30 DGEERN Cc1ccccc1OCCN(C)C(=O)c1ccc(C#N)cc1C ZINC000160093600 197385573 /nfs/dbraw/zinc/38/55/73/197385573.db2.gz KQQKGYDEUMMATD-UHFFFAOYSA-N 0 0 308.381 3.326 10 30 DGEERN C=CCCCCCCCCCOCCOCCOCCO ZINC000022067385 182307815 /nfs/dbraw/zinc/30/78/15/182307815.db2.gz SNQQBXFXPDCEIT-UHFFFAOYSA-N 0 0 302.455 3.335 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000494407210 246144668 /nfs/dbraw/zinc/14/46/68/246144668.db2.gz SOPCVOBWHDOMOZ-LBPRGKRZSA-N 0 0 311.307 3.074 10 30 DGEERN COc1ccc(CSCCC(=O)NC2CCCC2)cc1C#N ZINC000135320718 284471329 /nfs/dbraw/zinc/47/13/29/284471329.db2.gz HZMVMCIUQRZMDD-UHFFFAOYSA-N 0 0 318.442 3.249 10 30 DGEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@H](c2ccccc2Cl)O1 ZINC000100297287 193797980 /nfs/dbraw/zinc/79/79/80/193797980.db2.gz HOXUGHDDNZEASF-INIZCTEOSA-N 0 0 314.772 3.272 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000181632182 432139811 /nfs/dbraw/zinc/13/98/11/432139811.db2.gz OVPMUYGYNZRDSO-UHFFFAOYSA-N 0 0 318.340 3.296 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000274346191 211534448 /nfs/dbraw/zinc/53/44/48/211534448.db2.gz FICLHKBTNQYCRG-DOTOQJQBSA-N 0 0 315.413 3.089 10 30 DGEERN N#Cc1cc(N)cnc1Nc1cc(Br)ccc1F ZINC000037759123 182924233 /nfs/dbraw/zinc/92/42/33/182924233.db2.gz DADWYFMVRQVWTL-UHFFFAOYSA-N 0 0 307.126 3.181 10 30 DGEERN N#C[C@H](NCC(F)(F)F)c1ccc(Br)cc1F ZINC000037971218 182945721 /nfs/dbraw/zinc/94/57/21/182945721.db2.gz WTOBFWWRUHCMOX-VIFPVBQESA-N 0 0 311.076 3.305 10 30 DGEERN COc1ccc(/N=C/c2cc(Br)c(N(C)C)o2)cn1 ZINC000039127201 183014013 /nfs/dbraw/zinc/01/40/13/183014013.db2.gz BDVSIPBBCUWWRF-OVCLIPMQSA-N 0 0 324.178 3.262 10 30 DGEERN CC(C)(C)c1cc(/C=N\n2cnnc2)cc(C(C)(C)C)c1O ZINC000039771595 183021536 /nfs/dbraw/zinc/02/15/36/183021536.db2.gz FLAUATAHGUNGOJ-UKWGHVSLSA-N 0 0 300.406 3.461 10 30 DGEERN C=CCNc1ncnc(N(CC)c2cccc(C)c2)c1[N+](=O)[O-] ZINC000040572226 183104680 /nfs/dbraw/zinc/10/46/80/183104680.db2.gz QEJKNBUBTVKQGT-UHFFFAOYSA-N 0 0 313.361 3.449 10 30 DGEERN C=CCNc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040598656 183107862 /nfs/dbraw/zinc/10/78/62/183107862.db2.gz ASCRDEDHVIPXBV-UHFFFAOYSA-N 0 0 322.328 3.275 10 30 DGEERN CC[C@@H](O)CN(Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC000153367547 284668395 /nfs/dbraw/zinc/66/83/95/284668395.db2.gz VVDIENVJIDVKFL-GOSISDBHSA-N 0 0 310.397 3.344 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000274271571 211474473 /nfs/dbraw/zinc/47/44/73/211474473.db2.gz BKABPUIVNXJTLL-OAHLLOKOSA-N 0 0 309.413 3.359 10 30 DGEERN CC(C)[C@@H](O)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000159507205 197358688 /nfs/dbraw/zinc/35/86/88/197358688.db2.gz JIQDTSCIIVCHTA-NEPJUHHUSA-N 0 0 315.200 3.081 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)c1oc(C2CC2)nc1C ZINC000273566228 210874814 /nfs/dbraw/zinc/87/48/14/210874814.db2.gz FWEGAKKZXWPCAR-UHFFFAOYSA-N 0 0 314.316 3.264 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000273485543 210811531 /nfs/dbraw/zinc/81/15/31/210811531.db2.gz NDUKNYHYAVEZGF-MRXNPFEDSA-N 0 0 305.393 3.081 10 30 DGEERN N#Cc1cc(Oc2cccc(I)c2)ccn1 ZINC000061811539 184188381 /nfs/dbraw/zinc/18/83/81/184188381.db2.gz CUPBBZZLLIHDIR-UHFFFAOYSA-N 0 0 322.105 3.350 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000269352200 207477570 /nfs/dbraw/zinc/47/75/70/207477570.db2.gz GROKCVNSDWRAGO-OAHLLOKOSA-N 0 0 309.475 3.316 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC([C@@H](C)O)CC2)c1 ZINC000117453809 194825058 /nfs/dbraw/zinc/82/50/58/194825058.db2.gz MTCYHLQESQWWAT-CQSZACIVSA-N 0 0 318.417 3.266 10 30 DGEERN CCc1cc(O)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000191018294 207634209 /nfs/dbraw/zinc/63/42/09/207634209.db2.gz NWVWJUQFIUADJT-GFCCVEGCSA-N 0 0 310.353 3.232 10 30 DGEERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C#N)cc1 ZINC000174080197 252668247 /nfs/dbraw/zinc/66/82/47/252668247.db2.gz GTRAJWXDBNHNDZ-UHFFFAOYSA-N 0 0 309.325 3.442 10 30 DGEERN COC(=O)[C@@H](NC/C=C/c1ccccc1)c1cccc(C#N)c1 ZINC000176791331 252708939 /nfs/dbraw/zinc/70/89/39/252708939.db2.gz DTIRHJZRPKIQJE-OPUMOTSWSA-N 0 0 306.365 3.075 10 30 DGEERN C[C@@H](CCO)Nc1c(Br)cc(Cl)cc1C#N ZINC000309814083 252905519 /nfs/dbraw/zinc/90/55/19/252905519.db2.gz ZYMQQWBLZQBTSS-ZETCQYMHSA-N 0 0 303.587 3.157 10 30 DGEERN CC(C)Oc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1C#N ZINC000157788671 197215472 /nfs/dbraw/zinc/21/54/72/197215472.db2.gz SLOGSCSVGYVYTO-LBPRGKRZSA-N 0 0 319.430 3.315 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000157771303 197214629 /nfs/dbraw/zinc/21/46/29/197214629.db2.gz GBURRXZTQXZDKM-OAHLLOKOSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343234389 254118771 /nfs/dbraw/zinc/11/87/71/254118771.db2.gz JSPSTPIIKKJVKE-DYVFJYSZSA-N 0 0 300.308 3.149 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000156684555 197133267 /nfs/dbraw/zinc/13/32/67/197133267.db2.gz XGNLXACZNFVFRL-ZDUSSCGKSA-N 0 0 323.400 3.390 10 30 DGEERN C[C@H](CO)[C@H](C)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000156649976 197130408 /nfs/dbraw/zinc/13/04/08/197130408.db2.gz KWAZXBZBIKIRFT-BDAKNGLRSA-N 0 0 307.756 3.328 10 30 DGEERN Cc1ccc(N=Nc2c(O)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000100101874 257121366 /nfs/dbraw/zinc/12/13/66/257121366.db2.gz ATXLALDFCMZNHY-HTXNQAPBSA-N 0 0 307.309 3.315 10 30 DGEERN CC[C@H](O)CN(Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000121045530 195286988 /nfs/dbraw/zinc/28/69/88/195286988.db2.gz XNNOAZVGDQNECQ-SFHVURJKSA-N 0 0 310.397 3.344 10 30 DGEERN COc1ccc2c(CC(=O)N[C@@](C)(C#N)C(C)C)coc2c1 ZINC000120707192 533238030 /nfs/dbraw/zinc/23/80/30/533238030.db2.gz UAFUMCBUOVHZSL-KRWDZBQOSA-N 0 0 300.358 3.038 10 30 DGEERN C=C(C)CS(=O)(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000452023629 533522676 /nfs/dbraw/zinc/52/26/76/533522676.db2.gz OGRZYYANRNWSNG-UHFFFAOYSA-N 0 0 311.422 3.131 10 30 DGEERN C[C@H](CC#N)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000129646895 533601560 /nfs/dbraw/zinc/60/15/60/533601560.db2.gz BMXDCOBGTGJSOO-SNVBAGLBSA-N 0 0 324.306 3.489 10 30 DGEERN COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc(C)n1 ZINC000443459917 533559323 /nfs/dbraw/zinc/55/93/23/533559323.db2.gz IDWJJLWTBITBJA-UHFFFAOYSA-N 0 0 313.382 3.073 10 30 DGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C)cc2C1=O ZINC000006339365 400092042 /nfs/dbraw/zinc/09/20/42/400092042.db2.gz YCSQRIKKBOBAIP-UHFFFAOYSA-N 0 0 320.348 3.029 10 30 DGEERN Cc1cccc(OCCCCC(=O)NC2(C#N)CCCC2)c1 ZINC000066317018 400079296 /nfs/dbraw/zinc/07/92/96/400079296.db2.gz MJSXPGSQZTWMIK-UHFFFAOYSA-N 0 0 300.402 3.497 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000581668394 400082572 /nfs/dbraw/zinc/08/25/72/400082572.db2.gz HOUMVXURPHAEJQ-SOUVJXGZSA-N 0 0 309.450 3.415 10 30 DGEERN C=C(CC)CNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000616113104 400085167 /nfs/dbraw/zinc/08/51/67/400085167.db2.gz HJEQQZRDKHXBOR-MRXNPFEDSA-N 0 0 322.408 3.289 10 30 DGEERN CCCCO[C@H]1C[C@H](N(C)c2nc(C)cc(C#N)n2)C1(C)C ZINC000587990547 400177469 /nfs/dbraw/zinc/17/74/69/400177469.db2.gz ZTDYYTMSLQBMBP-GJZGRUSLSA-N 0 0 302.422 3.077 10 30 DGEERN CC(C)(C)[C@H](O)CNc1cc(Br)c(C#N)cc1F ZINC000324386688 400179578 /nfs/dbraw/zinc/17/95/78/400179578.db2.gz XXKPXDBLIBTMBU-GFCCVEGCSA-N 0 0 315.186 3.279 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1c[nH]c(=O)cc1C ZINC000328629116 400182273 /nfs/dbraw/zinc/18/22/73/400182273.db2.gz OKQJHFFBOVCBLG-LLVKDONJSA-N 0 0 317.414 3.285 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)Nc1ccc(F)cn1 ZINC000328616832 400182601 /nfs/dbraw/zinc/18/26/01/400182601.db2.gz CCOIGJJUJIONNI-JTQLQIEISA-N 0 0 320.393 3.432 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCc1cccs1 ZINC000328635498 400183732 /nfs/dbraw/zinc/18/37/32/400183732.db2.gz UWNHFCCMJCICIG-UKRRQHHQSA-N 0 0 319.430 3.241 10 30 DGEERN N#Cc1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)c(F)c1 ZINC000609651793 400185404 /nfs/dbraw/zinc/18/54/04/400185404.db2.gz QJRNAQXGABCCNU-HNNXBMFYSA-N 0 0 308.356 3.434 10 30 DGEERN COc1cccc(CNc2cc(C#N)nc3ccccc32)c1O ZINC000091479275 400122666 /nfs/dbraw/zinc/12/26/66/400122666.db2.gz DCCCPGAVNLUKRB-UHFFFAOYSA-N 0 0 305.337 3.433 10 30 DGEERN C=C[C@@H](NCc1ccccc1OCc1ccccc1)C(=O)OC ZINC000309736032 400132301 /nfs/dbraw/zinc/13/23/01/400132301.db2.gz QOZOWSKZIMRFGN-QGZVFWFLSA-N 0 0 311.381 3.083 10 30 DGEERN CC1(C)COC[C@H]1Nc1cc(Br)c(C#N)cc1F ZINC000313074271 400136461 /nfs/dbraw/zinc/13/64/61/400136461.db2.gz ZYINPWNPQCPAPM-GFCCVEGCSA-N 0 0 313.170 3.297 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cc(F)ccc2F)c(F)c1 ZINC000609251774 400153930 /nfs/dbraw/zinc/15/39/30/400153930.db2.gz XDAYXWNVLANLMJ-UHFFFAOYSA-N 0 0 305.259 3.297 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252394 400154457 /nfs/dbraw/zinc/15/44/57/400154457.db2.gz LVPAPYVOGSIBHH-UHFFFAOYSA-N 0 0 308.316 3.199 10 30 DGEERN Cc1ccc2c(c1)N(C(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000609254405 400155180 /nfs/dbraw/zinc/15/51/80/400155180.db2.gz MSJHDSYLOPOJJW-UHFFFAOYSA-N 0 0 309.344 3.278 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1c(F)cccc1F ZINC000015800988 400168637 /nfs/dbraw/zinc/16/86/37/400168637.db2.gz IHCCGUVZBWRFRX-JTQLQIEISA-N 0 0 302.280 3.242 10 30 DGEERN Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610339475 400243449 /nfs/dbraw/zinc/24/34/49/400243449.db2.gz XFFCLGWXMVWBDM-GFCCVEGCSA-N 0 0 318.373 3.045 10 30 DGEERN N#Cc1ccc(CNc2cc(Cl)ccc2C(N)=O)c(F)c1 ZINC000025745907 400243521 /nfs/dbraw/zinc/24/35/21/400243521.db2.gz VPZUNRGSAPCIRI-UHFFFAOYSA-N 0 0 303.724 3.062 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000610353123 400248346 /nfs/dbraw/zinc/24/83/46/400248346.db2.gz WPTGBRYUXIMMML-NVXWUHKLSA-N 0 0 315.392 3.465 10 30 DGEERN COc1ccc2nc(C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000026068367 400250041 /nfs/dbraw/zinc/25/00/41/400250041.db2.gz SVJWFGKJZFVJHG-UHFFFAOYSA-N 0 0 303.321 3.367 10 30 DGEERN N#Cc1c(Cl)cccc1Oc1ccc2nnc(C(F)F)n2n1 ZINC000092658898 400191533 /nfs/dbraw/zinc/19/15/33/400191533.db2.gz ODNNAMKDUAHJKV-UHFFFAOYSA-N 0 0 321.674 3.379 10 30 DGEERN CC(C)(C)OC(=O)N1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616651152 400192574 /nfs/dbraw/zinc/19/25/74/400192574.db2.gz JXXYPPSPSUQTJP-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1ccccc1C#N ZINC000616646421 400192968 /nfs/dbraw/zinc/19/29/68/400192968.db2.gz UCIZSKZSSRZTTQ-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN CC(C)(C)OC(=O)N1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616661277 400195028 /nfs/dbraw/zinc/19/50/28/400195028.db2.gz YUGBXNGAUQHJAA-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCCCCCNC(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC000616697727 400207619 /nfs/dbraw/zinc/20/76/19/400207619.db2.gz GGCBQIJIQFFJSB-UHFFFAOYSA-N 0 0 320.408 3.139 10 30 DGEERN C[C@H](NC(=O)Nc1ccc2nccn2c1)c1ccc(C#N)cc1 ZINC000610026200 400209033 /nfs/dbraw/zinc/20/90/33/400209033.db2.gz GDRUNDOYVMEDGF-LBPRGKRZSA-N 0 0 305.341 3.089 10 30 DGEERN C[C@@H]1CN(C(=O)CCCCCC#N)C[C@@H](c2ccccc2)O1 ZINC000588310094 400210671 /nfs/dbraw/zinc/21/06/71/400210671.db2.gz IJGJGHDXISTSJG-WBVHZDCISA-N 0 0 300.402 3.449 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC000610402674 400254983 /nfs/dbraw/zinc/25/49/83/400254983.db2.gz YXFIEXGYRJDGSS-IJEWVQPXSA-N 0 0 315.392 3.465 10 30 DGEERN Cc1nc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(Cl)cc1C#N ZINC000589690275 400322033 /nfs/dbraw/zinc/32/20/33/400322033.db2.gz XHDHKVWOULOKFF-TZMCWYRMSA-N 0 0 307.825 3.148 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000617036886 400287813 /nfs/dbraw/zinc/28/78/13/400287813.db2.gz GJAJHVKAKPWXCA-MCIONIFRSA-N 0 0 320.458 3.118 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN1CCCCCCC1=O ZINC000617036430 400288000 /nfs/dbraw/zinc/28/80/00/400288000.db2.gz ATDOBPKCRBWCGU-HOTGVXAUSA-N 0 0 306.450 3.030 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617037921 400288009 /nfs/dbraw/zinc/28/80/09/400288009.db2.gz SNSQIVISTODVBA-OCCSQVGLSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(C(C)C)no1 ZINC000617037412 400288032 /nfs/dbraw/zinc/28/80/32/400288032.db2.gz MRLFVTHFOPNGPS-KGLIPLIRSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1nc(C(C)C)no1 ZINC000617037411 400288148 /nfs/dbraw/zinc/28/81/48/400288148.db2.gz MRLFVTHFOPNGPS-KBPBESRZSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000617036584 400288166 /nfs/dbraw/zinc/28/81/66/400288166.db2.gz BYULVEGWZLIASV-WMZOPIPTSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000617039445 400288756 /nfs/dbraw/zinc/28/87/56/400288756.db2.gz HJJBPKAZZGMBOF-YXJHDRRASA-N 0 0 317.429 3.197 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000617038068 400289037 /nfs/dbraw/zinc/28/90/37/400289037.db2.gz UJUKNVWQXCPNEG-DOTOQJQBSA-N 0 0 320.477 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000617039639 400289161 /nfs/dbraw/zinc/28/91/61/400289161.db2.gz JQGJYNZFVYSKLL-RHSMWYFYSA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCCCC1 ZINC000617039112 400289274 /nfs/dbraw/zinc/28/92/74/400289274.db2.gz CHGXEVVYCHIEOJ-RDJZCZTQSA-N 0 0 320.477 3.324 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(CC)nn(C)c1CC ZINC000617041407 400290200 /nfs/dbraw/zinc/29/02/00/400290200.db2.gz DGPMTXWXLOTPQF-PBHICJAKSA-N 0 0 317.477 3.339 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NC(C)=O)ccc1O ZINC000617040499 400290311 /nfs/dbraw/zinc/29/03/11/400290311.db2.gz VEFXNMBXQQHROS-CJNGLKHVSA-N 0 0 316.401 3.215 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000617041298 400290334 /nfs/dbraw/zinc/29/03/34/400290334.db2.gz BXLIELLFPKZXOC-WMLDXEAASA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1CCN(OCC)CC1 ZINC000617043931 400291948 /nfs/dbraw/zinc/29/19/48/400291948.db2.gz GUSINNWGHWCJOV-IAGOWNOFSA-N 0 0 308.466 3.291 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000617044357 400292042 /nfs/dbraw/zinc/29/20/42/400292042.db2.gz MDBOQWKGTBUCEN-FUHWJXTLSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000617044358 400292066 /nfs/dbraw/zinc/29/20/66/400292066.db2.gz MDBOQWKGTBUCEN-SJLPKXTDSA-N 0 0 324.428 3.191 10 30 DGEERN CCN(Cc1ccc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000402813375 400292904 /nfs/dbraw/zinc/29/29/04/400292904.db2.gz FLZILXYNRSWWCV-HNNXBMFYSA-N 0 0 323.234 3.322 10 30 DGEERN C=CCN(C(=O)c1nscc1Br)C(C)(C)C ZINC000404853067 400298234 /nfs/dbraw/zinc/29/82/34/400298234.db2.gz UASVTRAREQZHGL-UHFFFAOYSA-N 0 0 303.225 3.332 10 30 DGEERN Cc1cc(F)cc(NC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000610911726 400324059 /nfs/dbraw/zinc/32/40/59/400324059.db2.gz NHWPKYHMUDOFPR-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN C=C(C)CN(C)C(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC000601414498 400300815 /nfs/dbraw/zinc/30/08/15/400300815.db2.gz ZXXPOADQHGPSNB-UHFFFAOYSA-N 0 0 303.402 3.219 10 30 DGEERN N#Cc1ccc(CNC(=O)COC/C=C\c2ccccc2)c(F)c1 ZINC000610784769 400305694 /nfs/dbraw/zinc/30/56/94/400305694.db2.gz COXQTXAUDNAWOL-DAXSKMNVSA-N 0 0 324.355 3.044 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1C ZINC000504468353 400306783 /nfs/dbraw/zinc/30/67/83/400306783.db2.gz FCJITNMWQDLGSN-GDBMZVCRSA-N 0 0 314.429 3.296 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000518792152 400309874 /nfs/dbraw/zinc/30/98/74/400309874.db2.gz AMYKATGMFDTTEA-CQSZACIVSA-N 0 0 303.406 3.059 10 30 DGEERN C=CCCC1(CNC(=O)Cn2c(C)c(C)sc2=O)CCCC1 ZINC000617416231 400384227 /nfs/dbraw/zinc/38/42/27/400384227.db2.gz GZYBDZJYRKSYRV-UHFFFAOYSA-N 0 0 322.474 3.169 10 30 DGEERN N#Cc1ccccc1N1CCc2oc(-c3ccccn3)nc2C1 ZINC000113980761 400384267 /nfs/dbraw/zinc/38/42/67/400384267.db2.gz GOKGSPOWIXZWIQ-UHFFFAOYSA-N 0 0 302.337 3.171 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)CCCC1 ZINC000617416255 400384467 /nfs/dbraw/zinc/38/44/67/400384467.db2.gz HRLGUMJZFADFCV-INIZCTEOSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCCC1(CNC(=O)c2cn(CCOC)nc2C)CCCC1 ZINC000617416868 400384648 /nfs/dbraw/zinc/38/46/48/400384648.db2.gz AXNPCPIKFMHMPD-UHFFFAOYSA-N 0 0 319.449 3.094 10 30 DGEERN C=CCCC1(CNC(=O)c2nn3c(c2C)OCCC3)CCCC1 ZINC000617417878 400385403 /nfs/dbraw/zinc/38/54/03/400385403.db2.gz JXKVIQYOBIDYER-UHFFFAOYSA-N 0 0 317.433 3.230 10 30 DGEERN C=CCCC[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611372298 400385601 /nfs/dbraw/zinc/38/56/01/400385601.db2.gz ZUYXEFOYFSCXAG-AWEZNQCLSA-N 0 0 314.433 3.290 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000578546533 400329764 /nfs/dbraw/zinc/32/97/64/400329764.db2.gz HSFALRYKEOFMGJ-CQSZACIVSA-N 0 0 322.371 3.222 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C2CCC2)cc1 ZINC000578743054 400331820 /nfs/dbraw/zinc/33/18/20/400331820.db2.gz YTSSFSIRHDDHIY-ROUUACIJSA-N 0 0 314.429 3.344 10 30 DGEERN CN(C(=O)[C@H]1C[C@]12CCOc1ccccc12)c1ccc(C#N)cc1 ZINC000610982830 400331913 /nfs/dbraw/zinc/33/19/13/400331913.db2.gz IQTIVNBHASVQFX-XLIONFOSSA-N 0 0 318.376 3.261 10 30 DGEERN C=CCC[C@H](C(=O)Nc1nnc(C2CC2)n1C)c1ccccc1 ZINC000617284681 400342420 /nfs/dbraw/zinc/34/24/20/400342420.db2.gz HPCKCQZFQZCWNH-HNNXBMFYSA-N 0 0 310.401 3.381 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)OC ZINC000601770226 400346134 /nfs/dbraw/zinc/34/61/34/400346134.db2.gz BAXWETRLZCYVCM-GFCCVEGCSA-N 0 0 303.383 3.139 10 30 DGEERN Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)C3CC3)s2)o1 ZINC000108842328 400348044 /nfs/dbraw/zinc/34/80/44/400348044.db2.gz XNHSCDLFOJDPIX-LLVKDONJSA-N 0 0 301.371 3.052 10 30 DGEERN CCCCc1ccc(C(=O)CCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108830747 400348963 /nfs/dbraw/zinc/34/89/63/400348963.db2.gz PAOPQGBYESUQGT-KRWDZBQOSA-N 0 0 312.413 3.410 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)C(=O)OC ZINC000601785629 400349075 /nfs/dbraw/zinc/34/90/75/400349075.db2.gz MCERDFUBJVQGIN-LBPRGKRZSA-N 0 0 320.776 3.059 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000601785738 400349314 /nfs/dbraw/zinc/34/93/14/400349314.db2.gz UHHXAXYDYIVPFE-BXUZGUMPSA-N 0 0 309.793 3.068 10 30 DGEERN CC(C)(C(=O)NCc1ccc(C#N)cc1F)c1cccs1 ZINC000115064855 400393025 /nfs/dbraw/zinc/39/30/25/400393025.db2.gz JHDJEXZOPAUYHV-UHFFFAOYSA-N 0 0 302.374 3.353 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C(C)(C)C ZINC000112462107 400373342 /nfs/dbraw/zinc/37/33/42/400373342.db2.gz QALZYFQPJJUVGY-CQSZACIVSA-N 0 0 317.433 3.151 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(c2nc(/C=N/O)cs2)CC1 ZINC000112973287 400377457 /nfs/dbraw/zinc/37/74/57/400377457.db2.gz KXINOLIASIHRLH-OVCLIPMQSA-N 0 0 311.407 3.066 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611523776 400415192 /nfs/dbraw/zinc/41/51/92/400415192.db2.gz NAOZTSKUEHJULZ-OAHLLOKOSA-N 0 0 318.417 3.144 10 30 DGEERN Cc1cccc2c1CN(C(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000617512177 400399519 /nfs/dbraw/zinc/39/95/19/400399519.db2.gz NRORXICSUWFXGN-UHFFFAOYSA-N 0 0 323.371 3.274 10 30 DGEERN C=CCN(C(=O)CCC(=O)c1ccc(CC)cc1)[C@@H](C)COC ZINC000617575342 400415774 /nfs/dbraw/zinc/41/57/74/400415774.db2.gz VNNQDYQVOPJESF-HNNXBMFYSA-N 0 0 317.429 3.261 10 30 DGEERN CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000611555688 400421551 /nfs/dbraw/zinc/42/15/51/400421551.db2.gz ONKOPELIZDHZPP-UHFFFAOYSA-N 0 0 315.373 3.005 10 30 DGEERN C=C/C(C)=C/CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602181779 400422364 /nfs/dbraw/zinc/42/23/64/400422364.db2.gz AVWOEPABWXNHGH-OVCLIPMQSA-N 0 0 309.413 3.484 10 30 DGEERN C=CCN(C(=O)C[C@H]1OCc2cc(Cl)ccc21)[C@@H](C)COC ZINC000617584414 400419425 /nfs/dbraw/zinc/41/94/25/400419425.db2.gz BOQXGCOHCDELFV-BLLLJJGKSA-N 0 0 323.820 3.351 10 30 DGEERN C=CCN(C(=O)c1ccc(F)c2ccncc12)[C@@H](C)COC ZINC000617584350 400419493 /nfs/dbraw/zinc/41/94/93/400419493.db2.gz AACYYOCMRSWOEQ-LBPRGKRZSA-N 0 0 302.349 3.037 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000119487017 400436810 /nfs/dbraw/zinc/43/68/10/400436810.db2.gz UACANMYIINFXKI-SYSJQSPFSA-N 0 0 324.424 3.266 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCCc1ccnc2ccccc12)OCC ZINC000617671438 400442607 /nfs/dbraw/zinc/44/26/07/400442607.db2.gz IXIDQOAGOMUTKB-GOSISDBHSA-N 0 0 312.413 3.265 10 30 DGEERN N#Cc1csc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120929419 400450272 /nfs/dbraw/zinc/45/02/72/400450272.db2.gz 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/nfs/dbraw/zinc/56/00/08/400560008.db2.gz COZZBZKKPPZORP-HNNXBMFYSA-N 0 0 308.466 3.132 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000618293941 400564152 /nfs/dbraw/zinc/56/41/52/400564152.db2.gz DIBGEHRDZMRSQI-QUCCMNQESA-N 0 0 313.441 3.500 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(C(=O)OC)c2C)CCOCC1 ZINC000591845661 400565734 /nfs/dbraw/zinc/56/57/34/400565734.db2.gz JTZHPVUHSKRGQO-UHFFFAOYSA-N 0 0 317.385 3.093 10 30 DGEERN C=C(CC)CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603104304 400642648 /nfs/dbraw/zinc/64/26/48/400642648.db2.gz HIMXDFWSXBCSJL-LSDHHAIUSA-N 0 0 302.374 3.051 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1CCSC ZINC000603075230 400635871 /nfs/dbraw/zinc/63/58/71/400635871.db2.gz AVWZYFTYFXNLSH-HOCLYGCPSA-N 0 0 320.458 3.305 10 30 DGEERN N#CC1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000144053029 400639912 /nfs/dbraw/zinc/63/99/12/400639912.db2.gz WBAJOKUVBNQMDV-UHFFFAOYSA-N 0 0 303.328 3.053 10 30 DGEERN C=CC[C@@H](CO)Nc1ncc(C(=O)OC(C)(C)C)cc1Cl 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C=CC[C@H]1CCN(C(=O)NCCc2cccc(OCC)c2)C1 ZINC000623784645 401579192 /nfs/dbraw/zinc/57/91/92/401579192.db2.gz CLXWCZMKEHHWKN-INIZCTEOSA-N 0 0 302.418 3.235 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cccc2c1OCCCO2 ZINC000623780891 401579243 /nfs/dbraw/zinc/57/92/43/401579243.db2.gz AARGUVYVHGWYMI-UHFFFAOYSA-N 0 0 318.417 3.249 10 30 DGEERN C=C1CC(C)(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)C1 ZINC000632323961 401600153 /nfs/dbraw/zinc/60/01/53/401600153.db2.gz LAAQODCTGNTMMY-UHFFFAOYSA-N 0 0 307.397 3.113 10 30 DGEERN C=CCCOCCNC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000623809760 401581998 /nfs/dbraw/zinc/58/19/98/401581998.db2.gz SOEGFCXRCSGPGZ-UHFFFAOYSA-N 0 0 308.344 3.001 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1nc2c(s1)CCCC2 ZINC000623828488 401584565 /nfs/dbraw/zinc/58/45/65/401584565.db2.gz BCWCSYNJJYCRJR-UHFFFAOYSA-N 0 0 321.490 3.466 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2cn(CCCCC)nc2C)C1 ZINC000623832269 401585119 /nfs/dbraw/zinc/58/51/19/401585119.db2.gz TUALAFDOHIQVLA-MRXNPFEDSA-N 0 0 318.465 3.489 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000632173963 401586554 /nfs/dbraw/zinc/58/65/54/401586554.db2.gz OTEXJAGCUNYIBC-ZDUSSCGKSA-N 0 0 311.385 3.313 10 30 DGEERN C=CCOc1c(Cl)cc(CN2CC3(C2)CCCO3)cc1OC ZINC000628427587 401596531 /nfs/dbraw/zinc/59/65/31/401596531.db2.gz LRUKQHALTJJYMD-UHFFFAOYSA-N 0 0 323.820 3.278 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1cc2cccc(Cl)c2nc1C ZINC000632295657 401598284 /nfs/dbraw/zinc/59/82/84/401598284.db2.gz RMOLJDKAWIFPAU-GFCCVEGCSA-N 0 0 318.804 3.111 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCCOc2cccc(OC)c2)C1 ZINC000623641462 401559862 /nfs/dbraw/zinc/55/98/62/401559862.db2.gz VDSQEGXSIQEOOZ-HNNXBMFYSA-N 0 0 318.417 3.072 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cc2c(cc(OC)cc2OC)[nH]1 ZINC000632780055 401625931 /nfs/dbraw/zinc/62/59/31/401625931.db2.gz GABHIYXWDZXAPE-GFCCVEGCSA-N 0 0 314.385 3.366 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)C1 ZINC000624106368 401626652 /nfs/dbraw/zinc/62/66/52/401626652.db2.gz AARXMPDPXFJIHK-WOSRLPQWSA-N 0 0 320.458 3.358 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Cc1cnn2c1CCCC2 ZINC000632803917 401627334 /nfs/dbraw/zinc/62/73/34/401627334.db2.gz KXXMXRXHNXNXEM-UHFFFAOYSA-N 0 0 323.440 3.367 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)C1 ZINC000632809338 401627720 /nfs/dbraw/zinc/62/77/20/401627720.db2.gz GADVITOETLYEOR-UHFFFAOYSA-N 0 0 313.441 3.247 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000624163581 401633635 /nfs/dbraw/zinc/63/36/35/401633635.db2.gz DQPQHYBZXIGBQR-NEPJUHHUSA-N 0 0 320.355 3.142 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000624218822 401640327 /nfs/dbraw/zinc/64/03/27/401640327.db2.gz CGFDKHWJSBEMJU-HOCLYGCPSA-N 0 0 317.408 3.012 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000628469373 401603062 /nfs/dbraw/zinc/60/30/62/401603062.db2.gz MLLNRXBYEJQCKQ-MRXNPFEDSA-N 0 0 317.429 3.178 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)COc2ccc(C(=O)CC)cc2)C1 ZINC000628482435 401605519 /nfs/dbraw/zinc/60/55/19/401605519.db2.gz OIJWNWGBCINICI-CQSZACIVSA-N 0 0 301.386 3.083 10 30 DGEERN C=CC[C@H]1CCN(C(=O)COc2ccc(OCCC)cc2)C1 ZINC000628482141 401605544 /nfs/dbraw/zinc/60/55/44/401605544.db2.gz FXJSMQKHAOPJHD-HNNXBMFYSA-N 0 0 303.402 3.279 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000628483126 401605861 /nfs/dbraw/zinc/60/58/61/401605861.db2.gz HCGFHLOYPPGOBP-MAUKXSAKSA-N 0 0 315.413 3.283 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(Nc3ncccn3)c2)C1 ZINC000628485129 401606320 /nfs/dbraw/zinc/60/63/20/401606320.db2.gz CSAAMYLBUJXYOD-CQSZACIVSA-N 0 0 308.385 3.258 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 ZINC000628484855 401606350 /nfs/dbraw/zinc/60/63/50/401606350.db2.gz WKIZCJRRBYMWCE-LBPRGKRZSA-N 0 0 317.414 3.155 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 ZINC000628483949 401606409 /nfs/dbraw/zinc/60/64/09/401606409.db2.gz APZFRXFACGCRNJ-GFCCVEGCSA-N 0 0 301.415 3.485 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C1 ZINC000628487611 401606623 /nfs/dbraw/zinc/60/66/23/401606623.db2.gz JCKYQQBZDXEJKJ-CYBMUJFWSA-N 0 0 300.402 3.094 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000628486444 401606715 /nfs/dbraw/zinc/60/67/15/401606715.db2.gz IPWPOOIAIBVWPI-CQSZACIVSA-N 0 0 315.417 3.255 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000628485954 401606761 /nfs/dbraw/zinc/60/67/61/401606761.db2.gz XWSHJPVRXBARAK-ZDUSSCGKSA-N 0 0 305.422 3.114 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CNc2cc(Cl)ccc2OC)C1 ZINC000628486836 401606786 /nfs/dbraw/zinc/60/67/86/401606786.db2.gz RBNLCOXZIYMKBX-LBPRGKRZSA-N 0 0 308.809 3.185 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CNc2cc(Cl)ccc2OC)C1 ZINC000628486835 401606848 /nfs/dbraw/zinc/60/68/48/401606848.db2.gz RBNLCOXZIYMKBX-GFCCVEGCSA-N 0 0 308.809 3.185 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000628489069 401607170 /nfs/dbraw/zinc/60/71/70/401607170.db2.gz OLZVYXPQUJZWOF-KGLIPLIRSA-N 0 0 303.377 3.459 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000628489878 401607192 /nfs/dbraw/zinc/60/71/92/401607192.db2.gz JQSUHZZQBVIVET-LSDHHAIUSA-N 0 0 317.429 3.307 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000628492130 401607465 /nfs/dbraw/zinc/60/74/65/401607465.db2.gz OLXPYADKCVUURH-CPFNUKBASA-N 0 0 321.461 3.165 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000628490705 401607519 /nfs/dbraw/zinc/60/75/19/401607519.db2.gz FCUQEUSYRFSYCV-GFCCVEGCSA-N 0 0 317.339 3.189 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(Nc3ccn(C)n3)cc2)C1 ZINC000628492995 401607622 /nfs/dbraw/zinc/60/76/22/401607622.db2.gz HFWKNBAJJLUDRL-AWEZNQCLSA-N 0 0 310.401 3.202 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(C(C)C)c3c2)C1 ZINC000628492768 401607751 /nfs/dbraw/zinc/60/77/51/401607751.db2.gz BGUHGXUAYUFEDB-ZDUSSCGKSA-N 0 0 313.401 3.361 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CSc3ccccc3O2)C1 ZINC000624279352 401646531 /nfs/dbraw/zinc/64/65/31/401646531.db2.gz NUISHOSMWLDDOX-UONOGXRCSA-N 0 0 318.442 3.147 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)C1 ZINC000628491540 401607840 /nfs/dbraw/zinc/60/78/40/401607840.db2.gz AMOIAXNTSPSXHN-CQSZACIVSA-N 0 0 323.440 3.194 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cn(-c3cccc(F)c3)nc2C)C1 ZINC000628493514 401608057 /nfs/dbraw/zinc/60/80/57/401608057.db2.gz RHINFTDVGQHKFL-AWEZNQCLSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)C1 ZINC000628493554 401608176 /nfs/dbraw/zinc/60/81/76/401608176.db2.gz RTIXISJZOMFFRF-LLVKDONJSA-N 0 0 323.318 3.391 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1cn2c(cccc2C)n1 ZINC000624292412 401647189 /nfs/dbraw/zinc/64/71/89/401647189.db2.gz PTUAGWYOKHNVDU-UHFFFAOYSA-N 0 0 314.433 3.087 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC000633153864 401654759 /nfs/dbraw/zinc/65/47/59/401654759.db2.gz WXSNTEMJMKDEPD-AWEZNQCLSA-N 0 0 302.393 3.125 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H](C)COc2c(F)cccc2F)C1 ZINC000624363048 401655453 /nfs/dbraw/zinc/65/54/53/401655453.db2.gz OUEUNDFFNXUQEJ-OLZOCXBDSA-N 0 0 324.371 3.340 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC(=O)C[C@H]1c1ccccc1)OCC ZINC000633166221 401656316 /nfs/dbraw/zinc/65/63/16/401656316.db2.gz SLLCZQCGVZEPJB-ROUUACIJSA-N 0 0 315.413 3.291 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628984223 401653326 /nfs/dbraw/zinc/65/33/26/401653326.db2.gz SUWLBZSROSZNAQ-YONQAEKCSA-N 0 0 305.805 3.076 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633151975 401654230 /nfs/dbraw/zinc/65/42/30/401654230.db2.gz BSLMBPQKQOYXHM-CYBMUJFWSA-N 0 0 306.454 3.406 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000624459805 401662357 /nfs/dbraw/zinc/66/23/57/401662357.db2.gz LBUHSLPQQMTIQI-INIZCTEOSA-N 0 0 302.418 3.029 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000624460349 401662496 /nfs/dbraw/zinc/66/24/96/401662496.db2.gz UNNBHEKRFOJZLN-UHFFFAOYSA-N 0 0 319.449 3.451 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCc2c(cccc2OC)C1 ZINC000624464427 401662692 /nfs/dbraw/zinc/66/26/92/401662692.db2.gz ZEZSTBREUWMFPB-UHFFFAOYSA-N 0 0 302.418 3.365 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)c1nc(-c2ccc(OC)cc2C)no1 ZINC000624731772 401685739 /nfs/dbraw/zinc/68/57/39/401685739.db2.gz KYFPQJLMGCFCMD-HNNXBMFYSA-N 0 0 315.373 3.197 10 30 DGEERN C=C(C)CCNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000633305898 401670932 /nfs/dbraw/zinc/67/09/32/401670932.db2.gz BDWDJILGOPZMBE-UHFFFAOYSA-N 0 0 303.328 3.028 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1cncc(OC)n1 ZINC000629361154 401679837 /nfs/dbraw/zinc/67/98/37/401679837.db2.gz CKTSOCDSTJYEOP-UHFFFAOYSA-N 0 0 300.358 3.110 10 30 DGEERN C=CCCn1cc(COc2ccc(C3CCOCC3)cc2)nn1 ZINC000629391564 401683678 /nfs/dbraw/zinc/68/36/78/401683678.db2.gz AJUIPZGYSGZHPV-UHFFFAOYSA-N 0 0 313.401 3.327 10 30 DGEERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)CCCCC#N)o1 ZINC000173716454 292265110 /nfs/dbraw/zinc/26/51/10/292265110.db2.gz KHCSPKBDFDRYRV-CQSZACIVSA-N 0 0 310.419 3.139 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)C12CCCC2 ZINC000365018300 286348797 /nfs/dbraw/zinc/34/87/97/286348797.db2.gz VXWROMNXEULQQN-LSDHHAIUSA-N 0 0 319.449 3.059 10 30 DGEERN C[C@@H]1COCC[C@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000194903460 297142462 /nfs/dbraw/zinc/14/24/62/297142462.db2.gz DIUWANJXXFXOQE-XYSPPFBYSA-N 0 0 306.450 3.274 10 30 DGEERN N#Cc1cnccc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000364338382 287015080 /nfs/dbraw/zinc/01/50/80/287015080.db2.gz ASRNIUNNTAOXGM-LBPRGKRZSA-N 0 0 321.306 3.010 10 30 DGEERN CC1(CCNc2ccc(C(F)(F)F)c(C#N)c2)OCCO1 ZINC000167516756 164607540 /nfs/dbraw/zinc/60/75/40/164607540.db2.gz RSTGSHCCUZCSTJ-UHFFFAOYSA-N 0 0 300.280 3.142 10 30 DGEERN N#Cc1ccnc(SCc2ccc(Br)cn2)c1 ZINC000171932940 164642429 /nfs/dbraw/zinc/64/24/29/164642429.db2.gz CLVKOLPBLCOXMF-UHFFFAOYSA-N 0 0 306.188 3.403 10 30 DGEERN CCC[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)C ZINC000183682083 164957726 /nfs/dbraw/zinc/95/77/26/164957726.db2.gz DZUVEECMEXQVAL-HNNXBMFYSA-N 0 0 311.389 3.150 10 30 DGEERN C[C@@H]1C[C@H]1c1ccc(CNc2cnn(-c3ncccc3C#N)c2)o1 ZINC000185851057 165019238 /nfs/dbraw/zinc/01/92/38/165019238.db2.gz RYLLGDFLURPWCB-MLGOLLRUSA-N 0 0 319.368 3.467 10 30 DGEERN Cc1ccc2ncnc(N3CC(Oc4ccc(C#N)cc4)C3)c2c1 ZINC000186032850 165025384 /nfs/dbraw/zinc/02/53/84/165025384.db2.gz RGZDGMPLLGWKIV-UHFFFAOYSA-N 0 0 316.364 3.078 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Cl)nc1 ZINC000186023129 165025550 /nfs/dbraw/zinc/02/55/50/165025550.db2.gz SWERUATWFBVOEI-NSHDSACASA-N 0 0 324.775 3.360 10 30 DGEERN N#Cc1ccc(C2(C(=O)NC[C@H]3CCc4ccccc43)CC2)cc1 ZINC000186817439 165062303 /nfs/dbraw/zinc/06/23/03/165062303.db2.gz BVZARILIYAWMFU-QGZVFWFLSA-N 0 0 316.404 3.436 10 30 DGEERN N#Cc1ccc(CSc2n[nH]c(-c3cccnc3)n2)cc1F ZINC000187907033 165105610 /nfs/dbraw/zinc/10/56/10/165105610.db2.gz KWIVMJJVWQBUAJ-UHFFFAOYSA-N 0 0 311.345 3.170 10 30 DGEERN C[C@H](Cc1ccccc1F)Nc1cnn(-c2ncccc2C#N)c1 ZINC000188466245 165124742 /nfs/dbraw/zinc/12/47/42/165124742.db2.gz XDGVSLBHHXGZPB-CYBMUJFWSA-N 0 0 321.359 3.321 10 30 DGEERN CN(CCc1ccc(F)cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188743405 165136661 /nfs/dbraw/zinc/13/66/61/165136661.db2.gz LDISBGYRQWTDKV-UHFFFAOYSA-N 0 0 322.383 3.430 10 30 DGEERN COC(=O)c1ccc(F)c(NCc2ccc(C#N)c(F)c2)c1 ZINC000190330697 165199133 /nfs/dbraw/zinc/19/91/33/165199133.db2.gz XWJRSOVKSYFWJM-UHFFFAOYSA-N 0 0 302.280 3.235 10 30 DGEERN CN(C)C(=O)c1cc(NCc2ccc(C#N)c(F)c2)ccc1F ZINC000190387246 165200977 /nfs/dbraw/zinc/20/09/77/165200977.db2.gz FBDRKYRJWRWINA-UHFFFAOYSA-N 0 0 315.323 3.150 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC([C@@H]4CCCO4)CC3)CC2)cc1 ZINC000191154513 165233543 /nfs/dbraw/zinc/23/35/43/165233543.db2.gz VBFXQUZSFHKPDQ-SFHVURJKSA-N 0 0 324.424 3.007 10 30 DGEERN COc1ccc2ccccc2c1CNC(=O)c1ccnc(C#N)c1 ZINC000192549098 165296180 /nfs/dbraw/zinc/29/61/80/165296180.db2.gz QGSIXNGDAXILBC-UHFFFAOYSA-N 0 0 317.348 3.045 10 30 DGEERN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)o1 ZINC000192662868 165299818 /nfs/dbraw/zinc/29/98/18/165299818.db2.gz VHSXCYPCNKFDMS-YVEFUNNKSA-N 0 0 321.380 3.474 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3ccnc(C#N)c3)c2)oc1C ZINC000192812084 165307568 /nfs/dbraw/zinc/30/75/68/165307568.db2.gz XWUAPTAOTZUZJR-UHFFFAOYSA-N 0 0 318.336 3.477 10 30 DGEERN N#Cc1cc(C(=O)Nc2cnccc2Oc2ccccc2)ccn1 ZINC000193033092 165314570 /nfs/dbraw/zinc/31/45/70/165314570.db2.gz AEDQIYDNOLBRRW-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN N#Cc1ccc(CN(C(=O)CCc2ccccc2O)C2CC2)cc1 ZINC000193051948 165316641 /nfs/dbraw/zinc/31/66/41/165316641.db2.gz XDZFYVPYHKSDSR-UHFFFAOYSA-N 0 0 320.392 3.388 10 30 DGEERN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccnc(C#N)c1 ZINC000193186020 165320315 /nfs/dbraw/zinc/32/03/15/165320315.db2.gz HVHXOUWCNCLBRT-UHFFFAOYSA-N 0 0 303.724 3.018 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2sccc2Cl)cn1 ZINC000193210669 165321180 /nfs/dbraw/zinc/32/11/80/165321180.db2.gz CXOFXTUVNSZKHO-UHFFFAOYSA-N 0 0 315.789 3.466 10 30 DGEERN COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccnc(C#N)c1 ZINC000193417067 165324684 /nfs/dbraw/zinc/32/46/84/165324684.db2.gz ARFWWLKXCATTLR-KRWDZBQOSA-N 0 0 323.396 3.479 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(F)c(Br)c2)ccn1 ZINC000193390967 165325305 /nfs/dbraw/zinc/32/53/05/165325305.db2.gz XLFQRZKFSFCXRW-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN COc1ccc(NC(=O)c2ccnc(C#N)c2)cc1OC(C)C ZINC000193817805 165332668 /nfs/dbraw/zinc/33/26/68/165332668.db2.gz SAUWSDYUVIKNFF-UHFFFAOYSA-N 0 0 311.341 3.001 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)n1 ZINC000194224864 165341348 /nfs/dbraw/zinc/34/13/48/165341348.db2.gz MYQIPLPVRNEAPX-LLVKDONJSA-N 0 0 302.765 3.225 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2OC[C@@H]1C ZINC000175347601 287121671 /nfs/dbraw/zinc/12/16/71/287121671.db2.gz CJRZIMZUGZXFOK-UONOGXRCSA-N 0 0 322.364 3.140 10 30 DGEERN N#Cc1cccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)c1 ZINC000129194936 196027646 /nfs/dbraw/zinc/02/76/46/196027646.db2.gz QCKZNYYPPFWXDO-UHFFFAOYSA-N 0 0 323.327 3.076 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCOC1 ZINC000171618056 432151567 /nfs/dbraw/zinc/15/15/67/432151567.db2.gz XTSFYXDQAOUOHO-LLVKDONJSA-N 0 0 314.838 3.278 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N[C@@](C)(C#N)CCc2ccccc2)n1 ZINC000171835508 432177812 /nfs/dbraw/zinc/17/78/12/432177812.db2.gz WMVHEYGSIDYWOS-VQIMIIECSA-N 0 0 324.428 3.092 10 30 DGEERN N#Cc1cccc(NC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171808065 432173519 /nfs/dbraw/zinc/17/35/19/432173519.db2.gz XWHLHNDABBCDCQ-UHFFFAOYSA-N 0 0 320.396 3.440 10 30 DGEERN C[C@@H](SC1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130830722 196114226 /nfs/dbraw/zinc/11/42/26/196114226.db2.gz MDHUYHCXXPXECO-SNVBAGLBSA-N 0 0 324.833 3.451 10 30 DGEERN C[C@@H](NCc1cc(C#N)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000150967003 432206664 /nfs/dbraw/zinc/20/66/64/432206664.db2.gz CDAFPVOZAWUDGO-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN N#Cc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000172703208 432228439 /nfs/dbraw/zinc/22/84/39/432228439.db2.gz NAYPCRDRZZVAAH-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2C)C12CCC2 ZINC000133109711 196312670 /nfs/dbraw/zinc/31/26/70/196312670.db2.gz FUGYNMBZHSMQBP-IRXDYDNUSA-N 0 0 312.413 3.286 10 30 DGEERN Cc1cc([C@H]2CN(CCCSCC#N)CCO2)ccc1F ZINC000128686088 227011509 /nfs/dbraw/zinc/01/15/09/227011509.db2.gz XRCAOVJYOCVSHC-MRXNPFEDSA-N 0 0 308.422 3.154 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134849498 227043392 /nfs/dbraw/zinc/04/33/92/227043392.db2.gz QYWKBLCBKVEJSV-YOEHRIQHSA-N 0 0 313.376 3.306 10 30 DGEERN N#CC1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000134973308 227044908 /nfs/dbraw/zinc/04/49/08/227044908.db2.gz YBOBQCHONHYHQN-UHFFFAOYSA-N 0 0 300.255 3.411 10 30 DGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(F)c1C#N ZINC000189947650 292603863 /nfs/dbraw/zinc/60/38/63/292603863.db2.gz WPALMBPAFSIKDB-INIZCTEOSA-N 0 0 310.328 3.259 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(OCCC(C)C)c1 ZINC000184613592 335080801 /nfs/dbraw/zinc/08/08/01/335080801.db2.gz ARSXJNFXMCKIAN-OAHLLOKOSA-N 0 0 306.406 3.170 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000160236294 228245352 /nfs/dbraw/zinc/24/53/52/228245352.db2.gz FPTZUALBBPFAKK-UHFFFAOYSA-N 0 0 319.364 3.468 10 30 DGEERN COc1ccc(C(C)=O)c(OCc2ccc(OC)c(C#N)c2)c1 ZINC000162508527 228258319 /nfs/dbraw/zinc/25/83/19/228258319.db2.gz QQICRHFZDCEKLL-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCOc1ccc(F)cc1 ZINC000163779241 228263110 /nfs/dbraw/zinc/26/31/10/228263110.db2.gz DKBGJDKNZHEJRP-UHFFFAOYSA-N 0 0 312.344 3.205 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000171707919 228272519 /nfs/dbraw/zinc/27/25/19/228272519.db2.gz ARXSTFPZNRBUQW-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)NCCCCC#N)C2)n1 ZINC000173492468 228281638 /nfs/dbraw/zinc/28/16/38/228281638.db2.gz HJUBFCLCJRGWHE-ZDUSSCGKSA-N 0 0 306.435 3.034 10 30 DGEERN C[C@H]1CN(CCCSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000173899582 228285797 /nfs/dbraw/zinc/28/57/97/228285797.db2.gz LAOIDNKEWAADJY-XJKSGUPXSA-N 0 0 308.422 3.234 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n1 ZINC000176472217 228313735 /nfs/dbraw/zinc/31/37/35/228313735.db2.gz PVNLAOQCZCPEMM-MRXNPFEDSA-N 0 0 310.422 3.209 10 30 DGEERN Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)s1 ZINC000176527296 228315261 /nfs/dbraw/zinc/31/52/61/228315261.db2.gz KXJDAVWZTKCAFG-UHFFFAOYSA-N 0 0 300.387 3.399 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000176647670 228318305 /nfs/dbraw/zinc/31/83/05/228318305.db2.gz JFJIKPLFTYIMGK-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)c1coc(Br)c1 ZINC000178390574 228340629 /nfs/dbraw/zinc/34/06/29/228340629.db2.gz PNDCWRJAFIQTOZ-UHFFFAOYSA-N 0 0 305.131 3.475 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000178554962 228342882 /nfs/dbraw/zinc/34/28/82/228342882.db2.gz SSSCDBMFZHVAAO-GFCCVEGCSA-N 0 0 323.352 3.478 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000178583223 228343840 /nfs/dbraw/zinc/34/38/40/228343840.db2.gz XNPZPMAMMPGLAA-HNNXBMFYSA-N 0 0 319.408 3.048 10 30 DGEERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180059505 228354157 /nfs/dbraw/zinc/35/41/57/228354157.db2.gz AQAZIIPBEYWRMM-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000182325278 228367482 /nfs/dbraw/zinc/36/74/82/228367482.db2.gz WASBNLYFINLCME-QGZVFWFLSA-N 0 0 307.397 3.444 10 30 DGEERN Cn1cc(NC(=O)C[C@H]2CCCCNC2=O)c(C(F)(F)F)n1 ZINC000329355230 228939505 /nfs/dbraw/zinc/93/95/05/228939505.db2.gz VRKWAEIFIZJYSV-MRVPVSSYSA-N 0 0 318.299 3.174 10 30 DGEERN O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@H]2CCC[C@@H]21 ZINC000330262841 228985400 /nfs/dbraw/zinc/98/54/00/228985400.db2.gz VSFWKPGCQQIMHF-DOMZBBRYSA-N 0 0 314.364 3.431 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCCc3ccccc3CC2)C1 ZINC000333192907 229037434 /nfs/dbraw/zinc/03/74/34/229037434.db2.gz ORVDYNUPUGBGHZ-YJBOKZPZSA-N 0 0 311.429 3.269 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCc1nc([C@@H](C)C2CC2)no1 ZINC000357601918 229351185 /nfs/dbraw/zinc/35/11/85/229351185.db2.gz DRVXURUWPAAAJW-NSHDSACASA-N 0 0 313.405 3.095 10 30 DGEERN Cc1cc([C@@H](C#N)C(=O)Nc2ccccc2C(C)C)nc(C)n1 ZINC000358026801 229357080 /nfs/dbraw/zinc/35/70/80/229357080.db2.gz LBIVJDYYSRYXBB-OAHLLOKOSA-N 0 0 308.385 3.463 10 30 DGEERN N#CCC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000368485024 229496959 /nfs/dbraw/zinc/49/69/59/229496959.db2.gz UOQLWEHGCGUFRW-ZDUSSCGKSA-N 0 0 300.255 3.016 10 30 DGEERN N#Cc1cc(F)ccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302192088 230152657 /nfs/dbraw/zinc/15/26/57/230152657.db2.gz ZLYBGYSUMUZLPS-UHFFFAOYSA-N 0 0 312.348 3.342 10 30 DGEERN Cc1ccc(NC[C@H]2CCN(c3ccc(F)cc3)C2)nc1C#N ZINC000302597478 230312508 /nfs/dbraw/zinc/31/25/08/230312508.db2.gz BMYZYPGWCIEASE-CQSZACIVSA-N 0 0 310.376 3.339 10 30 DGEERN COC(=O)c1ccc(OCc2ccc(C#N)c(F)c2)cc1OC ZINC000188535817 263695931 /nfs/dbraw/zinc/69/59/31/263695931.db2.gz UBDKMCYTOONFOH-UHFFFAOYSA-N 0 0 315.300 3.072 10 30 DGEERN CC(C)(CNC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000192827972 263785560 /nfs/dbraw/zinc/78/55/60/263785560.db2.gz BDFJNPGBUWSFHA-UHFFFAOYSA-N 0 0 313.788 3.314 10 30 DGEERN CCc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)s1 ZINC000049064706 270003237 /nfs/dbraw/zinc/00/32/37/270003237.db2.gz JDNBINFOTMWYJG-UHFFFAOYSA-N 0 0 306.412 3.007 10 30 DGEERN CN(CC1CCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000049516241 270003315 /nfs/dbraw/zinc/00/33/15/270003315.db2.gz QCXKTFYPVXATEP-UHFFFAOYSA-N 0 0 312.822 3.022 10 30 DGEERN N#Cc1ccc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)o1 ZINC000360056068 270004142 /nfs/dbraw/zinc/00/41/42/270004142.db2.gz VDEPTFAZVCTSAD-ZDUSSCGKSA-N 0 0 307.353 3.171 10 30 DGEERN N#Cc1csc(CNCc2ccccc2Br)n1 ZINC000352837658 265190949 /nfs/dbraw/zinc/19/09/49/265190949.db2.gz PDVHIVUMONEWEU-UHFFFAOYSA-N 0 0 308.204 3.067 10 30 DGEERN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(O)c1 ZINC000357343076 265797297 /nfs/dbraw/zinc/79/72/97/265797297.db2.gz YSLAVKAIGHZTSQ-UHFFFAOYSA-N 0 0 322.408 3.491 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182811189 432231758 /nfs/dbraw/zinc/23/17/58/432231758.db2.gz FQJKFLWKBHWCST-MFKMUULPSA-N 0 0 316.323 3.003 10 30 DGEERN CCc1nnc(N[C@@H](C)COCc2ccccc2)c(C#N)c1CC ZINC000390665092 266458274 /nfs/dbraw/zinc/45/82/74/266458274.db2.gz SDOSYVCMHHOFQU-AWEZNQCLSA-N 0 0 324.428 3.490 10 30 DGEERN COc1cc(NCc2nc(C#N)cs2)c(OC)cc1Cl ZINC000352812205 266837340 /nfs/dbraw/zinc/83/73/40/266837340.db2.gz WKLWLVXAJZAEMF-UHFFFAOYSA-N 0 0 309.778 3.297 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O ZINC000272366000 267206892 /nfs/dbraw/zinc/20/68/92/267206892.db2.gz ZHANKPRONCZEQO-VZEFYGNVSA-N 0 0 323.396 3.215 10 30 DGEERN CCn1ncc2ccc(NC(=O)Cc3cccc(C#N)c3)cc21 ZINC000530670826 267263771 /nfs/dbraw/zinc/26/37/71/267263771.db2.gz RNTXYTRNLVPVBM-UHFFFAOYSA-N 0 0 304.353 3.109 10 30 DGEERN CN(C(=O)Cc1cccc(C#N)c1)c1cc(Cl)ccc1C#N ZINC000531680065 267274875 /nfs/dbraw/zinc/27/48/75/267274875.db2.gz DGGUHXHZQYNFIZ-UHFFFAOYSA-N 0 0 309.756 3.289 10 30 DGEERN Cc1cc(NC[C@@H](CO)C2CC2)n2c3ccccc3nc2c1C#N ZINC000357778522 267347405 /nfs/dbraw/zinc/34/74/05/267347405.db2.gz CWZAYKFWOFMHTJ-AWEZNQCLSA-N 0 0 320.396 3.098 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)N(CCC#N)CC1CC1 ZINC000191250568 432239599 /nfs/dbraw/zinc/23/95/99/432239599.db2.gz KPXBRVRGDDEELY-UHFFFAOYSA-N 0 0 323.400 3.338 10 30 DGEERN Cc1[nH]c2ccccc2c1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530912796 267931271 /nfs/dbraw/zinc/93/12/71/267931271.db2.gz PSTXXFHPWCBAGN-UHFFFAOYSA-N 0 0 317.392 3.249 10 30 DGEERN N#Cc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)nc2ccccc12 ZINC000390837505 268000442 /nfs/dbraw/zinc/00/04/42/268000442.db2.gz AULTVPYGUNMMNZ-HNAYVOBHSA-N 0 0 307.397 3.238 10 30 DGEERN N#Cc1ccc(CSCc2ncccn2)c(OC(F)F)c1 ZINC000359035743 268082561 /nfs/dbraw/zinc/08/25/61/268082561.db2.gz NELYTOHDRKVIIF-UHFFFAOYSA-N 0 0 307.325 3.383 10 30 DGEERN N#Cc1ccc(Cl)c(C(=O)NCc2ccc3cc[nH]c3n2)c1 ZINC000359402063 268096525 /nfs/dbraw/zinc/09/65/25/268096525.db2.gz UMAMADKGLMWELU-UHFFFAOYSA-N 0 0 310.744 3.018 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000448906865 268114306 /nfs/dbraw/zinc/11/43/06/268114306.db2.gz GRJWQFUVFXJVLD-QGZVFWFLSA-N 0 0 311.360 3.307 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2cc3c(s2)CCCC3)c1 ZINC000530668904 268276000 /nfs/dbraw/zinc/27/60/00/268276000.db2.gz SIVAKXJFBTUOFH-UHFFFAOYSA-N 0 0 310.422 3.357 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000530675943 268276892 /nfs/dbraw/zinc/27/68/92/268276892.db2.gz FPMMZTHFOQQTBV-QUCCMNQESA-N 0 0 320.392 3.137 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000531386310 268278003 /nfs/dbraw/zinc/27/80/03/268278003.db2.gz VYFLVCYCOYOUHF-UHFFFAOYSA-N 0 0 302.280 3.341 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(-c3ncc[nH]3)c2)c1 ZINC000530913145 268278765 /nfs/dbraw/zinc/27/87/65/268278765.db2.gz AFULISJYAUCRHK-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1nc2c(s1)CSCC2 ZINC000376155532 268303594 /nfs/dbraw/zinc/30/35/94/268303594.db2.gz CTMALWBPVVMLSH-UHFFFAOYSA-N 0 0 307.425 3.118 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000173213328 287676834 /nfs/dbraw/zinc/67/68/34/287676834.db2.gz HJWGYVOLUKIWRH-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc(Cl)nc1C ZINC000270561827 432258969 /nfs/dbraw/zinc/25/89/69/432258969.db2.gz DARLQBQJWWKZBM-UHFFFAOYSA-N 0 0 306.715 3.163 10 30 DGEERN N#Cc1cc(F)ccc1N1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000299747500 274919869 /nfs/dbraw/zinc/91/98/69/274919869.db2.gz DFUFOEXTGHINIQ-HNNXBMFYSA-N 0 0 310.376 3.224 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000278162920 275740677 /nfs/dbraw/zinc/74/06/77/275740677.db2.gz CMBZKKUWTOKJPH-IUODEOHRSA-N 0 0 316.426 3.418 10 30 DGEERN C=CCCc1ccc(-c2ccc(NCCOCCO)nc2)cc1 ZINC000629738237 429963001 /nfs/dbraw/zinc/96/30/01/429963001.db2.gz JYVHCVPKBOIPPF-UHFFFAOYSA-N 0 0 312.413 3.288 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000186099073 276865146 /nfs/dbraw/zinc/86/51/46/276865146.db2.gz IHVKPRXKLRIWQQ-UKRRQHHQSA-N 0 0 301.386 3.282 10 30 DGEERN C=C(C)Cn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453471782 276866832 /nfs/dbraw/zinc/86/68/32/276866832.db2.gz UWQODIWVOIVNMB-QAPCUYQASA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CCOCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000373466872 276873119 /nfs/dbraw/zinc/87/31/19/276873119.db2.gz RFHVHIJTTXRQNU-WBMJQRKESA-N 0 0 324.371 3.402 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000434038599 276873941 /nfs/dbraw/zinc/87/39/41/276873941.db2.gz VCYXUGMJNDQHBA-IAGOWNOFSA-N 0 0 317.404 3.455 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)N3CCCC4(CC4)C3)cc2o1 ZINC000329947335 276896581 /nfs/dbraw/zinc/89/65/81/276896581.db2.gz GWJNULXBJAWNPH-UHFFFAOYSA-N 0 0 314.389 3.315 10 30 DGEERN C=CCn1c(N2CC3(CCC3)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453434228 276912357 /nfs/dbraw/zinc/91/23/57/276912357.db2.gz DZNPKWVEGAFNSE-PBHICJAKSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453441326 276912414 /nfs/dbraw/zinc/91/24/14/276912414.db2.gz OCCDKFVTYUGQMJ-QAPCUYQASA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453432490 276912634 /nfs/dbraw/zinc/91/26/34/276912634.db2.gz BUEOFTJDKWHGDW-KSSFIOAISA-N 0 0 318.465 3.362 10 30 DGEERN CC(=O)NC1(C(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)CCCCC1 ZINC000329428493 277732898 /nfs/dbraw/zinc/73/28/98/277732898.db2.gz GQACQWWLXJIXCO-MAUKXSAKSA-N 0 0 322.449 3.082 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccn([C@H](CCC)C(=O)OCC)n2)C1 ZINC000601667578 430540466 /nfs/dbraw/zinc/54/04/66/430540466.db2.gz VGTQJJKAFIDZFQ-CYBMUJFWSA-N 0 0 319.405 3.082 10 30 DGEERN C=C(C)Cn1c(N2CCC3(CCC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453459192 277785572 /nfs/dbraw/zinc/78/55/72/277785572.db2.gz BSXIOARALCVJDN-KRWDZBQOSA-N 0 0 316.449 3.260 10 30 DGEERN C=C(C)Cn1c(N2CCCC3(CC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453470860 277785587 /nfs/dbraw/zinc/78/55/87/277785587.db2.gz RFXSEEFHVKXLGY-KRWDZBQOSA-N 0 0 316.449 3.260 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1)OCC ZINC000355171872 277800119 /nfs/dbraw/zinc/80/01/19/277800119.db2.gz WTNBIYQKAIZZHM-MPGHIAIKSA-N 0 0 311.466 3.051 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H]1CCCN(C)c2ccccc21)OCC ZINC000456605546 277800128 /nfs/dbraw/zinc/80/01/28/277800128.db2.gz KPVKGTBMMDNCME-WMZOPIPTSA-N 0 0 316.445 3.445 10 30 DGEERN C[C@H](Nc1cc(C#N)c2ccccc2n1)C(=O)N1CCCC[C@@H]1C ZINC000609892765 430564029 /nfs/dbraw/zinc/56/40/29/430564029.db2.gz XXVOOMURAAVURU-KBPBESRZSA-N 0 0 322.412 3.308 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@@](C)(CO)C(C)C)c1ccccc1 ZINC000358800404 277838592 /nfs/dbraw/zinc/83/85/92/277838592.db2.gz BIACSGCEDCAPAQ-WMZOPIPTSA-N 0 0 304.434 3.400 10 30 DGEERN Cc1nc(-c2ccc(CNc3ccc(C#N)nn3)s2)cs1 ZINC000611239158 430568429 /nfs/dbraw/zinc/56/84/29/430568429.db2.gz ILTISKCTJJAOSS-UHFFFAOYSA-N 0 0 313.411 3.454 10 30 DGEERN CC(C)(C#N)CNc1ncnc2ccc(Br)cc21 ZINC000611617991 430568808 /nfs/dbraw/zinc/56/88/08/430568808.db2.gz YSRPMPTYJCWMOF-UHFFFAOYSA-N 0 0 305.179 3.354 10 30 DGEERN Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(C)[nH]1 ZINC000611572862 430569166 /nfs/dbraw/zinc/56/91/66/430569166.db2.gz XYIHCCKXZZOSCS-UHFFFAOYSA-N 0 0 323.331 3.080 10 30 DGEERN N#Cc1c(C#N)c2c(nc1NCC[C@@H]1CCOC1)CCCCCC2 ZINC000619489686 430597084 /nfs/dbraw/zinc/59/70/84/430597084.db2.gz CXJRPTFODAARSG-CQSZACIVSA-N 0 0 324.428 3.322 10 30 DGEERN C=CCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453432488 277894133 /nfs/dbraw/zinc/89/41/33/277894133.db2.gz BUEOFTJDKWHGDW-KDOFPFPSSA-N 0 0 318.465 3.362 10 30 DGEERN CC1(C)CC[C@@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000192992767 278268650 /nfs/dbraw/zinc/26/86/50/278268650.db2.gz LKBGCHAKQGHPKR-QGZVFWFLSA-N 0 0 305.381 3.496 10 30 DGEERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)n1C ZINC000449904063 278483914 /nfs/dbraw/zinc/48/39/14/278483914.db2.gz VDQULSMAZFZNCO-GXTWGEPZSA-N 0 0 311.360 3.054 10 30 DGEERN C=CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000110361647 431185790 /nfs/dbraw/zinc/18/57/90/431185790.db2.gz OJYPBEIJCCYVPB-DYVFJYSZSA-N 0 0 312.413 3.319 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000247234081 279458376 /nfs/dbraw/zinc/45/83/76/279458376.db2.gz WLVFOAQURXPBCN-JLVBRIDZSA-N 0 0 314.429 3.499 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C1CC1 ZINC000108829548 431156360 /nfs/dbraw/zinc/15/63/60/431156360.db2.gz MKWYHUSBEHLNIC-OAHLLOKOSA-N 0 0 314.316 3.030 10 30 DGEERN Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)C3CC3)cs2)c1 ZINC000108831525 431156957 /nfs/dbraw/zinc/15/69/57/431156957.db2.gz SKLZYGKXEFZXOQ-OAHLLOKOSA-N 0 0 311.410 3.079 10 30 DGEERN COc1ccc2cc([C@H](C)C(=O)N[C@H](C#N)C3CC3)ccc2c1 ZINC000108831777 431157431 /nfs/dbraw/zinc/15/74/31/431157431.db2.gz ZOSSGMKYTQLNPQ-KPZWWZAWSA-N 0 0 308.381 3.370 10 30 DGEERN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000108829241 431157877 /nfs/dbraw/zinc/15/78/77/431157877.db2.gz IWCCOWGFENXXRK-BLLLJJGKSA-N 0 0 300.402 3.170 10 30 DGEERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000070549226 431252962 /nfs/dbraw/zinc/25/29/62/431252962.db2.gz CQLHBRPSJGBGRH-ZIAGYGMSSA-N 0 0 306.431 3.053 10 30 DGEERN COc1ccc(CC2CCN(C[C@H](C#N)CCC#N)CC2)cc1 ZINC000112560143 431285194 /nfs/dbraw/zinc/28/51/94/431285194.db2.gz IFSOFIZYPYSLPB-SFHVURJKSA-N 0 0 311.429 3.393 10 30 DGEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(C)COC1 ZINC000112738247 431302861 /nfs/dbraw/zinc/30/28/61/431302861.db2.gz OKCKIIABTWFRNG-LBPRGKRZSA-N 0 0 319.430 3.239 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000112861051 431310560 /nfs/dbraw/zinc/31/05/60/431310560.db2.gz LKSQDLHTFCBMGP-GFCCVEGCSA-N 0 0 305.337 3.446 10 30 DGEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@@]21C ZINC000005764428 431313308 /nfs/dbraw/zinc/31/33/08/431313308.db2.gz KQJCDKMHNQVWDV-BKRJIHRRSA-N 0 0 312.409 3.318 10 30 world DGEERN C=CCNC(=O)c1ccc(N2CCC[C@]3(CC=CCC3)C2)nc1 ZINC000114451478 431389815 /nfs/dbraw/zinc/38/98/15/431389815.db2.gz ZIIIDDRHNYLULY-LJQANCHMSA-N 0 0 311.429 3.324 10 30 DGEERN N#Cc1cnc(N2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000114709129 431407961 /nfs/dbraw/zinc/40/79/61/431407961.db2.gz VLJPBIAVZPAIDC-NSHDSACASA-N 0 0 304.806 3.447 10 30 DGEERN C=C(C)CN(CC)C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000117053101 431544996 /nfs/dbraw/zinc/54/49/96/431544996.db2.gz QVNNQAPYIAXDEQ-UHFFFAOYSA-N 0 0 303.381 3.457 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000076490556 431553056 /nfs/dbraw/zinc/55/30/56/431553056.db2.gz SASDZPIGRXQTKF-UHFFFAOYSA-N 0 0 303.362 3.207 10 30 DGEERN N#Cc1ccccc1OCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117723173 431576199 /nfs/dbraw/zinc/57/61/99/431576199.db2.gz SAEFOUFEXIVNBE-UHFFFAOYSA-N 0 0 324.405 3.314 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000188956610 280316352 /nfs/dbraw/zinc/31/63/52/280316352.db2.gz AVWAMRBLHGTPHP-INIZCTEOSA-N 0 0 310.328 3.259 10 30 DGEERN CC(C)COC1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077498458 431602999 /nfs/dbraw/zinc/60/29/99/431602999.db2.gz BKLMLYUULMVKPY-UHFFFAOYSA-N 0 0 319.380 3.366 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000077861374 431625915 /nfs/dbraw/zinc/62/59/15/431625915.db2.gz VLXNSVVKSJYEBF-UHFFFAOYSA-N 0 0 315.200 3.357 10 30 DGEERN Cc1cccc(C(=O)NC2(C#N)CCCC2)c1Br ZINC000118953541 431627233 /nfs/dbraw/zinc/62/72/33/431627233.db2.gz CNVZDHVQWDZBRI-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCCC2)ccc1Br ZINC000118953919 431627261 /nfs/dbraw/zinc/62/72/61/431627261.db2.gz UGGJTLHJXVRPQN-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN C#CCSCCNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000119059554 431640459 /nfs/dbraw/zinc/64/04/59/431640459.db2.gz BTXHOFOOLFYZGC-INIZCTEOSA-N 0 0 314.410 3.035 10 30 DGEERN Cc1cc(N2CCN(c3ccccc3C)CC2)c(C#N)c(C)n1 ZINC000301789880 280560037 /nfs/dbraw/zinc/56/00/37/280560037.db2.gz QHOOIUZMSPFRIM-UHFFFAOYSA-N 0 0 306.413 3.205 10 30 DGEERN COCC(=O)O[C@@H]1C#CCCCCC#C/C1=C\c1ccccc1 ZINC000027877567 431694967 /nfs/dbraw/zinc/69/49/67/431694967.db2.gz XTRDOKQHVIOOCU-LRXXLLMYSA-N 0 0 308.377 3.209 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 ZINC000119460478 431696103 /nfs/dbraw/zinc/69/61/03/431696103.db2.gz XAETUKABKBMXOL-LBPRGKRZSA-N 0 0 301.390 3.361 10 30 DGEERN N#CC1(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCC1 ZINC000119252695 431664127 /nfs/dbraw/zinc/66/41/27/431664127.db2.gz PKXQOXHYIZYIOK-CYBMUJFWSA-N 0 0 319.202 3.246 10 30 DGEERN C=CCCCC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000081639154 431800581 /nfs/dbraw/zinc/80/05/81/431800581.db2.gz NCJZUMGBMZQJHD-AWEZNQCLSA-N 0 0 303.402 3.376 10 30 DGEERN COc1ccc(SCCC(=O)NC2(C#N)CCCC2)cc1 ZINC000122064975 431810637 /nfs/dbraw/zinc/81/06/37/431810637.db2.gz NBFNXYKNXOQXND-UHFFFAOYSA-N 0 0 304.415 3.130 10 30 DGEERN CCOc1ccc(CNC(=O)c2cc(C#N)cs2)cc1F ZINC000084108373 431815625 /nfs/dbraw/zinc/81/56/25/431815625.db2.gz BOKNUMJCZXCTJK-UHFFFAOYSA-N 0 0 304.346 3.088 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 ZINC000084109485 431816326 /nfs/dbraw/zinc/81/63/26/431816326.db2.gz ALBJQKJOCNSFCZ-IUODEOHRSA-N 0 0 312.394 3.222 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000080738105 431775498 /nfs/dbraw/zinc/77/54/98/431775498.db2.gz ZNPVBFSKJURAKP-SJORKVTESA-N 0 0 308.385 3.170 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000080943628 431779708 /nfs/dbraw/zinc/77/97/08/431779708.db2.gz XEIVZKIYYMOFKE-MRXNPFEDSA-N 0 0 313.788 3.431 10 30 DGEERN CN(CCc1cccc2ccccc21)C(=O)c1cc(C#N)cn1C ZINC000081079608 431781247 /nfs/dbraw/zinc/78/12/47/431781247.db2.gz XZDUBXKBCYVFLL-UHFFFAOYSA-N 0 0 317.392 3.365 10 30 DGEERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000081000168 431783604 /nfs/dbraw/zinc/78/36/04/431783604.db2.gz WAYJOAIWZZGTQH-NSHDSACASA-N 0 0 301.777 3.383 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)c1coc(Br)c1 ZINC000032618485 431784347 /nfs/dbraw/zinc/78/43/47/431784347.db2.gz KPFBIRCZSNZIJK-UHFFFAOYSA-N 0 0 319.158 3.186 10 30 DGEERN CCN(CC)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C#N ZINC000089194852 431861271 /nfs/dbraw/zinc/86/12/71/431861271.db2.gz NBCGQUAUBRFHRC-UHFFFAOYSA-N 0 0 304.394 3.334 10 30 DGEERN C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)C1CCOCC1 ZINC000122249214 431822561 /nfs/dbraw/zinc/82/25/61/431822561.db2.gz GYTWWHYMHCCFHW-NSHDSACASA-N 0 0 306.793 3.237 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@@H](CSc2ncccc2C#N)C1 ZINC000085333684 431837987 /nfs/dbraw/zinc/83/79/87/431837987.db2.gz UENNACIZDHGYRC-GFCCVEGCSA-N 0 0 319.430 3.302 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@H](Sc2cc(C#N)ccn2)C1 ZINC000085333716 431839086 /nfs/dbraw/zinc/83/90/86/431839086.db2.gz LDQPHESVKQNCKO-LBPRGKRZSA-N 0 0 305.403 3.055 10 30 DGEERN N#CCc1ccc(NC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 ZINC000125420383 431924439 /nfs/dbraw/zinc/92/44/39/431924439.db2.gz GNNVVCCFGDXPFO-UHFFFAOYSA-N 0 0 318.340 3.182 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2ccon2)cc1 ZINC000091101373 431903350 /nfs/dbraw/zinc/90/33/50/431903350.db2.gz YDDMSOGWTITMGT-UHFFFAOYSA-N 0 0 303.321 3.143 10 30 DGEERN N#Cc1ccc2ncc(CN3CCCC[C@H]3c3nccs3)n2c1 ZINC000127659985 431977372 /nfs/dbraw/zinc/97/73/72/431977372.db2.gz LCYWAFGYKPYFCC-HNNXBMFYSA-N 0 0 323.425 3.390 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000125688956 431933648 /nfs/dbraw/zinc/93/36/48/431933648.db2.gz JFNCWVOMUGXQJA-CQSZACIVSA-N 0 0 320.433 3.242 10 30 DGEERN C=C[C@@]1(C)CC[C@H]2[C@@](O)(CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@@]32C)C1 ZINC000098214432 431980744 /nfs/dbraw/zinc/98/07/44/431980744.db2.gz RWSPPPHWQNMROI-LFGUEBOJSA-N 0 0 322.489 3.280 10 30 DGEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@H](c2ccc(Cl)cc2)O1 ZINC000100297277 431981419 /nfs/dbraw/zinc/98/14/19/431981419.db2.gz JCXANWKZHBEIHA-INIZCTEOSA-N 0 0 314.772 3.272 10 30 DGEERN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O ZINC000100485084 431982072 /nfs/dbraw/zinc/98/20/72/431982072.db2.gz YIKKAWCVYBMOAK-DHDCSXOGSA-N 0 0 316.273 3.045 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NCCc1ccsc1 ZINC000056643089 431989193 /nfs/dbraw/zinc/98/91/93/431989193.db2.gz DRLAAWQVHZARCC-UHFFFAOYSA-N 0 0 315.398 3.383 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000128403272 431993588 /nfs/dbraw/zinc/99/35/88/431993588.db2.gz IIPAPYMROGDEEN-NVXWUHKLSA-N 0 0 300.402 3.048 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000128379206 431992756 /nfs/dbraw/zinc/99/27/56/431992756.db2.gz ACILWNSBLRNXHH-ZIAGYGMSSA-N 0 0 321.852 3.303 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000173431930 432277491 /nfs/dbraw/zinc/27/74/91/432277491.db2.gz NZQGFDIUIUKWDE-HNNXBMFYSA-N 0 0 311.410 3.343 10 30 DGEERN C[C@H](C#N)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000248459145 432293870 /nfs/dbraw/zinc/29/38/70/432293870.db2.gz NLAHBARLDSBXPU-DGCLKSJQSA-N 0 0 316.792 3.481 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OC[C@H]1CC2(CCC2)C(=O)O1 ZINC000191718038 432295463 /nfs/dbraw/zinc/29/54/63/432295463.db2.gz QNNITJRWNDHNNG-CQSZACIVSA-N 0 0 317.341 3.188 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248551665 432300407 /nfs/dbraw/zinc/30/04/07/432300407.db2.gz ISQCHIAIKIFGSA-RDJZCZTQSA-N 0 0 304.821 3.339 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000128443785 431994511 /nfs/dbraw/zinc/99/45/11/431994511.db2.gz ICKPJEBSQPAUPG-CQSZACIVSA-N 0 0 302.418 3.234 10 30 DGEERN Cc1cc([C@@H]2CN(C(=O)c3ccc(C#N)cc3)CCO2)ccc1F ZINC000128768752 431999970 /nfs/dbraw/zinc/99/99/70/431999970.db2.gz CCHQHJSJFKKZIH-SFHVURJKSA-N 0 0 324.355 3.220 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000248765436 432317484 /nfs/dbraw/zinc/31/74/84/432317484.db2.gz NUGZNQDWUSCTMT-UHOFOFEASA-N 0 0 319.364 3.166 10 30 DGEERN Fc1ccc([C@H]2CN(CC#Cc3ccccc3)CCO2)cc1F ZINC000191985963 432319908 /nfs/dbraw/zinc/31/99/08/432319908.db2.gz YIRSGTPJXFKAJE-LJQANCHMSA-N 0 0 313.347 3.390 10 30 DGEERN Cc1ccc2cc(C(=O)NCCOc3ccc(C#N)cc3)[nH]c2c1 ZINC000174154948 432324594 /nfs/dbraw/zinc/32/45/94/432324594.db2.gz HGHMLVFSODQQQV-UHFFFAOYSA-N 0 0 319.364 3.157 10 30 DGEERN C[C@H](NCc1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000192186089 432343113 /nfs/dbraw/zinc/34/31/13/432343113.db2.gz QHMVOVSUWNOOON-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2coc3ccccc23)cc1 ZINC000173879882 432304357 /nfs/dbraw/zinc/30/43/57/432304357.db2.gz BZDDESKFJPMMSD-UHFFFAOYSA-N 0 0 306.321 3.113 10 30 DGEERN CC1(C)CCC[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000183655064 432313350 /nfs/dbraw/zinc/31/33/50/432313350.db2.gz VRCHFLBQJWVLGU-CYBMUJFWSA-N 0 0 323.400 3.294 10 30 DGEERN Cc1cccc(NC(=O)CN(C)CC#Cc2ccccc2)c1C ZINC000191923939 432314271 /nfs/dbraw/zinc/31/42/71/432314271.db2.gz FPCWESQLCBYLGL-UHFFFAOYSA-N 0 0 306.409 3.225 10 30 DGEERN CCN(CC#Cc1ccccc1)CC(=O)Nc1cccc(OC)c1 ZINC000191923446 432314562 /nfs/dbraw/zinc/31/45/62/432314562.db2.gz QPLPXRKHRUKGPX-UHFFFAOYSA-N 0 0 322.408 3.007 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000191947309 432315689 /nfs/dbraw/zinc/31/56/89/432315689.db2.gz BFNLEEMTNHRXPJ-DOMZBBRYSA-N 0 0 300.402 3.002 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000153169269 432388521 /nfs/dbraw/zinc/38/85/21/432388521.db2.gz OVLLTKYZLADLMX-INIZCTEOSA-N 0 0 314.429 3.159 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000153281868 432397755 /nfs/dbraw/zinc/39/77/55/432397755.db2.gz HQKBHYXEUCXNBN-JSGCOSHPSA-N 0 0 307.438 3.105 10 30 DGEERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CCC#N ZINC000253480056 432398517 /nfs/dbraw/zinc/39/85/17/432398517.db2.gz URLKWCQYJWRXKH-UHFFFAOYSA-N 0 0 307.419 3.027 10 30 DGEERN O=C1c2ccc3c4c(ccc(c42)C(=O)N1N=Cc1ccco1)CC3 ZINC000254497189 432403851 /nfs/dbraw/zinc/40/38/51/432403851.db2.gz KDWCLMUPDVZXND-UHFFFAOYSA-N 0 0 316.316 3.162 10 30 DGEERN C[C@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccnc1 ZINC000174578499 432359017 /nfs/dbraw/zinc/35/90/17/432359017.db2.gz PKRHQFNUSFQJAR-JTQLQIEISA-N 0 0 317.295 3.297 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000192376450 432367075 /nfs/dbraw/zinc/36/70/75/432367075.db2.gz NQMDFTAJTPSOOD-GFCCVEGCSA-N 0 0 316.380 3.315 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC000184774284 432431814 /nfs/dbraw/zinc/43/18/14/432431814.db2.gz SXZRIGWVHGWOME-IRXDYDNUSA-N 0 0 300.402 3.190 10 30 DGEERN COc1ccc(N(C(=O)c2ccnc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000193037918 432441807 /nfs/dbraw/zinc/44/18/07/432441807.db2.gz SCXCXDSSLFJZQT-CYBMUJFWSA-N 0 0 321.380 3.407 10 30 DGEERN C=CCOc1ccc(CN2CCC[C@H](NC(C)=O)C2)cc1Cl ZINC000153825236 432446228 /nfs/dbraw/zinc/44/62/28/432446228.db2.gz BNLRCTWGMYKLJB-HNNXBMFYSA-N 0 0 322.836 3.005 10 30 DGEERN C=CCn1c(SCOC(=O)c2ccccc2)nnc1C1CC1 ZINC000175232281 432413824 /nfs/dbraw/zinc/41/38/24/432413824.db2.gz VTQZCWOQAOGUSJ-UHFFFAOYSA-N 0 0 315.398 3.248 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2sccc2C#N)s1 ZINC000175266946 432418203 /nfs/dbraw/zinc/41/82/03/432418203.db2.gz DHJITHNZEXOODC-MRVPVSSYSA-N 0 0 307.400 3.344 10 30 DGEERN Cc1nnc([C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)[nH]1 ZINC000154164341 432478719 /nfs/dbraw/zinc/47/87/19/432478719.db2.gz BIRPHNZJDVEHCG-SCLBCKFNSA-N 0 0 317.396 3.425 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(C)noc1CC ZINC000193576542 432483411 /nfs/dbraw/zinc/48/34/11/432483411.db2.gz JOAWIXIIHYYWRH-UHFFFAOYSA-N 0 0 314.385 3.382 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000185531796 432509279 /nfs/dbraw/zinc/50/92/79/432509279.db2.gz HMBAOGKPXSXRJO-OAHLLOKOSA-N 0 0 314.429 3.074 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000185570966 432512095 /nfs/dbraw/zinc/51/20/95/432512095.db2.gz AYCPBGFHGCBFLB-AEFFLSMTSA-N 0 0 300.446 3.370 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000185955520 432549067 /nfs/dbraw/zinc/54/90/67/432549067.db2.gz TYGKODVADCWOFU-HNNXBMFYSA-N 0 0 301.390 3.110 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000185978980 432551653 /nfs/dbraw/zinc/55/16/53/432551653.db2.gz SOGDRMGYANJYPZ-MRXNPFEDSA-N 0 0 318.417 3.204 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000186014872 432553417 /nfs/dbraw/zinc/55/34/17/432553417.db2.gz LRIRAKTVDNBLBR-AWEZNQCLSA-N 0 0 312.417 3.221 10 30 DGEERN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C=O)[C@H]1CCC2=O ZINC000263611948 432558959 /nfs/dbraw/zinc/55/89/59/432558959.db2.gz XRCFMDPVHKVRDJ-RFLLJTPXSA-N 0 0 300.398 3.266 10 30 DGEERN CCc1cc(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)n[nH]1 ZINC000193999145 432515528 /nfs/dbraw/zinc/51/55/28/432515528.db2.gz RFTAPVOFTRJBOE-UHFFFAOYSA-N 0 0 300.366 3.044 10 30 DGEERN CC#CCCCC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000185627401 432519161 /nfs/dbraw/zinc/51/91/61/432519161.db2.gz KHVYJZVBSLLMBR-UHFFFAOYSA-N 0 0 318.486 3.148 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000185740681 432529209 /nfs/dbraw/zinc/52/92/09/432529209.db2.gz XFWBUWVIVNGBMR-NVXWUHKLSA-N 0 0 317.429 3.127 10 30 DGEERN CC(C)[C@@H](CNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000194299560 432540307 /nfs/dbraw/zinc/54/03/07/432540307.db2.gz DBBLMZYQHCROLG-QGZVFWFLSA-N 0 0 307.397 3.198 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000185943659 432547844 /nfs/dbraw/zinc/54/78/44/432547844.db2.gz AZSHFEAPTVWRCE-INIZCTEOSA-N 0 0 313.372 3.468 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000185947247 432547913 /nfs/dbraw/zinc/54/79/13/432547913.db2.gz WCJMJEKNEBGZII-HNNXBMFYSA-N 0 0 324.424 3.396 10 30 DGEERN CC(C)c1nnc(CN(Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000195118266 432605161 /nfs/dbraw/zinc/60/51/61/432605161.db2.gz FOVSYRAICMHFMR-UHFFFAOYSA-N 0 0 311.433 3.221 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186549971 432607275 /nfs/dbraw/zinc/60/72/75/432607275.db2.gz RVQXSNRQSJGQSC-INIZCTEOSA-N 0 0 316.449 3.048 10 30 DGEERN CC(C)N(CC1CCC1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000195148256 432609812 /nfs/dbraw/zinc/60/98/12/432609812.db2.gz PEGNWYFVTXUDSY-CQSZACIVSA-N 0 0 300.402 3.363 10 30 DGEERN C=CC[C@@H](C(=O)NCCc1c(C)nn(C)c1C)c1ccccc1 ZINC000186629754 432614672 /nfs/dbraw/zinc/61/46/72/432614672.db2.gz HYFOHRPIKINKMC-GOSISDBHSA-N 0 0 311.429 3.056 10 30 DGEERN CCCCCCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195275562 432616265 /nfs/dbraw/zinc/61/62/65/432616265.db2.gz DMDHGNSMSVLRCD-AWEZNQCLSA-N 0 0 306.454 3.193 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000273604555 432616508 /nfs/dbraw/zinc/61/65/08/432616508.db2.gz SUMDBEGQTMLOJZ-INIZCTEOSA-N 0 0 317.429 3.018 10 30 DGEERN C=CCNC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000155673938 432568057 /nfs/dbraw/zinc/56/80/57/432568057.db2.gz HAJHFICWJJMJLN-LBPRGKRZSA-N 0 0 317.801 3.373 10 30 DGEERN N#Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000194710010 432570444 /nfs/dbraw/zinc/57/04/44/432570444.db2.gz OIHKPAGRJHARSZ-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN C[C@H](CC#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000194746034 432573628 /nfs/dbraw/zinc/57/36/28/432573628.db2.gz KRFRIIFLCYDTNK-BDAKNGLRSA-N 0 0 301.173 3.179 10 30 DGEERN Cc1cc(C#N)ccc1CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000186331008 432583240 /nfs/dbraw/zinc/58/32/40/432583240.db2.gz CVTJPQAFZIIRQP-HNNXBMFYSA-N 0 0 317.396 3.298 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000186342725 432584292 /nfs/dbraw/zinc/58/42/92/432584292.db2.gz AOUSXRUUNPCXBX-SNVBAGLBSA-N 0 0 302.346 3.060 10 30 DGEERN Clc1ccc(C#CCN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000177095584 432584457 /nfs/dbraw/zinc/58/44/57/432584457.db2.gz BMXALZDSPRNTNH-OAHLLOKOSA-N 0 0 318.829 3.222 10 30 DGEERN C=CCOc1cccc(NC(=O)N(C)[C@H](CO)CC(C)C)c1 ZINC000186435763 432594893 /nfs/dbraw/zinc/59/48/93/432594893.db2.gz LRDSHLYQDRQDSI-HNNXBMFYSA-N 0 0 306.406 3.122 10 30 DGEERN C=C(C)CNC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000156408729 432595863 /nfs/dbraw/zinc/59/58/63/432595863.db2.gz IOZLKLUJJONZJB-AWEZNQCLSA-N 0 0 321.852 3.304 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000273435815 432599789 /nfs/dbraw/zinc/59/97/89/432599789.db2.gz LZFKWMROXBGFSU-VIFPVBQESA-N 0 0 304.724 3.336 10 30 DGEERN Cc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1 ZINC000186660813 432619057 /nfs/dbraw/zinc/61/90/57/432619057.db2.gz KZSFPIGZOVUHRS-UHFFFAOYSA-N 0 0 320.440 3.282 10 30 DGEERN C=CC[C@H](C)[C@@H](C)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000186655535 432620183 /nfs/dbraw/zinc/62/01/83/432620183.db2.gz CGRVBJPIMGOPNA-QWHCGFSZSA-N 0 0 308.447 3.021 10 30 DGEERN CCCCCCCS(=O)(=O)NCc1ccc(Cl)cn1 ZINC000195445368 432623279 /nfs/dbraw/zinc/62/32/79/432623279.db2.gz GCWOKZGDFPPJSC-UHFFFAOYSA-N 0 0 304.843 3.125 10 30 DGEERN C=CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccccc1 ZINC000186940603 432638003 /nfs/dbraw/zinc/63/80/03/432638003.db2.gz GCHWXIVXJPICPN-OTWHNJEPSA-N 0 0 307.393 3.121 10 30 DGEERN COc1ccc(CN(C)C(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000187150709 432648631 /nfs/dbraw/zinc/64/86/31/432648631.db2.gz JVAAMNAUMMIOBD-UHFFFAOYSA-N 0 0 320.392 3.257 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000274317061 432651288 /nfs/dbraw/zinc/65/12/88/432651288.db2.gz ZRGDKYHDJYAVBZ-CHWSQXEVSA-N 0 0 321.417 3.492 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)c(C#N)c1 ZINC000158626378 432653375 /nfs/dbraw/zinc/65/33/75/432653375.db2.gz OBQBDSRFXUMCBF-UHFFFAOYSA-N 0 0 317.327 3.184 10 30 DGEERN C=CCC[C@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051648 432700798 /nfs/dbraw/zinc/70/07/98/432700798.db2.gz CIOIFPIDOBLYJV-HKUYNNGSSA-N 0 0 323.440 3.486 10 30 DGEERN C=CCC[C@@H](NC(=O)NCC1(CCO)CC1)c1ccccc1 ZINC000187647237 432675255 /nfs/dbraw/zinc/67/52/55/432675255.db2.gz LAMWKQGYUULYQK-MRXNPFEDSA-N 0 0 302.418 3.156 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187713504 432678480 /nfs/dbraw/zinc/67/84/80/432678480.db2.gz HKMIVKVXRBLCMQ-UHFFFAOYSA-N 0 0 315.376 3.120 10 30 DGEERN C=C(C)[C@@H](NCc1nsc(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000187779296 432684555 /nfs/dbraw/zinc/68/45/55/432684555.db2.gz MTAGJEKJYMTWTF-CQSZACIVSA-N 0 0 324.400 3.289 10 30 DGEERN CC(=O)c1ccccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187836879 432688030 /nfs/dbraw/zinc/68/80/30/432688030.db2.gz ZFLHYVAMZSXMSG-UHFFFAOYSA-N 0 0 304.349 3.431 10 30 DGEERN COCCn1c(C)c(C)nc1SCC#Cc1ccccc1 ZINC000187851773 432689991 /nfs/dbraw/zinc/68/99/91/432689991.db2.gz WPLKYMPFKCHAPY-UHFFFAOYSA-N 0 0 300.427 3.290 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000265935429 432747606 /nfs/dbraw/zinc/74/76/06/432747606.db2.gz MPLPIULJCXJOTF-UHFFFAOYSA-N 0 0 305.422 3.292 10 30 DGEERN CC(C)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000188981991 432756619 /nfs/dbraw/zinc/75/66/19/432756619.db2.gz FOGSUSFDUSPWQK-UHFFFAOYSA-N 0 0 319.408 3.079 10 30 DGEERN CCSc1cc(CNC(=O)c2ccc(C#N)cc2C)ccn1 ZINC000189083326 432762330 /nfs/dbraw/zinc/76/23/30/432762330.db2.gz NFONWTREQIFXES-UHFFFAOYSA-N 0 0 311.410 3.304 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(NC(C)=O)ccc1C ZINC000189100316 432764061 /nfs/dbraw/zinc/76/40/61/432764061.db2.gz LSXQACXWZWUDQF-UHFFFAOYSA-N 0 0 314.307 3.144 10 30 DGEERN Cc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)s1 ZINC000178700725 432768914 /nfs/dbraw/zinc/76/89/14/432768914.db2.gz RTRCIJGGLXORJV-LLVKDONJSA-N 0 0 310.382 3.137 10 30 DGEERN C=CCCN(C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000276064421 432770708 /nfs/dbraw/zinc/77/07/08/432770708.db2.gz JBKJNPMRAOKNAM-UHFFFAOYSA-N 0 0 315.186 3.306 10 30 DGEERN Cc1cccc2nc(C3CCN(C(=O)C(C)(C)C#N)CC3)oc21 ZINC000188523461 432730284 /nfs/dbraw/zinc/73/02/84/432730284.db2.gz BNDGMQSQCBRPIO-UHFFFAOYSA-N 0 0 311.385 3.392 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000160810955 432743099 /nfs/dbraw/zinc/74/30/99/432743099.db2.gz XRESXFMAOAXPME-PXAZEXFGSA-N 0 0 320.820 3.480 10 30 DGEERN C=CC[C@H](CO)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000188796896 432745092 /nfs/dbraw/zinc/74/50/92/432745092.db2.gz OALKMASGZUPEDT-OAHLLOKOSA-N 0 0 309.837 3.352 10 30 DGEERN CCC(C)(CC)NC(=O)Nc1ncccc1OCCCC#N ZINC000188781142 432746037 /nfs/dbraw/zinc/74/60/37/432746037.db2.gz ZULVHGGLYAGBGX-UHFFFAOYSA-N 0 0 304.394 3.464 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000162954310 432839064 /nfs/dbraw/zinc/83/90/64/432839064.db2.gz VYWYMXPURXHCLO-DNVCBOLYSA-N 0 0 320.392 3.469 10 30 DGEERN Cc1nc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc(C2CC2)n1 ZINC000189472200 432789453 /nfs/dbraw/zinc/78/94/53/432789453.db2.gz XIAMCDWQAAOKME-UHFFFAOYSA-N 0 0 318.380 3.204 10 30 DGEERN Cc1ccc(C#N)c(N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000161820760 432800188 /nfs/dbraw/zinc/80/01/88/432800188.db2.gz JCZFUKAUHSVYEN-ZDUSSCGKSA-N 0 0 313.792 3.001 10 30 DGEERN N#CC1(C(=O)N2CCO[C@@H](c3cccs3)C2)CCCCC1 ZINC000161969898 432806433 /nfs/dbraw/zinc/80/64/33/432806433.db2.gz HZVFGEWEHUXFQA-CYBMUJFWSA-N 0 0 304.415 3.122 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000276423612 432807119 /nfs/dbraw/zinc/80/71/19/432807119.db2.gz HPBAMYUDBPWSSA-CYBMUJFWSA-N 0 0 313.319 3.389 10 30 DGEERN Cc1nnc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)c(C#N)c1C ZINC000277626921 432864858 /nfs/dbraw/zinc/86/48/58/432864858.db2.gz CTWCFKMROGXSNO-VIFPVBQESA-N 0 0 309.325 3.170 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000277669616 432868603 /nfs/dbraw/zinc/86/86/03/432868603.db2.gz MHUKPUYUGHWOOY-UHFFFAOYSA-N 0 0 309.287 3.229 10 30 DGEERN C#CCC(CC#C)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000277667874 432868643 /nfs/dbraw/zinc/86/86/43/432868643.db2.gz MEUCLTRHKHBBRZ-UXHICEINSA-N 0 0 323.436 3.242 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000154501178 292682341 /nfs/dbraw/zinc/68/23/41/292682341.db2.gz XTWIZVYMPQWAQF-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN Cc1c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cccc1NC(=O)N(C)C ZINC000329918663 432883703 /nfs/dbraw/zinc/88/37/03/432883703.db2.gz RIAUGKCKTBTXPY-KCPJHIHWSA-N 0 0 317.389 3.115 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000288364047 432891206 /nfs/dbraw/zinc/89/12/06/432891206.db2.gz IRYAFFNUTHKTRR-VIFPVBQESA-N 0 0 314.332 3.002 10 30 DGEERN COc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330112404 432893068 /nfs/dbraw/zinc/89/30/68/432893068.db2.gz BWCVWULUAPUBNA-CQSZACIVSA-N 0 0 310.781 3.005 10 30 DGEERN CCc1cc(C)c(C(=O)Nc2nn(C(C)(C)C)cc2C#N)o1 ZINC000163069238 432842075 /nfs/dbraw/zinc/84/20/75/432842075.db2.gz BPRNRLDOPISSLY-UHFFFAOYSA-N 0 0 300.362 3.226 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCC(C)(F)F ZINC000296579589 432923389 /nfs/dbraw/zinc/92/33/89/432923389.db2.gz JEKFHRORLPRGKB-OAHLLOKOSA-N 0 0 308.372 3.356 10 30 DGEERN C=CC[C@H](C(=O)NCC1(CO)CC2(CCC2)C1)c1ccccc1 ZINC000279110862 432935578 /nfs/dbraw/zinc/93/55/78/432935578.db2.gz KSGYZDVRWXJRPP-KRWDZBQOSA-N 0 0 313.441 3.405 10 30 DGEERN C=C[C@@H](CC(=O)NCC1(CO)CC2(CCC2)C1)c1ccccc1 ZINC000279171832 432941915 /nfs/dbraw/zinc/94/19/15/432941915.db2.gz RIOLUZRPFABDAI-INIZCTEOSA-N 0 0 313.441 3.405 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296974201 432944675 /nfs/dbraw/zinc/94/46/75/432944675.db2.gz NLCVIIPNVLCVCN-SECBINFHSA-N 0 0 305.325 3.130 10 30 DGEERN C=CC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000297009916 432949125 /nfs/dbraw/zinc/94/91/25/432949125.db2.gz GJVYPZQNCLAGSH-CABCVRRESA-N 0 0 308.372 3.038 10 30 DGEERN Cc1noc(C)c1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000330260740 432900844 /nfs/dbraw/zinc/90/08/44/432900844.db2.gz SVRFVSHFGCRLHF-CQSZACIVSA-N 0 0 307.394 3.261 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC[C@H](O)[C@@H]2C)c1 ZINC000296384233 432902651 /nfs/dbraw/zinc/90/26/51/432902651.db2.gz FXFBCHJWYJWCTO-BBRMVZONSA-N 0 0 304.390 3.019 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000296480088 432913456 /nfs/dbraw/zinc/91/34/56/432913456.db2.gz YIRXTTMJIRGIPU-MSOLQXFVSA-N 0 0 317.429 3.033 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000297102776 432958561 /nfs/dbraw/zinc/95/85/61/432958561.db2.gz WNMIOFHVMMTVNN-VIFPVBQESA-N 0 0 307.341 3.354 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000280278591 433026798 /nfs/dbraw/zinc/02/67/98/433026798.db2.gz QEWYINIWUNFHQA-QGZVFWFLSA-N 0 0 315.457 3.493 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000297943464 433033548 /nfs/dbraw/zinc/03/35/48/433033548.db2.gz RNVVHUKNZJWWPM-KRWDZBQOSA-N 0 0 314.429 3.083 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000290382448 433041466 /nfs/dbraw/zinc/04/14/66/433041466.db2.gz MWHBVMNKNMCGEM-UKRRQHHQSA-N 0 0 314.437 3.053 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000155704562 292714317 /nfs/dbraw/zinc/71/43/17/292714317.db2.gz CWIBENJXCQVWAK-GFCCVEGCSA-N 0 0 321.336 3.366 10 30 DGEERN C=CCN(CC=C)C(=O)CSCc1cc(C(C)(C)C)on1 ZINC000419594879 433057493 /nfs/dbraw/zinc/05/74/93/433057493.db2.gz NYPVNZUWWGCILF-UHFFFAOYSA-N 0 0 308.447 3.406 10 30 DGEERN C=C(C)COc1cccc(NS(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000460830568 433070050 /nfs/dbraw/zinc/07/00/50/433070050.db2.gz OZDPYGLBYZNMPI-CQSZACIVSA-N 0 0 324.446 3.030 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CCOCC1 ZINC000425252360 433136507 /nfs/dbraw/zinc/13/65/07/433136507.db2.gz ZGGKRFDHTFRXMX-UHFFFAOYSA-N 0 0 314.307 3.412 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1F ZINC000333867841 433117943 /nfs/dbraw/zinc/11/79/43/433117943.db2.gz OQERQUWGZZKYDU-INIZCTEOSA-N 0 0 313.376 3.171 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374514491 433207420 /nfs/dbraw/zinc/20/74/20/433207420.db2.gz PARQCJFWBQKQJM-DLBZAZTESA-N 0 0 302.418 3.372 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000374513459 433209119 /nfs/dbraw/zinc/20/91/19/433209119.db2.gz KOWJYQKNPNXSMO-JFIYKMOQSA-N 0 0 303.377 3.065 10 30 DGEERN C=CCc1cccc(C(C)C)c1NCc1nnc2n1CCOC2 ZINC000280751266 433158815 /nfs/dbraw/zinc/15/88/15/433158815.db2.gz MKWSMSKEORDFPZ-UHFFFAOYSA-N 0 0 312.417 3.272 10 30 DGEERN C=CCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000453417051 433173202 /nfs/dbraw/zinc/17/32/02/433173202.db2.gz XRDXZWRWLVOQNB-DAYGRLMNSA-N 0 0 316.449 3.332 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000453432254 433178713 /nfs/dbraw/zinc/17/87/13/433178713.db2.gz BDSDWDJUIKTQCR-HUUCEWRRSA-N 0 0 316.449 3.475 10 30 DGEERN C=CCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@@]1(C)CCCO1 ZINC000453436144 433182599 /nfs/dbraw/zinc/18/25/99/433182599.db2.gz HMLIYERGYVRWIA-MAUKXSAKSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C)CC1 ZINC000453432959 433182725 /nfs/dbraw/zinc/18/27/25/433182725.db2.gz CBHANMDUWFRTBE-LSDHHAIUSA-N 0 0 304.438 3.332 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H](COC)CC1 ZINC000453440410 433185479 /nfs/dbraw/zinc/18/54/79/433185479.db2.gz KZGPRLWJFAHWBO-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(N(C)C2CCCCC2)nnc1[C@@]1(C)CCCO1 ZINC000453447427 433191074 /nfs/dbraw/zinc/19/10/74/433191074.db2.gz XIPZPKSVFOMMJD-QGZVFWFLSA-N 0 0 304.438 3.259 10 30 DGEERN C=C(C)Cn1c(N2CCC(C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453459476 433196864 /nfs/dbraw/zinc/19/68/64/433196864.db2.gz CFYCGKNICCVFCL-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000280866360 433202882 /nfs/dbraw/zinc/20/28/82/433202882.db2.gz ZOPGHFMRDRMQJV-BMIGLBTASA-N 0 0 310.325 3.136 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000280866366 433203502 /nfs/dbraw/zinc/20/35/02/433203502.db2.gz ZOPGHFMRDRMQJV-BONVTDFDSA-N 0 0 310.325 3.136 10 30 DGEERN C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000337194553 433214160 /nfs/dbraw/zinc/21/41/60/433214160.db2.gz VKOQCXYDBBYYKN-IAGOWNOFSA-N 0 0 302.393 3.140 10 30 DGEERN C=CCc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc(OC)c1O ZINC000291317069 433232763 /nfs/dbraw/zinc/23/27/63/433232763.db2.gz SFQCSZFRXNQFAQ-MRXNPFEDSA-N 0 0 305.418 3.129 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000425448672 433249576 /nfs/dbraw/zinc/24/95/76/433249576.db2.gz RYPPQUWBEWPJGY-BZSNNMDCSA-N 0 0 316.445 3.288 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000374667580 433252966 /nfs/dbraw/zinc/25/29/66/433252966.db2.gz YAFLGYNYBVPCAR-OAHLLOKOSA-N 0 0 302.418 3.077 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000281140780 433265368 /nfs/dbraw/zinc/26/53/68/433265368.db2.gz VEJOXSQJMSHRBW-RRFJBIMHSA-N 0 0 301.386 3.032 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN(CC)[C@@H]1CCOC1 ZINC000361585376 433265926 /nfs/dbraw/zinc/26/59/26/433265926.db2.gz CPHUJNYEPVWJGT-CQSZACIVSA-N 0 0 320.458 3.014 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000425494511 433266920 /nfs/dbraw/zinc/26/69/20/433266920.db2.gz XPXSMPZHRNJSJJ-SRVKXCTJSA-N 0 0 322.371 3.244 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)C=C ZINC000453875118 433267936 /nfs/dbraw/zinc/26/79/36/433267936.db2.gz AGJBZUYOTFSQHK-UHFFFAOYSA-N 0 0 300.402 3.072 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000281231805 433275633 /nfs/dbraw/zinc/27/56/33/433275633.db2.gz CFKYBHVZXUUWKA-LLVKDONJSA-N 0 0 308.378 3.189 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338108845 433276851 /nfs/dbraw/zinc/27/68/51/433276851.db2.gz WCQFUMZXHVTYBA-UHFFFAOYSA-N 0 0 302.296 3.330 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338137918 433278953 /nfs/dbraw/zinc/27/89/53/433278953.db2.gz DFEDJYDJOYJZJD-MAUKXSAKSA-N 0 0 321.392 3.167 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000281428491 433296308 /nfs/dbraw/zinc/29/63/08/433296308.db2.gz NMTSDEFUWMTEJQ-KSSFIOAISA-N 0 0 323.383 3.385 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000425563286 433302014 /nfs/dbraw/zinc/30/20/14/433302014.db2.gz INXLDXVFZJQTPO-OWLYRPNTSA-N 0 0 314.429 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000425563940 433302783 /nfs/dbraw/zinc/30/27/83/433302783.db2.gz KIVZSHDASXEQBR-SPUZQDLCSA-N 0 0 314.429 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cccc(C)c1C ZINC000425568684 433304507 /nfs/dbraw/zinc/30/45/07/433304507.db2.gz WUFKXKMRZDOSKP-RDJZCZTQSA-N 0 0 302.418 3.036 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000281506838 433307442 /nfs/dbraw/zinc/30/74/42/433307442.db2.gz XDFRLOHYOSFTOZ-NVXWUHKLSA-N 0 0 318.417 3.133 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000425583760 433311997 /nfs/dbraw/zinc/31/19/97/433311997.db2.gz PBKRRQCJURQCFK-BZSNNMDCSA-N 0 0 314.429 3.433 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cc(Cl)ccc1OC ZINC000299298109 433359744 /nfs/dbraw/zinc/35/97/44/433359744.db2.gz NDDPBXOUKAPPEH-UHFFFAOYSA-N 0 0 321.726 3.468 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000291814084 433361658 /nfs/dbraw/zinc/36/16/58/433361658.db2.gz HYFOJSVWDIZVDT-HOCLYGCPSA-N 0 0 320.383 3.308 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(CC)[C@@H]2CCOC2)c1 ZINC000361760890 433378180 /nfs/dbraw/zinc/37/81/80/433378180.db2.gz TVLDIYCQTUYLAU-OAHLLOKOSA-N 0 0 304.390 3.284 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@@H](O)C2(C)C)c1 ZINC000361758693 433375665 /nfs/dbraw/zinc/37/56/65/433375665.db2.gz AVKLMPSNWIPBNJ-OAHLLOKOSA-N 0 0 304.390 3.019 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000447977836 433336926 /nfs/dbraw/zinc/33/69/26/433336926.db2.gz OUPCYIWZMDYREP-UHFFFAOYSA-N 0 0 316.323 3.479 10 30 DGEERN C=CCCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000447994561 433340299 /nfs/dbraw/zinc/34/02/99/433340299.db2.gz XBTBALRALSPSKN-CQSZACIVSA-N 0 0 307.825 3.184 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCC2)nc1 ZINC000413992358 433340724 /nfs/dbraw/zinc/34/07/24/433340724.db2.gz XRAIZTLHAGIKNO-GOSISDBHSA-N 0 0 321.424 3.209 10 30 DGEERN C=CCCCNC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000448250685 433378636 /nfs/dbraw/zinc/37/86/36/433378636.db2.gz XJOGWTUFFCBKOX-MRXNPFEDSA-N 0 0 301.434 3.263 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000448373265 433403895 /nfs/dbraw/zinc/40/38/95/433403895.db2.gz GRFTXMYGKGZZBU-UHFFFAOYSA-N 0 0 322.836 3.486 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H]2CCO[C@@H](CC)C2)c1 ZINC000421079269 433423757 /nfs/dbraw/zinc/42/37/57/433423757.db2.gz JIZCJJWQYPLVEW-GJZGRUSLSA-N 0 0 304.390 3.331 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(Cl)cc1 ZINC000448625224 433460829 /nfs/dbraw/zinc/46/08/29/433460829.db2.gz LSKNAGMFMUXZJK-AWEZNQCLSA-N 0 0 301.777 3.431 10 30 DGEERN CCN(Cc1ccccc1Cl)C(=O)c1ccc(C#N)n1C ZINC000448662879 433480802 /nfs/dbraw/zinc/48/08/02/433480802.db2.gz BXEPWRLFPBABKV-UHFFFAOYSA-N 0 0 301.777 3.212 10 30 DGEERN COC1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301332104 433511211 /nfs/dbraw/zinc/51/12/11/433511211.db2.gz FCAHAFIOYRKLIO-UHFFFAOYSA-N 0 0 301.777 3.375 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000448733754 433518245 /nfs/dbraw/zinc/51/82/45/433518245.db2.gz FXAXITZLCOXYHX-MRXNPFEDSA-N 0 0 307.397 3.134 10 30 DGEERN N#Cc1cc(NCCNC(=O)c2cccs2)c2ccccc2n1 ZINC000301380209 433531483 /nfs/dbraw/zinc/53/14/83/433531483.db2.gz UBWSAWMUZVQSHG-UHFFFAOYSA-N 0 0 322.393 3.010 10 30 DGEERN C#CC[C@H](NC(=O)Nc1cn(C)nc1C1CC1)c1ccccc1 ZINC000292170570 433489844 /nfs/dbraw/zinc/48/98/44/433489844.db2.gz YPHWVHKRUMPBQY-HNNXBMFYSA-N 0 0 308.385 3.184 10 30 DGEERN CS(=O)(=O)c1ccccc1Sc1cccc(F)c1C#N ZINC000301301950 433499169 /nfs/dbraw/zinc/49/91/69/433499169.db2.gz VQEIQAKUGHWGRC-UHFFFAOYSA-N 0 0 307.371 3.252 10 30 DGEERN C=CCN(CCC#N)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000292218141 433509928 /nfs/dbraw/zinc/50/99/28/433509928.db2.gz OXHZIPYBNGJMPB-UHFFFAOYSA-N 0 0 303.431 3.362 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000448786246 433549026 /nfs/dbraw/zinc/54/90/26/433549026.db2.gz GXERTULGBJHZKV-UHFFFAOYSA-N 0 0 313.788 3.359 10 30 DGEERN CC1(C)C[C@@]1(C#N)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000362173065 433563372 /nfs/dbraw/zinc/56/33/72/433563372.db2.gz JSHPRQNRLMKIAN-HNNXBMFYSA-N 0 0 310.319 3.446 10 30 DGEERN COc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)n2C)cc1 ZINC000448819867 433566018 /nfs/dbraw/zinc/56/60/18/433566018.db2.gz CVXLSQRVLCDBQR-UHFFFAOYSA-N 0 0 311.385 3.208 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000292512694 433575660 /nfs/dbraw/zinc/57/56/60/433575660.db2.gz GZJTZDODAOHPPR-LLVKDONJSA-N 0 0 315.339 3.297 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000448845472 433580206 /nfs/dbraw/zinc/58/02/06/433580206.db2.gz QBULLHLNTYDEPA-UHFFFAOYSA-N 0 0 319.368 3.293 10 30 DGEERN Cc1nccn1Cc1cccc(CNc2cccc(C#N)n2)c1 ZINC000301520106 433591201 /nfs/dbraw/zinc/59/12/01/433591201.db2.gz KYNWQUIUZSTSDG-UHFFFAOYSA-N 0 0 303.369 3.119 10 30 DGEERN C=C(C)COc1cc(CN2CC[C@@]23CCOC3)ccc1OC ZINC000421400109 433546667 /nfs/dbraw/zinc/54/66/67/433546667.db2.gz RJFMSEGBXUQRRA-SFHVURJKSA-N 0 0 303.402 3.015 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2CC)cc1 ZINC000448783997 433547033 /nfs/dbraw/zinc/54/70/33/433547033.db2.gz RRPFIOSVPJFFGL-RHSMWYFYSA-N 0 0 312.413 3.485 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C1CCOCC1 ZINC000162961890 292861963 /nfs/dbraw/zinc/86/19/63/292861963.db2.gz DZIPKEBRPXFEMX-HNNXBMFYSA-N 0 0 314.429 3.360 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)C[C@H](C)C#N ZINC000282996648 433645241 /nfs/dbraw/zinc/64/52/41/433645241.db2.gz QUIBPOCQROAKHC-GFCCVEGCSA-N 0 0 313.405 3.327 10 30 DGEERN CCN(CC)c1ccc(NCc2cnc3ccc(C#N)cn23)cn1 ZINC000163395850 292866904 /nfs/dbraw/zinc/86/69/04/292866904.db2.gz CAXQLJBNZYAATP-UHFFFAOYSA-N 0 0 320.400 3.059 10 30 DGEERN C=CCN1CC(=O)N([C@H]2C[C@H](c3cccc(Cl)c3)C2)C1=O ZINC000376038495 433650946 /nfs/dbraw/zinc/65/09/46/433650946.db2.gz JOFGUMAMISYKDH-MQMHXKEQSA-N 0 0 304.777 3.036 10 30 DGEERN Cc1ccnc(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000368294881 293112831 /nfs/dbraw/zinc/11/28/31/293112831.db2.gz WXMNDYSZUMDVTQ-UHFFFAOYSA-N 0 0 321.384 3.068 10 30 DGEERN CC#CCNC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000376255068 433702064 /nfs/dbraw/zinc/70/20/64/433702064.db2.gz NSHNEHXFNHODGS-MRXNPFEDSA-N 0 0 306.356 3.281 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000376267137 433703680 /nfs/dbraw/zinc/70/36/80/433703680.db2.gz RNYGUXWPYPTVDX-DOTOQJQBSA-N 0 0 301.434 3.400 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000330099229 293388998 /nfs/dbraw/zinc/38/89/98/293388998.db2.gz CTRYDMYWDFKSSF-YRGRVCCFSA-N 0 0 304.419 3.195 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@@H](CC)O1 ZINC000362496596 433731981 /nfs/dbraw/zinc/73/19/81/433731981.db2.gz HGJUGIKQEGVJKL-HZPDHXFCSA-N 0 0 318.373 3.067 10 30 DGEERN C=CCC[C@H](NC(=O)C(C)(C)c1cccs1)C(=O)OCC ZINC000456637559 433757170 /nfs/dbraw/zinc/75/71/70/433757170.db2.gz ZJCFIOPYARWZAB-LBPRGKRZSA-N 0 0 309.431 3.040 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000362694572 433825600 /nfs/dbraw/zinc/82/56/00/433825600.db2.gz LFSGZAJYEDPDCA-XCBNKYQSSA-N 0 0 301.173 3.301 10 30 DGEERN C=CCO[C@@H]1CCN(c2nc3ccccc3nc2N2CCCC2)C1 ZINC000302089582 433814290 /nfs/dbraw/zinc/81/42/90/433814290.db2.gz AQTIESSRMFTRJW-OAHLLOKOSA-N 0 0 324.428 3.011 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421972463 433827778 /nfs/dbraw/zinc/82/77/78/433827778.db2.gz BULIJDXSWPLYOK-QLFBSQMISA-N 0 0 309.450 3.415 10 30 DGEERN C=C1CCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 ZINC000433014977 433835680 /nfs/dbraw/zinc/83/56/80/433835680.db2.gz HXTOLZMEFYRUCD-UHFFFAOYSA-N 0 0 323.458 3.468 10 30 DGEERN C=CCOc1ccccc1CNC(=O)CCCc1ncc(C)o1 ZINC000449851664 433835973 /nfs/dbraw/zinc/83/59/73/433835973.db2.gz BSCVBCGGPVPFLW-UHFFFAOYSA-N 0 0 314.385 3.187 10 30 DGEERN CCC[C@]1(COC)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000302835210 433877660 /nfs/dbraw/zinc/87/76/60/433877660.db2.gz UWQIILUXDUDEMI-MRXNPFEDSA-N 0 0 303.362 3.252 10 30 DGEERN C#CCSCCNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000284126676 433841526 /nfs/dbraw/zinc/84/15/26/433841526.db2.gz VHMMBYXXWMXUEG-CQSZACIVSA-N 0 0 317.454 3.111 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000362744776 433843350 /nfs/dbraw/zinc/84/33/50/433843350.db2.gz KWDYXNLIVMSHMY-CHWSQXEVSA-N 0 0 305.340 3.159 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000377063718 433846348 /nfs/dbraw/zinc/84/63/48/433846348.db2.gz YQYSOTVGMDWKEW-AWEZNQCLSA-N 0 0 316.426 3.305 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000377305154 433854494 /nfs/dbraw/zinc/85/44/94/433854494.db2.gz LBUQXZVYPZKNCA-AWEZNQCLSA-N 0 0 317.429 3.233 10 30 DGEERN C=CCCCN(C)C(=O)Cc1ccc(OC)c(OC)c1Cl ZINC000449904836 433863189 /nfs/dbraw/zinc/86/31/89/433863189.db2.gz XSLQYLPTYQSJRK-UHFFFAOYSA-N 0 0 311.809 3.324 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000449976603 433903367 /nfs/dbraw/zinc/90/33/67/433903367.db2.gz CKWVMBBRUTYECU-UHFFFAOYSA-N 0 0 313.332 3.077 10 30 DGEERN N#Cc1c(Br)cccc1NCC[C@H](O)C(F)(F)F ZINC000357265158 433931578 /nfs/dbraw/zinc/93/15/78/433931578.db2.gz RRESPRHBPYWUQT-JTQLQIEISA-N 0 0 323.112 3.046 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCC([C@H](C)O)CC1 ZINC000362963370 433933347 /nfs/dbraw/zinc/93/33/47/433933347.db2.gz LNMHNGLVEQUGHC-ZDUSSCGKSA-N 0 0 305.443 3.198 10 30 DGEERN Cc1ccccc1C[C@@H](CO)CNc1c(C#N)cccc1C#N ZINC000302842760 433882860 /nfs/dbraw/zinc/88/28/60/433882860.db2.gz MSUQYENGEKZKQX-OAHLLOKOSA-N 0 0 305.381 3.001 10 30 DGEERN C=CC[C@@H]1N(C(=O)CO[C@@H](C)c2nccn2C)CCCC1(C)C ZINC000357347427 433964028 /nfs/dbraw/zinc/96/40/28/433964028.db2.gz ODZAONQBTGNAOJ-GJZGRUSLSA-N 0 0 319.449 3.091 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC000415612314 433985519 /nfs/dbraw/zinc/98/55/19/433985519.db2.gz KOCXXEUOPPNDRV-NWDGAFQWSA-N 0 0 305.340 3.207 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(COC)cc1 ZINC000285649232 434026940 /nfs/dbraw/zinc/02/69/40/434026940.db2.gz DPSIOSDAOTYTNP-IBGZPJMESA-N 0 0 307.393 3.197 10 30 DGEERN Cc1cc([C@H](NC(=O)c2ccc(C#N)n2C)C2CC2)ccc1F ZINC000450276062 434073153 /nfs/dbraw/zinc/07/31/53/434073153.db2.gz HGBKENUUDQIXMJ-QGZVFWFLSA-N 0 0 311.360 3.225 10 30 DGEERN C=CC[C@@H](CC)N1C(=O)[C@H](Cc2ccccc2)N(C2CC2)C1=O ZINC000285835985 434082453 /nfs/dbraw/zinc/08/24/53/434082453.db2.gz BKMIGNHWFFWMKU-WBVHZDCISA-N 0 0 312.413 3.379 10 30 DGEERN C=CCN(CC=C)C(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000285763717 434057230 /nfs/dbraw/zinc/05/72/30/434057230.db2.gz BLYQEZFABXFLLU-TZMCWYRMSA-N 0 0 316.376 3.234 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cn(CCCC)nc1C ZINC000285968845 434124992 /nfs/dbraw/zinc/12/49/92/434124992.db2.gz WIVZIVNVSXQLQJ-GOSISDBHSA-N 0 0 323.440 3.356 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cc(F)c(C)cc1F ZINC000294668733 434125657 /nfs/dbraw/zinc/12/56/57/434125657.db2.gz IVWFMIGYMNKWDL-UHFFFAOYSA-N 0 0 307.262 3.393 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2C1 ZINC000285981037 434129260 /nfs/dbraw/zinc/12/92/60/434129260.db2.gz XCRCIFQFEYHENM-FQEVSTJZSA-N 0 0 303.405 3.152 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)OCCc1ccccc1 ZINC000294752245 434132297 /nfs/dbraw/zinc/13/22/97/434132297.db2.gz PFQISWCUKHOFJS-ZDUSSCGKSA-N 0 0 315.335 3.211 10 30 DGEERN C[C@](O)(CNc1cccc(C#N)c1[N+](=O)[O-])C1CCCCC1 ZINC000450478295 434211260 /nfs/dbraw/zinc/21/12/60/434211260.db2.gz FIZUKOWNXYWGGK-INIZCTEOSA-N 0 0 303.362 3.210 10 30 DGEERN C[C@@](O)(CNc1cccc(C#N)c1[N+](=O)[O-])C1CCCCC1 ZINC000450478296 434213064 /nfs/dbraw/zinc/21/30/64/434213064.db2.gz FIZUKOWNXYWGGK-MRXNPFEDSA-N 0 0 303.362 3.210 10 30 DGEERN CC#CCCCC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000364286609 434265846 /nfs/dbraw/zinc/26/58/46/434265846.db2.gz CYAVEKFEFGIBBY-UHFFFAOYSA-N 0 0 305.447 3.048 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000437471730 434269513 /nfs/dbraw/zinc/26/95/13/434269513.db2.gz WXTWUXZNROAHBJ-HBJANEJGSA-N 0 0 303.377 3.326 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000364375190 434270428 /nfs/dbraw/zinc/27/04/28/434270428.db2.gz OMDRIYKDARFWJJ-DLBZAZTESA-N 0 0 316.420 3.434 10 30 DGEERN COC(=O)c1cc(C)cc(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000457537255 434223970 /nfs/dbraw/zinc/22/39/70/434223970.db2.gz DWFGGHWAERWSFM-UHFFFAOYSA-N 0 0 316.401 3.184 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCCCC[C@H]1c1noc(C)n1)OCC ZINC000364112301 434235565 /nfs/dbraw/zinc/23/55/65/434235565.db2.gz WGQYBOBUHWOLKC-GJZGRUSLSA-N 0 0 321.421 3.193 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1COC ZINC000286625795 434281571 /nfs/dbraw/zinc/28/15/71/434281571.db2.gz CNLSGWWWVLPNEL-GOSISDBHSA-N 0 0 307.393 3.197 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC000437528056 434281794 /nfs/dbraw/zinc/28/17/94/434281794.db2.gz UBXPBEOCBQDHFE-CXAGYDPISA-N 0 0 307.821 3.288 10 30 DGEERN C=CCOc1ccccc1CNc1nnc(CC2CCCC2)o1 ZINC000347898359 434282379 /nfs/dbraw/zinc/28/23/79/434282379.db2.gz PJXCCCZWKOBVTH-UHFFFAOYSA-N 0 0 313.401 3.979 10 30 DGEERN Cc1ccsc1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328626465 434290606 /nfs/dbraw/zinc/29/06/06/434290606.db2.gz LSIKUDUUHNVIFA-IUODEOHRSA-N 0 0 319.430 3.067 10 30 DGEERN CC(C)NC(=O)CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328625595 434291740 /nfs/dbraw/zinc/29/17/40/434291740.db2.gz DHSRNDZCKBAOLW-HNNXBMFYSA-N 0 0 304.438 3.180 10 30 DGEERN Cc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1 ZINC000328644980 434293333 /nfs/dbraw/zinc/29/33/33/434293333.db2.gz ZNUKYELQQDVJSG-NVXWUHKLSA-N 0 0 311.385 3.494 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H](C)CC1)CCC2 ZINC000328657434 434295199 /nfs/dbraw/zinc/29/51/99/434295199.db2.gz OZPBFRHKGYGYTF-HIFRSBDPSA-N 0 0 304.438 3.105 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1C1CCC1)CCC2 ZINC000328656607 434295723 /nfs/dbraw/zinc/29/57/23/434295723.db2.gz OAPIGAJGYANZGM-JKSUJKDBSA-N 0 0 316.449 3.247 10 30 DGEERN C[C@@H]1C[C@H](C)CCN(C(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000328651664 434297070 /nfs/dbraw/zinc/29/70/70/434297070.db2.gz BPTMOZLXYIYASJ-KFWWJZLASA-N 0 0 304.438 3.043 10 30 DGEERN CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000328657569 434298417 /nfs/dbraw/zinc/29/84/17/434298417.db2.gz PHNDQZGNBJPTAZ-HZPDHXFCSA-N 0 0 318.465 3.495 10 30 DGEERN C=CCCCCCCNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000287031958 434300875 /nfs/dbraw/zinc/30/08/75/434300875.db2.gz NIYUZLLVZQTGIN-UHFFFAOYSA-N 0 0 317.389 3.276 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1cccs1)CCC2 ZINC000328702072 434301150 /nfs/dbraw/zinc/30/11/50/434301150.db2.gz JMJHMRYUJAHXDK-OLZOCXBDSA-N 0 0 318.446 3.395 10 30 DGEERN C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](n2cccn2)C1 ZINC000328708413 434302071 /nfs/dbraw/zinc/30/20/71/434302071.db2.gz QIYXKMDFIQHEED-CJNGLKHVSA-N 0 0 316.380 3.336 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(SC)cc1 ZINC000437635890 434308645 /nfs/dbraw/zinc/30/86/45/434308645.db2.gz QSWBCNJGNOXNPL-GDBMZVCRSA-N 0 0 320.458 3.189 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000328791061 434312558 /nfs/dbraw/zinc/31/25/58/434312558.db2.gz QQIUAOHWTIAVEN-QVHKTLOISA-N 0 0 304.438 3.327 10 30 DGEERN C=CCOc1ccc(CNc2ccc(CCO)cc2OC)cc1 ZINC000348421245 434314947 /nfs/dbraw/zinc/31/49/47/434314947.db2.gz MIIBXOWQHLGCMZ-UHFFFAOYSA-N 0 0 313.397 3.407 10 30 DGEERN CC[C@H](NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)[C@H]1CCCO1 ZINC000328950098 434331847 /nfs/dbraw/zinc/33/18/47/434331847.db2.gz HLVRQPCZXKEKRQ-LVQVYYBASA-N 0 0 317.433 3.068 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000328940273 434332126 /nfs/dbraw/zinc/33/21/26/434332126.db2.gz SJUPLLUBEVKQBB-MRVWCRGKSA-N 0 0 316.405 3.200 10 30 DGEERN O=C(NC[C@H]1CCCn2ccnc21)N1CCCc2ccccc2C1 ZINC000329010961 434343044 /nfs/dbraw/zinc/34/30/44/434343044.db2.gz DMUWKKMRBNGAOO-MRXNPFEDSA-N 0 0 324.428 3.123 10 30 DGEERN Cc1noc(C)c1C(C)(C)NC(=O)c1cn2ccnc2s1 ZINC000329308716 434391145 /nfs/dbraw/zinc/39/11/45/434391145.db2.gz YXWCYJQJCBYECY-UHFFFAOYSA-N 0 0 304.375 3.241 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(C)CCC(C)CC1 ZINC000437844579 434351975 /nfs/dbraw/zinc/35/19/75/434351975.db2.gz VCAKZYOLPBSUQL-BNQMIIOLSA-N 0 0 308.466 3.483 10 30 DGEERN C#CCCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287404054 434352000 /nfs/dbraw/zinc/35/20/00/434352000.db2.gz OEMCNSIBUJGFJN-LLVKDONJSA-N 0 0 301.312 3.115 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000438067947 434396066 /nfs/dbraw/zinc/39/60/66/434396066.db2.gz QYLBXKQCTWEUFD-ZBFHGGJFSA-N 0 0 322.836 3.463 10 30 DGEERN C[C@@H](NCc1nncn1-c1ccccc1)c1ccc(C#N)cc1F ZINC000358576605 434398532 /nfs/dbraw/zinc/39/85/32/434398532.db2.gz UMZIBZCFCZDUKW-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000457944158 434410761 /nfs/dbraw/zinc/41/07/61/434410761.db2.gz KRCMVIRLWPXFPP-KGLIPLIRSA-N 0 0 310.463 3.462 10 30 DGEERN O=C(Nc1csc(-c2ccccn2)n1)N1C[C@@H]2CCC[C@H]21 ZINC000329455096 434411283 /nfs/dbraw/zinc/41/12/83/434411283.db2.gz PQUFYZYCWXINSN-CMPLNLGQSA-N 0 0 300.387 3.235 10 30 DGEERN C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)c1cccnc1 ZINC000329458011 434412936 /nfs/dbraw/zinc/41/29/36/434412936.db2.gz QUEWLERBWJGTPG-YOEHRIQHSA-N 0 0 317.433 3.338 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000457976190 434421978 /nfs/dbraw/zinc/42/19/78/434421978.db2.gz VUUXROQAGMVLEL-FGTMMUONSA-N 0 0 316.445 3.339 10 30 DGEERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1cccc3c[nH]nc31)CC2 ZINC000329511969 434424620 /nfs/dbraw/zinc/42/46/20/434424620.db2.gz KVAHYDTXEADNEL-AWEZNQCLSA-N 0 0 323.400 3.202 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000450848501 434441809 /nfs/dbraw/zinc/44/18/09/434441809.db2.gz UOPBILLOIOJQRJ-MBNYWOFBSA-N 0 0 311.784 3.026 10 30 DGEERN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000329701663 434460209 /nfs/dbraw/zinc/46/02/09/434460209.db2.gz HOOWNUANYDGCMZ-WBVHZDCISA-N 0 0 302.422 3.008 10 30 DGEERN C=CCc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc(OC)c1O ZINC000438362149 434470690 /nfs/dbraw/zinc/47/06/90/434470690.db2.gz WTPGECSCODSJGN-BFHYXJOUSA-N 0 0 305.418 3.127 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(Br)ccc1F ZINC000417623873 434473698 /nfs/dbraw/zinc/47/36/98/434473698.db2.gz JOSXFGCOUWBBDN-NSHDSACASA-N 0 0 316.170 3.097 10 30 DGEERN C=CCC[C@H](CO)Nc1nc(C)cc(OCc2ccccc2)n1 ZINC000450910305 434476865 /nfs/dbraw/zinc/47/68/65/434476865.db2.gz IXSLYKUKIBGWIY-MRXNPFEDSA-N 0 0 313.401 3.103 10 30 DGEERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000329776802 434479946 /nfs/dbraw/zinc/47/99/46/434479946.db2.gz OMFWFCQRIRQEEN-DZKIICNBSA-N 0 0 315.417 3.206 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)cc1 ZINC000438501178 434496234 /nfs/dbraw/zinc/49/62/34/434496234.db2.gz LMOMLHKTIFHWGZ-IBGZPJMESA-N 0 0 317.429 3.313 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000417692475 434503081 /nfs/dbraw/zinc/50/30/81/434503081.db2.gz AHCHBWCXDVGRMM-CABCVRRESA-N 0 0 308.466 3.084 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000450954718 434503980 /nfs/dbraw/zinc/50/39/80/434503980.db2.gz CDLIMYCCKMFSER-UHFFFAOYSA-N 0 0 319.767 3.354 10 30 DGEERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000407960259 434532753 /nfs/dbraw/zinc/53/27/53/434532753.db2.gz ZFTIEWRUGWSCOU-QLFBSQMISA-N 0 0 322.412 3.251 10 30 DGEERN CC1CCC(OC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC1 ZINC000407968984 434533431 /nfs/dbraw/zinc/53/34/31/434533431.db2.gz VQKMGWCISSPRAL-UHFFFAOYSA-N 0 0 315.417 3.086 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000367094847 434537760 /nfs/dbraw/zinc/53/77/60/434537760.db2.gz RULCONYCSKYENZ-XLMAVXFVSA-N 0 0 306.450 3.189 10 30 DGEERN C=CCC[C@H](NC(=O)N1CCNC[C@@](C)(F)C1)c1ccccc1 ZINC000417907789 434545950 /nfs/dbraw/zinc/54/59/50/434545950.db2.gz FLVVXQJRGQHFNY-FUHWJXTLSA-N 0 0 319.424 3.037 10 30 DGEERN Cc1cccc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1C#N ZINC000408171630 434547429 /nfs/dbraw/zinc/54/74/29/434547429.db2.gz LSDXCRYLFPBWIB-SUMWQHHRSA-N 0 0 318.442 3.068 10 30 DGEERN CCN(C(=O)c1ccc(C#N)n1C)[C@H](C)Cc1ccsc1 ZINC000451067805 434551436 /nfs/dbraw/zinc/55/14/36/434551436.db2.gz AGHVDZHZROZLJD-GFCCVEGCSA-N 0 0 301.415 3.052 10 30 DGEERN C#CCCCS(=O)(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000367754354 434557704 /nfs/dbraw/zinc/55/77/04/434557704.db2.gz VLTOOJFXTBEWQN-QGZVFWFLSA-N 0 0 305.443 3.184 10 30 DGEERN C#C[C@H](C)NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367840466 434558708 /nfs/dbraw/zinc/55/87/08/434558708.db2.gz BATBKJVKGGICCU-BLLLJJGKSA-N 0 0 306.356 3.280 10 30 DGEERN Cn1ccnc1-c1cccc(NC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000368079880 434566652 /nfs/dbraw/zinc/56/66/52/434566652.db2.gz WOKCPQHHDCFHOQ-UHFFFAOYSA-N 0 0 323.400 3.245 10 30 DGEERN C=CCOCCNC(=O)c1ccc(-c2ccsc2)nc1C ZINC000367931252 434562064 /nfs/dbraw/zinc/56/20/64/434562064.db2.gz NFQAQTLBJJMHEH-UHFFFAOYSA-N 0 0 302.399 3.051 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CCCCC[C@H]1c1noc(C)n1 ZINC000368249335 434570330 /nfs/dbraw/zinc/57/03/30/434570330.db2.gz JUOPUYDQNGEOLX-KRWDZBQOSA-N 0 0 323.396 3.046 10 30 DGEERN CC[C@H](C)n1ncc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1C ZINC000408400664 434572391 /nfs/dbraw/zinc/57/23/91/434572391.db2.gz VYLWQMLKPURSCQ-SWLSCSKDSA-N 0 0 302.422 3.317 10 30 DGEERN N#Cc1cccc2c1CCN2C(=O)c1cc2c(cc1O)CCCC2 ZINC000408464266 434579942 /nfs/dbraw/zinc/57/99/42/434579942.db2.gz DSJFFRAGURQSTH-UHFFFAOYSA-N 0 0 318.376 3.346 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCc1nc(C)c(Br)s1 ZINC000452393972 434593068 /nfs/dbraw/zinc/59/30/68/434593068.db2.gz CJCFLGCCEHCLPK-GFCCVEGCSA-N 0 0 317.252 3.433 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000452402255 434594887 /nfs/dbraw/zinc/59/48/87/434594887.db2.gz ZOMZIBQGIMYHIB-NVXWUHKLSA-N 0 0 307.397 3.210 10 30 DGEERN N#Cc1ccc(C(=O)N2CCCc3c(OC(F)F)cccc32)o1 ZINC000360499125 434623665 /nfs/dbraw/zinc/62/36/65/434623665.db2.gz JSWCVJUTTISEQG-UHFFFAOYSA-N 0 0 318.279 3.346 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC000424117341 434628481 /nfs/dbraw/zinc/62/84/81/434628481.db2.gz BJPUMNKTLHJDIY-IHRRRGAJSA-N 0 0 322.478 3.036 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccco1 ZINC000424125143 434629879 /nfs/dbraw/zinc/62/98/79/434629879.db2.gz NKVGWIMMSOVJAE-ZDUSSCGKSA-N 0 0 304.419 3.262 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC(c2ccccn2)CC1)OCC ZINC000371057603 434637728 /nfs/dbraw/zinc/63/77/28/434637728.db2.gz XMEHOXOIYZEHHE-KRWDZBQOSA-N 0 0 302.418 3.159 10 30 DGEERN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452535186 434638948 /nfs/dbraw/zinc/63/89/48/434638948.db2.gz WQPJHLYYDIAUNV-LBTNJELSSA-N 0 0 322.449 3.191 10 30 DGEERN CC(C)=CCC[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452538081 434639918 /nfs/dbraw/zinc/63/99/18/434639918.db2.gz BNOIDXLKVCGPDS-KDOFPFPSSA-N 0 0 322.449 3.499 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000439410763 434600758 /nfs/dbraw/zinc/60/07/58/434600758.db2.gz PBELEGGKCUWHLY-NSHDSACASA-N 0 0 303.337 3.957 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1C(C)C ZINC000452564186 434647851 /nfs/dbraw/zinc/64/78/51/434647851.db2.gz YXJQQVDGWQKZDV-KBPBESRZSA-N 0 0 315.417 3.461 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000410641079 434661255 /nfs/dbraw/zinc/66/12/55/434661255.db2.gz KSDNSUIJTMRMTR-MSOLQXFVSA-N 0 0 308.381 3.206 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439975309 434666267 /nfs/dbraw/zinc/66/62/67/434666267.db2.gz ZYSJRYMKZACOMS-CYBMUJFWSA-N 0 0 301.390 3.290 10 30 DGEERN C=C(C)CCN1C(=O)C[C@H](c2cccc(Br)c2)C1=O ZINC000419128412 434745360 /nfs/dbraw/zinc/74/53/60/434745360.db2.gz WCHFHMXQAWQVHS-CYBMUJFWSA-N 0 0 322.202 3.258 10 30 DGEERN C=CCC1(C(=O)NCCc2cccc3cccnc32)CCOCC1 ZINC000424572200 434745740 /nfs/dbraw/zinc/74/57/40/434745740.db2.gz VBOZPDLHDPTAES-UHFFFAOYSA-N 0 0 324.424 3.266 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000452892335 434750569 /nfs/dbraw/zinc/75/05/69/434750569.db2.gz OVLKJNZNGVGKNW-CRAIPNDOSA-N 0 0 317.429 3.432 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nn1 ZINC000424589183 434751977 /nfs/dbraw/zinc/75/19/77/434751977.db2.gz WTTWILNIQQRTHF-RBSFLKMASA-N 0 0 304.438 3.045 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC000424596657 434753071 /nfs/dbraw/zinc/75/30/71/434753071.db2.gz PDBJSSGUPGOWQR-ZIAGYGMSSA-N 0 0 304.365 3.069 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000452784149 434713748 /nfs/dbraw/zinc/71/37/48/434713748.db2.gz NOEUBXKVTWBIDN-UHFFFAOYSA-N 0 0 322.206 3.267 10 30 DGEERN C=CC(C)(C)CNC(=O)Cc1cscc1Br ZINC000452784883 434714132 /nfs/dbraw/zinc/71/41/32/434714132.db2.gz QPVDHZZDUMATQQ-UHFFFAOYSA-N 0 0 302.237 3.382 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000452781179 434714650 /nfs/dbraw/zinc/71/46/50/434714650.db2.gz ZPEMFNYEWGQWOU-WFASDCNBSA-N 0 0 300.402 3.223 10 30 DGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(C)(C)C1CCC1 ZINC000452788300 434715981 /nfs/dbraw/zinc/71/59/81/434715981.db2.gz YXAMQHWTPDZKRL-GOSISDBHSA-N 0 0 322.449 3.191 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCOCC[C@H]2C)c1 ZINC000371547326 434730321 /nfs/dbraw/zinc/73/03/21/434730321.db2.gz SLZMLHNKPSDXAH-CQSZACIVSA-N 0 0 304.390 3.284 10 30 DGEERN C=CCC1(C(=O)N[C@H]2COc3c2ccc(C)c3C)CCOCC1 ZINC000424654085 434769240 /nfs/dbraw/zinc/76/92/40/434769240.db2.gz YKOQCYXZSRBWLE-INIZCTEOSA-N 0 0 315.413 3.226 10 30 DGEERN C=CCC1(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CCOCC1 ZINC000424653561 434769736 /nfs/dbraw/zinc/76/97/36/434769736.db2.gz YCWWYEYNCLNTTQ-UHFFFAOYSA-N 0 0 317.414 3.450 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000424601443 434755777 /nfs/dbraw/zinc/75/57/77/434755777.db2.gz PRJGLDAEMLGPBM-IRXDYDNUSA-N 0 0 324.428 3.310 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)COc2cccc(C)c2)CCOCC1 ZINC000424607272 434757596 /nfs/dbraw/zinc/75/75/96/434757596.db2.gz KNDDKQRSBQVNLT-MRXNPFEDSA-N 0 0 317.429 3.251 10 30 DGEERN C=C(C)C(C)(C)C(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000424623306 434760788 /nfs/dbraw/zinc/76/07/88/434760788.db2.gz ZFJKISHLBCKNMZ-INIZCTEOSA-N 0 0 317.429 3.127 10 30 DGEERN C=CCC1(C(=O)Nc2cnn(-c3ccccc3)c2)CCOCC1 ZINC000424623699 434760889 /nfs/dbraw/zinc/76/08/89/434760889.db2.gz PWHSCFIFOZLIIZ-UHFFFAOYSA-N 0 0 311.385 3.184 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCOCC1 ZINC000424622035 434761941 /nfs/dbraw/zinc/76/19/41/434761941.db2.gz XLYWGPMERBWSLW-JKSUJKDBSA-N 0 0 303.377 3.171 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)COc2cccc(F)c2)CCOCC1 ZINC000424711729 434783739 /nfs/dbraw/zinc/78/37/39/434783739.db2.gz CRRXAGHFVIGHMP-CQSZACIVSA-N 0 0 321.392 3.082 10 30 DGEERN C=CCC1(C(=O)Nc2nnc(CC(C)C)s2)CCOCC1 ZINC000424712869 434785876 /nfs/dbraw/zinc/78/58/76/434785876.db2.gz CXYMYTKYMZNQTB-UHFFFAOYSA-N 0 0 309.435 3.048 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)Oc2cccc(C)c2)CCOCC1 ZINC000424697198 434781017 /nfs/dbraw/zinc/78/10/17/434781017.db2.gz SNHQDRWDUMTIOA-INIZCTEOSA-N 0 0 317.429 3.251 10 30 DGEERN C=CCC1(C(=O)NCCCNc2cccc(F)c2)CCOCC1 ZINC000424774236 434800399 /nfs/dbraw/zinc/80/03/99/434800399.db2.gz HEVCFKBIYBDJKU-UHFFFAOYSA-N 0 0 320.408 3.117 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CCOCC1 ZINC000424790915 434802626 /nfs/dbraw/zinc/80/26/26/434802626.db2.gz PXJBHGLKJSMBDJ-DLBZAZTESA-N 0 0 323.477 3.459 10 30 DGEERN C=CCCCCNC(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000372141032 434803911 /nfs/dbraw/zinc/80/39/11/434803911.db2.gz VLZQTAMJNIPRED-UHFFFAOYSA-N 0 0 314.429 3.356 10 30 DGEERN C=CCC1(C(=O)N2CCOC3(C2)CCCCCC3)CCOCC1 ZINC000424741544 434793192 /nfs/dbraw/zinc/79/31/92/434793192.db2.gz SULCCXCGRZPKHS-UHFFFAOYSA-N 0 0 321.461 3.311 10 30 DGEERN CCC(C)(C)NC(=O)CNc1ccc(Br)c(C#N)c1 ZINC000453115121 434805951 /nfs/dbraw/zinc/80/59/51/434805951.db2.gz HEPQAZTWPMDNQD-UHFFFAOYSA-N 0 0 324.222 3.037 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000424825955 434810289 /nfs/dbraw/zinc/81/02/89/434810289.db2.gz PSWWWOJDNGUWLH-LJQANCHMSA-N 0 0 301.430 3.141 10 30 DGEERN CC[C@@H](C)Oc1cc(-c2noc(-c3ccc(C#N)n3C)n2)ccn1 ZINC000453130135 434811840 /nfs/dbraw/zinc/81/18/40/434811840.db2.gz FSAXJZHJPNQLEW-LLVKDONJSA-N 0 0 323.356 3.186 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000424831745 434813011 /nfs/dbraw/zinc/81/30/11/434813011.db2.gz IMFSXZRCDJNHRL-KBPBESRZSA-N 0 0 309.381 3.205 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000424847010 434815425 /nfs/dbraw/zinc/81/54/25/434815425.db2.gz MZYLEAIGTIKKQW-SECBINFHSA-N 0 0 312.211 3.019 10 30 DGEERN N#Cc1cnccc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000372235173 434816455 /nfs/dbraw/zinc/81/64/55/434816455.db2.gz DTDKKTUGGUAZFC-AWEZNQCLSA-N 0 0 309.344 3.192 10 30 DGEERN C=CCN(C(=O)c1coc(C)c1)c1nc(C(=O)OCC)cs1 ZINC000445624091 434818625 /nfs/dbraw/zinc/81/86/25/434818625.db2.gz ONWRIMUPRUAFIA-UHFFFAOYSA-N 0 0 320.370 3.054 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC000424899440 434827223 /nfs/dbraw/zinc/82/72/23/434827223.db2.gz CWLOFRIJQKLWDX-ZANVPECISA-N 0 0 300.185 3.314 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000424904680 434827946 /nfs/dbraw/zinc/82/79/46/434827946.db2.gz ABIBFEACPVWEBL-GWCFXTLKSA-N 0 0 317.282 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCC(C)C)cc1 ZINC000424918000 434828645 /nfs/dbraw/zinc/82/86/45/434828645.db2.gz UJAVUYNPCCZLTD-RDJZCZTQSA-N 0 0 303.402 3.042 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(OCCC)cc1 ZINC000424931068 434829765 /nfs/dbraw/zinc/82/97/65/434829765.db2.gz IPJVTRLNYUMOJB-WMZOPIPTSA-N 0 0 317.429 3.115 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000372573818 434840977 /nfs/dbraw/zinc/84/09/77/434840977.db2.gz SOMUCUVVUROSSJ-IBGZPJMESA-N 0 0 316.445 3.325 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)CCC1 ZINC000372777417 434853604 /nfs/dbraw/zinc/85/36/04/434853604.db2.gz VFANWDLDJDBXQB-HNNXBMFYSA-N 0 0 318.417 3.155 10 30 DGEERN C=CCN1CC[C@@H](Sc2cc(C)nn2-c2ccccc2)C1=O ZINC000573205249 434880943 /nfs/dbraw/zinc/88/09/43/434880943.db2.gz DXRPOCMNHNQSDU-OAHLLOKOSA-N 0 0 313.426 3.060 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC(C2CCOCC2)CC1 ZINC000553192546 434881784 /nfs/dbraw/zinc/88/17/84/434881784.db2.gz DKWDRGKDQKYVJJ-UHFFFAOYSA-N 0 0 323.477 3.415 10 30 DGEERN C=CCCCN(C)c1cc(C(C)(C)C)nc(C(=O)OCC)n1 ZINC000553434970 434890244 /nfs/dbraw/zinc/89/02/44/434890244.db2.gz ZFDYJFWYAGMIGR-UHFFFAOYSA-N 0 0 305.422 3.353 10 30 DGEERN Cc1cc(C#N)nc(N(C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000553483344 434892477 /nfs/dbraw/zinc/89/24/77/434892477.db2.gz QYRCTSVDKFTJAP-UHFFFAOYSA-N 0 0 322.290 3.192 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000521792178 434895337 /nfs/dbraw/zinc/89/53/37/434895337.db2.gz UHBUQKTZUUECRK-LBPRGKRZSA-N 0 0 301.308 3.339 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000573438165 434899626 /nfs/dbraw/zinc/89/96/26/434899626.db2.gz CMEAKXJYKKPFKB-ZBEGNZNMSA-N 0 0 318.804 3.071 10 30 DGEERN C=Cc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000462368043 434910056 /nfs/dbraw/zinc/91/00/56/434910056.db2.gz MYPFXNJPGJEGHO-HNNXBMFYSA-N 0 0 320.392 3.327 10 30 DGEERN C=CCCCCCNC(=O)NCc1cccc2c1OCCCO2 ZINC000573105426 434873684 /nfs/dbraw/zinc/87/36/84/434873684.db2.gz KFSLREJAWJQPMG-UHFFFAOYSA-N 0 0 318.417 3.394 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000554822962 434947529 /nfs/dbraw/zinc/94/75/29/434947529.db2.gz CWHQSOAYGLPPES-SFHVURJKSA-N 0 0 313.401 3.491 10 30 DGEERN C=CCSCCNC(=O)N1CCn2c(cc3ccccc32)C1 ZINC000463336825 434953419 /nfs/dbraw/zinc/95/34/19/434953419.db2.gz DYFVKWKWTAEERP-UHFFFAOYSA-N 0 0 315.442 3.086 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CC[C@H](O)C1(C)C)c1ccc(F)c(F)c1 ZINC000463408158 434957444 /nfs/dbraw/zinc/95/74/44/434957444.db2.gz CAKUPSRBEXVJOQ-GJZGRUSLSA-N 0 0 324.371 3.137 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)cc1C(F)F ZINC000575385234 435034082 /nfs/dbraw/zinc/03/40/82/435034082.db2.gz FBRRGNDYLCRSSF-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)c1cc(Br)c(C#N)cc1C(F)(F)F ZINC000575383898 435033889 /nfs/dbraw/zinc/03/38/89/435033889.db2.gz QSOXDIZJXBZISR-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN COC(=O)Cc1c(C(F)F)ccc(C#N)c1OC(F)(F)F ZINC000575387019 435033929 /nfs/dbraw/zinc/03/39/29/435033929.db2.gz DGMZWEMRESGXER-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(OC(F)F)c1C#N ZINC000575386824 435034164 /nfs/dbraw/zinc/03/41/64/435034164.db2.gz JHXDORXGEUSJPQ-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCOC(=O)Cc1c(Br)cc(C#N)cc1C(F)F ZINC000575341638 435029871 /nfs/dbraw/zinc/02/98/71/435029871.db2.gz YIGWFXJRKQSMSF-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528984527 435031114 /nfs/dbraw/zinc/03/11/14/435031114.db2.gz GDUAQFNZNJIOKP-GXTWGEPZSA-N 0 0 312.207 3.010 10 30 DGEERN COC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1C(F)F ZINC000575387952 435034295 /nfs/dbraw/zinc/03/42/95/435034295.db2.gz ZRTPRTMJGLWXNX-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000574513866 434982999 /nfs/dbraw/zinc/98/29/99/434982999.db2.gz LWTGMBUKJBDUII-RDJZCZTQSA-N 0 0 316.445 3.374 10 30 DGEERN CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC1(C#N)CC1 ZINC000555863015 434988784 /nfs/dbraw/zinc/98/87/84/434988784.db2.gz YXFDVCYJFYNUOR-HNNXBMFYSA-N 0 0 300.402 3.387 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000574650578 434993798 /nfs/dbraw/zinc/99/37/98/434993798.db2.gz DDZZEYFOUONJSG-UHFFFAOYSA-N 0 0 304.415 3.207 10 30 DGEERN CCOC(=O)Cc1cc(C(F)F)cc(OC(F)F)c1C#N ZINC000575385281 435034046 /nfs/dbraw/zinc/03/40/46/435034046.db2.gz IHQFZQQJHAQLHK-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)Cc1ccc(C(F)(F)F)c(Br)c1C#N ZINC000575383790 435033020 /nfs/dbraw/zinc/03/30/20/435033020.db2.gz KMOSRUOLBSDPQV-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(Cl)c1OC(F)(F)F ZINC000575383310 435033112 /nfs/dbraw/zinc/03/31/12/435033112.db2.gz OQVGQFGHIPJVCA-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C)(C)C1 ZINC000574825298 435003459 /nfs/dbraw/zinc/00/34/59/435003459.db2.gz AQELNPAHUJWRLX-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN CCOC(=O)c1c(C#N)c(Br)ccc1C(F)F ZINC000575382778 435033184 /nfs/dbraw/zinc/03/31/84/435033184.db2.gz YTBMFHPJAIKOSM-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN COC(=O)c1ccc(Br)c(C#N)c1OC(F)(F)F ZINC000575383374 435033283 /nfs/dbraw/zinc/03/32/83/435033283.db2.gz DDLXGJICWXSABX-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1OC(F)F ZINC000575387164 435034107 /nfs/dbraw/zinc/03/41/07/435034107.db2.gz XXGGMUXMEPNYFM-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ncc(-c3ccccc3)o2)c1 ZINC000530913404 435060114 /nfs/dbraw/zinc/06/01/14/435060114.db2.gz AQPFFLJGKVXHRR-UHFFFAOYSA-N 0 0 317.348 3.072 10 30 DGEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000531390913 435090550 /nfs/dbraw/zinc/09/05/50/435090550.db2.gz MABYLKOVPCGUBE-DNVCBOLYSA-N 0 0 320.392 3.089 10 30 DGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000451339238 297748066 /nfs/dbraw/zinc/74/80/66/297748066.db2.gz ZWHGELILCSQALZ-GYSYKLTISA-N 0 0 300.324 3.260 10 30 DGEERN CCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531146452 435074162 /nfs/dbraw/zinc/07/41/62/435074162.db2.gz NKDZSTTWTPGMNL-UHFFFAOYSA-N 0 0 321.380 3.396 10 30 DGEERN COc1ccc2cc(NC(=O)Cc3cccc(C#N)c3)ccc2n1 ZINC000531157378 435076062 /nfs/dbraw/zinc/07/60/62/435076062.db2.gz WXGBJNKFEZIAEB-UHFFFAOYSA-N 0 0 317.348 3.296 10 30 DGEERN CC(C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)Nc1ccccc1 ZINC000531157924 435076894 /nfs/dbraw/zinc/07/68/94/435076894.db2.gz LWGNAWQJPBYAEZ-LJQANCHMSA-N 0 0 321.424 3.354 10 30 DGEERN COC(=O)c1cc(C#N)c(Br)c(C(F)(F)F)c1 ZINC000575383907 435034815 /nfs/dbraw/zinc/03/48/15/435034815.db2.gz RLKUPYVHYKXCKW-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)Cc1cc(C=O)c(SC(F)(F)F)cc1C#N ZINC000575391454 435035024 /nfs/dbraw/zinc/03/50/24/435035024.db2.gz MUXBOLHGCHICFH-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000529263034 435035084 /nfs/dbraw/zinc/03/50/84/435035084.db2.gz ZZXOBOJMUYLJKC-SJORKVTESA-N 0 0 316.401 3.046 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1C=O ZINC000575391792 435035442 /nfs/dbraw/zinc/03/54/42/435035442.db2.gz UZEJKPOPQBCOAJ-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529453382 435036503 /nfs/dbraw/zinc/03/65/03/435036503.db2.gz BZVLYCRJPXMRQZ-TWMKSMIVSA-N 0 0 303.377 3.169 10 30 DGEERN N#CCc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1OC(F)F ZINC000575664777 435040500 /nfs/dbraw/zinc/04/05/00/435040500.db2.gz ABEINXGHEUCMIQ-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN CCOc1cc(I)c(C#N)c(C(F)F)c1 ZINC000575665058 435040864 /nfs/dbraw/zinc/04/08/64/435040864.db2.gz BYLXWLAURAFOHN-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN CCOc1cc(I)c(C(F)F)cc1C#N ZINC000575666917 435041475 /nfs/dbraw/zinc/04/14/75/435041475.db2.gz NUCYCIPTOAUNGT-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#Cc1cc([N+](=O)[O-])c(I)cc1C(F)F ZINC000575670650 435041801 /nfs/dbraw/zinc/04/18/01/435041801.db2.gz HZZUVTUSLPLDMR-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN CCOc1cc(I)cc(CC)c1C#N ZINC000575671492 435041850 /nfs/dbraw/zinc/04/18/50/435041850.db2.gz YEQNOKRSNDERBQ-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN CCOc1cc(I)c(C(F)F)c(C#N)c1 ZINC000575667601 435042018 /nfs/dbraw/zinc/04/20/18/435042018.db2.gz RWBXTYDWMYSQEI-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN C=C[C@@](C)(O)C(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000529939142 435042164 /nfs/dbraw/zinc/04/21/64/435042164.db2.gz SPINRKISJYDBRK-QGZVFWFLSA-N 0 0 305.805 3.201 10 30 DGEERN CCOc1cc(C#N)cc(C(F)F)c1I ZINC000575667589 435042310 /nfs/dbraw/zinc/04/23/10/435042310.db2.gz RHNLZICQWZVHNJ-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#Cc1cc(C(F)F)cc(I)c1[N+](=O)[O-] ZINC000575671433 435042358 /nfs/dbraw/zinc/04/23/58/435042358.db2.gz QHMUONDJGXVMRL-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc(OC(F)F)cc([N+](=O)[O-])c1Br ZINC000575685267 435044143 /nfs/dbraw/zinc/04/41/43/435044143.db2.gz KFWSXMUKTPHRAM-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CC[C@H](CC(=O)Nc1nnc(C2CCC2)[nH]1)c1ccccc1 ZINC000530292383 435044540 /nfs/dbraw/zinc/04/45/40/435044540.db2.gz MSUQPOMPZZVWHI-CQSZACIVSA-N 0 0 309.373 3.098 10 30 DGEERN CCOc1cc(I)c(CC#N)c(CC)c1 ZINC000575693922 435044950 /nfs/dbraw/zinc/04/49/50/435044950.db2.gz AKDDWVXHCSAJQC-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN Cc1cc(C#N)c(Br)cc1I ZINC000575693187 435045263 /nfs/dbraw/zinc/04/52/63/435045263.db2.gz NEILYXVOYNCISB-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CCOc1cc(I)c(CC#N)cc1CC ZINC000575693973 435045813 /nfs/dbraw/zinc/04/58/13/435045813.db2.gz AVWCOQDWWYGFPE-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN COc1ccc(CCCN(C)C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530672273 435046870 /nfs/dbraw/zinc/04/68/70/435046870.db2.gz PKXGFAYXOCVZQY-UHFFFAOYSA-N 0 0 322.408 3.201 10 30 DGEERN CCOc1cc(CC)cc(I)c1CC#N ZINC000575695388 435046833 /nfs/dbraw/zinc/04/68/33/435046833.db2.gz KBPVMDWUXGXQJY-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN CCOc1cc(I)cc(C)c1CC#N ZINC000575697530 435047052 /nfs/dbraw/zinc/04/70/52/435047052.db2.gz FLSISHJFDZCGEG-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CSc1cc(CC#N)c(I)cc1C ZINC000575709004 435049078 /nfs/dbraw/zinc/04/90/78/435049078.db2.gz LBTFEVBQJZKQFT-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@@H]1CCCc2sccc21 ZINC000575814765 435053343 /nfs/dbraw/zinc/05/33/43/435053343.db2.gz BOIHFDWDHNRPHK-CQSZACIVSA-N 0 0 320.458 3.104 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2occ(C)c2c1 ZINC000575798677 435053394 /nfs/dbraw/zinc/05/33/94/435053394.db2.gz ZSOLTLJMNDMMDP-WFASDCNBSA-N 0 0 300.358 3.454 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)CCOCC1 ZINC000576101817 435054143 /nfs/dbraw/zinc/05/41/43/435054143.db2.gz CZEYGBAZAZOZFO-UHFFFAOYSA-N 0 0 312.369 3.252 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H](COC)CC1 ZINC000576438529 435055997 /nfs/dbraw/zinc/05/59/97/435055997.db2.gz JVVKSKUGFGMJJH-OAHLLOKOSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)COCCNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000474541075 435150787 /nfs/dbraw/zinc/15/07/87/435150787.db2.gz MYIJYGGILPUFDM-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1 ZINC000559079078 435120877 /nfs/dbraw/zinc/12/08/77/435120877.db2.gz GEXGRUYWOHNFFG-UHFFFAOYSA-N 0 0 309.417 3.319 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000469250601 435130608 /nfs/dbraw/zinc/13/06/08/435130608.db2.gz HLXSCHOBEPVHBE-SNVBAGLBSA-N 0 0 305.328 3.896 10 30 DGEERN N#CCC[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000532691515 435184671 /nfs/dbraw/zinc/18/46/71/435184671.db2.gz LWBNSKHDTKEEIT-GOSISDBHSA-N 0 0 303.365 3.262 10 30 DGEERN C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2C(C)C)cc(OC)c1OC ZINC000475348668 435192870 /nfs/dbraw/zinc/19/28/70/435192870.db2.gz MPJDJVOOOSDYIH-JKSUJKDBSA-N 0 0 317.429 3.341 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000476100725 435222196 /nfs/dbraw/zinc/22/21/96/435222196.db2.gz FLFITGOSBUQLSD-UGSOOPFHSA-N 0 0 321.392 3.323 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000582512049 435240566 /nfs/dbraw/zinc/24/05/66/435240566.db2.gz QECWYCAJCOVETE-LLVKDONJSA-N 0 0 319.355 4.000 10 30 DGEERN C[C@H](CC(=O)NCCC(=O)N1CCCCCC1)c1cccnc1 ZINC000329291159 298244122 /nfs/dbraw/zinc/24/41/22/298244122.db2.gz INXXEVRIEMOMOG-OAHLLOKOSA-N 0 0 317.433 3.324 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCCOCC1CCC1 ZINC000562282708 435256934 /nfs/dbraw/zinc/25/69/34/435256934.db2.gz GZHJKIHDKWSXAH-UHFFFAOYSA-N 0 0 316.445 3.243 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sc(C(C)C)nc1C ZINC000562446359 435259813 /nfs/dbraw/zinc/25/98/13/435259813.db2.gz VDPCRNPIXQKZEU-STQMWFEESA-N 0 0 308.447 3.286 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC000564730248 435273418 /nfs/dbraw/zinc/27/34/18/435273418.db2.gz OBNNNUDWCKCIFP-ZBEGNZNMSA-N 0 0 303.333 3.283 10 30 DGEERN C=CCC1(c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)CCC1 ZINC000564866618 435274011 /nfs/dbraw/zinc/27/40/11/435274011.db2.gz BMUYNBYSJKZQSQ-UHFFFAOYSA-N 0 0 311.385 3.151 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000565168330 435276688 /nfs/dbraw/zinc/27/66/88/435276688.db2.gz DGDFTXUMMKPAQW-CQSZACIVSA-N 0 0 304.438 4.030 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000565331097 435277326 /nfs/dbraw/zinc/27/73/26/435277326.db2.gz FDUUAHLVAWXBIP-AWEZNQCLSA-N 0 0 318.465 3.201 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000565771157 435281772 /nfs/dbraw/zinc/28/17/72/435281772.db2.gz CAESJDVWNDQALQ-BZSNNMDCSA-N 0 0 314.429 3.085 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000565854517 435282703 /nfs/dbraw/zinc/28/27/03/435282703.db2.gz OERKVLOFBATTBQ-BQFCYCMXSA-N 0 0 300.446 3.368 10 30 DGEERN C=CCOc1ccc(CN(CCO)c2ccccc2OC)cc1 ZINC000567148173 435292367 /nfs/dbraw/zinc/29/23/67/435292367.db2.gz HHYXSGYGTDZUCY-UHFFFAOYSA-N 0 0 313.397 3.259 10 30 DGEERN C=CCN(CCOC)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000478206727 435292673 /nfs/dbraw/zinc/29/26/73/435292673.db2.gz IOEQMSVOAJCVBR-UHFFFAOYSA-N 0 0 305.418 3.024 10 30 DGEERN C=CCCCCCNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000567288506 435304837 /nfs/dbraw/zinc/30/48/37/435304837.db2.gz QWIWBPHCRVWLAD-UHFFFAOYSA-N 0 0 312.417 3.418 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCCC1(COC)CC1 ZINC000567757316 435350603 /nfs/dbraw/zinc/35/06/03/435350603.db2.gz LEPAFSXHXOIJKP-QGZVFWFLSA-N 0 0 316.445 3.290 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000567859427 435362350 /nfs/dbraw/zinc/36/23/50/435362350.db2.gz BOAABVFFSUPJCQ-LOWVWBTDSA-N 0 0 317.462 3.377 10 30 DGEERN C=CCCCCCNC(=O)c1cc(F)ccc1N1CCOCC1 ZINC000568170497 435401573 /nfs/dbraw/zinc/40/15/73/435401573.db2.gz MJFJRJCMFXDZEY-UHFFFAOYSA-N 0 0 320.408 3.139 10 30 DGEERN CC(C)(C)OC(=O)c1ccccc1NC(=O)NCC(C)(C)C#N ZINC000480716776 435393500 /nfs/dbraw/zinc/39/35/00/435393500.db2.gz LSQHBVMVZMMDRX-UHFFFAOYSA-N 0 0 317.389 3.313 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N(CC)CC(=C)C ZINC000513584254 435393772 /nfs/dbraw/zinc/39/37/72/435393772.db2.gz RZHYIURPEUQWBW-UHFFFAOYSA-N 0 0 318.373 3.127 10 30 DGEERN N#CC1CCC(CNC(=O)N[C@H]2CCc3ccc(F)cc32)CC1 ZINC000568167138 435399378 /nfs/dbraw/zinc/39/93/78/435399378.db2.gz XXMVQVYRMVIENS-FVKWTLKZSA-N 0 0 315.392 3.442 10 30 DGEERN C=CCCCCNC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000515190593 435468666 /nfs/dbraw/zinc/46/86/66/435468666.db2.gz JHFBCLIDWQMOIC-UHFFFAOYSA-N 0 0 308.353 3.399 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000515355460 435478430 /nfs/dbraw/zinc/47/84/30/435478430.db2.gz VNUWBKYLDWEYJI-QWHCGFSZSA-N 0 0 307.442 3.425 10 30 DGEERN COc1ccc(C[C@@H]2CCCN(c3ccncc3C#N)C2)cc1 ZINC000568462054 435438250 /nfs/dbraw/zinc/43/82/50/435438250.db2.gz SCEFVJVDGLUNHO-INIZCTEOSA-N 0 0 307.397 3.421 10 30 DGEERN CC#CCCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000483118052 435495181 /nfs/dbraw/zinc/49/51/81/435495181.db2.gz PQZSQQNMVQWEDD-NSHDSACASA-N 0 0 313.184 3.140 10 30 DGEERN CCCNc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000569889144 435568637 /nfs/dbraw/zinc/56/86/37/435568637.db2.gz YAOJXFLFZQKQPD-UHFFFAOYSA-N 0 0 307.397 3.239 10 30 DGEERN C=CCN(C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C)C1CC1 ZINC000540126804 435588485 /nfs/dbraw/zinc/58/84/85/435588485.db2.gz FQQCIPBKYJGRGK-OGHNNQOOSA-N 0 0 300.402 3.300 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1 ZINC000486142529 435589824 /nfs/dbraw/zinc/58/98/24/435589824.db2.gz IKDTVBNONYAZOW-ZJPYXAASSA-N 0 0 315.413 3.039 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000570407644 435617568 /nfs/dbraw/zinc/61/75/68/435617568.db2.gz HSONOMVICMZSEZ-XJKSGUPXSA-N 0 0 308.397 3.293 10 30 DGEERN C=CCN(CCc1ccco1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000541005247 435632967 /nfs/dbraw/zinc/63/29/67/435632967.db2.gz KLAHOUUJQYWBDM-UHFFFAOYSA-N 0 0 301.346 3.435 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000541312254 435641362 /nfs/dbraw/zinc/64/13/62/435641362.db2.gz IVHDGFLESMQLLB-INIZCTEOSA-N 0 0 304.459 3.413 10 30 DGEERN CC(C)(C#N)NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000541782306 435645137 /nfs/dbraw/zinc/64/51/37/435645137.db2.gz ROJCCKMKVXNWOH-UHFFFAOYSA-N 0 0 308.790 3.074 10 30 DGEERN C=C[C@@H](C)NC(=O)Nc1cc(F)cc(Br)c1F ZINC000490485395 435658984 /nfs/dbraw/zinc/65/89/84/435658984.db2.gz RYKCAIWGXPSIBS-ZCFIWIBFSA-N 0 0 305.122 3.423 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(CC)cc1 ZINC000520163593 435726123 /nfs/dbraw/zinc/72/61/23/435726123.db2.gz JNCDWINIGUZSNV-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCN(C3CC3)c3ccccc32)c1 ZINC000548641676 435705743 /nfs/dbraw/zinc/70/57/43/435705743.db2.gz LWVFLFSWDMZFBV-UHFFFAOYSA-N 0 0 317.392 3.116 10 30 DGEERN C=CCCC[C@@H](C)[NH+]1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000519769684 435708286 /nfs/dbraw/zinc/70/82/86/435708286.db2.gz VTUZVAWCWZCXJO-CYBMUJFWSA-N 0 0 305.422 3.271 10 30 DGEERN C=CCCCCCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000571462464 435708747 /nfs/dbraw/zinc/70/87/47/435708747.db2.gz PQKMNUJYITVZRY-UHFFFAOYSA-N 0 0 306.454 3.015 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCc1ccc(CC#N)cc1 ZINC000571637432 435722626 /nfs/dbraw/zinc/72/26/26/435722626.db2.gz JBDACKGLOMSDFR-UHFFFAOYSA-N 0 0 323.396 3.286 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000572129135 435785642 /nfs/dbraw/zinc/78/56/42/435785642.db2.gz ZOYLDGLQCYKTGR-RDJZCZTQSA-N 0 0 324.428 3.074 10 30 DGEERN Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C(C)(C)C)nn1)CCO2 ZINC000191228241 301875845 /nfs/dbraw/zinc/87/58/45/301875845.db2.gz QDCATQLLRLKDPS-RAXLEYEMSA-N 0 0 311.385 3.390 10 30 DGEERN Cc1cccc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1C#N ZINC000408171628 302013275 /nfs/dbraw/zinc/01/32/75/302013275.db2.gz LSDXCRYLFPBWIB-DYVFJYSZSA-N 0 0 318.442 3.068 10 30 DGEERN Cc1cnc([C@H](C)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000329158991 302370759 /nfs/dbraw/zinc/37/07/59/302370759.db2.gz XGNLQZXXUGUFEO-ZJNRKIDTSA-N 0 0 322.368 3.039 10 30 DGEERN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccnc(C#N)c1 ZINC000192494632 302977886 /nfs/dbraw/zinc/97/78/86/302977886.db2.gz NXFVGRYSTBTGKA-QGZVFWFLSA-N 0 0 308.385 3.049 10 30 DGEERN CN(c1ccccc1F)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000170664115 312699301 /nfs/dbraw/zinc/69/93/01/312699301.db2.gz IHRPDCSCKKGWFV-UHFFFAOYSA-N 0 0 324.764 3.176 10 30 DGEERN Cc1ccnn1-c1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000541368010 314011468 /nfs/dbraw/zinc/01/14/68/314011468.db2.gz PLAYAVNAKGNJKH-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000541789499 314038742 /nfs/dbraw/zinc/03/87/42/314038742.db2.gz HMHCEFYMAVVHCH-SECBINFHSA-N 0 0 305.790 3.468 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000541872457 314044639 /nfs/dbraw/zinc/04/46/39/314044639.db2.gz RLITYAOELKSKFP-ZDUSSCGKSA-N 0 0 312.394 3.161 10 30 DGEERN COCc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(C#N)c2)o1 ZINC000545229739 314236281 /nfs/dbraw/zinc/23/62/81/314236281.db2.gz JYNAJUWAZRXTND-KRWDZBQOSA-N 0 0 324.380 3.204 10 30 DGEERN N#Cc1cnccc1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000545239975 314236671 /nfs/dbraw/zinc/23/66/71/314236671.db2.gz JFCOHAIZXDPOMF-INIZCTEOSA-N 0 0 315.323 3.466 10 30 DGEERN CC(C)C[C@H](C)Oc1cc(CNc2ccncc2C#N)ccn1 ZINC000547826211 314399582 /nfs/dbraw/zinc/39/95/82/314399582.db2.gz BEEKAOBEIPEEGZ-AWEZNQCLSA-N 0 0 310.401 3.196 10 30 DGEERN Cc1ccc2[nH]c([C@H]3CCCN3c3nc(C)cc(C#N)n3)nc2c1 ZINC000565850573 315291916 /nfs/dbraw/zinc/29/19/16/315291916.db2.gz QWTAYVHIYACZEO-MRXNPFEDSA-N 0 0 318.384 3.183 10 30 DGEERN Cc1nc2sccn2c1-c1noc(Cc2cccc(C#N)c2)n1 ZINC000571488196 315724028 /nfs/dbraw/zinc/72/40/28/315724028.db2.gz LQQMKXCQLHHLJB-UHFFFAOYSA-N 0 0 321.365 3.217 10 30 DGEERN C[C@H](Nc1cc(C#N)ccn1)C1CCN(CC(F)(F)F)CC1 ZINC000576216568 316107333 /nfs/dbraw/zinc/10/73/33/316107333.db2.gz TVFHDAREZTYTMF-NSHDSACASA-N 0 0 312.339 3.028 10 30 DGEERN C[C@@H](Nc1cnccc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000577994847 316292741 /nfs/dbraw/zinc/29/27/41/316292741.db2.gz YLNTZKNOAOMMNG-LLVKDONJSA-N 0 0 312.339 3.028 10 30 DGEERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(C#N)cn3)C2)c1 ZINC000183752969 323347649 /nfs/dbraw/zinc/34/76/49/323347649.db2.gz JAXXEPKABRYRFG-MRXNPFEDSA-N 0 0 305.381 3.200 10 30 DGEERN CS[C@@H]1CCC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000187089634 323411306 /nfs/dbraw/zinc/41/13/06/323411306.db2.gz XJHGYZGAABSKBW-JKSUJKDBSA-N 0 0 314.454 3.380 10 30 DGEERN CCn1c2cc(F)ccc2nc1NC(=O)Cc1cccc(C#N)c1 ZINC000539815186 323685429 /nfs/dbraw/zinc/68/54/29/323685429.db2.gz KCNIJEBECXNPJD-UHFFFAOYSA-N 0 0 322.343 3.248 10 30 DGEERN N#Cc1c(NCCOCC2CCC2)nc2cc(Cl)ccn21 ZINC000583161784 324321104 /nfs/dbraw/zinc/32/11/04/324321104.db2.gz OMOQAYWABSKPSC-UHFFFAOYSA-N 0 0 304.781 3.088 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1nccc(Br)c1C ZINC000583920033 331470764 /nfs/dbraw/zinc/47/07/64/331470764.db2.gz BAQRRQXQABIZGI-JTQLQIEISA-N 0 0 313.195 3.072 10 30 DGEERN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000180675888 331575212 /nfs/dbraw/zinc/57/52/12/331575212.db2.gz AOPMSLGZSSIJHH-UHFFFAOYSA-N 0 0 324.808 3.100 10 30 DGEERN C#Cc1ccc(CNC(=O)NC2(c3cccc(OC)c3)CC2)cc1 ZINC000297516480 331600311 /nfs/dbraw/zinc/60/03/11/331600311.db2.gz HFONWUOUGVJHDR-UHFFFAOYSA-N 0 0 320.392 3.165 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000185888104 331663833 /nfs/dbraw/zinc/66/38/33/331663833.db2.gz HTBMNTGBMGECNZ-SECBINFHSA-N 0 0 313.184 3.142 10 30 DGEERN C=CCCCN(C)c1nnc(COc2ccccc2F)n1CC ZINC000558858152 331952689 /nfs/dbraw/zinc/95/26/89/331952689.db2.gz RDPGEUXKDGLWAZ-UHFFFAOYSA-N 0 0 318.396 3.419 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1nccn1C(F)F ZINC000573384146 331981081 /nfs/dbraw/zinc/98/10/81/331981081.db2.gz RDZFKDBMYYWFGF-UHFFFAOYSA-N 0 0 300.353 3.166 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(CC)CC1CC1 ZINC000518261112 332002091 /nfs/dbraw/zinc/00/20/91/332002091.db2.gz AIWFILHQVZHMCG-KRWDZBQOSA-N 0 0 324.428 3.377 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(Cl)cc1Cl ZINC000569562165 332138766 /nfs/dbraw/zinc/13/87/66/332138766.db2.gz WGPNKVMROHVZDJ-OLZOCXBDSA-N 0 0 315.200 3.136 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000569585148 332145883 /nfs/dbraw/zinc/14/58/83/332145883.db2.gz AJDDQWFASDFVDY-ZDUSSCGKSA-N 0 0 304.438 3.125 10 30 DGEERN C=C(C)[C@H](NCC(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187764341 332346132 /nfs/dbraw/zinc/34/61/32/332346132.db2.gz KFOWDVUAYAYOQF-INIZCTEOSA-N 0 0 310.388 3.476 10 30 DGEERN C=CCCCCCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000583390844 332381803 /nfs/dbraw/zinc/38/18/03/332381803.db2.gz CAWPAJRCCCDIGJ-UHFFFAOYSA-N 0 0 318.392 3.407 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC)c1ccccc1 ZINC000425588120 335107686 /nfs/dbraw/zinc/10/76/86/335107686.db2.gz SFPJRNAPAAOOCK-PVAVHDDUSA-N 0 0 302.418 3.071 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000566434156 332407575 /nfs/dbraw/zinc/40/75/75/332407575.db2.gz MFNJFFSEOPBLFM-CYBMUJFWSA-N 0 0 318.421 3.284 10 30 DGEERN C=C(C)COCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000151464332 332579286 /nfs/dbraw/zinc/57/92/86/332579286.db2.gz WGQDGNSDGJHNAI-OAHLLOKOSA-N 0 0 306.406 3.417 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000569740983 332673665 /nfs/dbraw/zinc/67/36/65/332673665.db2.gz XRUHQGRKAHAAAI-UHFFFAOYSA-N 0 0 324.808 3.150 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000293800999 335117447 /nfs/dbraw/zinc/11/74/47/335117447.db2.gz ACCXQGIGDOUTKF-NSHDSACASA-N 0 0 300.324 3.361 10 30 DGEERN N#CC1(NC(=O)C[C@H]2CCCc3ccccc32)CCSCC1 ZINC000179085984 333146463 /nfs/dbraw/zinc/14/64/63/333146463.db2.gz MXEZEJULRYKSQK-OAHLLOKOSA-N 0 0 314.454 3.402 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CC1(CC(=O)OC)CCCC1 ZINC000187852756 333150426 /nfs/dbraw/zinc/15/04/26/333150426.db2.gz GBXMLLICMLSVIM-UHFFFAOYSA-N 0 0 321.339 3.077 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364065295 333231223 /nfs/dbraw/zinc/23/12/23/333231223.db2.gz UPIYQPIKFUOMCH-OAHLLOKOSA-N 0 0 310.397 3.346 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000188313767 333363201 /nfs/dbraw/zinc/36/32/01/333363201.db2.gz GGGLDXUWMZQFAO-UHFFFAOYSA-N 0 0 318.339 3.482 10 30 DGEERN C=CCNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000188415399 333365910 /nfs/dbraw/zinc/36/59/10/333365910.db2.gz CWIZPMYDHGRPDY-SECBINFHSA-N 0 0 313.195 3.004 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338137922 333471906 /nfs/dbraw/zinc/47/19/06/333471906.db2.gz DFEDJYDJOYJZJD-YJBOKZPZSA-N 0 0 321.392 3.167 10 30 DGEERN Cc1nnc(-c2cccc(C(=O)N[C@](C)(C#N)CC(C)C)c2)o1 ZINC000531647699 333541353 /nfs/dbraw/zinc/54/13/53/333541353.db2.gz ULOXJFUEQJXZNZ-KRWDZBQOSA-N 0 0 312.373 3.103 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000563677982 334341219 /nfs/dbraw/zinc/34/12/19/334341219.db2.gz HZCFYHSHCXBZLV-MRVPVSSYSA-N 0 0 315.251 3.036 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000572501048 338475463 /nfs/dbraw/zinc/47/54/63/338475463.db2.gz ZQYNVHFCNKXBCE-GASCZTMLSA-N 0 0 306.454 3.056 10 30 DGEERN CC#CCNC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000535685270 335729176 /nfs/dbraw/zinc/72/91/76/335729176.db2.gz HTAPYGZHCBJGEB-IBGZPJMESA-N 0 0 322.408 3.267 10 30 DGEERN CC#CCNC(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000535685342 335729291 /nfs/dbraw/zinc/72/92/91/335729291.db2.gz HTAPYGZHCBJGEB-LJQANCHMSA-N 0 0 322.408 3.267 10 30 DGEERN C=CC1CCN(C(=O)c2oc(COC(C)(C)C)nc2C)CC1 ZINC000519756483 335892958 /nfs/dbraw/zinc/89/29/58/335892958.db2.gz BUWFBASTJAKAEM-UHFFFAOYSA-N 0 0 306.406 3.336 10 30 DGEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000302179528 336352605 /nfs/dbraw/zinc/35/26/05/336352605.db2.gz RMVCQCXOWATNGW-LLVKDONJSA-N 0 0 316.279 3.395 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000514614682 336385873 /nfs/dbraw/zinc/38/58/73/336385873.db2.gz YBUQIKGISWVPMQ-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H](C)c2ccc3ncsc3c2)C1=O ZINC000514663845 336396137 /nfs/dbraw/zinc/39/61/37/336396137.db2.gz KJBBAPAHNXPWLR-MFKMUULPSA-N 0 0 315.398 3.244 10 30 DGEERN Cc1c(C(=O)N2CCC(C)(C#N)CC2)cnn1-c1cccc(C)c1 ZINC000356972694 336567878 /nfs/dbraw/zinc/56/78/78/336567878.db2.gz KKCGGVMWJMJOHO-UHFFFAOYSA-N 0 0 322.412 3.255 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000356979251 336568444 /nfs/dbraw/zinc/56/84/44/336568444.db2.gz RFPLOIIQDFHWGQ-CQSZACIVSA-N 0 0 300.427 3.418 10 30 DGEERN C=CC[C@H]1N(c2nnc(C)n2C[C@H]2CCCO2)CCCC1(C)C ZINC000359451356 336673547 /nfs/dbraw/zinc/67/35/47/336673547.db2.gz OJTBQUJFANKOAE-HZPDHXFCSA-N 0 0 318.465 3.337 10 30 DGEERN C=C(CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000359467289 336674115 /nfs/dbraw/zinc/67/41/15/336674115.db2.gz MCJIMCQOKCVACC-IBGZPJMESA-N 0 0 324.355 3.306 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000582474015 337095592 /nfs/dbraw/zinc/09/55/92/337095592.db2.gz AJGMYBAIFXBKOE-MRXNPFEDSA-N 0 0 316.449 3.127 10 30 DGEERN CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177380492 337155702 /nfs/dbraw/zinc/15/57/02/337155702.db2.gz PXDWTWKBHAFUMD-CABCVRRESA-N 0 0 321.469 3.409 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000185060088 337201678 /nfs/dbraw/zinc/20/16/78/337201678.db2.gz PXZBWBQQCDVDBF-MRXNPFEDSA-N 0 0 320.477 3.230 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000185065721 337202727 /nfs/dbraw/zinc/20/27/27/337202727.db2.gz FGHNWDMPCHGXAO-AWEZNQCLSA-N 0 0 312.417 3.038 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000582828901 337206390 /nfs/dbraw/zinc/20/63/90/337206390.db2.gz ALSIOVYZFGADBP-WBVHZDCISA-N 0 0 315.417 3.452 10 30 DGEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000584389287 337247767 /nfs/dbraw/zinc/24/77/67/337247767.db2.gz NKBUWIDZKYYQKZ-NSHDSACASA-N 0 0 300.308 3.256 10 30 DGEERN Cc1cc(NC(=O)c2cc(O)c3ccccc3c2)n(CCC#N)n1 ZINC000525918887 337267454 /nfs/dbraw/zinc/26/74/54/337267454.db2.gz CZVMRAIUWONUQA-UHFFFAOYSA-N 0 0 320.352 3.216 10 30 DGEERN C=CCCCCCNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000584419247 337323404 /nfs/dbraw/zinc/32/34/04/337323404.db2.gz AHKHFOFUEPXFIN-CVEARBPZSA-N 0 0 306.450 3.476 10 30 DGEERN N#Cc1ccc([C@@H](O)c2ccc(O)c(Br)c2)cc1 ZINC000584598952 337370570 /nfs/dbraw/zinc/37/05/70/337370570.db2.gz CPWJQHLIBGPJJF-CQSZACIVSA-N 0 0 304.143 3.108 10 30 DGEERN COC([O-])=C([N+]#N)C(=O)C=Cc1ccc(Br)cc1 ZINC000584606264 337371653 /nfs/dbraw/zinc/37/16/53/337371653.db2.gz JWQWQLPUFXUNRA-QPJJXVBHSA-O 0 0 310.127 3.258 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000571909633 337581703 /nfs/dbraw/zinc/58/17/03/337581703.db2.gz RODNVJMMIBGOSS-GOSISDBHSA-N 0 0 324.428 3.182 10 30 DGEERN C=CCCCCCN1C(=O)N[C@H](c2ccc(OC)c(F)c2)C1=O ZINC000571937209 337582806 /nfs/dbraw/zinc/58/28/06/337582806.db2.gz OUYUUVADWYALQV-OAHLLOKOSA-N 0 0 320.364 3.174 10 30 DGEERN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)C1CC1 ZINC000161651437 337593984 /nfs/dbraw/zinc/59/39/84/337593984.db2.gz HUHAOHPDNSXMOD-ZDUSSCGKSA-N 0 0 315.760 3.335 10 30 DGEERN C/C=C\c1ccc(OCC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000255292328 337602027 /nfs/dbraw/zinc/60/20/27/337602027.db2.gz KPEBSKPVNVNGCA-HPFMTEOYSA-N 0 0 316.401 3.162 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000097207965 337944201 /nfs/dbraw/zinc/94/42/01/337944201.db2.gz ILBWAZQVQZVZIZ-INIZCTEOSA-N 0 0 316.792 3.194 10 30 DGEERN C=CCSCCNS(=O)(=O)c1cccc2ccccc21 ZINC000083988212 337999441 /nfs/dbraw/zinc/99/94/41/337999441.db2.gz LOLQJKGWQNDWGN-UHFFFAOYSA-N 0 0 307.440 3.037 10 30 DGEERN Cc1cc(Br)cc(C)c1CNC(=O)NC[C@@H](C)C#N ZINC000516504317 338014062 /nfs/dbraw/zinc/01/40/62/338014062.db2.gz LZEJQEAATXFLBW-VIFPVBQESA-N 0 0 324.222 3.025 10 30 DGEERN C=CCCCCNc1ccccc1C(=O)N1CCC[C@@H]1CO ZINC000516540824 338014926 /nfs/dbraw/zinc/01/49/26/338014926.db2.gz ACQBVNSPPGASGN-OAHLLOKOSA-N 0 0 302.418 3.052 10 30 DGEERN C=CC1CCN(C(=O)Nc2cc(OC)cc(OC)c2C)CC1 ZINC000505001293 340158444 /nfs/dbraw/zinc/15/84/44/340158444.db2.gz RCIVCPUMTUGEGM-UHFFFAOYSA-N 0 0 304.390 3.442 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@H](C)Cn1cccn1 ZINC000505023847 340159179 /nfs/dbraw/zinc/15/91/79/340159179.db2.gz PEPPLDLWESMBEU-HNNXBMFYSA-N 0 0 312.417 3.460 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000505045984 340159882 /nfs/dbraw/zinc/15/98/82/340159882.db2.gz NAAANAAFFMVISW-WBVHZDCISA-N 0 0 302.418 3.430 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000505051051 340160151 /nfs/dbraw/zinc/16/01/51/340160151.db2.gz HZRCOBTXCSYMSZ-ZBFHGGJFSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCCOC(F)(F)F ZINC000505062278 340160481 /nfs/dbraw/zinc/16/04/81/340160481.db2.gz QJRSHAQXOWBIAL-UHFFFAOYSA-N 0 0 302.296 3.463 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@@H](C)C2CCCC2)c(OC)c1 ZINC000505126227 340162193 /nfs/dbraw/zinc/16/21/93/340162193.db2.gz WSLXCQDTQJUQHG-AWEZNQCLSA-N 0 0 317.429 3.497 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cc(OC)cc(OC)c1C ZINC000507696627 340228540 /nfs/dbraw/zinc/22/85/40/340228540.db2.gz FTXBKFCIGIDIGD-AWEZNQCLSA-N 0 0 318.417 3.013 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(C)C)C1 ZINC000508505063 340245125 /nfs/dbraw/zinc/24/51/25/340245125.db2.gz MMDABTKLJWOVFA-HNNXBMFYSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000508505064 340245141 /nfs/dbraw/zinc/24/51/41/340245141.db2.gz MMDABTKLJWOVFA-OAHLLOKOSA-N 0 0 311.433 3.317 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1O ZINC000508644125 340249379 /nfs/dbraw/zinc/24/93/79/340249379.db2.gz AWCUNWIIOYUSNA-CYBMUJFWSA-N 0 0 324.218 3.264 10 30 DGEERN C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C)CC1 ZINC000508677661 340250373 /nfs/dbraw/zinc/25/03/73/340250373.db2.gz CRCRVYBSWFLJEV-UHFFFAOYSA-N 0 0 321.428 3.376 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](CC)C1 ZINC000508833199 340253926 /nfs/dbraw/zinc/25/39/26/340253926.db2.gz OJMXNXYIHPJHHM-OAHLLOKOSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(F)C1 ZINC000508888978 340255145 /nfs/dbraw/zinc/25/51/45/340255145.db2.gz QLXKXPAVBXGCAI-GOSISDBHSA-N 0 0 314.408 3.302 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@](C)(CC)C1 ZINC000509000294 340257695 /nfs/dbraw/zinc/25/76/95/340257695.db2.gz XYAKSAYIDRBARJ-GOSISDBHSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCNC(=O)N(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000509132915 340261914 /nfs/dbraw/zinc/26/19/14/340261914.db2.gz UHYIZTVQZGZFRY-ZDUSSCGKSA-N 0 0 318.417 3.200 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](CC(C)C)C(=O)OC ZINC000512542424 340366203 /nfs/dbraw/zinc/36/62/03/340366203.db2.gz OZMMAZXBXJCLOB-QGZVFWFLSA-N 0 0 321.465 3.430 10 30 DGEERN CC(C)c1nc(C2(NCCCSCC#N)CCCC2)no1 ZINC000173902121 340377262 /nfs/dbraw/zinc/37/72/62/340377262.db2.gz ZINDBUNKKYWETK-UHFFFAOYSA-N 0 0 308.451 3.199 10 30 DGEERN CC(C)[C@H]1C[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000185020500 340497284 /nfs/dbraw/zinc/49/72/84/340497284.db2.gz SJMNRRGAHNEJSP-HUUCEWRRSA-N 0 0 309.331 3.465 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000185789109 340505114 /nfs/dbraw/zinc/50/51/14/340505114.db2.gz HOTWCNXPMROCBP-SWLSCSKDSA-N 0 0 320.820 3.164 10 30 DGEERN Cc1oc2ccccc2c1C(=O)NC1(C#N)CCSCC1 ZINC000186096988 340508178 /nfs/dbraw/zinc/50/81/78/340508178.db2.gz KJZZURXQXYRRSC-UHFFFAOYSA-N 0 0 300.383 3.260 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000189719190 340539603 /nfs/dbraw/zinc/53/96/03/340539603.db2.gz BCNWRXYHSVIRJZ-CQSZACIVSA-N 0 0 311.447 3.278 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1N(C)C ZINC000190184673 340543341 /nfs/dbraw/zinc/54/33/41/340543341.db2.gz WULOQIODCUNIJO-LBPRGKRZSA-N 0 0 304.390 3.080 10 30 DGEERN O=S1(=O)c2cccc3cccc(c23)N1CC#Cc1ccccc1 ZINC000191483034 340554742 /nfs/dbraw/zinc/55/47/42/340554742.db2.gz PUXPKGOIEPWSMK-UHFFFAOYSA-N 0 0 319.385 3.400 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1Nc1ccccc1OC ZINC000192918034 340570793 /nfs/dbraw/zinc/57/07/93/340570793.db2.gz ULABQKCZTCAQNS-ZDUSSCGKSA-N 0 0 309.369 3.471 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)Cn1ccc(C(F)F)n1 ZINC000528535621 340723524 /nfs/dbraw/zinc/72/35/24/340723524.db2.gz KUPVUNKQFMWRMK-UHFFFAOYSA-N 0 0 311.376 3.416 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000529455037 340756271 /nfs/dbraw/zinc/75/62/71/340756271.db2.gz JHDDIUJLWIXALI-BMQFZULRSA-N 0 0 317.816 3.076 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@](C)(O)COC ZINC000530394506 340790312 /nfs/dbraw/zinc/79/03/12/340790312.db2.gz MOWJVWHSKYPIGN-GOSISDBHSA-N 0 0 320.433 3.057 10 30 DGEERN C=CCN(C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C)C1CC1 ZINC000540126803 340915849 /nfs/dbraw/zinc/91/58/49/340915849.db2.gz FQQCIPBKYJGRGK-AHIWAGSCSA-N 0 0 300.402 3.300 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000128866661 340924724 /nfs/dbraw/zinc/92/47/24/340924724.db2.gz QWJVLHAJRPUSKI-OAHLLOKOSA-N 0 0 320.477 3.154 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543675995 341053477 /nfs/dbraw/zinc/05/34/77/341053477.db2.gz LMAQAVRAGOGVQF-HOTGVXAUSA-N 0 0 317.429 3.121 10 30 DGEERN C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000130922453 341054274 /nfs/dbraw/zinc/05/42/74/341054274.db2.gz CJADHBVBCPCLQF-AVGNSLFASA-N 0 0 324.421 3.161 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000546666402 341178055 /nfs/dbraw/zinc/17/80/55/341178055.db2.gz SRUZZAVUMLMQTC-ZDUSSCGKSA-N 0 0 303.362 3.017 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccccc1CC(=O)OCC ZINC000133642635 341180773 /nfs/dbraw/zinc/18/07/73/341180773.db2.gz RDIVCDKKDXHBNM-UHFFFAOYSA-N 0 0 301.386 3.499 10 30 DGEERN C=CCCCN(C)C(=O)C1=Cc2cccc(OCC)c2OC1 ZINC000076492052 341208275 /nfs/dbraw/zinc/20/82/75/341208275.db2.gz OTSKJZPZNXSJKJ-UHFFFAOYSA-N 0 0 301.386 3.286 10 30 DGEERN C=CCOc1ccc(CNc2cc(OC)n(C)n2)cc1Cl ZINC000547497801 341217840 /nfs/dbraw/zinc/21/78/40/341217840.db2.gz PHDFAXDRRYCPHM-UHFFFAOYSA-N 0 0 307.781 3.259 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1coc(COC)n1)c1ccc(F)c(F)c1 ZINC000547521545 341220077 /nfs/dbraw/zinc/22/00/77/341220077.db2.gz YGTYCGRNTMLOGG-OAHLLOKOSA-N 0 0 322.311 3.146 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000077448683 341224962 /nfs/dbraw/zinc/22/49/62/341224962.db2.gz FSEJJVIYSODHBM-UHFFFAOYSA-N 0 0 301.390 3.026 10 30 DGEERN C=C(C)COCCNC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000135013762 341228856 /nfs/dbraw/zinc/22/88/56/341228856.db2.gz BDEZMTKAHDIGKA-UHFFFAOYSA-N 0 0 314.788 3.213 10 30 DGEERN C=CCCCN(C)C(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000135271143 341235109 /nfs/dbraw/zinc/23/51/09/341235109.db2.gz ZRILFWVAJLIUHJ-UHFFFAOYSA-N 0 0 303.431 3.495 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CC#Cc1ccc(F)cc1 ZINC000135307021 341236263 /nfs/dbraw/zinc/23/62/63/341236263.db2.gz GCTDYLNQHZYMTH-UHFFFAOYSA-N 0 0 316.339 3.316 10 30 DGEERN C=CCc1ccccc1OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000078433746 341242105 /nfs/dbraw/zinc/24/21/05/341242105.db2.gz HSAPMZFBGHPHSC-UHFFFAOYSA-N 0 0 320.392 3.431 10 30 DGEERN C#CC[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000079206682 341255338 /nfs/dbraw/zinc/25/53/38/341255338.db2.gz HTKPMTZCOWKOOA-ZNMIVQPWSA-N 0 0 321.417 3.025 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000548878936 341279300 /nfs/dbraw/zinc/27/93/00/341279300.db2.gz PNFQDEICCDJGOB-GDBMZVCRSA-N 0 0 302.418 3.430 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000551271647 341336565 /nfs/dbraw/zinc/33/65/65/341336565.db2.gz SNAVJYQGRUMXQD-AEFFLSMTSA-N 0 0 300.402 3.249 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000551955419 341356028 /nfs/dbraw/zinc/35/60/28/341356028.db2.gz GOFHZWZPHMOWPU-CQSZACIVSA-N 0 0 306.406 3.011 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N(CCC)C[C@@H]1CCCCO1 ZINC000565862259 341540539 /nfs/dbraw/zinc/54/05/39/341540539.db2.gz XTLBALIQHCRRMB-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1CCCCC[C@H]1C ZINC000566219759 341551037 /nfs/dbraw/zinc/55/10/37/341551037.db2.gz GBKGARFTVUIBCH-LLVKDONJSA-N 0 0 302.344 3.338 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H](c2ccnn2C)C1 ZINC000567246797 341591003 /nfs/dbraw/zinc/59/10/03/341591003.db2.gz VQDBDBNQEKTWCP-OAHLLOKOSA-N 0 0 304.438 3.056 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000567419762 341603060 /nfs/dbraw/zinc/60/30/60/341603060.db2.gz PUSOLROPSLGVNZ-BXUZGUMPSA-N 0 0 315.398 3.125 10 30 DGEERN C=C(C)CNC(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000567760728 341632116 /nfs/dbraw/zinc/63/21/16/341632116.db2.gz YVCQUPQTSRQNAW-KBPBESRZSA-N 0 0 312.417 3.464 10 30 DGEERN C=CCOCCCC(=O)Nc1nccc(Br)c1C ZINC000568370632 341668660 /nfs/dbraw/zinc/66/86/60/341668660.db2.gz XXWYWMHMKGMJQI-UHFFFAOYSA-N 0 0 313.195 3.074 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000574193434 341751370 /nfs/dbraw/zinc/75/13/70/341751370.db2.gz VWSXHMGXWUWZEV-DEYYWGMASA-N 0 0 312.413 3.369 10 30 DGEERN C=CCOc1cccc(NC(=O)C2(C(=O)OC(C)(C)C)CC2)c1 ZINC000576045259 341822380 /nfs/dbraw/zinc/82/23/80/341822380.db2.gz XGBBYHRPJVJFCI-UHFFFAOYSA-N 0 0 317.385 3.312 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2nc(C)sc2c1 ZINC000576748144 341861271 /nfs/dbraw/zinc/86/12/71/341861271.db2.gz MWNPRCDRGPYTHV-FZMZJTMJSA-N 0 0 317.414 3.317 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccccc1Cn1cncn1 ZINC000577383684 341907297 /nfs/dbraw/zinc/90/72/97/341907297.db2.gz FNGXLYWWTJTALD-UHFFFAOYSA-N 0 0 313.405 3.194 10 30 DGEERN C=CCNC(=O)NC(C)(C)c1ccc(Br)c(C)c1 ZINC000577550739 341917176 /nfs/dbraw/zinc/91/71/76/341917176.db2.gz NHOJHPJVDIGZBT-UHFFFAOYSA-N 0 0 311.223 3.478 10 30 DGEERN CO[C@@H]1CN(c2cc(Br)ccc2C#N)CC[C@H]1C ZINC000300005124 1178039386 /nfs/dbraw/zinc/03/93/86/1178039386.db2.gz KYCWZYSZHBYAIZ-QMTHXVAHSA-N 0 0 309.207 3.182 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2ccc(Cl)cc21 ZINC000425855874 500581884 /nfs/dbraw/zinc/58/18/84/500581884.db2.gz NCTWRNGFIKXZQP-WFASDCNBSA-N 0 0 306.793 3.003 10 30 DGEERN C[C@H](NC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C1CC1 ZINC000358096870 533723591 /nfs/dbraw/zinc/72/35/91/533723591.db2.gz MLMSFUSHVNMECE-KWQFWETISA-N 0 0 319.817 3.472 10 30 DGEERN Cc1c(Cl)cc(S(=O)(=O)N(C)C(C)(C)C#N)cc1Cl ZINC000408240803 533871492 /nfs/dbraw/zinc/87/14/92/533871492.db2.gz FYNPMMXJACPFIZ-UHFFFAOYSA-N 0 0 321.229 3.225 10 30 DGEERN C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc2ccccc2c1 ZINC000121509313 533953487 /nfs/dbraw/zinc/95/34/87/533953487.db2.gz CHODUOSUPVMDJU-ZDUSSCGKSA-N 0 0 314.410 3.124 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCC(C(F)F)CC1 ZINC000458733732 534321086 /nfs/dbraw/zinc/32/10/86/534321086.db2.gz MIRIOYKVPJVOJN-YIOUJQMASA-N 0 0 316.392 3.091 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(c2ccc(C)cc2C)CC1 ZINC000452306632 534357815 /nfs/dbraw/zinc/35/78/15/534357815.db2.gz GALMZAGPOFKBPH-SJLPKXTDSA-N 0 0 313.441 3.432 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)COc1c(C)cccc1C ZINC000469038199 534360316 /nfs/dbraw/zinc/36/03/16/534360316.db2.gz RSUFNZKVISECBM-BRWVUGGUSA-N 0 0 317.429 3.168 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1OCC(C)C ZINC000469007588 534361083 /nfs/dbraw/zinc/36/10/83/534361083.db2.gz QEJNJHIIZDKKFN-SJLPKXTDSA-N 0 0 317.429 3.319 10 30 DGEERN C=CCN(C[C@H]1CC(c2ccccn2)=NO1)C(=O)CC(C)(C)C ZINC000006871484 518776898 /nfs/dbraw/zinc/77/68/98/518776898.db2.gz XCWAKKLDMWFBEB-CQSZACIVSA-N 0 0 315.417 3.025 10 30 DGEERN C=C(CC)CNC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000454871381 534409953 /nfs/dbraw/zinc/40/99/53/534409953.db2.gz LAECSPUZIFKSHI-UHFFFAOYSA-N 0 0 301.434 3.168 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](C)[C@H]1C)CCC2 ZINC000328662387 534510811 /nfs/dbraw/zinc/51/08/11/534510811.db2.gz XHUJJZDWZPFXRJ-CFVMTHIKSA-N 0 0 304.438 3.103 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000488838347 534555673 /nfs/dbraw/zinc/55/56/73/534555673.db2.gz LZYHFIZAOMHLQY-IAOVAPTHSA-N 0 0 312.413 3.462 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1csc2ccccc12 ZINC000456262950 534564557 /nfs/dbraw/zinc/56/45/57/534564557.db2.gz LKMMWGKGDXSQPQ-CABCVRRESA-N 0 0 301.411 3.294 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H](C)c1ccccc1C ZINC000455419775 534566183 /nfs/dbraw/zinc/56/61/83/534566183.db2.gz HTVDVZZGXFYVAG-OIISXLGYSA-N 0 0 302.418 3.431 10 30 DGEERN N#CC1(c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2)CC1 ZINC000182562310 534572354 /nfs/dbraw/zinc/57/23/54/534572354.db2.gz DCGSFBYAWBQCOK-UHFFFAOYSA-N 0 0 317.392 3.442 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCCOc3ccccc3)cc2)CC1 ZINC000182730222 534574197 /nfs/dbraw/zinc/57/41/97/534574197.db2.gz GTELWYQIBYWQPC-UHFFFAOYSA-N 0 0 320.392 3.441 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000456265914 534570646 /nfs/dbraw/zinc/57/06/46/534570646.db2.gz PKHCCZHHSVHOGO-MSOLQXFVSA-N 0 0 314.429 3.140 10 30 DGEERN N#CC1(c2ccc(C(=O)OCCCc3ccncc3)cc2)CC1 ZINC000182330191 534576160 /nfs/dbraw/zinc/57/61/60/534576160.db2.gz NKYHAJBOIXEORB-UHFFFAOYSA-N 0 0 306.365 3.426 10 30 DGEERN N#CC1(c2ccc(C(=O)Oc3cccc4c3OCCO4)cc2)CC1 ZINC000183508803 534577179 /nfs/dbraw/zinc/57/71/79/534577179.db2.gz UGGPNNCIRAJSRU-UHFFFAOYSA-N 0 0 321.332 3.232 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000455410743 534597436 /nfs/dbraw/zinc/59/74/36/534597436.db2.gz MIEVYTZDLBTARN-GDLCADMTSA-N 0 0 310.344 3.011 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000455423944 534598893 /nfs/dbraw/zinc/59/88/93/534598893.db2.gz YDIDLVQCEAZABT-KURKYZTESA-N 0 0 314.429 3.493 10 30 DGEERN N#CCCCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178686866 534600218 /nfs/dbraw/zinc/60/02/18/534600218.db2.gz YDDWPORZWPXQRH-ZDUSSCGKSA-N 0 0 313.323 3.153 10 30 DGEERN CC#CCCNC(=O)NCc1ccccc1OCc1ccccc1 ZINC000482852856 534701093 /nfs/dbraw/zinc/70/10/93/534701093.db2.gz BOZAHOVIRRESLT-UHFFFAOYSA-N 0 0 322.408 3.478 10 30 DGEERN N#CCc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1 ZINC000118765556 534721280 /nfs/dbraw/zinc/72/12/80/534721280.db2.gz FIIDGIRFRAQDEU-UHFFFAOYSA-N 0 0 301.349 3.482 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000489252001 534740424 /nfs/dbraw/zinc/74/04/24/534740424.db2.gz LRDYTJQRYINGPT-CQSZACIVSA-N 0 0 313.850 3.425 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000489252000 534741167 /nfs/dbraw/zinc/74/11/67/534741167.db2.gz LRDYTJQRYINGPT-AWEZNQCLSA-N 0 0 313.850 3.425 10 30 DGEERN N#C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1O)C1CC1 ZINC000179556206 534746074 /nfs/dbraw/zinc/74/60/74/534746074.db2.gz UQSLRSAZNOJKSS-INIZCTEOSA-N 0 0 308.337 3.216 10 30 DGEERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000329494080 534762214 /nfs/dbraw/zinc/76/22/14/534762214.db2.gz ULPNCRPECZNTSF-AVEIZBFRSA-N 0 0 314.429 3.394 10 30 DGEERN N#Cc1ccc(NCCN2CCc3c(Cl)cccc3C2)cn1 ZINC000302697411 534793764 /nfs/dbraw/zinc/79/37/64/534793764.db2.gz WQYHVJANYCATJD-UHFFFAOYSA-N 0 0 312.804 3.077 10 30 DGEERN N#Cc1cccc(OCCCCC(=O)Nc2cc(C#N)ccn2)c1 ZINC000436029032 534811945 /nfs/dbraw/zinc/81/19/45/534811945.db2.gz QTUYSMNZMNBUFD-UHFFFAOYSA-N 0 0 320.352 3.013 10 30 DGEERN N#Cc1ccnc(NC(=O)c2csc(-c3ccccc3F)n2)c1 ZINC000436012121 534824851 /nfs/dbraw/zinc/82/48/51/534824851.db2.gz GVUOBOHDYIRPGZ-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3cc(C#N)cn3C)c2)oc1C ZINC000176802057 534862438 /nfs/dbraw/zinc/86/24/38/534862438.db2.gz TXCLQTGWFZZFDT-UHFFFAOYSA-N 0 0 320.352 3.421 10 30 DGEERN Cc1ccc([C@H]2CN(Cc3ccc(F)cc3C#N)CCO2)o1 ZINC000158714387 526024779 /nfs/dbraw/zinc/02/47/79/526024779.db2.gz INRVOUFCECHGHL-QGZVFWFLSA-N 0 0 300.333 3.172 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cc(-n2cccc2)ccn1 ZINC000355820231 526321191 /nfs/dbraw/zinc/32/11/91/526321191.db2.gz QDSBUVOSKURDJE-UHFFFAOYSA-N 0 0 321.380 3.336 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC1(OC)CCC1 ZINC000359429133 526346144 /nfs/dbraw/zinc/34/61/44/526346144.db2.gz ADFAMTMXKDVTKB-UHFFFAOYSA-N 0 0 318.373 3.069 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCS1 ZINC000439127583 526348751 /nfs/dbraw/zinc/34/87/51/526348751.db2.gz BDBRFNABYHAKRS-AWEZNQCLSA-N 0 0 306.387 3.005 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCSC1 ZINC000353508985 526349529 /nfs/dbraw/zinc/34/95/29/526349529.db2.gz IAXGDGSHZPUTGQ-AWEZNQCLSA-N 0 0 320.414 3.253 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCCCc1ccccn1 ZINC000178412078 526370359 /nfs/dbraw/zinc/37/03/59/526370359.db2.gz FBODGZQIFANPKF-UHFFFAOYSA-N 0 0 315.442 3.474 10 30 DGEERN C=CCN(Cc1cnc2ccccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000158771671 526381706 /nfs/dbraw/zinc/38/17/06/526381706.db2.gz SKIKNTPVNFFRQG-UHFFFAOYSA-N 0 0 322.368 3.431 10 30 DGEERN C=CCN1C(=O)N(CC2(C)CCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431194916 526402689 /nfs/dbraw/zinc/40/26/89/526402689.db2.gz VVEHGEVIWGBKNO-INIZCTEOSA-N 0 0 312.413 3.238 10 30 DGEERN C=CCN1C(=O)c2ccc(-c3nc([C@@H](C)C4CC4)no3)cc2C1=O ZINC000357594900 526407643 /nfs/dbraw/zinc/40/76/43/526407643.db2.gz MCWYWCQKKIYWHR-JTQLQIEISA-N 0 0 323.352 3.032 10 30 DGEERN N#CCCn1c(CO)cnc1SCc1cccc(Cl)c1 ZINC000004720325 526464339 /nfs/dbraw/zinc/46/43/39/526464339.db2.gz JGSDIDLCWHKYJK-UHFFFAOYSA-N 0 0 307.806 3.235 10 30 DGEERN C=CCN1CC[C@@H](N(C)c2ccc3c(Cl)cccc3n2)C1=O ZINC000358663266 526474767 /nfs/dbraw/zinc/47/47/67/526474767.db2.gz KCIFCCZPEYLKAD-OAHLLOKOSA-N 0 0 315.804 3.111 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1n[nH]c(C)c1C ZINC000342495274 526572613 /nfs/dbraw/zinc/57/26/13/526572613.db2.gz RWHMWJQPBPLUOM-UHFFFAOYSA-N 0 0 315.421 3.022 10 30 DGEERN C=CCNC(=O)c1ccc(N(C)Cc2cc(C)ccc2C)nc1 ZINC000428654720 526640410 /nfs/dbraw/zinc/64/04/10/526640410.db2.gz CRZYEXNDYIDIKE-UHFFFAOYSA-N 0 0 309.413 3.251 10 30 DGEERN C=CCNC(=O)c1ccc(N2CC[C@](C)(c3ccccc3)C2)nc1 ZINC000446847624 526643513 /nfs/dbraw/zinc/64/35/13/526643513.db2.gz AYVSNYCPSNHESA-FQEVSTJZSA-N 0 0 321.424 3.165 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000135011212 526644418 /nfs/dbraw/zinc/64/44/18/526644418.db2.gz NFNWIJBCXYCPCL-OAHLLOKOSA-N 0 0 318.417 3.181 10 30 DGEERN C=CCNC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C ZINC000359017631 526656717 /nfs/dbraw/zinc/65/67/17/526656717.db2.gz CYRLHGRICVAQIK-UHFFFAOYSA-N 0 0 311.410 3.141 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000185529121 526663104 /nfs/dbraw/zinc/66/31/04/526663104.db2.gz CGRPDWLCIACUNG-UHFFFAOYSA-N 0 0 324.468 3.337 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C)Cc2cc[nH]n2)c1 ZINC000351888441 526667006 /nfs/dbraw/zinc/66/70/06/526667006.db2.gz ISXXYNCHPWHWON-UHFFFAOYSA-N 0 0 300.362 3.029 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCC[C@@H]2CCOC2)c1 ZINC000345302799 526668376 /nfs/dbraw/zinc/66/83/76/526668376.db2.gz RREBSQPQRBUORZ-CQSZACIVSA-N 0 0 304.390 3.190 10 30 DGEERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000440991508 526678396 /nfs/dbraw/zinc/67/83/96/526678396.db2.gz OOFGIUMVYPYTNI-CKUJCDMFSA-N 0 0 321.465 3.209 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000129009375 526678923 /nfs/dbraw/zinc/67/89/23/526678923.db2.gz MTNYUYRMCRQAJX-LLVKDONJSA-N 0 0 303.387 3.311 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000185885484 526696861 /nfs/dbraw/zinc/69/68/61/526696861.db2.gz VZQBLRMRISNBRC-RHSMWYFYSA-N 0 0 303.402 3.197 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000154982885 526697907 /nfs/dbraw/zinc/69/79/07/526697907.db2.gz YOWUPZIVFRNQJH-OAHLLOKOSA-N 0 0 314.385 3.065 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000185376288 526700264 /nfs/dbraw/zinc/70/02/64/526700264.db2.gz VJOUIPKAMXKIQX-CHWSQXEVSA-N 0 0 300.402 3.351 10 30 DGEERN C#CCCCCNC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000152136368 526702197 /nfs/dbraw/zinc/70/21/97/526702197.db2.gz NJOBVGINPJNTMK-OAHLLOKOSA-N 0 0 324.428 3.344 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 ZINC000185626992 526703510 /nfs/dbraw/zinc/70/35/10/526703510.db2.gz CHLYQODUDJVIJM-CYBMUJFWSA-N 0 0 324.446 3.379 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000185790788 526706041 /nfs/dbraw/zinc/70/60/41/526706041.db2.gz FGLJAXFELLGCGU-DOTOQJQBSA-N 0 0 309.450 3.165 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H](C)C1 ZINC000183996438 526707602 /nfs/dbraw/zinc/70/76/02/526707602.db2.gz YWGZOZJHBDCDQJ-ULQDDVLXSA-N 0 0 320.477 3.250 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000344904256 526709629 /nfs/dbraw/zinc/70/96/29/526709629.db2.gz RFTRDBVSOHYOAJ-RRFJBIMHSA-N 0 0 308.466 3.083 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000183798488 526710273 /nfs/dbraw/zinc/71/02/73/526710273.db2.gz BSHBYIHLWUZPIK-ZDUSSCGKSA-N 0 0 315.442 3.466 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(COC)cc(C(=O)OC)c1 ZINC000292181565 526713478 /nfs/dbraw/zinc/71/34/78/526713478.db2.gz VTHZFXBVSHLEFO-LBPRGKRZSA-N 0 0 305.374 3.160 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 ZINC000185626971 526714606 /nfs/dbraw/zinc/71/46/06/526714606.db2.gz CHLYQODUDJVIJM-ZDUSSCGKSA-N 0 0 324.446 3.379 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000185596510 526714949 /nfs/dbraw/zinc/71/49/49/526714949.db2.gz NNJJQELCTAJBQO-RCDICMHDSA-N 0 0 323.458 3.123 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@H](C)CC#N ZINC000358963177 526715820 /nfs/dbraw/zinc/71/58/20/526715820.db2.gz ZTKQLVCGTGJGBI-GFCCVEGCSA-N 0 0 313.405 3.469 10 30 DGEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C)CC1 ZINC000359245182 526718343 /nfs/dbraw/zinc/71/83/43/526718343.db2.gz RQUWZFHCNNWKLK-HNNXBMFYSA-N 0 0 313.449 3.486 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000359117483 526723065 /nfs/dbraw/zinc/72/30/65/526723065.db2.gz RRZUIVCLPKMJJI-UHFFFAOYSA-N 0 0 304.344 3.004 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000338850079 526725004 /nfs/dbraw/zinc/72/50/04/526725004.db2.gz NEYFDLFOPPHGSS-SFHVURJKSA-N 0 0 316.449 3.129 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000338850077 526725097 /nfs/dbraw/zinc/72/50/97/526725097.db2.gz NEYFDLFOPPHGSS-GOSISDBHSA-N 0 0 316.449 3.129 10 30 DGEERN C=CCOCC(=O)Nc1scc(C(C)C)c1C(=O)OCC ZINC000351615818 526728218 /nfs/dbraw/zinc/72/82/18/526728218.db2.gz OVSYPQBTGNXZGN-UHFFFAOYSA-N 0 0 311.403 3.189 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CCC[C@@H]1c1ccco1 ZINC000358806506 526730540 /nfs/dbraw/zinc/73/05/40/526730540.db2.gz NESKLSKVSVNVBX-CQSZACIVSA-N 0 0 316.405 3.325 10 30 DGEERN C=C(C)Cn1c(Cc2ccsc2)nnc1N(CC)C1CC1 ZINC000359220441 526732925 /nfs/dbraw/zinc/73/29/25/526732925.db2.gz GSJVBEJNGAXDDJ-UHFFFAOYSA-N 0 0 302.447 3.495 10 30 DGEERN C=CCOCCCC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000370113006 526734957 /nfs/dbraw/zinc/73/49/57/526734957.db2.gz QTYNSAMAHBGWTC-GOSISDBHSA-N 0 0 305.393 3.299 10 30 DGEERN C#CCCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000371697192 526735184 /nfs/dbraw/zinc/73/51/84/526735184.db2.gz TZCDLQZADGFQIU-CYBMUJFWSA-N 0 0 310.319 3.228 10 30 DGEERN C=C(C)[C@@H](Nc1nc(C(N)=O)cs1)c1ccc(F)c(F)c1 ZINC000432144267 526758054 /nfs/dbraw/zinc/75/80/54/526758054.db2.gz WVCVKLLTPYBENE-GFCCVEGCSA-N 0 0 309.341 3.250 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H]1CCc2cc(F)c(OC)cc21)OCC ZINC000338095011 526815620 /nfs/dbraw/zinc/81/56/20/526815620.db2.gz OCVNYPGKGWFJFH-HOTGVXAUSA-N 0 0 321.392 3.309 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cc(C)nc(C)n1)c1ccc(F)c(F)c1 ZINC000355677224 526819950 /nfs/dbraw/zinc/81/99/50/526819950.db2.gz WKZIGXHZAXGEBC-INIZCTEOSA-N 0 0 317.339 3.419 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)c(F)c1 ZINC000186032119 526820765 /nfs/dbraw/zinc/82/07/65/526820765.db2.gz IQJFRGDMRJWJGM-INIZCTEOSA-N 0 0 315.323 3.222 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC(C)=C[C@H](C)C2)cc1OC ZINC000435270470 526836616 /nfs/dbraw/zinc/83/66/16/526836616.db2.gz SAZRWLQRDKWAEP-ZDUSSCGKSA-N 0 0 301.386 3.298 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000347008668 526840407 /nfs/dbraw/zinc/84/04/07/526840407.db2.gz RQBHHTJPTVAOQY-QDIHITRGSA-N 0 0 309.450 3.068 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000128175271 526842379 /nfs/dbraw/zinc/84/23/79/526842379.db2.gz IZKPSMTZCANISU-LPHOPBHVSA-N 0 0 315.413 3.019 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1F ZINC000282619728 526842882 /nfs/dbraw/zinc/84/28/82/526842882.db2.gz CQYHQIOAWVVFLU-ZWNOBZJWSA-N 0 0 315.291 3.347 10 30 DGEERN C=C(Cl)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000157889251 526885066 /nfs/dbraw/zinc/88/50/66/526885066.db2.gz JEHMQZYHPNARKO-UHFFFAOYSA-N 0 0 304.821 3.040 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000081323988 526894479 /nfs/dbraw/zinc/89/44/79/526894479.db2.gz PYKVJLPXLNOHPS-MRXNPFEDSA-N 0 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/nfs/dbraw/zinc/05/83/69/527058369.db2.gz ZKOAEKVYDHAFRW-CYBMUJFWSA-N 0 0 320.383 3.406 10 30 DGEERN C=CCC1(C(=O)Nc2nc3c(cccc3F)n2C)CCOCC1 ZINC000425188781 527062568 /nfs/dbraw/zinc/06/25/68/527062568.db2.gz JYHMCHZZANWNHS-UHFFFAOYSA-N 0 0 317.364 3.024 10 30 DGEERN C=CCC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOCC1 ZINC000424221304 527064793 /nfs/dbraw/zinc/06/47/93/527064793.db2.gz KKNGFOMVHOCYJE-UHFFFAOYSA-N 0 0 315.329 3.269 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000185818051 527087968 /nfs/dbraw/zinc/08/79/68/527087968.db2.gz BMNRTXHSQPAYCC-FZMZJTMJSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000185655444 527096055 /nfs/dbraw/zinc/09/60/55/527096055.db2.gz IRJOOYQYHSAGOX-NSHDSACASA-N 0 0 312.797 3.186 10 30 DGEERN C=CCCCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185558903 527110843 /nfs/dbraw/zinc/11/08/43/527110843.db2.gz UVMVDWAYLVONST-KRWDZBQOSA-N 0 0 318.392 3.092 10 30 DGEERN C=CC[C@@H]1N(C(=O)N[C@H](C)c2csnn2)CCCC1(C)C ZINC000413806199 527116544 /nfs/dbraw/zinc/11/65/44/527116544.db2.gz BNQZPTPEKWMVLN-YPMHNXCESA-N 0 0 308.451 3.375 10 30 DGEERN C=CC[C@H](C)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000337490495 527126757 /nfs/dbraw/zinc/12/67/57/527126757.db2.gz DTOSWCNKFRTYKC-QMMMGPOBSA-N 0 0 318.161 3.351 10 30 DGEERN C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000188059194 527132281 /nfs/dbraw/zinc/13/22/81/527132281.db2.gz RDJCPQLYNODKHK-INIZCTEOSA-N 0 0 324.384 3.181 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434962960 527133939 /nfs/dbraw/zinc/13/39/39/527133939.db2.gz OLSXKORTWKMTQF-JTQLQIEISA-N 0 0 308.378 3.107 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000337103399 527145102 /nfs/dbraw/zinc/14/51/02/527145102.db2.gz XYRZGDHYHBUFQZ-LBPRGKRZSA-N 0 0 310.191 3.103 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000374260847 527147742 /nfs/dbraw/zinc/14/77/42/527147742.db2.gz XXXHZQLSNUMOMP-HNNXBMFYSA-N 0 0 302.422 3.029 10 30 DGEERN C=CCCCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344597410 527162402 /nfs/dbraw/zinc/16/24/02/527162402.db2.gz ITSXTZGBBZHRGI-UHFFFAOYSA-N 0 0 315.373 3.432 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000446310173 527170026 /nfs/dbraw/zinc/17/00/26/527170026.db2.gz BOVWYRGLOUXXNB-CQSZACIVSA-N 0 0 322.364 3.475 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000292072033 527173622 /nfs/dbraw/zinc/17/36/22/527173622.db2.gz OTLJTWAQVNUPQD-MRXNPFEDSA-N 0 0 322.412 3.054 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](OC)c1ccccc1 ZINC000287164278 527174098 /nfs/dbraw/zinc/17/40/98/527174098.db2.gz GRZPLKWVENQTET-RTBURBONSA-N 0 0 307.393 3.125 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)cc1SC ZINC000411266227 527180785 /nfs/dbraw/zinc/18/07/85/527180785.db2.gz ZMPJPGIMFAYDDH-UHFFFAOYSA-N 0 0 306.431 3.080 10 30 DGEERN C=CCCCN(C)C(=O)CN(C)c1nc2ccccc2s1 ZINC000347147796 527181104 /nfs/dbraw/zinc/18/11/04/527181104.db2.gz SOSUNNXUTKSYSL-UHFFFAOYSA-N 0 0 303.431 3.157 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000434286862 527186203 /nfs/dbraw/zinc/18/62/03/527186203.db2.gz ICHKGVKCETYZJR-CQSZACIVSA-N 0 0 312.479 3.039 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000188479770 527188748 /nfs/dbraw/zinc/18/87/48/527188748.db2.gz BRVYTBCCOSFCPR-ZBFHGGJFSA-N 0 0 303.402 3.232 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000076650242 527190468 /nfs/dbraw/zinc/19/04/68/527190468.db2.gz RLPFSPFBABEZPY-UHFFFAOYSA-N 0 0 304.415 3.159 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCOc1cccc2ccccc21 ZINC000185854970 527192657 /nfs/dbraw/zinc/19/26/57/527192657.db2.gz LMSWTEVYHFCSSN-MRXNPFEDSA-N 0 0 313.397 3.052 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000433876658 527193925 /nfs/dbraw/zinc/19/39/25/527193925.db2.gz GHVJUDKPRSRXJG-UHFFFAOYSA-N 0 0 317.838 3.244 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000340851719 527194567 /nfs/dbraw/zinc/19/45/67/527194567.db2.gz XZLORUIUWYOMJQ-UHFFFAOYSA-N 0 0 306.431 3.073 10 30 DGEERN C=CCCCN(C)c1nnc([C@H]2Cc3ccccc3O2)n1CC ZINC000338531625 527195862 /nfs/dbraw/zinc/19/58/62/527195862.db2.gz ZBZNMLATCXCEAH-MRXNPFEDSA-N 0 0 312.417 3.377 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C ZINC000337851202 527195989 /nfs/dbraw/zinc/19/59/89/527195989.db2.gz JKPQXBAVLMEULD-UHFFFAOYSA-N 0 0 322.416 3.275 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000346316628 527196670 /nfs/dbraw/zinc/19/66/70/527196670.db2.gz BESRKYFUQWJPEQ-LSDHHAIUSA-N 0 0 316.445 3.078 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000347750001 527199255 /nfs/dbraw/zinc/19/92/55/527199255.db2.gz JMAUMMYOEIPBCI-WDEREUQCSA-N 0 0 316.323 3.003 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000347691960 527199948 /nfs/dbraw/zinc/19/99/48/527199948.db2.gz VDPAJADYDWKAGL-HZPDHXFCSA-N 0 0 304.434 3.400 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000359978307 527201631 /nfs/dbraw/zinc/20/16/31/527201631.db2.gz 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/nfs/dbraw/zinc/22/55/26/527225526.db2.gz BNQZPTPEKWMVLN-DGCLKSJQSA-N 0 0 308.451 3.375 10 30 DGEERN C=CCc1cc(C(=O)Nc2onc(C)c2C)cc(OC)c1OC ZINC000359736040 527234357 /nfs/dbraw/zinc/23/43/57/527234357.db2.gz BSSUMWZYWRODIG-UHFFFAOYSA-N 0 0 316.357 3.289 10 30 DGEERN C=CCc1ccc(OCC(=O)N2C[C@H](C)CC[C@H]2C)c(OC)c1 ZINC000362514647 527249259 /nfs/dbraw/zinc/24/92/59/527249259.db2.gz YWQSMGCLNFLYNA-HUUCEWRRSA-N 0 0 317.429 3.450 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000342789229 527268289 /nfs/dbraw/zinc/26/82/89/527268289.db2.gz PFKOGAJDTQZPHJ-ZIAGYGMSSA-N 0 0 319.453 3.110 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000352237617 527276455 /nfs/dbraw/zinc/27/64/55/527276455.db2.gz KENUJYDPVDFDDX-JKSUJKDBSA-N 0 0 316.445 3.375 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccc(C#N)c1 ZINC000337876043 527279075 /nfs/dbraw/zinc/27/90/75/527279075.db2.gz YUMQEIKYUXBSIV-UHFFFAOYSA-N 0 0 319.368 3.232 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H]1CSC ZINC000350707670 527279927 /nfs/dbraw/zinc/27/99/27/527279927.db2.gz ISSWTKDYRBDUJP-CYBMUJFWSA-N 0 0 304.419 3.056 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCSC(C)(C)C1 ZINC000337853654 527280241 /nfs/dbraw/zinc/28/02/41/527280241.db2.gz KIDPDCDXQLLFBJ-UHFFFAOYSA-N 0 0 304.419 3.056 10 30 DGEERN CC(=O)c1ccc(NC(=O)NC[C@H]2CCCCO2)cc1Cl ZINC000330794757 527287441 /nfs/dbraw/zinc/28/74/41/527287441.db2.gz FWNOFSOTHYDTFH-GFCCVEGCSA-N 0 0 310.781 3.438 10 30 DGEERN C=CCCC[C@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 ZINC000360544013 527298114 /nfs/dbraw/zinc/29/81/14/527298114.db2.gz ISDPPFPUNHAMRQ-ZDUSSCGKSA-N 0 0 322.478 3.287 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000351075361 527306171 /nfs/dbraw/zinc/30/61/71/527306171.db2.gz OUYOXBZIEHQHOX-UHFFFAOYSA-N 0 0 316.355 3.182 10 30 DGEERN C=CCCN(C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000344271852 527309071 /nfs/dbraw/zinc/30/90/71/527309071.db2.gz BDFCJUSFUKCGLY-UHFFFAOYSA-N 0 0 311.307 3.090 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000350623396 527311222 /nfs/dbraw/zinc/31/12/22/527311222.db2.gz OLFLDAXMGICPFR-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N(CCC)C[C@@H]1CCCCO1 ZINC000351119121 527312714 /nfs/dbraw/zinc/31/27/14/527312714.db2.gz SYRLVUAQVUWZHH-INIZCTEOSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H]1CSC ZINC000351173336 527315474 /nfs/dbraw/zinc/31/54/74/527315474.db2.gz WOFQIEUWVFYMRF-AWEZNQCLSA-N 0 0 308.495 3.385 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@](C)(OC)C1 ZINC000337804035 527316146 /nfs/dbraw/zinc/31/61/46/527316146.db2.gz GOUMSNQZPWVBCG-QGZVFWFLSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC000337871813 527316659 /nfs/dbraw/zinc/31/66/59/527316659.db2.gz VRJYTUKSEUDFJN-AWEZNQCLSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@](C)(CC)C1 ZINC000337853046 527321187 /nfs/dbraw/zinc/32/11/87/527321187.db2.gz KAZDEMVHADUSEZ-SFHVURJKSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCCN(C)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000433373710 527322700 /nfs/dbraw/zinc/32/27/00/527322700.db2.gz SRRRUVVGPYIBEB-UHFFFAOYSA-N 0 0 311.447 3.324 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N(C)c1ccccc1 ZINC000350723514 527326959 /nfs/dbraw/zinc/32/69/59/527326959.db2.gz XUMZEYZBEVVKTC-UHFFFAOYSA-N 0 0 305.385 3.218 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000358554020 527333519 /nfs/dbraw/zinc/33/35/19/527333519.db2.gz BCBBGOFFJXAPBD-DZGCQCFKSA-N 0 0 301.377 3.253 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C)CC1 ZINC000337901348 527360569 /nfs/dbraw/zinc/36/05/69/527360569.db2.gz JDRJMOBIZIWMIU-QGZVFWFLSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416040690 527374305 /nfs/dbraw/zinc/37/43/05/527374305.db2.gz BZRRBNNIVRWDCH-BBRMVZONSA-N 0 0 323.383 3.480 10 30 DGEERN CC(C)C(=O)NC1CCN(Cc2nc3cccnc3s2)CC1 ZINC000328882397 527383561 /nfs/dbraw/zinc/38/35/61/527383561.db2.gz MSPIOXZECRCMFJ-UHFFFAOYSA-N 0 0 318.446 3.268 10 30 DGEERN C=CCn1nnnc1SCc1nc(-c2ccsc2)oc1C ZINC000338844583 527391279 /nfs/dbraw/zinc/39/12/79/527391279.db2.gz PEKVAQNAIKYGTP-UHFFFAOYSA-N 0 0 319.415 3.176 10 30 DGEERN C#C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000288266257 527396090 /nfs/dbraw/zinc/39/60/90/527396090.db2.gz HUAOXDLDYSZVFQ-FZMZJTMJSA-N 0 0 303.362 3.003 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000129558959 527415573 /nfs/dbraw/zinc/41/55/73/527415573.db2.gz DZQFWZKGEJSLBM-JTQLQIEISA-N 0 0 318.236 3.006 10 30 DGEERN C=C[C@@H](CC(=O)N(CCO)Cc1ccc(C)o1)c1ccccc1 ZINC000358254337 527418409 /nfs/dbraw/zinc/41/84/09/527418409.db2.gz YUDVBYAMCHKVOE-INIZCTEOSA-N 0 0 313.397 3.269 10 30 DGEERN C=C[C@@H](CC(=O)N1CC=C(c2ccnn2C)CC1)c1ccccc1 ZINC000289063744 527419164 /nfs/dbraw/zinc/41/91/64/527419164.db2.gz ODCWUYWRUYDZIK-INIZCTEOSA-N 0 0 321.424 3.396 10 30 DGEERN C=CCCSCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000339091909 527421072 /nfs/dbraw/zinc/42/10/72/527421072.db2.gz OSUFFNJYORHMKW-UHFFFAOYSA-N 0 0 304.415 3.060 10 30 DGEERN C=C[C@@H](CC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000131698778 527422168 /nfs/dbraw/zinc/42/21/68/527422168.db2.gz SYRNXTKIWSLOHQ-LPHOPBHVSA-N 0 0 322.408 3.421 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H](CO)c1ccsc1)c1ccccc1 ZINC000356253565 527423672 /nfs/dbraw/zinc/42/36/72/527423672.db2.gz LDOXJOSUZTUXBU-XJKSGUPXSA-N 0 0 301.411 3.258 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)c1ccccc1 ZINC000130968885 527438878 /nfs/dbraw/zinc/43/88/78/527438878.db2.gz NJMRIQHPLHSXGR-MAUKXSAKSA-N 0 0 316.445 3.496 10 30 DGEERN C=CCC[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 ZINC000178824483 527479902 /nfs/dbraw/zinc/47/99/02/527479902.db2.gz BGYAEYQHIAMORU-INIZCTEOSA-N 0 0 311.385 3.214 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000357473904 527486929 /nfs/dbraw/zinc/48/69/29/527486929.db2.gz WKDOUZWUTYQEDB-INIZCTEOSA-N 0 0 318.442 3.307 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000425445228 527495470 /nfs/dbraw/zinc/49/54/70/527495470.db2.gz MKEDUBRVLDQSNK-YCPHGPKFSA-N 0 0 320.458 3.058 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)ccc1C ZINC000424932322 527497071 /nfs/dbraw/zinc/49/70/71/527497071.db2.gz MVZLGRFLIHLBQJ-FZMZJTMJSA-N 0 0 324.218 3.078 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000417092511 527509991 /nfs/dbraw/zinc/50/99/91/527509991.db2.gz FTVCVYIBGJSEFE-ZBFHGGJFSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCN(C(=O)CCCCC)c1nc(C(=O)OCC)cs1 ZINC000337036319 527533747 /nfs/dbraw/zinc/53/37/47/527533747.db2.gz GOCGKOOTXUKJIK-UHFFFAOYSA-N 0 0 310.419 3.419 10 30 DGEERN C=CCN(C(=O)C[C@@H]1C=CCC1)c1nc(C(=O)OCC)cs1 ZINC000337070241 527535990 /nfs/dbraw/zinc/53/59/90/527535990.db2.gz WRGYSTIJQYOOSL-GFCCVEGCSA-N 0 0 320.414 3.195 10 30 DGEERN C=CCN(C(=O)C[C@H](C)CC)c1nc(C(=O)OCC)cs1 ZINC000362464868 527537544 /nfs/dbraw/zinc/53/75/44/527537544.db2.gz LWCDSOQCPLCGGQ-LLVKDONJSA-N 0 0 310.419 3.275 10 30 DGEERN C=CCN(C(=O)NCc1ccccc1-n1ccc(C)n1)C1CC1 ZINC000357886042 527538300 /nfs/dbraw/zinc/53/83/00/527538300.db2.gz TYCXPOCETZXOMP-UHFFFAOYSA-N 0 0 310.401 3.041 10 30 DGEERN C=CCN(C(=O)Nc1cc(OC)c(OC)c(C)c1OC)C1CC1 ZINC000434954040 527540387 /nfs/dbraw/zinc/54/03/87/527540387.db2.gz FSYQNVBXASLQPZ-UHFFFAOYSA-N 0 0 320.389 3.203 10 30 DGEERN C=C[C@H](CC(=O)N1CC(CO)(c2ccccc2)C1)c1ccccc1 ZINC000412768438 527572830 /nfs/dbraw/zinc/57/28/30/527572830.db2.gz BJAIAEQLGXNPRU-QGZVFWFLSA-N 0 0 321.420 3.119 10 30 DGEERN C=CCN(C)c1nnc([C@H]2Cc3ccccc3O2)n1CC(C)C ZINC000338990561 527579308 /nfs/dbraw/zinc/57/93/08/527579308.db2.gz VEYZMGXOLPUQGO-MRXNPFEDSA-N 0 0 312.417 3.233 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433316178 527586425 /nfs/dbraw/zinc/58/64/25/527586425.db2.gz FCDOMXKNJJWXQR-CQSZACIVSA-N 0 0 310.319 3.336 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC000292622004 527586450 /nfs/dbraw/zinc/58/64/50/527586450.db2.gz GCSFDURZVKPZQW-JTQLQIEISA-N 0 0 315.291 3.096 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000413284173 527587273 /nfs/dbraw/zinc/58/72/73/527587273.db2.gz OPKYSTITVOBNHS-GXTWGEPZSA-N 0 0 301.283 3.448 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000433237347 527587387 /nfs/dbraw/zinc/58/73/87/527587387.db2.gz WASMCGQEHKEARR-GFCCVEGCSA-N 0 0 313.319 3.302 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC000341441376 527587953 /nfs/dbraw/zinc/58/79/53/527587953.db2.gz NIQJXGWPARUKQF-UHFFFAOYSA-N 0 0 324.302 3.439 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC000349290234 527588270 /nfs/dbraw/zinc/58/82/70/527588270.db2.gz UAPVBEPLTGBCKR-JTQLQIEISA-N 0 0 303.328 3.353 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)NCc1noc(C2CC2)n1 ZINC000343973844 527595398 /nfs/dbraw/zinc/59/53/98/527595398.db2.gz HEOYJRYJPAHXQH-UHFFFAOYSA-N 0 0 318.421 3.225 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000351726395 527640546 /nfs/dbraw/zinc/64/05/46/527640546.db2.gz DSUNBICESRGWHC-INIZCTEOSA-N 0 0 318.398 3.084 10 30 DGEERN C=CCN(CCC#N)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430103350 527659684 /nfs/dbraw/zinc/65/96/84/527659684.db2.gz POEWLWBFDCVQND-UHFFFAOYSA-N 0 0 308.385 3.054 10 30 DGEERN CCO[C@@H](CCNC(=O)NCC1CCC(C#N)CC1)C(C)C ZINC000440995969 527723944 /nfs/dbraw/zinc/72/39/44/527723944.db2.gz FOFGUVNDPKECDG-GPANFISMSA-N 0 0 309.454 3.067 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C)n2)C12CCCC2 ZINC000330122817 527802268 /nfs/dbraw/zinc/80/22/68/527802268.db2.gz KNCGZOHDDOABRA-ZIAGYGMSSA-N 0 0 318.421 3.000 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000328940272 527806868 /nfs/dbraw/zinc/80/68/68/527806868.db2.gz SJUPLLUBEVKQBB-BNOWGMLFSA-N 0 0 316.405 3.200 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cnc2n[nH]nc2c1 ZINC000329125730 527808966 /nfs/dbraw/zinc/80/89/66/527808966.db2.gz TVBZTCCZJGWMKD-RAIGVLPGSA-N 0 0 301.394 3.118 10 30 DGEERN CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000328740185 527830325 /nfs/dbraw/zinc/83/03/25/527830325.db2.gz LPQABMQOPVYURD-YPMHNXCESA-N 0 0 301.394 3.176 10 30 DGEERN CCC[C@@H]1C[C@H]1NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000330240913 527851260 /nfs/dbraw/zinc/85/12/60/527851260.db2.gz BQCCXYHXHBWYNM-HZSPNIEDSA-N 0 0 312.479 3.123 10 30 DGEERN CCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130427500 528118273 /nfs/dbraw/zinc/11/82/73/528118273.db2.gz RYUBQXYUWWOUFJ-RDJZCZTQSA-N 0 0 320.477 3.349 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183105471 528118346 /nfs/dbraw/zinc/11/83/46/528118346.db2.gz DDDWOQULTCCPBD-MRXNPFEDSA-N 0 0 317.433 3.054 10 30 DGEERN CCCCCCCCC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000155185540 528122369 /nfs/dbraw/zinc/12/23/69/528122369.db2.gz HWNMNNZAWDKSIK-CQSZACIVSA-N 0 0 322.453 3.126 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc(CC#N)c2)no1 ZINC000173593956 528308883 /nfs/dbraw/zinc/30/88/83/528308883.db2.gz PNFDPTFUEGRASB-HNNXBMFYSA-N 0 0 324.384 3.236 10 30 DGEERN CC(C)n1ncc2ccc(NC(=O)c3cc(C#N)cn3C)cc21 ZINC000176961967 528669608 /nfs/dbraw/zinc/66/96/08/528669608.db2.gz XCNZZKUEOUQCMD-UHFFFAOYSA-N 0 0 307.357 3.080 10 30 DGEERN CC(C)Cc1ncc(NC(=O)NCC2CCC(C#N)CC2)cn1 ZINC000441739147 528672310 /nfs/dbraw/zinc/67/23/10/528672310.db2.gz IWMKQCSKELXKPK-UHFFFAOYSA-N 0 0 315.421 3.127 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134286598 528746579 /nfs/dbraw/zinc/74/65/79/528746579.db2.gz BGSCPXIHMKJTLA-CQSZACIVSA-N 0 0 302.422 3.008 10 30 DGEERN CCCC[C@@H](C)N(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000359710252 528760404 /nfs/dbraw/zinc/76/04/04/528760404.db2.gz WZTIVRLTDODZHB-DYVFJYSZSA-N 0 0 310.438 3.285 10 30 DGEERN CCCC[C@@H](COC)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180927858 528830985 /nfs/dbraw/zinc/83/09/85/528830985.db2.gz WMSHZQRDDWAFIZ-INIZCTEOSA-N 0 0 300.402 3.177 10 30 DGEERN CCCn1nccc1NC(=O)NC1(c2nc(C)cs2)CCC1 ZINC000330122115 528886219 /nfs/dbraw/zinc/88/62/19/528886219.db2.gz KEYSTXQBRLYWNI-UHFFFAOYSA-N 0 0 319.434 3.463 10 30 DGEERN CCC1(CNC(=O)N2CCc3cncnc3C2)CCCCC1 ZINC000329701280 529031417 /nfs/dbraw/zinc/03/14/17/529031417.db2.gz HHZOKEMENXACDB-UHFFFAOYSA-N 0 0 302.422 3.109 10 30 DGEERN CCOCc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302668649 529072445 /nfs/dbraw/zinc/07/24/45/529072445.db2.gz CVYPOZUGWOKQFJ-UHFFFAOYSA-N 0 0 312.329 3.010 10 30 DGEERN CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000186608690 529337177 /nfs/dbraw/zinc/33/71/77/529337177.db2.gz OZSHFETXYBMRGB-HZMBPMFUSA-N 0 0 312.822 3.021 10 30 DGEERN CC(C)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000474415259 535182096 /nfs/dbraw/zinc/18/20/96/535182096.db2.gz SJCGNERCAJQUOT-KBXCAEBGSA-N 0 0 322.449 3.143 10 30 DGEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000121604214 545897519 /nfs/dbraw/zinc/89/75/19/545897519.db2.gz XJPIMKVNDDXTTR-CQSZACIVSA-N 0 0 306.406 3.038 10 30 DGEERN Clc1ccc(C#CCN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152205866 546000816 /nfs/dbraw/zinc/00/08/16/546000816.db2.gz LMLANDARUHSDPV-SFHVURJKSA-N 0 0 312.800 3.240 10 30 DGEERN C=CCNC(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539955 546136695 /nfs/dbraw/zinc/13/66/95/546136695.db2.gz MEOBHTXVKHAPML-QMMMGPOBSA-N 0 0 305.180 3.085 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000182637774 546167691 /nfs/dbraw/zinc/16/76/91/546167691.db2.gz HXAUSLCBKTVHDL-ZIAGYGMSSA-N 0 0 303.406 3.058 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000182805848 546168631 /nfs/dbraw/zinc/16/86/31/546168631.db2.gz QRTBOALTTBUJTR-MWLCHTKSSA-N 0 0 317.216 3.291 10 30 DGEERN Cc1cn2c(n1)[C@@H](CNC(=O)N(CC1CC1)CC1CC1)CCC2 ZINC000328642315 546480918 /nfs/dbraw/zinc/48/09/18/546480918.db2.gz DRMOBRCWIZCJKP-MRXNPFEDSA-N 0 0 316.449 3.105 10 30 DGEERN CCn1cc(C2CCN(C(=O)NCC3CCCC3)CC2)cn1 ZINC000329454500 546486160 /nfs/dbraw/zinc/48/61/60/546486160.db2.gz PMNXGIBUGIWKHC-UHFFFAOYSA-N 0 0 304.438 3.187 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc2c(c1)COC2 ZINC000329613154 546488800 /nfs/dbraw/zinc/48/88/00/546488800.db2.gz DUIJGIPILZQOEF-NSHDSACASA-N 0 0 313.401 3.003 10 30 DGEERN Cc1nnccc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000330155231 546495132 /nfs/dbraw/zinc/49/51/32/546495132.db2.gz NXWRIZGWFNKAJJ-NXEZZACHSA-N 0 0 302.300 3.232 10 30 DGEERN C[C@@]12CN(C(=O)c3ncc(C#N)cc3Cl)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333521230 546507551 /nfs/dbraw/zinc/50/75/51/546507551.db2.gz NXRNCLCTPYYIFP-ZHRONYKTSA-N 0 0 315.804 3.115 10 30 DGEERN C[C@@]12CN(c3c(C#N)nnc4ccccc43)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333646680 546509843 /nfs/dbraw/zinc/50/98/43/546509843.db2.gz DFXBFFRWLAQBOY-IZSNYMMISA-N 0 0 304.397 3.374 10 30 DGEERN C=C(C)[C@H](CC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C)OCC ZINC000339203149 546535239 /nfs/dbraw/zinc/53/52/39/546535239.db2.gz FVSDRJSFVFLQSI-RYQLBKOJSA-N 0 0 317.429 3.346 10 30 DGEERN C=CCC1(c2nc(-c3ccc4[nH]ccc4n3)no2)CCOCC1 ZINC000351444306 546639558 /nfs/dbraw/zinc/63/95/58/546639558.db2.gz MTSJTVHFDSTVAK-UHFFFAOYSA-N 0 0 310.357 3.237 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000355889844 546686549 /nfs/dbraw/zinc/68/65/49/546686549.db2.gz KFWKSBGHSNKEHI-NSHDSACASA-N 0 0 308.325 3.329 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCCCC[C@@H]2CCO)cc1 ZINC000356738671 546693251 /nfs/dbraw/zinc/69/32/51/546693251.db2.gz QTSONRQSXQITSO-MRXNPFEDSA-N 0 0 303.402 3.019 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000584665459 547024050 /nfs/dbraw/zinc/02/40/50/547024050.db2.gz NIQIHLCPYBKWLG-INIZCTEOSA-N 0 0 316.445 3.111 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)C(=O)c1cc(F)ccc1F ZINC000730302424 574525024 /nfs/dbraw/zinc/52/50/24/574525024.db2.gz ABCDRCJFWXJXQZ-GHMZBOCLSA-N 0 0 312.312 3.060 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cccc(COC)c2)c1 ZINC000730403452 574528765 /nfs/dbraw/zinc/52/87/65/574528765.db2.gz KJPLOCXJFHIIRD-UHFFFAOYSA-N 0 0 310.349 3.202 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)CC[C@@H]2CCCO2)cc1 ZINC000730428456 574529048 /nfs/dbraw/zinc/52/90/48/574529048.db2.gz DORBALSPJJDZQQ-HOCLYGCPSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)CCc2nccs2)cc1 ZINC000730431308 574529101 /nfs/dbraw/zinc/52/91/01/574529101.db2.gz WLKXDWQZPKWWIW-CYBMUJFWSA-N 0 0 315.394 3.392 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(COC)o1 ZINC000730423983 574529272 /nfs/dbraw/zinc/52/92/72/574529272.db2.gz KPKFHPMJLKAQLN-ZDUSSCGKSA-N 0 0 314.337 3.356 10 30 DGEERN C#Cc1cccc(NC(=S)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000741493140 574557881 /nfs/dbraw/zinc/55/78/81/574557881.db2.gz ROMUXSIQEMGIOC-WMLDXEAASA-N 0 0 315.486 3.027 10 30 DGEERN C=CCOc1ccccc1CNC(=S)NCc1ccccc1 ZINC000731946920 574563529 /nfs/dbraw/zinc/56/35/29/574563529.db2.gz XJCGGADKVFSXNY-UHFFFAOYSA-N 0 0 312.438 3.416 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H](C)Cc1ccccc1 ZINC000732580608 574576251 /nfs/dbraw/zinc/57/62/51/574576251.db2.gz DNEIFUFTIQMRAQ-CVEARBPZSA-N 0 0 317.429 3.222 10 30 DGEERN CCc1oc2ccccc2c1C=NOCC(=O)N(C)CC1CC1 ZINC000733191658 574607258 /nfs/dbraw/zinc/60/72/58/574607258.db2.gz ADGHEJBAHOHTND-UHFFFAOYSA-N 0 0 314.385 3.214 10 30 DGEERN C#CCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000733246407 574609755 /nfs/dbraw/zinc/60/97/55/574609755.db2.gz FISKLKKDISCKKH-UHFFFAOYSA-N 0 0 324.355 3.140 10 30 DGEERN C#CCCNC(=O)c1ccccc1CSc1nc(C)cs1 ZINC000733247430 574610171 /nfs/dbraw/zinc/61/01/71/574610171.db2.gz IDIUJGWYCSSXSS-UHFFFAOYSA-N 0 0 316.451 3.497 10 30 DGEERN C#CCCNC(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000733344100 574617165 /nfs/dbraw/zinc/61/71/65/574617165.db2.gz VKCNREPTPWMMDB-AWEZNQCLSA-N 0 0 302.418 3.074 10 30 DGEERN C#CCCNC(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000733348461 574617416 /nfs/dbraw/zinc/61/74/16/574617416.db2.gz NVEJULGTYBRVBW-UHFFFAOYSA-N 0 0 312.344 3.441 10 30 DGEERN C#CCCNC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000733355891 574617583 /nfs/dbraw/zinc/61/75/83/574617583.db2.gz KYSVERNRORILRW-UHFFFAOYSA-N 0 0 305.428 3.003 10 30 DGEERN C#CC[C@H](OC(=O)CCc1csc(C)n1)c1ccccn1 ZINC000733691617 574634066 /nfs/dbraw/zinc/63/40/66/574634066.db2.gz ZWYWJTCRVNHMEH-HNNXBMFYSA-N 0 0 300.383 3.087 10 30 DGEERN C#CCCNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000733935320 574643786 /nfs/dbraw/zinc/64/37/86/574643786.db2.gz FTXOBZGGNKFKGR-UHFFFAOYSA-N 0 0 300.745 3.280 10 30 DGEERN C=C(COC(=O)c1nc(-c2ccccc2)cs1)C(=O)OCC ZINC000734026400 574647424 /nfs/dbraw/zinc/64/74/24/574647424.db2.gz DKYHEJBAIZFKPE-UHFFFAOYSA-N 0 0 317.366 3.086 10 30 DGEERN C=C(COC(=O)c1cc2ccccc2c(Cl)n1)C(=O)OCC ZINC000734027258 574647591 /nfs/dbraw/zinc/64/75/91/574647591.db2.gz PIGODWNMCIXSCX-UHFFFAOYSA-N 0 0 319.744 3.164 10 30 DGEERN C=C(COC(=O)C[C@H](c1ccccc1)C(C)C)C(=O)OCC ZINC000734030901 574647813 /nfs/dbraw/zinc/64/78/13/574647813.db2.gz JPUKZZKFDRIEHL-INIZCTEOSA-N 0 0 304.386 3.479 10 30 DGEERN C=C(COC(=O)[C@@H](C)Oc1cccc(C(C)C)c1)C(=O)OCC ZINC000734029722 574647864 /nfs/dbraw/zinc/64/78/64/574647864.db2.gz QJSSGQIBONLPJO-CQSZACIVSA-N 0 0 320.385 3.240 10 30 DGEERN C=C(COC(=O)Cc1coc2c1ccc(C)c2C)C(=O)OCC ZINC000734023488 574648389 /nfs/dbraw/zinc/64/83/89/574648389.db2.gz SXNRQLLMLKGTFU-UHFFFAOYSA-N 0 0 316.353 3.255 10 30 DGEERN C=CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccncc1 ZINC000734237311 574654862 /nfs/dbraw/zinc/65/48/62/574654862.db2.gz NMCAYVCBXPVSME-WMLDXEAASA-N 0 0 321.380 3.154 10 30 DGEERN C=CC[C@H](NS(=O)(=O)c1ccc(CC)s1)c1ccncc1 ZINC000734504643 574665095 /nfs/dbraw/zinc/66/50/95/574665095.db2.gz SVRWPRMJJGADIJ-AWEZNQCLSA-N 0 0 322.455 3.301 10 30 DGEERN C=CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccncc1 ZINC000734503234 574665225 /nfs/dbraw/zinc/66/52/25/574665225.db2.gz IGSPWKRRTZIQEP-HNNXBMFYSA-N 0 0 320.389 3.125 10 30 DGEERN C=C(Br)CNC(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000734524012 574666498 /nfs/dbraw/zinc/66/64/98/574666498.db2.gz GNTVWMFBUFWBCW-CMPLNLGQSA-N 0 0 303.244 3.411 10 30 DGEERN C#CCCNC(=O)[C@H](CC)Cc1cccc(Br)c1 ZINC000735249141 574694687 /nfs/dbraw/zinc/69/46/87/574694687.db2.gz NIVVZSBBUVUMHC-CYBMUJFWSA-N 0 0 308.219 3.157 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)CSC(F)F ZINC000735339555 574698882 /nfs/dbraw/zinc/69/88/82/574698882.db2.gz SMZSHRBTPJTGLT-UHFFFAOYSA-N 0 0 321.732 3.241 10 30 DGEERN CC(=O)N(C)c1ccccc1NC(=O)/C=C/c1ccccc1C#N ZINC000735639163 574709965 /nfs/dbraw/zinc/70/99/65/574709965.db2.gz AJMDOPFZZDVEAS-VAWYXSNFSA-N 0 0 319.364 3.193 10 30 DGEERN Cc1nn(-c2ccccc2)c(C)c1C(C)N=Nc1cccnn1 ZINC000735973949 574725112 /nfs/dbraw/zinc/72/51/12/574725112.db2.gz ZFGHMWGDMYXSCU-UHFFFAOYSA-N 0 0 306.373 3.115 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000736577823 574759517 /nfs/dbraw/zinc/75/95/17/574759517.db2.gz NLUZAMVOVVWUSD-CQSZACIVSA-N 0 0 310.438 3.201 10 30 DGEERN N#Cc1ccsc1C(=O)OCC(=O)c1ccc(F)c(Cl)c1 ZINC000736807589 574806913 /nfs/dbraw/zinc/80/69/13/574806913.db2.gz KQENIUQUAUEBDZ-UHFFFAOYSA-N 0 0 323.732 3.452 10 30 DGEERN CC(=NNc1ccc(Br)cn1)c1cncc(F)c1 ZINC000737432885 574843088 /nfs/dbraw/zinc/84/30/88/574843088.db2.gz ABTJZUMLKDXXFU-UHFFFAOYSA-N 0 0 309.142 3.214 10 30 DGEERN C=C(C)CNC(=S)Nc1ccc(CCC(=O)OCC)cc1 ZINC000739437355 574903258 /nfs/dbraw/zinc/90/32/58/574903258.db2.gz LZPNWLIXYMRMAS-UHFFFAOYSA-N 0 0 306.431 3.045 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000739368111 574900868 /nfs/dbraw/zinc/90/08/68/574900868.db2.gz RYGOBGGCXCQEIL-ARFHVFGLSA-N 0 0 302.370 3.222 10 30 DGEERN C=CCc1ccccc1OC(=O)c1ccnc(N2CCCCC2)n1 ZINC000740529403 574935584 /nfs/dbraw/zinc/93/55/84/574935584.db2.gz MWSVKCORZFSTQO-UHFFFAOYSA-N 0 0 323.396 3.415 10 30 DGEERN C(=NNCCCOc1ccccc1)c1c[nH]c(-c2ccccc2)n1 ZINC000741463580 574958569 /nfs/dbraw/zinc/95/85/69/574958569.db2.gz DPMXJCLHCQQSKO-UHFFFAOYSA-N 0 0 320.396 3.469 10 30 DGEERN C#CCOc1cc(F)ccc1NCC(=O)Nc1ccccc1F ZINC000742261913 574988383 /nfs/dbraw/zinc/98/83/83/574988383.db2.gz MTZFNSRZHXYWJR-UHFFFAOYSA-N 0 0 316.307 3.027 10 30 DGEERN C=CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000742340210 574990819 /nfs/dbraw/zinc/99/08/19/574990819.db2.gz FFLVUMLFOQDZLK-UHFFFAOYSA-N 0 0 322.357 3.467 10 30 DGEERN O=C(/C=C\c1ccc(-n2cncn2)cc1)c1ccc2c(c1)COC2 ZINC000742436513 575000252 /nfs/dbraw/zinc/00/02/52/575000252.db2.gz KXGNGGBDNSIQBW-BAQGIRSFSA-N 0 0 317.348 3.194 10 30 DGEERN C#CCN(CC#CC)C(=O)c1sc(C2CCCC2)nc1C ZINC000742712688 575014134 /nfs/dbraw/zinc/01/41/34/575014134.db2.gz KHESYQJXQVZRCM-UHFFFAOYSA-N 0 0 300.427 3.208 10 30 DGEERN C=CCN(CC=C)C(=O)COC(=O)/C=C(/CC)c1ccccc1 ZINC000729018124 575209182 /nfs/dbraw/zinc/20/91/82/575209182.db2.gz FPDSTXCBPQCWFQ-PEZBUJJGSA-N 0 0 313.397 3.224 10 30 DGEERN Clc1cnc(N=NCc2cnn3ccccc23)c(Cl)c1 ZINC000729635670 575257843 /nfs/dbraw/zinc/25/78/43/575257843.db2.gz HAXZPHMXICFLIO-UHFFFAOYSA-N 0 0 306.156 3.482 10 30 DGEERN Cc1ccc(NC(=S)NN=Cc2cnn3ccccc23)c(C)c1 ZINC000729633832 575257852 /nfs/dbraw/zinc/25/78/52/575257852.db2.gz UGQXPRBXYZHFLC-UHFFFAOYSA-N 0 0 323.425 3.272 10 30 DGEERN O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cnn2ccccc12 ZINC000729637947 575257866 /nfs/dbraw/zinc/25/78/66/575257866.db2.gz YQCOGTQKSFKUHY-UHFFFAOYSA-N 0 0 315.720 3.342 10 30 DGEERN C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc(C#N)cc1F ZINC000729821046 575264195 /nfs/dbraw/zinc/26/41/95/575264195.db2.gz DFZABMAQTXRGKY-NHYWBVRUSA-N 0 0 305.422 3.240 10 30 DGEERN Cc1ccc([C@@H](C)CNC(=O)COc2cccc(C#N)c2)cc1 ZINC000737649362 575908688 /nfs/dbraw/zinc/90/86/88/575908688.db2.gz PRWQMGLSOPWYBW-HNNXBMFYSA-N 0 0 308.381 3.165 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000727061655 576099796 /nfs/dbraw/zinc/09/97/96/576099796.db2.gz KCTRBQAJPJZZME-UHFFFAOYSA-N 0 0 305.284 3.387 10 30 DGEERN C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000727213799 576112522 /nfs/dbraw/zinc/11/25/22/576112522.db2.gz OVXDNLRJNDLUDX-HIFRSBDPSA-N 0 0 321.442 3.037 10 30 DGEERN Cc1c(C(C)N=Nc2ccc(C)cn2)nnn1-c1ccccc1 ZINC000727260114 576116789 /nfs/dbraw/zinc/11/67/89/576116789.db2.gz QXRUIGVGGHKMIJ-UHFFFAOYSA-N 0 0 306.373 3.115 10 30 DGEERN C=C(C)COc1cccc(NC(=S)NC[C@@H]2CCCO2)c1 ZINC000727285615 576117731 /nfs/dbraw/zinc/11/77/31/576117731.db2.gz XWLYHNAFQBTSNY-HNNXBMFYSA-N 0 0 306.431 3.107 10 30 DGEERN CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)SC ZINC000728766880 576199187 /nfs/dbraw/zinc/19/91/87/576199187.db2.gz OFZYDIDWYPBLRL-SMDDNHRTSA-N 0 0 318.442 3.210 10 30 DGEERN C#Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)nc1 ZINC000728805575 576206516 /nfs/dbraw/zinc/20/65/16/576206516.db2.gz CFEMZQXMGPBTHQ-IBGZPJMESA-N 0 0 314.344 3.404 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)cn1 ZINC000728812169 576208175 /nfs/dbraw/zinc/20/81/75/576208175.db2.gz RFCNYGVVJOJDQY-UHFFFAOYSA-N 0 0 320.270 3.256 10 30 DGEERN C#Cc1ccc(C(=O)NCCc2cccc3ccccc32)nc1 ZINC000728813064 576208575 /nfs/dbraw/zinc/20/85/75/576208575.db2.gz GXUUSYUHKWRGNV-UHFFFAOYSA-N 0 0 300.361 3.189 10 30 DGEERN C#Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cn1 ZINC000728860314 576220816 /nfs/dbraw/zinc/22/08/16/576220816.db2.gz OYPCMPZNOVADSK-SFHVURJKSA-N 0 0 308.356 3.049 10 30 DGEERN COc1cccc(/C=N/[C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000155093384 620766803 /nfs/dbraw/zinc/76/68/03/620766803.db2.gz MHLIEDJWGADSBI-MDBUFAAASA-N 0 0 322.368 3.162 10 30 DGEERN C#CCOc1cccc(COC(=O)CC[C@H]2CCCCO2)c1 ZINC000111961019 620776862 /nfs/dbraw/zinc/77/68/62/620776862.db2.gz UNASJCKSBMXMGR-MRXNPFEDSA-N 0 0 302.370 3.091 10 30 DGEERN C#Cc1ccc(C(=O)OCc2ccc(Br)s2)nc1 ZINC000729006839 619098551 /nfs/dbraw/zinc/09/85/51/619098551.db2.gz LPEFFBOAHSPIAL-UHFFFAOYSA-N 0 0 322.183 3.244 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cnc3ccc(C)cn13)C2=O ZINC000151413548 620444502 /nfs/dbraw/zinc/44/45/02/620444502.db2.gz KIESBEHACZKVIF-MDWZMJQESA-N 0 0 320.348 3.310 10 30 DGEERN C#CCOc1cccc(NC(=O)NC[C@@](C)(O)CCC(C)C)c1 ZINC000151539531 620457881 /nfs/dbraw/zinc/45/78/81/620457881.db2.gz AGEFSOATBGFQOY-SFHVURJKSA-N 0 0 318.417 3.007 10 30 DGEERN C#CCCCCNC(=O)NCc1ccc(F)cc1CSC ZINC000152166324 620495389 /nfs/dbraw/zinc/49/53/89/620495389.db2.gz JNRYKHZPXYPNEQ-UHFFFAOYSA-N 0 0 308.422 3.291 10 30 DGEERN C#C[C@@H](OC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C1CC1 ZINC000152659246 620516731 /nfs/dbraw/zinc/51/67/31/620516731.db2.gz NUQHPPUYEUHADW-GOSISDBHSA-N 0 0 308.381 3.117 10 30 DGEERN C#C[C@H](OC(=O)c1cc(CC=C)c(OC)c(OC)c1)C1CC1 ZINC000152821183 620524953 /nfs/dbraw/zinc/52/49/53/620524953.db2.gz RNGIHILNKJGTCV-HNNXBMFYSA-N 0 0 300.354 3.001 10 30 DGEERN COCc1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)cc1 ZINC000153300640 620547346 /nfs/dbraw/zinc/54/73/46/620547346.db2.gz RLXKFEOMTZKLBS-AWEZNQCLSA-N 0 0 315.394 3.434 10 30 DGEERN Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(CC#N)cc1 ZINC000032405589 620580531 /nfs/dbraw/zinc/58/05/31/620580531.db2.gz BNOXHERJHYTQBH-UHFFFAOYSA-N 0 0 321.785 3.482 10 30 DGEERN C#CCOc1ccc(CNCc2nc3c(cccc3C)[nH]2)cc1 ZINC000153636865 620588983 /nfs/dbraw/zinc/58/89/83/620588983.db2.gz QFMSQBMFZYRCOK-UHFFFAOYSA-N 0 0 305.381 3.173 10 30 DGEERN N#Cc1ccc(OC[C@H](O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000153875586 620619843 /nfs/dbraw/zinc/61/98/43/620619843.db2.gz QDWVCALKZKAWRL-AWEZNQCLSA-N 0 0 318.716 3.232 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)O[C@H](C)CC#N)cc1OC ZINC000113696283 620941812 /nfs/dbraw/zinc/94/18/12/620941812.db2.gz KZINNDLRUSKABU-STMXVASLSA-N 0 0 301.342 3.119 10 30 DGEERN C=C(Br)CNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114523607 621009351 /nfs/dbraw/zinc/00/93/51/621009351.db2.gz FNQLIUKGWUMZEN-CQSZACIVSA-N 0 0 313.239 3.427 10 30 DGEERN C=CC[C@H](C)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000116987956 621332396 /nfs/dbraw/zinc/33/23/96/621332396.db2.gz XDDDIMHFLLGQPB-HNNXBMFYSA-N 0 0 322.408 3.164 10 30 DGEERN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C=CC(C)(C)C ZINC000117083443 621351168 /nfs/dbraw/zinc/35/11/68/621351168.db2.gz NNLFZSWMYCBBLH-NHAQELONSA-N 0 0 314.385 3.335 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CC1CCOCC1 ZINC000117534261 621411299 /nfs/dbraw/zinc/41/12/99/621411299.db2.gz ITUSWKYABKWFOY-AWEZNQCLSA-N 0 0 302.370 3.120 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1ccc(COC)o1 ZINC000119833279 621733533 /nfs/dbraw/zinc/73/35/33/621733533.db2.gz PNUIOHDTBPUCER-UHFFFAOYSA-N 0 0 302.326 3.382 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000120714672 621982616 /nfs/dbraw/zinc/98/26/16/621982616.db2.gz UMMSICBTDISFAK-STQMWFEESA-N 0 0 304.365 3.490 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000121615472 622166506 /nfs/dbraw/zinc/16/65/06/622166506.db2.gz JMQVYMAUKPEEQA-CQSZACIVSA-N 0 0 303.749 3.231 10 30 DGEERN CCCCCCCCCCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121652636 622170294 /nfs/dbraw/zinc/17/02/94/622170294.db2.gz LXKMCSIZZGBXJP-HNNXBMFYSA-N 0 0 317.495 3.163 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@@H](C)OCCC(C)C)c1 ZINC000124517614 623136133 /nfs/dbraw/zinc/13/61/33/623136133.db2.gz VWYWOBBKLXONJO-OAHLLOKOSA-N 0 0 304.386 3.041 10 30 DGEERN C[C@H](C#N)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000125897591 623595340 /nfs/dbraw/zinc/59/53/40/623595340.db2.gz AZGDWGHUZJZYHE-IBDUZEINSA-N 0 0 302.683 3.400 10 30 DGEERN C=CCCCN(C)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000127401616 624387398 /nfs/dbraw/zinc/38/73/98/624387398.db2.gz DQMXJOPVKWBDIQ-CQSZACIVSA-N 0 0 310.438 3.058 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cncs1 ZINC000129645926 625716884 /nfs/dbraw/zinc/71/68/84/625716884.db2.gz GIHNLFHFTPEWPH-HNNXBMFYSA-N 0 0 316.382 3.162 10 30 DGEERN CC(C)[C@@H](C)OC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000127618027 624473014 /nfs/dbraw/zinc/47/30/14/624473014.db2.gz JUBMESNCYVDHNA-OAHLLOKOSA-N 0 0 316.401 3.301 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1ccccc1 ZINC000131006664 625931179 /nfs/dbraw/zinc/93/11/79/625931179.db2.gz NMUKIAZXPWRMNG-UHFFFAOYSA-N 0 0 317.396 3.215 10 30 DGEERN C#Cc1cccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)c1 ZINC000132746365 626738265 /nfs/dbraw/zinc/73/82/65/626738265.db2.gz PGKVZLJBHJZPCY-UHFFFAOYSA-N 0 0 322.339 3.186 10 30 DGEERN C=CCC[C@H](OC(=O)c1cccc(S(=O)(=O)CC)c1)C1CC1 ZINC000136394778 627063650 /nfs/dbraw/zinc/06/36/50/627063650.db2.gz SQSBBXIYGMHVAF-INIZCTEOSA-N 0 0 322.426 3.382 10 30 DGEERN CCOc1cc([C@@H](CC=O)NC(=O)OC(C)(C)C)ccc1OC ZINC000218503271 627109520 /nfs/dbraw/zinc/10/95/20/627109520.db2.gz NXLLWFIJJGKGAL-CYBMUJFWSA-N 0 0 323.389 3.249 10 30 DGEERN C#Cc1cccc(N(C(=O)[C@H](C)n2nc(C)cc2C)C(C)C)c1 ZINC000102908802 630307749 /nfs/dbraw/zinc/30/77/49/630307749.db2.gz OGIWDTBMEKQSRM-INIZCTEOSA-N 0 0 309.413 3.484 10 30 DGEERN COc1cccc(C#CCOC(=O)Cc2ccc(F)cc2F)c1 ZINC000121589551 631198827 /nfs/dbraw/zinc/19/88/27/631198827.db2.gz ZRGFHLAFTZGPRG-UHFFFAOYSA-N 0 0 316.303 3.111 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](C)OCC1CC1 ZINC000107060038 631517425 /nfs/dbraw/zinc/51/74/25/631517425.db2.gz RAVFOVMSZPCBDM-UONOGXRCSA-N 0 0 302.370 3.118 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000108838233 631947579 /nfs/dbraw/zinc/94/75/79/631947579.db2.gz CUJLBLFVRKGFLZ-SFHVURJKSA-N 0 0 306.365 3.298 10 30 DGEERN N#CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007364477 632116063 /nfs/dbraw/zinc/11/60/63/632116063.db2.gz BSMPDDQVEASDNN-SFHVURJKSA-N 0 0 319.364 3.318 10 30 DGEERN N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)C1CC1 ZINC000109367754 632179013 /nfs/dbraw/zinc/17/90/13/632179013.db2.gz ZQCGETMHBHCTBY-UHFFFAOYSA-N 0 0 305.333 3.361 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000180167191 659953577 /nfs/dbraw/zinc/95/35/77/659953577.db2.gz JCVDZLVOEFUERD-UONOGXRCSA-N 0 0 305.374 3.199 10 30 DGEERN Cc1cccc(CCCOCCOC(=O)c2ccc(C#N)cc2)n1 ZINC000073023778 660236171 /nfs/dbraw/zinc/23/61/71/660236171.db2.gz ZKAZDJFFLYHONA-UHFFFAOYSA-N 0 0 324.380 3.068 10 30 DGEERN CC#CCCCC(=O)OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000186299248 660364465 /nfs/dbraw/zinc/36/44/65/660364465.db2.gz OGEFSJHEEMIELL-OAHLLOKOSA-N 0 0 323.433 3.370 10 30 DGEERN C=C(Br)CNc1cc(C)nc(-c2ccncc2)n1 ZINC000057828838 660443246 /nfs/dbraw/zinc/44/32/46/660443246.db2.gz VCVBCIHCTPKPFE-UHFFFAOYSA-N 0 0 305.179 3.168 10 30 DGEERN C#C[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000700584514 660629515 /nfs/dbraw/zinc/62/95/15/660629515.db2.gz OUXBSABWLXBCBE-NSHDSACASA-N 0 0 312.196 3.244 10 30 DGEERN C#C[C@H](NC(=O)/C=C\c1ccc(Br)o1)C(C)(C)C ZINC000702225311 660716852 /nfs/dbraw/zinc/71/68/52/660716852.db2.gz WVVRNAHAIFVRPC-DVBBHNHCSA-N 0 0 310.191 3.219 10 30 DGEERN C#C[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)C(C)(C)C ZINC000702236966 660717233 /nfs/dbraw/zinc/71/72/33/660717233.db2.gz UTGJAVDPFUIHMG-SECBINFHSA-N 0 0 305.852 3.036 10 30 DGEERN Cc1ccc(/C=C\C(=O)NCC(C)(C)C#N)c(Br)c1 ZINC000706369001 660854059 /nfs/dbraw/zinc/85/40/59/660854059.db2.gz GITIVSKKUDHNTK-SREVYHEPSA-N 0 0 321.218 3.437 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000187078164 660948614 /nfs/dbraw/zinc/94/86/14/660948614.db2.gz CRJZRILZDZZRRU-LLVKDONJSA-N 0 0 305.378 3.123 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2cccc(CC#N)c2)C1 ZINC000711438622 660952379 /nfs/dbraw/zinc/95/23/79/660952379.db2.gz GKRAJGHTUZSUKU-FZNQNYSPSA-N 0 0 315.417 3.468 10 30 DGEERN CC(C)(C)/C=C\C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000254913187 655543168 /nfs/dbraw/zinc/54/31/68/655543168.db2.gz YRCRAEJHEBRTSP-KTKRTIGZSA-N 0 0 311.429 3.199 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc(OC)c1OC ZINC000187517675 655550377 /nfs/dbraw/zinc/55/03/77/655550377.db2.gz MOZAJKIHDIKUSE-KRWDZBQOSA-N 0 0 308.374 3.089 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)COc1ccc2c(c1)CCC2 ZINC000187507809 655550398 /nfs/dbraw/zinc/55/03/98/655550398.db2.gz BJWLNTNWHFJQPB-IBGZPJMESA-N 0 0 318.413 3.326 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)COc1ccc2c(c1)CCC2 ZINC000187507791 655550656 /nfs/dbraw/zinc/55/06/56/655550656.db2.gz BJWLNTNWHFJQPB-LJQANCHMSA-N 0 0 318.413 3.326 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccn(C2CCCC2)n1 ZINC000187532619 655550754 /nfs/dbraw/zinc/55/07/54/655550754.db2.gz JNMGEXBWACZLRA-QGZVFWFLSA-N 0 0 306.406 3.384 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187556403 655551182 /nfs/dbraw/zinc/55/11/82/655551182.db2.gz ZSSBNVGIEOHWQU-MRXNPFEDSA-N 0 0 307.346 3.289 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc(-n2cccn2)c1 ZINC000187563820 655551558 /nfs/dbraw/zinc/55/15/58/655551558.db2.gz ZWGLKLALQAFXIM-SFHVURJKSA-N 0 0 314.385 3.258 10 30 DGEERN C=C[C@@H](C)OC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000187587422 655551943 /nfs/dbraw/zinc/55/19/43/655551943.db2.gz UZFCEFXIVUDGKH-GFCCVEGCSA-N 0 0 305.374 3.443 10 30 DGEERN C#CCN(CC#C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000175725158 655586516 /nfs/dbraw/zinc/58/65/16/655586516.db2.gz GNENFGODGFVNLA-UHFFFAOYSA-N 0 0 321.351 3.113 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C=NOC)cc1)c1nccs1 ZINC000255086838 655595933 /nfs/dbraw/zinc/59/59/33/655595933.db2.gz KWZRCXWXYRPHMQ-ZDUSSCGKSA-N 0 0 303.387 3.005 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(Br)c(F)c1 ZINC000177355704 655600313 /nfs/dbraw/zinc/60/03/13/655600313.db2.gz JJVHKFKMBSQIGZ-UHFFFAOYSA-N 0 0 323.121 3.018 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000175840456 655609979 /nfs/dbraw/zinc/60/99/79/655609979.db2.gz LZXBMRRZGUQVRO-UHFFFAOYSA-N 0 0 309.156 3.038 10 30 DGEERN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000175874972 655618948 /nfs/dbraw/zinc/61/89/48/655618948.db2.gz MRMJDJHUFAPWIV-KBPBESRZSA-N 0 0 310.438 3.152 10 30 DGEERN CC[C@H](NC(=O)C#Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177780356 655652725 /nfs/dbraw/zinc/65/27/25/655652725.db2.gz KUVROMBIQNEHMX-KRWDZBQOSA-N 0 0 308.337 3.214 10 30 DGEERN CCC(C)(C)NC(=O)CON=C1CCCc2cc(OC)ccc21 ZINC000255213845 655654263 /nfs/dbraw/zinc/65/42/63/655654263.db2.gz PENBTQZKGXZPJG-UHFFFAOYSA-N 0 0 318.417 3.057 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000156766160 655673335 /nfs/dbraw/zinc/67/33/35/655673335.db2.gz VHDZEWXJHITIKC-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000176015903 655705570 /nfs/dbraw/zinc/70/55/70/655705570.db2.gz HZWZHNLJBRRJJS-GJZGRUSLSA-N 0 0 302.370 3.300 10 30 DGEERN C=CCCCC(=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000178295437 655727607 /nfs/dbraw/zinc/72/76/07/655727607.db2.gz YLBCSYAPJZPSMS-UHFFFAOYSA-N 0 0 302.296 3.412 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000176031262 655736561 /nfs/dbraw/zinc/73/65/61/655736561.db2.gz QUWXJFXNWXSCKQ-GFCCVEGCSA-N 0 0 301.264 3.219 10 30 DGEERN CC[C@H](OC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1F ZINC000176147169 655744089 /nfs/dbraw/zinc/74/40/89/655744089.db2.gz RCEYLUPMPQDLTC-HNNXBMFYSA-N 0 0 304.296 3.483 10 30 DGEERN COc1ccc2cc(COC(=O)c3cc(C#N)cn3C)ccc2c1 ZINC000176634941 655750152 /nfs/dbraw/zinc/75/01/52/655750152.db2.gz KGNKSVSNJBQAAN-UHFFFAOYSA-N 0 0 320.348 3.416 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000176643141 655759244 /nfs/dbraw/zinc/75/92/44/655759244.db2.gz YGGSOUJAASGGRU-RDJZCZTQSA-N 0 0 323.371 3.300 10 30 DGEERN COC(=O)c1cc(F)ccc1CON=Cc1ccccc1C ZINC000255512095 655782974 /nfs/dbraw/zinc/78/29/74/655782974.db2.gz HNOHATKLMFIDIC-UHFFFAOYSA-N 0 0 301.317 3.471 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)/C=C\c1ccccc1C#N ZINC000255569328 655815223 /nfs/dbraw/zinc/81/52/23/655815223.db2.gz BBJKOZFVVHMCEE-JNSOCZORSA-N 0 0 320.392 3.293 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246402537 655822854 /nfs/dbraw/zinc/82/28/54/655822854.db2.gz LUWNKFNRXSPTQC-LESCRADOSA-N 0 0 315.413 3.494 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000065655252 655848361 /nfs/dbraw/zinc/84/83/61/655848361.db2.gz DYFVVGZSYRYCNV-STQMWFEESA-N 0 0 306.358 3.043 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(C(=O)OC)cc1 ZINC000187591063 655853504 /nfs/dbraw/zinc/85/35/04/655853504.db2.gz ZKXWBSQTWCXPRZ-UGSOOPFHSA-N 0 0 320.385 3.306 10 30 DGEERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1ccc(F)cc1C#N ZINC000309716544 655877089 /nfs/dbraw/zinc/87/70/89/655877089.db2.gz KZUQGUQQKFERRT-QWRGUYRKSA-N 0 0 307.369 3.411 10 30 DGEERN CCOc1cccc(/C=N/[C@@H](C)c2ccncc2OC)c1O ZINC000187742675 655903348 /nfs/dbraw/zinc/90/33/48/655903348.db2.gz XZKQVECBUJIKNC-NJDFMEINSA-N 0 0 300.358 3.375 10 30 DGEERN Oc1ccc(/C=N\Cc2cccc(-c3ccccn3)c2)c(O)c1O ZINC000255838778 655910379 /nfs/dbraw/zinc/91/03/79/655910379.db2.gz ZJWBHXGSNXWCCQ-NDENLUEZSA-N 0 0 320.348 3.485 10 30 DGEERN C#CC[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(C)C ZINC000177724735 655943444 /nfs/dbraw/zinc/94/34/44/655943444.db2.gz WUSXCZQDSGCJPS-INIZCTEOSA-N 0 0 301.411 3.383 10 30 DGEERN C#CC[C@H](OC(=O)COc1ccc(CCC(C)=O)cc1)C(C)C ZINC000177741183 655944377 /nfs/dbraw/zinc/94/43/77/655944377.db2.gz AUHWILQSOYEYBJ-SFHVURJKSA-N 0 0 316.397 3.178 10 30 DGEERN N#C[C@@H](COC(=O)CC[C@H]1CCCCO1)Cc1cccs1 ZINC000180104584 655950466 /nfs/dbraw/zinc/95/04/66/655950466.db2.gz UPAQIRAZIHBVNI-UONOGXRCSA-N 0 0 307.415 3.323 10 30 DGEERN O=C(NCc1ccc(Cl)cn1)c1coc(C2CCOCC2)n1 ZINC000328825870 656080218 /nfs/dbraw/zinc/08/02/18/656080218.db2.gz SOBGFURBAXPLOU-UHFFFAOYSA-N 0 0 321.764 3.122 10 30 DGEERN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162298433 656080242 /nfs/dbraw/zinc/08/02/42/656080242.db2.gz YORWONWTWIPQGY-HOCLYGCPSA-N 0 0 322.449 3.130 10 30 DGEERN C=CCOc1ccccc1CNCc1cccc2c1OCCO2 ZINC000236675957 656101121 /nfs/dbraw/zinc/10/11/21/656101121.db2.gz IGDDZPIELWLSKX-UHFFFAOYSA-N 0 0 311.381 3.312 10 30 DGEERN COc1ccc(OCCC(=O)OCC2(C#N)CCCCC2)cc1 ZINC000183678712 656114190 /nfs/dbraw/zinc/11/41/90/656114190.db2.gz OTIALWBXSLLGSA-UHFFFAOYSA-N 0 0 317.385 3.481 10 30 DGEERN Cc1cc(C(=O)OCC2(C#N)CCOCC2)c2ccccc2n1 ZINC000185377394 656125944 /nfs/dbraw/zinc/12/59/44/656125944.db2.gz PJMSPSCERYHODF-UHFFFAOYSA-N 0 0 310.353 3.020 10 30 DGEERN CO[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000122984391 656131647 /nfs/dbraw/zinc/13/16/47/656131647.db2.gz SHZXJBBPSQDRLQ-KDOFPFPSSA-N 0 0 319.364 3.137 10 30 DGEERN CCCCCCCS(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000195057515 656208505 /nfs/dbraw/zinc/20/85/05/656208505.db2.gz OXRSSMNGPWNVOU-OAHLLOKOSA-N 0 0 311.447 3.400 10 30 DGEERN COc1cccc(OC)c1CC(=O)OCC(C)(C)CCC#N ZINC000195054976 656208530 /nfs/dbraw/zinc/20/85/30/656208530.db2.gz NEOGGGYEVBPTQP-UHFFFAOYSA-N 0 0 305.374 3.119 10 30 DGEERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(C)(C)CCC#N)C1 ZINC000195088804 656208774 /nfs/dbraw/zinc/20/87/74/656208774.db2.gz QHCKJOFJGLMGTD-HUUCEWRRSA-N 0 0 322.449 3.144 10 30 DGEERN CCCCCCCS(=O)(=O)N(C)CCc1ncc(C)s1 ZINC000195434881 656212437 /nfs/dbraw/zinc/21/24/37/656212437.db2.gz PWWGFBRRFOEDRZ-UHFFFAOYSA-N 0 0 318.508 3.226 10 30 DGEERN O=C(NO)c1sc2cc(Br)ccc2c1Cl ZINC000725337123 656533548 /nfs/dbraw/zinc/53/35/48/656533548.db2.gz HGWWVNOVUJBAFI-UHFFFAOYSA-N 0 0 306.568 3.436 10 30 DGEERN C=CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 ZINC000005926610 656571746 /nfs/dbraw/zinc/57/17/46/656571746.db2.gz HJPRWSHTKKQTNE-JLHYYAGUSA-N 0 0 305.424 3.473 10 30 DGEERN O=C(N=C1NCCS1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000078610782 657039957 /nfs/dbraw/zinc/03/99/57/657039957.db2.gz MWNXCDHDLNTXPD-DTWKUNHWSA-N 0 0 315.225 3.316 10 30 DGEERN C#CC[C@H](OC(=O)CCCOc1ccc(C(C)=O)cc1)C1CC1 ZINC000183041403 657376239 /nfs/dbraw/zinc/37/62/39/657376239.db2.gz PFNOYDGASAASCW-SFHVURJKSA-N 0 0 314.381 3.393 10 30 DGEERN CC#CCCCCOC(=O)c1ncccc1OCC(F)(F)F ZINC000183948374 657383230 /nfs/dbraw/zinc/38/32/30/657383230.db2.gz XLZGSUUWWIOVEJ-UHFFFAOYSA-N 0 0 315.291 3.373 10 30 DGEERN CC#CCCCCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000183945437 657383436 /nfs/dbraw/zinc/38/34/36/657383436.db2.gz WIRVWOMYRDGQCC-UHFFFAOYSA-N 0 0 307.371 3.424 10 30 DGEERN C=CCN(CC(=C)Br)Cc1cccc([N+](=O)[O-])c1 ZINC000063381131 657383494 /nfs/dbraw/zinc/38/34/94/657383494.db2.gz FCTHESCVGOUMPX-UHFFFAOYSA-N 0 0 311.179 3.491 10 30 DGEERN Cc1c(C#N)cccc1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000179028793 657423483 /nfs/dbraw/zinc/42/34/83/657423483.db2.gz OZHZPYWVKXOWNT-MDZDMXLPSA-N 0 0 316.357 3.418 10 30 DGEERN N#C[C@H](COC(=O)CCc1ccccn1)Cc1ccc(F)cc1 ZINC000179038165 657432154 /nfs/dbraw/zinc/43/21/54/657432154.db2.gz YNLMIZGROOPZBR-OAHLLOKOSA-N 0 0 312.344 3.079 10 30 DGEERN COc1ccc(OC)c(C=Nc2cc(OC)ccc2OC)c1 ZINC000250392527 657469886 /nfs/dbraw/zinc/46/98/86/657469886.db2.gz TXEDPCGSVXMLGD-UHFFFAOYSA-N 0 0 301.342 3.472 10 30 DGEERN C=CCCCOC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000303652327 657692404 /nfs/dbraw/zinc/69/24/04/657692404.db2.gz BKMANXIFKFLKQT-CYBMUJFWSA-N 0 0 319.426 3.271 10 30 DGEERN C=CCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1 ZINC000254569385 658127088 /nfs/dbraw/zinc/12/70/88/658127088.db2.gz NLECZEQGORYULG-UHFFFAOYSA-N 0 0 317.458 3.382 10 30 DGEERN C#CCCCCNC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000189307920 658138648 /nfs/dbraw/zinc/13/86/48/658138648.db2.gz CIQKSQDJWZSTDW-UHFFFAOYSA-N 0 0 311.429 3.132 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)OC[C@@H]2C[C@H]2C)cc1OC ZINC000261435236 658402267 /nfs/dbraw/zinc/40/22/67/658402267.db2.gz NDCIIMDIKPDSAC-BZDCKHMYSA-N 0 0 302.370 3.472 10 30 DGEERN COc1cccc(C#CCOC(=O)Cc2ccc(F)c(F)c2)c1 ZINC000088815778 658640554 /nfs/dbraw/zinc/64/05/54/658640554.db2.gz IHNVSYMZIYWJQC-UHFFFAOYSA-N 0 0 316.303 3.111 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1cc2c(cc1O)OCO2 ZINC000436482402 658799038 /nfs/dbraw/zinc/79/90/38/658799038.db2.gz AAVLMIMRKMBGJQ-UHFFFAOYSA-N 0 0 311.337 3.492 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000187604030 658910877 /nfs/dbraw/zinc/91/08/77/658910877.db2.gz AUTUONXKJSYQCD-VQIMIIECSA-N 0 0 317.429 3.285 10 30 DGEERN C#CCN(C(=O)Cc1cc(Cl)ccc1OC)C1CCCC1 ZINC000163994815 658912177 /nfs/dbraw/zinc/91/21/77/658912177.db2.gz LSZXVHZCJQDDMR-UHFFFAOYSA-N 0 0 305.805 3.296 10 30 DGEERN C#CCN(C(=O)[C@H](C)OCc1cccc(OC)c1)C1CCCC1 ZINC000164062742 658915411 /nfs/dbraw/zinc/91/54/11/658915411.db2.gz DLHQOUYTTYKQMJ-HNNXBMFYSA-N 0 0 315.413 3.005 10 30 DGEERN C#CCCCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000156449110 658920722 /nfs/dbraw/zinc/92/07/22/658920722.db2.gz NLPVFIDYZVUBQT-UHFFFAOYSA-N 0 0 301.777 3.059 10 30 DGEERN C=C(C)CNC(=S)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000044858614 658927052 /nfs/dbraw/zinc/92/70/52/658927052.db2.gz IQPNGAKYLBOUEP-OAHLLOKOSA-N 0 0 306.431 3.107 10 30 DGEERN C=CCC[C@H](OC(=O)c1cnn(C2CCOCC2)c1C)C1CC1 ZINC000156645852 658931974 /nfs/dbraw/zinc/93/19/74/658931974.db2.gz VQSHIDASGDTEBS-KRWDZBQOSA-N 0 0 318.417 3.445 10 30 DGEERN CN(CCc1ccc(F)cc1)C(=O)/C=C/c1ccccc1C#N ZINC000056228031 658959016 /nfs/dbraw/zinc/95/90/16/658959016.db2.gz ZYOBQYKUHCLQHS-DHZHZOJOSA-N 0 0 308.356 3.412 10 30 DGEERN C=C(C)CS(=O)(=O)NCCc1c(C)[nH]c2c1cc(C)cc2C ZINC000223441552 658979767 /nfs/dbraw/zinc/97/97/67/658979767.db2.gz ZVCJTXRGUICWCX-UHFFFAOYSA-N 0 0 320.458 3.131 10 30 DGEERN C#CCN(CC#C)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000075400052 659036743 /nfs/dbraw/zinc/03/67/43/659036743.db2.gz QDFCVEWEHKPCON-UHFFFAOYSA-N 0 0 305.164 3.183 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Oc2ccc(C#N)cc2F)s1 ZINC000158086487 659142228 /nfs/dbraw/zinc/14/22/28/659142228.db2.gz WFWWSBJFKWODNM-VIFPVBQESA-N 0 0 320.345 3.389 10 30 DGEERN CC(C)(C)c1cc(C(=O)N[C@@]2(C#N)CCSC2)cc(Cl)n1 ZINC000228103134 659174760 /nfs/dbraw/zinc/17/47/60/659174760.db2.gz ZYZCLIMFMVTTTH-OAHLLOKOSA-N 0 0 323.849 3.162 10 30 DGEERN C#CCCCOC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000170713468 659228418 /nfs/dbraw/zinc/22/84/18/659228418.db2.gz PRGVCGKWPQMNHE-AWEZNQCLSA-N 0 0 315.413 3.059 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000171225899 659267947 /nfs/dbraw/zinc/26/79/47/659267947.db2.gz DYWNZSBYLYVPJT-IKGGRYGDSA-N 0 0 313.397 3.189 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cc(C(C)C)n(C)n2)cc1 ZINC000173486717 659389474 /nfs/dbraw/zinc/38/94/74/659389474.db2.gz LJRDOTPHTOMWEM-UHFFFAOYSA-N 0 0 300.358 3.328 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000174157942 659417027 /nfs/dbraw/zinc/41/70/27/659417027.db2.gz LISPTUKSYQLSAE-UHFFFAOYSA-N 0 0 324.167 3.002 10 30 DGEERN COc1ccccc1[C@@H](O)CNc1c(C#N)cnc2ccccc21 ZINC000174681842 659494806 /nfs/dbraw/zinc/49/48/06/659494806.db2.gz OCFGOPINDICQHV-KRWDZBQOSA-N 0 0 319.364 3.261 10 30 DGEERN C=C(Br)CNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000073096592 659812474 /nfs/dbraw/zinc/81/24/74/659812474.db2.gz BOXPXIJHAGIBTP-UHFFFAOYSA-N 0 0 321.218 3.434 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@H](C)C(F)(F)F)cc1OC ZINC000174951870 659913821 /nfs/dbraw/zinc/91/38/21/659913821.db2.gz RXIORJIBQJHAAA-SECBINFHSA-N 0 0 304.264 3.368 10 30 DGEERN C#CC[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000175332304 659919042 /nfs/dbraw/zinc/91/90/42/659919042.db2.gz MCWZARVVHSOWII-CQSZACIVSA-N 0 0 305.355 3.032 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)Oc1ccc(C#N)cc1 ZINC000067978319 659932822 /nfs/dbraw/zinc/93/28/22/659932822.db2.gz GFZRGRPVHINLGG-UHFFFAOYSA-N 0 0 311.385 3.176 10 30 DGEERN N#C[C@H](COC(=O)CCc1ccccn1)Cc1cccs1 ZINC000180097678 659951985 /nfs/dbraw/zinc/95/19/85/659951985.db2.gz NRIKUBRAONLQNP-CYBMUJFWSA-N 0 0 300.383 3.001 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)OCC(C)(C)C#N)cc2)n1 ZINC000180105719 659951994 /nfs/dbraw/zinc/95/19/94/659951994.db2.gz OHGSANFQVOFTCI-UHFFFAOYSA-N 0 0 311.385 3.255 10 30 DGEERN C#CC[C@H](OC(=O)COc1ccc(C)c(C)c1)c1ccccn1 ZINC000068595955 659958699 /nfs/dbraw/zinc/95/86/99/659958699.db2.gz CCADFVTVXXTLLF-SFHVURJKSA-N 0 0 309.365 3.385 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccn1 ZINC000068596733 659958841 /nfs/dbraw/zinc/95/88/41/659958841.db2.gz LVAXQMXNYYXDGB-INIZCTEOSA-N 0 0 310.309 3.220 10 30 DGEERN C#CCSCCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180695687 659968237 /nfs/dbraw/zinc/96/82/37/659968237.db2.gz MRCBLGISZQDRBC-UHFFFAOYSA-N 0 0 307.381 3.228 10 30 DGEERN C#CCOc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 ZINC000069058112 659974537 /nfs/dbraw/zinc/97/45/37/659974537.db2.gz OPMMNXUUDFOOPE-INIZCTEOSA-N 0 0 312.756 3.206 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000181997109 660029655 /nfs/dbraw/zinc/02/96/55/660029655.db2.gz RWAJSKVRDIMNGF-AWEZNQCLSA-N 0 0 318.348 3.048 10 30 DGEERN CCOc1cccnc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000182144695 660035568 /nfs/dbraw/zinc/03/55/68/660035568.db2.gz PGLOMAJSNVHNFZ-LBPRGKRZSA-N 0 0 311.341 3.023 10 30 DGEERN COc1ccc(/C=C/C(=O)c2cc(O)ccc2OC)c(OC)c1 ZINC000182289384 660040503 /nfs/dbraw/zinc/04/05/03/660040503.db2.gz PKGITPUYGWJXOA-VMPITWQZSA-N 0 0 314.337 3.314 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1ccn(-c2ccccc2)n1 ZINC000182286330 660041044 /nfs/dbraw/zinc/04/10/44/660041044.db2.gz CZUBCTKYXAQBGT-VQHVLOKHSA-N 0 0 320.348 3.483 10 30 DGEERN CC(C)COc1ncccc1C(=O)OCC1(C#N)CCCC1 ZINC000183858007 660144402 /nfs/dbraw/zinc/14/44/02/660144402.db2.gz FUTDSURZWDHBSZ-UHFFFAOYSA-N 0 0 302.374 3.357 10 30 DGEERN Cc1[nH]c2c(cccc2C(=O)OCC2(C#N)CCOCC2)c1C ZINC000183932363 660148155 /nfs/dbraw/zinc/14/81/55/660148155.db2.gz PKDICXBGVLIUHW-UHFFFAOYSA-N 0 0 312.369 3.262 10 30 DGEERN N#CC1(COC(=O)Cc2cccc3ccccc32)CCOCC1 ZINC000183951066 660148807 /nfs/dbraw/zinc/14/88/07/660148807.db2.gz BJCDOGGDOWKIDP-UHFFFAOYSA-N 0 0 309.365 3.246 10 30 DGEERN CC#CCCCCOC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183959730 660149833 /nfs/dbraw/zinc/14/98/33/660149833.db2.gz OJZPCMWICAHYAW-UHFFFAOYSA-N 0 0 302.296 3.186 10 30 DGEERN C=CCOc1ccc(C(=O)OCCC[C@@H]2CCCO2)cc1OC ZINC000184433899 660168198 /nfs/dbraw/zinc/16/81/98/660168198.db2.gz FFKRTLQTQSTNLM-HNNXBMFYSA-N 0 0 320.385 3.376 10 30 DGEERN C#CC[C@@H](OC(=O)c1cn(CCCC)nc1C)c1ccccn1 ZINC000187501500 661719826 /nfs/dbraw/zinc/71/98/26/661719826.db2.gz OBIDNLXAPWVSDI-QGZVFWFLSA-N 0 0 311.385 3.308 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc2c(s1)CCOC2 ZINC000187534213 661831858 /nfs/dbraw/zinc/83/18/58/661831858.db2.gz ZPBFYBNMFVCOIK-INIZCTEOSA-N 0 0 310.415 3.206 10 30 DGEERN CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000041494029 661834734 /nfs/dbraw/zinc/83/47/34/661834734.db2.gz KOSFPRDTJCTONX-MRXNPFEDSA-N 0 0 306.365 3.483 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1ccc(OC)cc1OC)C1CC1 ZINC000155658692 661850586 /nfs/dbraw/zinc/85/05/86/661850586.db2.gz WOSOBRYYAYEBET-QGZVFWFLSA-N 0 0 316.397 3.372 10 30 DGEERN C[C@H]1C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000157711328 661868481 /nfs/dbraw/zinc/86/84/81/661868481.db2.gz OJPQRXNOJXJPKR-CRCLSJGQSA-N 0 0 314.172 3.357 10 30 DGEERN COC(=O)c1ccc(CNc2snc(Cl)c2C#N)cc1 ZINC000048544047 661892239 /nfs/dbraw/zinc/89/22/39/661892239.db2.gz TYOQHQDRLBMJHK-UHFFFAOYSA-N 0 0 307.762 3.067 10 30 DGEERN C=CCC[C@H](OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000159683145 661893024 /nfs/dbraw/zinc/89/30/24/661893024.db2.gz DSQPTJMSFPCXAD-AWEZNQCLSA-N 0 0 321.377 3.086 10 30 DGEERN C=CCc1ccccc1OC(=O)Cn1nc(C)c(Cl)c1C ZINC000159714680 661893978 /nfs/dbraw/zinc/89/39/78/661893978.db2.gz WJXDKIUMHUQKKU-UHFFFAOYSA-N 0 0 304.777 3.487 10 30 DGEERN C#CC[C@H](OC(=O)CSCC(=O)OC(C)(C)C)C(C)(C)C ZINC000159782997 661895375 /nfs/dbraw/zinc/89/53/75/661895375.db2.gz YIGWERDYBWRQOF-LBPRGKRZSA-N 0 0 314.447 3.043 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000187954585 661909152 /nfs/dbraw/zinc/90/91/52/661909152.db2.gz GJQGLASPKKIUPT-KRWDZBQOSA-N 0 0 311.385 3.397 10 30 DGEERN CC[C@@H](CC#N)OC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000188048747 661913040 /nfs/dbraw/zinc/91/30/40/661913040.db2.gz BRJDARXGYZRWKP-NSHDSACASA-N 0 0 301.264 3.363 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1cccc(-n2cccn2)c1 ZINC000188931070 661954279 /nfs/dbraw/zinc/95/42/79/661954279.db2.gz FJALNGRYWNOIRM-QGZVFWFLSA-N 0 0 300.358 3.007 10 30 DGEERN C=CC[C@]1(C(=O)N[C@@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000190205190 662022851 /nfs/dbraw/zinc/02/28/51/662022851.db2.gz SWPMYHWGVZUVRW-SUMWQHHRSA-N 0 0 310.438 3.247 10 30 DGEERN C=CCc1cc(C(=O)O[C@H](C)COCC)cc(OC)c1OC ZINC000190693919 662041115 /nfs/dbraw/zinc/04/11/15/662041115.db2.gz WVQROFAONSDPHN-GFCCVEGCSA-N 0 0 308.374 3.014 10 30 DGEERN C=CC[C@]1(C(=O)N[C@@H](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000191132227 662054900 /nfs/dbraw/zinc/05/49/00/662054900.db2.gz UUEPQWVXAMXBCS-SCLBCKFNSA-N 0 0 322.449 3.247 10 30 DGEERN COc1ccc(C(=O)OCC(C)(C)CC#N)c(OC(F)F)c1 ZINC000191313653 662059418 /nfs/dbraw/zinc/05/94/18/662059418.db2.gz SFKXOYGSZJZVHZ-UHFFFAOYSA-N 0 0 313.300 3.393 10 30 DGEERN C#CCCCC(=O)O[C@@H](CCc1ccccc1)c1nccn1C ZINC000191322183 662059645 /nfs/dbraw/zinc/05/96/45/662059645.db2.gz HZMKHDVXIPVKLY-KRWDZBQOSA-N 0 0 310.397 3.441 10 30 DGEERN C#CCCCC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000192080070 662086940 /nfs/dbraw/zinc/08/69/40/662086940.db2.gz ATSUCBUQJWNKCR-UHFFFAOYSA-N 0 0 312.344 3.433 10 30 DGEERN C#CC[C@@H](OC(=O)CCOCC(F)(F)C(F)F)C(C)(C)C ZINC000192292522 662094388 /nfs/dbraw/zinc/09/43/88/662094388.db2.gz GKYQLJXIGUPEIR-SNVBAGLBSA-N 0 0 312.303 3.275 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079205181 662103571 /nfs/dbraw/zinc/10/35/71/662103571.db2.gz HTOHLJPGVXLNCB-XHDPSFHLSA-N 0 0 319.382 3.421 10 30 DGEERN C#CC[C@H](OC(=O)CCCc1nc(C(C)(C)C)no1)C1CC1 ZINC000079207161 662103686 /nfs/dbraw/zinc/10/36/86/662103686.db2.gz PETHRKAMSMMULC-ZDUSSCGKSA-N 0 0 304.390 3.035 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000079209003 662103999 /nfs/dbraw/zinc/10/39/99/662103999.db2.gz JGJNKFSCOQPJCZ-ROUUACIJSA-N 0 0 314.381 3.203 10 30 DGEERN C#CC[C@@H](OC(=O)c1cn(CCOC)c2ccccc12)C1CC1 ZINC000079208566 662104010 /nfs/dbraw/zinc/10/40/10/662104010.db2.gz PFOFILIYNSPUNE-GOSISDBHSA-N 0 0 311.381 3.246 10 30 DGEERN COCc1ccccc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079221722 662104592 /nfs/dbraw/zinc/10/45/92/662104592.db2.gz ALVSLGMAGBCIDZ-INIZCTEOSA-N 0 0 309.365 3.372 10 30 DGEERN C[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C#N)cc1 ZINC000192997624 662120203 /nfs/dbraw/zinc/12/02/03/662120203.db2.gz GUFAZFLXRHIZLQ-CYBMUJFWSA-N 0 0 307.353 3.040 10 30 DGEERN C=CCc1cc(C(=O)OC[C@@H]2C[C@H]2OCC)cc(OC)c1OC ZINC000193127288 662123468 /nfs/dbraw/zinc/12/34/68/662123468.db2.gz MCISCTYMZYYRTM-LSDHHAIUSA-N 0 0 320.385 3.014 10 30 DGEERN C=CCOCCCC(=O)OCC1(c2ccccc2)CCOCC1 ZINC000193345094 662131360 /nfs/dbraw/zinc/13/13/60/662131360.db2.gz VNILBVPWAOSRKD-UHFFFAOYSA-N 0 0 318.413 3.261 10 30 DGEERN CCCCCNC(=O)[C@@H](C#N)C(=O)CSc1ccccc1C ZINC000193370004 662131818 /nfs/dbraw/zinc/13/18/18/662131818.db2.gz UYPZJFUHMHSPFT-AWEZNQCLSA-N 0 0 318.442 3.102 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)n1 ZINC000080411864 662140730 /nfs/dbraw/zinc/14/07/30/662140730.db2.gz CXYJBMMYGVYBSY-QGZVFWFLSA-N 0 0 309.369 3.007 10 30 DGEERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C#Cc1ccccc1 ZINC000080636935 662149407 /nfs/dbraw/zinc/14/94/07/662149407.db2.gz FOMGIEBDZLAWCT-IBGZPJMESA-N 0 0 319.404 3.417 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000081079167 662159755 /nfs/dbraw/zinc/15/97/55/662159755.db2.gz ZNCLAOKBSSDQTO-UHFFFAOYSA-N 0 0 307.397 3.397 10 30 DGEERN CSc1ccc(CNC(=O)c2ccccc2OCC#N)cc1 ZINC000194304186 662163020 /nfs/dbraw/zinc/16/30/20/662163020.db2.gz DIFXKHBIUROMEA-UHFFFAOYSA-N 0 0 312.394 3.241 10 30 DGEERN C=CCOc1ccc(OC(=O)c2ccc([S@@](C)=O)cc2)cc1 ZINC000081323735 662164896 /nfs/dbraw/zinc/16/48/96/662164896.db2.gz RPCPILJWIFOXJZ-QFIPXVFZSA-N 0 0 316.378 3.208 10 30 DGEERN N#CCOc1ccc(CNC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000081656171 662170799 /nfs/dbraw/zinc/17/07/99/662170799.db2.gz YDHPYQFBFNPFRK-OWOJBTEDSA-N 0 0 324.355 3.448 10 30 DGEERN C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCCC1 ZINC000195240626 662181006 /nfs/dbraw/zinc/18/10/06/662181006.db2.gz MGYOMILSGOBUMC-DLBZAZTESA-N 0 0 300.377 3.269 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)N1CCc2ccccc21 ZINC000195394482 662188151 /nfs/dbraw/zinc/18/81/51/662188151.db2.gz KTOXSKGBJSYTJT-LBPRGKRZSA-N 0 0 312.335 3.015 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)C1CCC1 ZINC000083149512 662194139 /nfs/dbraw/zinc/19/41/39/662194139.db2.gz ABDVIXJMDBHGIK-AWEZNQCLSA-N 0 0 303.406 3.078 10 30 DGEERN N#C[C@@H](COC(=O)C[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000088807901 662235150 /nfs/dbraw/zinc/23/51/50/662235150.db2.gz JDIBKELSGSEWGE-HOCLYGCPSA-N 0 0 305.349 3.010 10 30 DGEERN N#C[C@@H](COC(=O)C[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000088807905 662235170 /nfs/dbraw/zinc/23/51/70/662235170.db2.gz JDIBKELSGSEWGE-GOEBONIOSA-N 0 0 305.349 3.010 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCN1c2ccccc2CCC1=O ZINC000089311527 662241399 /nfs/dbraw/zinc/24/13/99/662241399.db2.gz ZSPIBVHRWLOWTC-AWEZNQCLSA-N 0 0 301.386 3.254 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000089317240 662241846 /nfs/dbraw/zinc/24/18/46/662241846.db2.gz IYABXKLCKSAJMH-KGLIPLIRSA-N 0 0 317.385 3.089 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000089319536 662241916 /nfs/dbraw/zinc/24/19/16/662241916.db2.gz PAWBFDNQXZISHW-KGLIPLIRSA-N 0 0 305.374 3.172 10 30 DGEERN COc1ccc(COCCCC(=O)O[C@H](C#N)C(C)C)cc1 ZINC000089968232 662251349 /nfs/dbraw/zinc/25/13/49/662251349.db2.gz GOAKOGVYKMTRJU-MRXNPFEDSA-N 0 0 305.374 3.083 10 30 DGEERN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000246519695 662263403 /nfs/dbraw/zinc/26/34/03/662263403.db2.gz HQZWIWOBFPEJTR-IKGGRYGDSA-N 0 0 316.445 3.361 10 30 DGEERN N#C[C@H](C(=O)NCc1ccccc1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246536766 662264112 /nfs/dbraw/zinc/26/41/12/662264112.db2.gz JKPQXJRCIPFKGJ-BZSNNMDCSA-N 0 0 324.424 3.228 10 30 DGEERN C=C(C)CN(CC)C(=O)COc1c(C)cc(Cl)cc1C=O ZINC000091604063 662311190 /nfs/dbraw/zinc/31/11/90/662311190.db2.gz CBXFBINIMZMPBE-UHFFFAOYSA-N 0 0 309.793 3.264 10 30 DGEERN C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)O1 ZINC000248112547 662333482 /nfs/dbraw/zinc/33/34/82/662333482.db2.gz CFHAGZFPTUQOBW-GBIKHYSHSA-N 0 0 319.311 3.175 10 30 DGEERN C[C@@H]1CC[C@H](OC(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000248690101 662357121 /nfs/dbraw/zinc/35/71/21/662357121.db2.gz IJYFDMFGMIDNKR-CPUCHLNUSA-N 0 0 301.386 3.499 10 30 DGEERN CC(C)(C)OC(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000144394042 685084336 /nfs/dbraw/zinc/08/43/36/685084336.db2.gz JOXBFECFLFQGHG-UHFFFAOYSA-N 0 0 301.390 3.052 10 30 DGEERN C=CCOc1cccc(CNc2ccnn2C[C@@H]2CCOC2)c1 ZINC000236686876 1176488829 /nfs/dbraw/zinc/48/88/29/1176488829.db2.gz PMEDOFPHGDZCOH-INIZCTEOSA-N 0 0 313.401 3.097 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@H]1CCC[C@H](O)C1 ZINC000227695153 1176516143 /nfs/dbraw/zinc/51/61/43/1176516143.db2.gz MXVICTVRHYPVAC-GWCFXTLKSA-N 0 0 309.207 3.284 10 30 DGEERN N#Cc1cccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)c1 ZINC000585434603 1177014825 /nfs/dbraw/zinc/01/48/25/1177014825.db2.gz ZKHZFBDYZKCYSX-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C1CC1 ZINC000516482300 1177120491 /nfs/dbraw/zinc/12/04/91/1177120491.db2.gz MTCBGACSVDXZPL-UHFFFAOYSA-N 0 0 300.431 3.444 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cc(F)c(Br)cc1N ZINC000384875959 1177141015 /nfs/dbraw/zinc/14/10/15/1177141015.db2.gz SCHKRLFGIAANJE-UHFFFAOYSA-N 0 0 315.186 3.112 10 30 DGEERN CO[C@@H]1CCN(c2cc(Br)ccc2C#N)[C@H](C)C1 ZINC000385349164 1177160663 /nfs/dbraw/zinc/16/06/63/1177160663.db2.gz MWZNIYBKIZTEOE-ZWNOBZJWSA-N 0 0 309.207 3.324 10 30 DGEERN C=CCCCCNC(=O)c1cc(F)c(Br)cc1N ZINC000386303396 1177402590 /nfs/dbraw/zinc/40/25/90/1177402590.db2.gz FZVWXHDKWRDPSD-UHFFFAOYSA-N 0 0 315.186 3.257 10 30 DGEERN C=CCCCCNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000474095154 1177895159 /nfs/dbraw/zinc/89/51/59/1177895159.db2.gz JCTQNNZHFKWGMZ-HNNXBMFYSA-N 0 0 301.434 3.393 10 30 DGEERN CCCCCC[C@@H](C)NS(=O)(=O)c1cccc(F)c1C#N ZINC000070398069 1195867027 /nfs/dbraw/zinc/86/70/27/1195867027.db2.gz IADCZOZXLRLZJT-GFCCVEGCSA-N 0 0 312.410 3.335 10 30 DGEERN CCCC1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000070432282 1195868607 /nfs/dbraw/zinc/86/86/07/1195868607.db2.gz JHBHKTOPRHACJC-UHFFFAOYSA-N 0 0 306.431 3.068 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000364464775 1197698653 /nfs/dbraw/zinc/69/86/53/1197698653.db2.gz YXPYTIFMYAFQCH-IAGOWNOFSA-N 0 0 324.428 3.261 10 30 DGEERN CCCCCC(C)(C)CNS(=O)(=O)c1ccccc1C#N ZINC000094989248 1198819830 /nfs/dbraw/zinc/81/98/30/1198819830.db2.gz UAECHIANQVGARL-UHFFFAOYSA-N 0 0 308.447 3.443 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2ccc3c[nH]nc3c2)cc1 ZINC000114767069 1199716010 /nfs/dbraw/zinc/71/60/10/1199716010.db2.gz PZIMOUPWFZHTSW-UHFFFAOYSA-N 0 0 321.384 3.483 10 30 DGEERN CC(C)[C@@](C)(O)CNc1ccc(C#N)c(Br)c1F ZINC000311073650 1199734671 /nfs/dbraw/zinc/73/46/71/1199734671.db2.gz KOWWTYWJQNPIMS-ZDUSSCGKSA-N 0 0 315.186 3.279 10 30 DGEERN N#Cc1cc(Br)cnc1Oc1ccc([N+](=O)[O-])cc1 ZINC000312005866 1199747238 /nfs/dbraw/zinc/74/72/38/1199747238.db2.gz SJKXECQOEHVVGS-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN N#CCc1cccc(NC(=O)c2cccnc2Br)c1 ZINC000313451118 1199765078 /nfs/dbraw/zinc/76/50/78/1199765078.db2.gz RHENDBSORHDAEW-UHFFFAOYSA-N 0 0 316.158 3.162 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1cc2c(s1)CCCCCC2 ZINC000321198859 1199851437 /nfs/dbraw/zinc/85/14/37/1199851437.db2.gz GMRONRWPVGCAAK-AWEZNQCLSA-N 0 0 307.459 3.464 10 30 DGEERN N#Cc1ccc(Br)cc1N1CCCC[C@@H]1CCO ZINC000125106585 1200361682 /nfs/dbraw/zinc/36/16/82/1200361682.db2.gz ZMWLBTGCMBCZJG-CYBMUJFWSA-N 0 0 309.207 3.062 10 30 DGEERN C=CCO[C@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000136648364 1201213294 /nfs/dbraw/zinc/21/32/94/1201213294.db2.gz ICFDTVJAPUKZJL-JSGCOSHPSA-N 0 0 306.431 3.112 10 30 DGEERN COc1cc(OC(=O)c2cccc(SCC#N)c2)ccc1C#N ZINC000195175619 1201491844 /nfs/dbraw/zinc/49/18/44/1201491844.db2.gz YQTHSSSJYHTCNR-UHFFFAOYSA-N 0 0 324.361 3.402 10 30 DGEERN CCCCCCCCNC(=O)CCNC(=O)OC(C)(C)C ZINC000143726919 1202565805 /nfs/dbraw/zinc/56/58/05/1202565805.db2.gz DHFYEYHIOQCNGC-UHFFFAOYSA-N 0 0 300.443 3.378 10 30 DGEERN CCCCN(CCO)c1ccc(C#N)c(Br)c1F ZINC000231844678 1202600323 /nfs/dbraw/zinc/60/03/23/1202600323.db2.gz FNNDQIDEIJNZKR-UHFFFAOYSA-N 0 0 315.186 3.059 10 30 DGEERN C#Cc1cccc(NC(=O)c2cccc(Nc3cnccn3)c2)c1 ZINC000155396341 1202598722 /nfs/dbraw/zinc/59/87/22/1202598722.db2.gz WDMYEDXTHVYNFY-UHFFFAOYSA-N 0 0 314.348 3.454 10 30 DGEERN N#Cc1ccnnc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000231641686 1202599939 /nfs/dbraw/zinc/59/99/39/1202599939.db2.gz XLDCMBQEFZYFKW-UHFFFAOYSA-N 0 0 311.084 3.356 10 30 DGEERN CCOC(=O)C[C@@H](C)Nc1cc(Br)ccc1C#N ZINC000233988164 1202603261 /nfs/dbraw/zinc/60/32/61/1202603261.db2.gz DLVXCHQLMLMXIW-SECBINFHSA-N 0 0 311.179 3.074 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000185911903 1202878541 /nfs/dbraw/zinc/87/85/41/1202878541.db2.gz QXIJUPRLTMKTPT-MRXNPFEDSA-N 0 0 311.381 3.029 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCCNc1ncccc1C(F)(F)F ZINC000190736705 1203282688 /nfs/dbraw/zinc/28/26/88/1203282688.db2.gz NVJQYRNPCIMZNL-AWEZNQCLSA-N 0 0 315.339 3.231 10 30 DGEERN C/C=C\c1ccc(OCC(=O)O[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000255552256 1203847518 /nfs/dbraw/zinc/84/75/18/1203847518.db2.gz QTHQWLOQIKRHNW-LPUOJRKPSA-N 0 0 315.369 3.343 10 30 DGEERN CON=Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)cc1 ZINC000255564060 1203848235 /nfs/dbraw/zinc/84/82/35/1203848235.db2.gz ALNBAPYUOTUTJZ-CYBMUJFWSA-N 0 0 316.426 3.432 10 30 DGEERN CCNc1ncc(C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000050728388 1194612504 /nfs/dbraw/zinc/61/25/04/1194612504.db2.gz VSSOEXUYPWZCOK-UHFFFAOYSA-N 0 0 300.749 3.291 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc2c1OCCO2 ZINC000588409674 1082166865 /nfs/dbraw/zinc/16/68/65/1082166865.db2.gz MFLLNLHYMXBKMC-ALCCZGGFSA-N 0 0 312.321 3.068 10 30 DGEERN CCOC(=O)c1ccc(/C=C\C(=O)c2cc(O)ccc2OC)o1 ZINC000588409694 1082167976 /nfs/dbraw/zinc/16/79/76/1082167976.db2.gz OUSDAVIPYCKENL-ALCCZGGFSA-N 0 0 316.309 3.067 10 30 DGEERN C=CCN(C)C(=O)/C=C\c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000588524622 1082548917 /nfs/dbraw/zinc/54/89/17/1082548917.db2.gz DUQCTHOVUDRYCT-MEJMFZKBSA-N 0 0 301.386 3.066 10 30 DGEERN Cc1c(C(=O)/C=C\c2cocn2)nnn1-c1cccc(Cl)c1 ZINC000588578941 1082729476 /nfs/dbraw/zinc/72/94/76/1082729476.db2.gz SAQMQLNYGUTTFV-WAYWQWQTSA-N 0 0 314.732 3.113 10 30 DGEERN O=C1c2c(c(F)ccc2Br)C/C1=C/c1cocn1 ZINC000588580325 1082741248 /nfs/dbraw/zinc/74/12/48/1082741248.db2.gz ZOAQOEZPRSOYML-CLTKARDFSA-N 0 0 308.106 3.399 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588551849 1083190615 /nfs/dbraw/zinc/19/06/15/1083190615.db2.gz WOEUIEXQFPXBSG-CGQZWFTASA-N 0 0 319.357 3.380 10 30 DGEERN C#CCN(C(=O)CCCc1cc(F)ccc1F)c1nccs1 ZINC000090632711 1093103060 /nfs/dbraw/zinc/10/30/60/1093103060.db2.gz XWMNMBGFUDRNNC-UHFFFAOYSA-N 0 0 320.364 3.410 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 ZINC000179887658 1093819648 /nfs/dbraw/zinc/81/96/48/1093819648.db2.gz HPTYHYWPAMQBQW-DOMZBBRYSA-N 0 0 315.369 3.491 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 ZINC000179887610 1093819705 /nfs/dbraw/zinc/81/97/05/1093819705.db2.gz HPTYHYWPAMQBQW-SWLSCSKDSA-N 0 0 315.369 3.491 10 30 DGEERN C=CCC[C@H](CO)Nc1ccc(C#N)c(Br)c1F ZINC000320328358 1095625519 /nfs/dbraw/zinc/62/55/19/1095625519.db2.gz YAKBCPNQPAOEMG-SNVBAGLBSA-N 0 0 313.170 3.199 10 30 DGEERN COCCCCNc1ccc(C#N)c(Br)c1F ZINC000231845504 1095807946 /nfs/dbraw/zinc/80/79/46/1095807946.db2.gz BJAVQYCYAMUYTI-UHFFFAOYSA-N 0 0 301.159 3.298 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)Cc1ccc(CCCC)cc1 ZINC000321805888 1096357022 /nfs/dbraw/zinc/35/70/22/1096357022.db2.gz ZSYYSGHHKLIFKW-UHFFFAOYSA-N 0 0 317.429 3.149 10 30 DGEERN C#CCN(C(=O)Cc1cccc(OCCC)c1)c1nccs1 ZINC000151087251 1099448825 /nfs/dbraw/zinc/44/88/25/1099448825.db2.gz KSCVVGSVSZGVHD-UHFFFAOYSA-N 0 0 314.410 3.141 10 30 DGEERN C#C[C@](C)(CC)NC(=O)c1cc(C)c(Br)s1 ZINC000384204383 1105505456 /nfs/dbraw/zinc/50/54/56/1105505456.db2.gz MSKVZECQYFJCNA-GFCCVEGCSA-N 0 0 300.221 3.351 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000278290276 214070532 /nfs/dbraw/zinc/07/05/32/214070532.db2.gz RCOJRFPYBAYLFR-ZWNOBZJWSA-N 0 0 315.291 3.347 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000278453235 214163171 /nfs/dbraw/zinc/16/31/71/214163171.db2.gz XHDUENHVEHZXND-AWEZNQCLSA-N 0 0 302.418 3.362 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128091 432004172 /nfs/dbraw/zinc/00/41/72/432004172.db2.gz GFAHZXGHYGEPRH-AWEZNQCLSA-N 0 0 300.402 3.116 10 30 DGEERN N#Cc1cccc(C(=O)N2CCn3c(cc4ccccc43)C2)c1 ZINC000062616518 432004269 /nfs/dbraw/zinc/00/42/69/432004269.db2.gz YOWQUZWXBDTLQV-UHFFFAOYSA-N 0 0 301.349 3.169 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000088520795 185254669 /nfs/dbraw/zinc/25/46/69/185254669.db2.gz ZGHUSIFAAQBHMS-GFCCVEGCSA-N 0 0 318.373 3.045 10 30 DGEERN CCc1cnccc1[C@@H](C)NC(=O)NCC1CCC(C#N)CC1 ZINC000441039131 529676014 /nfs/dbraw/zinc/67/60/14/529676014.db2.gz VNTMPIZATOJGTN-WLYUNCDWSA-N 0 0 314.433 3.334 10 30 DGEERN CN1C[C@@H](CNC(=O)c2ncoc2C2CC2)Cc2ccccc21 ZINC000329012919 529817086 /nfs/dbraw/zinc/81/70/86/529817086.db2.gz PEELPIMMMRVXEN-GFCCVEGCSA-N 0 0 311.385 3.165 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)N3CCC34CCC4)cc2o1 ZINC000328832732 282316717 /nfs/dbraw/zinc/31/67/17/282316717.db2.gz VQLWKTLNCFGIPK-UHFFFAOYSA-N 0 0 300.362 3.068 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000279409792 214860555 /nfs/dbraw/zinc/86/05/55/214860555.db2.gz HKYSDEZJEBDWBJ-VIFPVBQESA-N 0 0 303.736 3.216 10 30 DGEERN C[C@@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCOCC1 ZINC000129940755 432011566 /nfs/dbraw/zinc/01/15/66/432011566.db2.gz SENIOOSZMQVZEZ-SNVBAGLBSA-N 0 0 324.327 3.161 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000450062761 282566244 /nfs/dbraw/zinc/56/62/44/282566244.db2.gz REMGNXUQKMBYTB-UHFFFAOYSA-N 0 0 305.381 3.369 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(CC#N)c1 ZINC000066710343 432019968 /nfs/dbraw/zinc/01/99/68/432019968.db2.gz PYLAHWFRSGKBNQ-BEFAXECRSA-N 0 0 320.392 3.355 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000129927735 185922455 /nfs/dbraw/zinc/92/24/55/185922455.db2.gz BFFFQRDHAZMYER-RDTXWAMCSA-N 0 0 308.381 3.109 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000083578625 192374376 /nfs/dbraw/zinc/37/43/76/192374376.db2.gz UJMQPXCLAQPPAP-UHFFFAOYSA-N 0 0 303.406 3.127 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000155883369 186119986 /nfs/dbraw/zinc/11/99/86/186119986.db2.gz NRNAOBIWDXMTAQ-KRWDZBQOSA-N 0 0 324.380 3.281 10 30 DGEERN CC(C)c1nnc2n1C[C@@H](Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000171887546 198000850 /nfs/dbraw/zinc/00/08/50/198000850.db2.gz XSFGERLXWWFBLI-ZDUSSCGKSA-N 0 0 315.808 3.353 10 30 DGEERN C=C(CSc1nnc(-c2cccs2)n1CC)C(=O)OCC ZINC000172291809 198072041 /nfs/dbraw/zinc/07/20/41/198072041.db2.gz DNAUUBRZSWQFIY-UHFFFAOYSA-N 0 0 323.443 3.238 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000172554341 198114746 /nfs/dbraw/zinc/11/47/46/198114746.db2.gz QULSBIPLNWCAPU-FUHWJXTLSA-N 0 0 314.429 3.021 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173913941 198268760 /nfs/dbraw/zinc/26/87/60/198268760.db2.gz SPCHQXVPNYVKPO-LSDHHAIUSA-N 0 0 313.401 3.031 10 30 DGEERN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C#N)cn1 ZINC000107479592 432032723 /nfs/dbraw/zinc/03/27/23/432032723.db2.gz AJQSXIXHXQCVML-UHFFFAOYSA-N 0 0 303.724 3.018 10 30 DGEERN Cc1ccc(NC(=S)N/N=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000004466273 181111544 /nfs/dbraw/zinc/11/15/44/181111544.db2.gz FLCKCDBTHAPPQI-YBEGLDIGSA-N 0 0 314.370 3.224 10 30 DGEERN N#CC1(c2ccccc2)CC(Nc2ccc(N3CCC3=O)cc2)C1 ZINC000366966452 283049235 /nfs/dbraw/zinc/04/92/35/283049235.db2.gz ODRIYYZPXJDURK-UHFFFAOYSA-N 0 0 317.392 3.459 10 30 DGEERN CCN(Cc1ccccc1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000132065934 432044492 /nfs/dbraw/zinc/04/44/92/432044492.db2.gz WVIDRGHWISJDII-SFHVURJKSA-N 0 0 308.381 3.294 10 30 DGEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004923045 181174035 /nfs/dbraw/zinc/17/40/35/181174035.db2.gz POHLIPDWBCOXAF-XNTDXEJSSA-N 0 0 300.274 3.339 10 30 DGEERN COc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000004923037 181173675 /nfs/dbraw/zinc/17/36/75/181173675.db2.gz SZXYTJSRSCPCKX-MHWRWJLKSA-N 0 0 301.302 3.145 10 30 DGEERN N#Cc1cc(C(=O)N2CC3(CCCC3)c3ccccc32)ccn1 ZINC000193472137 283088918 /nfs/dbraw/zinc/08/89/18/283088918.db2.gz LNZONOHZDDJDGZ-UHFFFAOYSA-N 0 0 303.365 3.425 10 30 DGEERN C[C@H](NC(=O)CSc1cc(C#N)ccn1)c1ccc(F)cc1 ZINC000077907179 191793830 /nfs/dbraw/zinc/79/38/30/191793830.db2.gz NIOOCBBYLKYEBT-NSHDSACASA-N 0 0 315.373 3.062 10 30 DGEERN COCOc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005210158 181217072 /nfs/dbraw/zinc/21/70/72/181217072.db2.gz FOUPFKLYHILZSF-DHZHZOJOSA-N 0 0 313.309 3.474 10 30 DGEERN C#CCCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000177239506 198692201 /nfs/dbraw/zinc/69/22/01/198692201.db2.gz WWJCXHYBXBKYBI-UHFFFAOYSA-N 0 0 313.376 3.178 10 30 DGEERN C[N@H+](CCCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000179317073 432053643 /nfs/dbraw/zinc/05/36/43/432053643.db2.gz QTHFGZCHHVESJG-UHFFFAOYSA-N 0 0 304.397 3.271 10 30 DGEERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3ccccc3C#N)CCO2)o1 ZINC000179338230 432054465 /nfs/dbraw/zinc/05/44/65/432054465.db2.gz LJCFLGLJZXDRIU-KOEDOTQGSA-N 0 0 322.364 3.073 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132919174 432055288 /nfs/dbraw/zinc/05/52/88/432055288.db2.gz NKQYEEBUTBDBQK-INIZCTEOSA-N 0 0 322.412 3.140 10 30 DGEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C1CCOCC1 ZINC000179359997 432055787 /nfs/dbraw/zinc/05/57/87/432055787.db2.gz LKSRDPSJUVCXKI-LLVKDONJSA-N 0 0 318.442 3.500 10 30 DGEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000005788318 181284125 /nfs/dbraw/zinc/28/41/25/181284125.db2.gz BZWQBXJTMUKYIG-GZTJUZNOSA-N 0 0 313.313 3.202 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@H]2CCc3cc(F)ccc32)cn1 ZINC000186028411 283217428 /nfs/dbraw/zinc/21/74/28/283217428.db2.gz RHYVTGBFVSVKFO-KRWDZBQOSA-N 0 0 319.343 3.377 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@H]2CCc3ccc(F)cc32)cn1 ZINC000186028363 283217626 /nfs/dbraw/zinc/21/76/26/283217626.db2.gz PVBLLEKOLAUGKL-KRWDZBQOSA-N 0 0 319.343 3.377 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)NCc1ccc(Cl)cn1 ZINC000179702349 432068491 /nfs/dbraw/zinc/06/84/91/432068491.db2.gz DUQVSIXCUVAYSZ-UHFFFAOYSA-N 0 0 300.749 3.237 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(Br)n1 ZINC000179484081 199043239 /nfs/dbraw/zinc/04/32/39/199043239.db2.gz XANREHRRWCXQGF-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN C=CCCC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000170665867 432076500 /nfs/dbraw/zinc/07/65/00/432076500.db2.gz BPBZVQYEKFLQIT-CQSZACIVSA-N 0 0 303.431 3.440 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)s1 ZINC000180810390 199211731 /nfs/dbraw/zinc/21/17/31/199211731.db2.gz DEZSCQJOMKPBAI-BDJLRTHQSA-N 0 0 320.364 3.206 10 30 DGEERN N#Cc1c(N)cccc1[S@@](=O)c1ccccc1Br ZINC000005933973 181297755 /nfs/dbraw/zinc/29/77/55/181297755.db2.gz BGKZVMNDCKQCSL-SFHVURJKSA-N 0 0 321.199 3.070 10 30 DGEERN C=C(C)CN(C)C(=O)c1ccccc1SCc1nc(C)no1 ZINC000180455648 432087199 /nfs/dbraw/zinc/08/71/99/432087199.db2.gz KFTKQENZGSGHKE-UHFFFAOYSA-N 0 0 317.414 3.318 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000435991950 238379780 /nfs/dbraw/zinc/37/97/80/238379780.db2.gz GDCXMBJOJCJYBW-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cc(C#N)ccn1 ZINC000435997404 238382441 /nfs/dbraw/zinc/38/24/41/238382441.db2.gz SVENYJBAROXEQH-LLVKDONJSA-N 0 0 315.373 3.459 10 30 DGEERN Cc1cc(OCC(=O)Nc2cc(C#N)ccn2)cc(C)c1Cl ZINC000436013882 238383218 /nfs/dbraw/zinc/38/32/18/238383218.db2.gz OWZRLDLVMJGSDH-UHFFFAOYSA-N 0 0 315.760 3.241 10 30 DGEERN C[C@H]1Sc2ccccc2N(C(=O)c2ccnc(C#N)c2)[C@H]1C ZINC000193661776 291263773 /nfs/dbraw/zinc/26/37/73/291263773.db2.gz OGPOTFAUUOVRHL-NWDGAFQWSA-N 0 0 309.394 3.483 10 30 DGEERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2)c1 ZINC000193802061 201126356 /nfs/dbraw/zinc/12/63/56/201126356.db2.gz VYHUNTKGOVLNIF-INIZCTEOSA-N 0 0 305.381 3.200 10 30 DGEERN Cc1csc([C@H](C)NC(=O)NCC2CCC(C#N)CC2)n1 ZINC000441047026 239002409 /nfs/dbraw/zinc/00/24/09/239002409.db2.gz FKGJKDZSMDRRIR-HIFPTAJRSA-N 0 0 306.435 3.142 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CN1CCCCC1=O ZINC000189869877 432099068 /nfs/dbraw/zinc/09/90/68/432099068.db2.gz FKBTUZNERPANFQ-UHFFFAOYSA-N 0 0 314.429 3.490 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000073078012 283767264 /nfs/dbraw/zinc/76/72/64/283767264.db2.gz LQCKRYLXRLYMLJ-ZDUSSCGKSA-N 0 0 308.385 3.297 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000448848320 239907825 /nfs/dbraw/zinc/90/78/25/239907825.db2.gz ZAGMBSBLOAELFK-XWIAVFTESA-N 0 0 315.413 3.418 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000448941809 239940859 /nfs/dbraw/zinc/94/08/59/239940859.db2.gz OPEZASBSSSSFQL-MRXNPFEDSA-N 0 0 320.396 3.189 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1nn2c(c1C)OCCC2 ZINC000448966379 239948609 /nfs/dbraw/zinc/94/86/09/239948609.db2.gz FULCQSJKXOMWMR-UHFFFAOYSA-N 0 0 317.433 3.183 10 30 DGEERN C=CCOc1ccc(CNCc2cnc(CC)o2)cc1OC ZINC000449608042 240316872 /nfs/dbraw/zinc/31/68/72/240316872.db2.gz DOELKFSQQLVETP-UHFFFAOYSA-N 0 0 302.374 3.100 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000449916411 240478707 /nfs/dbraw/zinc/47/87/07/240478707.db2.gz BLSLLYIGVCOVEA-UHFFFAOYSA-N 0 0 313.788 3.012 10 30 DGEERN CC(C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451151742 241022651 /nfs/dbraw/zinc/02/26/51/241022651.db2.gz ZNVHIOQSKPRDHQ-INIZCTEOSA-N 0 0 324.421 3.038 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2noc(COCC)n2)CCCCC1 ZINC000451872240 241260965 /nfs/dbraw/zinc/26/09/65/241260965.db2.gz XFDIAQYSJIEQHR-ZDUSSCGKSA-N 0 0 321.421 3.310 10 30 DGEERN CCc1ccc([C@H]2CCCN(C(=O)c3ccc(C#N)n3C)C2)cc1 ZINC000451712359 241214389 /nfs/dbraw/zinc/21/43/89/241214389.db2.gz PWOIKWZGTWTYKQ-KRWDZBQOSA-N 0 0 321.424 3.479 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451831891 241251155 /nfs/dbraw/zinc/25/11/55/241251155.db2.gz FPACRQWYVXPAPS-KRWDZBQOSA-N 0 0 300.402 3.007 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000452144395 241330806 /nfs/dbraw/zinc/33/08/06/241330806.db2.gz GEPZIWBTPOUATD-KRWDZBQOSA-N 0 0 305.381 3.264 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000452142158 241328955 /nfs/dbraw/zinc/32/89/55/241328955.db2.gz LMBXVHUHIGDGAM-CKEIUWERSA-N 0 0 307.397 3.303 10 30 DGEERN CCc1ccc([C@@H]2CCN(C(=O)c3ccc(C#N)n3C)C2)cc1 ZINC000452161999 241335770 /nfs/dbraw/zinc/33/57/70/241335770.db2.gz PMLIYNANKDCMJF-MRXNPFEDSA-N 0 0 307.397 3.089 10 30 DGEERN C=CCn1c(N2CCc3ccccc32)nnc1[C@@]1(C)CCCO1 ZINC000453439909 241787519 /nfs/dbraw/zinc/78/75/19/241787519.db2.gz MLORVVTWYKDDEI-GOSISDBHSA-N 0 0 310.401 3.184 10 30 DGEERN C=C(C)Cn1c(N2CCCC3(CC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453470863 241797744 /nfs/dbraw/zinc/79/77/44/241797744.db2.gz RFXSEEFHVKXLGY-QGZVFWFLSA-N 0 0 316.449 3.260 10 30 DGEERN C=CC(C)(C)CNC(=O)C(=O)Nc1csc2ccccc12 ZINC000453881564 241856968 /nfs/dbraw/zinc/85/69/68/241856968.db2.gz PHTUALGJELZBGT-UHFFFAOYSA-N 0 0 302.399 3.168 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@@H]1COCC1(C)C)c1ccc(F)c(F)c1 ZINC000454820678 242042342 /nfs/dbraw/zinc/04/23/42/242042342.db2.gz UXVIIADDCMLSQT-HUUCEWRRSA-N 0 0 324.371 3.306 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000454713651 242017075 /nfs/dbraw/zinc/01/70/75/242017075.db2.gz KALNSSHJZYIUHQ-INIZCTEOSA-N 0 0 306.381 3.095 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000455098130 242107863 /nfs/dbraw/zinc/10/78/63/242107863.db2.gz UCBBBWYYFBXWMM-UHFFFAOYSA-N 0 0 305.765 3.476 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000455359832 242180384 /nfs/dbraw/zinc/18/03/84/242180384.db2.gz AVTOLSOGCJZCOP-XJKSGUPXSA-N 0 0 302.418 3.232 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000456600355 242502740 /nfs/dbraw/zinc/50/27/40/242502740.db2.gz BPWYYNVDIWPNRX-RRFJBIMHSA-N 0 0 314.429 3.071 10 30 DGEERN C=C(CC)CNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000456825012 242567446 /nfs/dbraw/zinc/56/74/46/242567446.db2.gz GDIPYIQNVBMTQC-UHFFFAOYSA-N 0 0 304.777 3.349 10 30 DGEERN COc1ccc(CSCc2nnc(C)n2C2CC2)cc1C#N ZINC000091619228 284002387 /nfs/dbraw/zinc/00/23/87/284002387.db2.gz LGFJREWVKUVOAM-UHFFFAOYSA-N 0 0 314.414 3.235 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458025502 242942899 /nfs/dbraw/zinc/94/28/99/242942899.db2.gz KMIJDENJUAHCQE-DLBZAZTESA-N 0 0 307.397 3.305 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CCCC(F)(F)C2)cc1F ZINC000458557858 243089633 /nfs/dbraw/zinc/08/96/33/243089633.db2.gz LVVIXPQYXUVCFC-GFCCVEGCSA-N 0 0 311.307 3.074 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@@H](CO)[C@@H]1CC)c1ccccc1 ZINC000458573661 243094510 /nfs/dbraw/zinc/09/45/10/243094510.db2.gz MIAMIFAQWWNWBM-BZSNNMDCSA-N 0 0 316.445 3.496 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000458741436 243145594 /nfs/dbraw/zinc/14/55/94/243145594.db2.gz STMIRNDKDASOMX-LBPRGKRZSA-N 0 0 321.387 3.009 10 30 DGEERN C=C(C)CCNC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000459009179 243225793 /nfs/dbraw/zinc/22/57/93/243225793.db2.gz UZXHLOZTZASQGB-MRXNPFEDSA-N 0 0 301.434 3.263 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cnc(CC)o1 ZINC000459047500 243236780 /nfs/dbraw/zinc/23/67/80/243236780.db2.gz HRVHERITNKQJBM-UHFFFAOYSA-N 0 0 324.384 3.006 10 30 DGEERN C=C(C)CN(CC)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460213243 243531597 /nfs/dbraw/zinc/53/15/97/243531597.db2.gz UHLYDNQTMSLDHO-UHFFFAOYSA-N 0 0 315.377 3.276 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@H]2Cc3ccccc3O2)n1CC ZINC000460292177 243538956 /nfs/dbraw/zinc/53/89/56/243538956.db2.gz ZYRQEPXDIVMLCC-MRXNPFEDSA-N 0 0 312.417 3.377 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)Cc1cc(C)on1 ZINC000283342517 335003928 /nfs/dbraw/zinc/00/39/28/335003928.db2.gz ROMVTEHSCMUPDI-UHFFFAOYSA-N 0 0 317.437 3.376 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000468988540 244079076 /nfs/dbraw/zinc/07/90/76/244079076.db2.gz LXSHXDPDGNLLAM-OAHLLOKOSA-N 0 0 317.763 3.463 10 30 DGEERN CC(C)C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000469269648 244093270 /nfs/dbraw/zinc/09/32/70/244093270.db2.gz YYNXDCSELZAITN-CYBMUJFWSA-N 0 0 324.421 3.144 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)o1 ZINC000093080886 193200882 /nfs/dbraw/zinc/20/08/82/193200882.db2.gz JYMNVOWNNGTKHU-MRXNPFEDSA-N 0 0 302.761 3.378 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000472168904 244285319 /nfs/dbraw/zinc/28/53/19/244285319.db2.gz DVDNQVCJVJGHQC-IAGOWNOFSA-N 0 0 302.418 3.342 10 30 DGEERN N#Cc1ccc(C2(C(=O)NC/C=C\c3ccccc3)CC2)cc1 ZINC000473601815 244341881 /nfs/dbraw/zinc/34/18/81/244341881.db2.gz XROXWQLTDIMKHN-DAXSKMNVSA-N 0 0 302.377 3.419 10 30 DGEERN C=CCc1cc(CNC(=O)[C@H]2C[C@@H]2C(C)C)cc(OC)c1OC ZINC000475348665 244469309 /nfs/dbraw/zinc/46/93/09/244469309.db2.gz MPJDJVOOOSDYIH-CVEARBPZSA-N 0 0 317.429 3.341 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000481358581 244756779 /nfs/dbraw/zinc/75/67/79/244756779.db2.gz LFVSLFFDXFPANN-LJQANCHMSA-N 0 0 317.429 3.313 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000487676424 245091214 /nfs/dbraw/zinc/09/12/14/245091214.db2.gz RWJHJDWHWOPDLR-GFCCVEGCSA-N 0 0 301.390 3.065 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000124363363 284258092 /nfs/dbraw/zinc/25/80/92/284258092.db2.gz ULQCBTWXDZTILF-UHFFFAOYSA-N 0 0 321.336 3.368 10 30 DGEERN C=C(C)CN1c2ccc(NC(=O)CCC)cc2O[C@@H](C)C1=O ZINC000012295948 181746194 /nfs/dbraw/zinc/74/61/94/181746194.db2.gz URNCAFYLMRHHFF-LBPRGKRZSA-N 0 0 302.374 3.115 10 30 DGEERN C=CCN(C(=O)Nc1cc(-c2ccsc2)nn1C)C1CC1 ZINC000490175260 245385706 /nfs/dbraw/zinc/38/57/06/245385706.db2.gz CFDYIQQSMLXLDM-UHFFFAOYSA-N 0 0 302.403 3.331 10 30 DGEERN COCCNC(=S)NN=C(C)c1ccc(Cl)c(Cl)c1 ZINC000013684048 181878905 /nfs/dbraw/zinc/87/89/05/181878905.db2.gz FBEUXTNGJCXXLK-LZYBPNLTSA-N 0 0 320.245 3.239 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000126760297 284315749 /nfs/dbraw/zinc/31/57/49/284315749.db2.gz IAOYPOBHMLIPDY-CYBMUJFWSA-N 0 0 324.355 3.397 10 30 DGEERN C=CCN(C)C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000491031497 245458431 /nfs/dbraw/zinc/45/84/31/245458431.db2.gz CXSFYYOHVYQKIU-LJQANCHMSA-N 0 0 306.409 3.435 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1cc(F)ccc1F ZINC000127234188 284332044 /nfs/dbraw/zinc/33/20/44/284332044.db2.gz MSCUNYYJEGZOHM-UHFFFAOYSA-N 0 0 300.308 3.117 10 30 DGEERN C=CCC[C@H](C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000097375198 193713338 /nfs/dbraw/zinc/71/33/38/193713338.db2.gz IICIIYVCGVSXLN-JTQLQIEISA-N 0 0 302.827 3.478 10 30 DGEERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)cn2)o1 ZINC000128489910 284377393 /nfs/dbraw/zinc/37/73/93/284377393.db2.gz IPSBAOGDQGPWOQ-MRXNPFEDSA-N 0 0 309.369 3.476 10 30 DGEERN CCOCc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000161197343 197473587 /nfs/dbraw/zinc/47/35/87/197473587.db2.gz DNQNJGKGTPOFQC-UHFFFAOYSA-N 0 0 308.381 3.333 10 30 DGEERN ON=C1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000019422315 182122642 /nfs/dbraw/zinc/12/26/42/182122642.db2.gz QLMIDAXGRMTXJG-UHFFFAOYSA-N 0 0 301.159 3.014 10 30 DGEERN N/C(=N\O)c1ccccc1OCc1ccccc1Br ZINC000019425295 182122649 /nfs/dbraw/zinc/12/26/49/182122649.db2.gz RORVNBGJXKNVOJ-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C=CCN1c2cc(-c3csc(C)n3)ccc2O[C@H](C)C1=O ZINC000020163496 182193876 /nfs/dbraw/zinc/19/38/76/182193876.db2.gz WBDBKICGGFFKLF-SNVBAGLBSA-N 0 0 300.383 3.418 10 30 DGEERN C[C@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCOCC1 ZINC000129940564 284427773 /nfs/dbraw/zinc/42/77/73/284427773.db2.gz SENIOOSZMQVZEZ-JTQLQIEISA-N 0 0 324.327 3.161 10 30 DGEERN N#C[C@@H](C(=O)NC1CCCCC1)C(=S)Nc1ccccc1 ZINC000022130360 182310115 /nfs/dbraw/zinc/31/01/15/182310115.db2.gz XBAMGOPCVTZYJS-AWEZNQCLSA-N 0 0 301.415 3.015 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000136178294 284496150 /nfs/dbraw/zinc/49/61/50/284496150.db2.gz FLAOVOFYXQTANH-UHFFFAOYSA-N 0 0 314.776 3.377 10 30 DGEERN COc1cccc([C@H]2C[C@@H](O)CN2c2cccc(F)c2C#N)c1 ZINC000283517323 217651772 /nfs/dbraw/zinc/65/17/72/217651772.db2.gz MVPQYGHHMWBORL-FZKQIMNGSA-N 0 0 312.344 3.018 10 30 DGEERN CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(C)o2)cc1 ZINC000100191633 193796236 /nfs/dbraw/zinc/79/62/36/193796236.db2.gz YTIYYUZYMVWORV-SFQUDFHCSA-N 0 0 320.414 3.369 10 30 DGEERN Cc1nnc([C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)[nH]1 ZINC000181672064 432141967 /nfs/dbraw/zinc/14/19/67/432141967.db2.gz RDTSTLVTHZJBCE-ACJLOTCBSA-N 0 0 317.396 3.425 10 30 DGEERN CN(C[C@H]1CCCO1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101690992 193835806 /nfs/dbraw/zinc/83/58/06/193835806.db2.gz NNFAFSVGKDXJGK-MRXNPFEDSA-N 0 0 320.392 3.476 10 30 DGEERN CC(C)Nc1nc(N=NCc2ccccc2)nc(C(F)(F)F)n1 ZINC000038796671 183010286 /nfs/dbraw/zinc/01/02/86/183010286.db2.gz HXRDJYAUHSNLNV-QGMBQPNBSA-N 0 0 324.310 3.157 10 30 DGEERN C=CCNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040708987 183120448 /nfs/dbraw/zinc/12/04/48/183120448.db2.gz MPBMKHUUUMEBEF-UHFFFAOYSA-N 0 0 309.295 3.419 10 30 DGEERN C=CCNc1ncnc(Nc2ccccc2OCC)c1[N+](=O)[O-] ZINC000040599030 183108216 /nfs/dbraw/zinc/10/82/16/183108216.db2.gz WFAHHCULEXDJPN-UHFFFAOYSA-N 0 0 315.333 3.125 10 30 DGEERN Cc1ccc2c(c1)c1nnc(N=NCc3ccccc3)nc1n2C ZINC000040827505 183138405 /nfs/dbraw/zinc/13/84/05/183138405.db2.gz QOAWUFDVUFWOTC-YBFXNURJSA-N 0 0 316.368 3.271 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000153322238 284666883 /nfs/dbraw/zinc/66/68/83/284666883.db2.gz XPGHIOXCCMGTCA-ZDUSSCGKSA-N 0 0 315.417 3.381 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)C1CCOCC1 ZINC000153322352 284666892 /nfs/dbraw/zinc/66/68/92/284666892.db2.gz XPGHIOXCCMGTCA-CYBMUJFWSA-N 0 0 315.417 3.381 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000105897144 194162044 /nfs/dbraw/zinc/16/20/44/194162044.db2.gz JBXFUMHJVMZDPX-MRXNPFEDSA-N 0 0 312.392 3.293 10 30 DGEERN N#Cc1cnc(Sc2nnc(-c3ccccc3Cl)o2)cn1 ZINC000106462806 194217013 /nfs/dbraw/zinc/21/70/13/194217013.db2.gz NERQSWLRKQSHLB-UHFFFAOYSA-N 0 0 315.745 3.203 10 30 DGEERN C=CCCCN(C)C(=O)C1(C(=O)N(C)CCCC=C)CCC1 ZINC000268588135 206817337 /nfs/dbraw/zinc/81/73/37/206817337.db2.gz ULBUXXBOHQTQMH-UHFFFAOYSA-N 0 0 306.450 3.006 10 30 DGEERN N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)nc1 ZINC000110286876 194320004 /nfs/dbraw/zinc/32/00/04/194320004.db2.gz JTOLOFDRHKUMMI-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000110370583 194326696 /nfs/dbraw/zinc/32/66/96/194326696.db2.gz BGCMGTBBYKRWSV-PBHICJAKSA-N 0 0 320.392 3.172 10 30 DGEERN COc1ccc([C@H](C)NC(=O)C2(C#N)CCCCC2)cc1F ZINC000057384485 184036708 /nfs/dbraw/zinc/03/67/08/184036708.db2.gz NWQDXPWYKVBZDV-LBPRGKRZSA-N 0 0 304.365 3.486 10 30 DGEERN N#C[C@@H](C(=O)C1CCOCC1)c1cccc(Br)c1 ZINC000061672474 184181936 /nfs/dbraw/zinc/18/19/36/184181936.db2.gz OPIDWNJIRLEHSC-CYBMUJFWSA-N 0 0 308.175 3.052 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892220 184192954 /nfs/dbraw/zinc/19/29/54/184192954.db2.gz OKMWVAHERGOLNT-CMPLNLGQSA-N 0 0 324.178 3.139 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000066179622 184395130 /nfs/dbraw/zinc/39/51/30/184395130.db2.gz JVMWEXPSXDBMQQ-YOEHRIQHSA-N 0 0 315.417 3.046 10 30 DGEERN CCc1sc(C(=O)NCCOc2ccc(C#N)cc2)cc1C ZINC000173905210 252664950 /nfs/dbraw/zinc/66/49/50/252664950.db2.gz WFHVRTFADGTEOX-UHFFFAOYSA-N 0 0 314.410 3.299 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000176903648 252710693 /nfs/dbraw/zinc/71/06/93/252710693.db2.gz ZFAJPGZGLNCZKP-DUXPYHPUSA-N 0 0 324.355 3.296 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119076797 194968402 /nfs/dbraw/zinc/96/84/02/194968402.db2.gz KYRRZAVBQXBALA-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN CO[C@@H](C)CNc1c(Br)cc(Cl)cc1C#N ZINC000336772090 253001397 /nfs/dbraw/zinc/00/13/97/253001397.db2.gz VDNMPWYBJANZQN-ZETCQYMHSA-N 0 0 303.587 3.421 10 30 DGEERN Cc1cnc([C@@H](C)NCc2ccc(Br)cc2C#N)o1 ZINC000336814792 253002526 /nfs/dbraw/zinc/00/25/26/253002526.db2.gz YCOBIEDMGUSQSK-SNVBAGLBSA-N 0 0 320.190 3.468 10 30 DGEERN Cc1cnc([C@H](C)NCc2ccc(Br)cc2C#N)o1 ZINC000336814791 253003283 /nfs/dbraw/zinc/00/32/83/253003283.db2.gz YCOBIEDMGUSQSK-JTQLQIEISA-N 0 0 320.190 3.468 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cc(OC)c(OC)cc1C)OCC ZINC000270156321 208215332 /nfs/dbraw/zinc/21/53/32/208215332.db2.gz XKWIZVWMLWSOGU-AWEZNQCLSA-N 0 0 307.390 3.322 10 30 DGEERN C=C[C@H](CC(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 ZINC000270206296 208272956 /nfs/dbraw/zinc/27/29/56/208272956.db2.gz FJXMJFQQKVJBIU-OAHLLOKOSA-N 0 0 310.397 3.380 10 30 DGEERN N#Cc1ccc(F)c(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000157858897 197221729 /nfs/dbraw/zinc/22/17/29/197221729.db2.gz MYNUTWRIIHFBKY-OAHLLOKOSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343234388 254118729 /nfs/dbraw/zinc/11/87/29/254118729.db2.gz JSPSTPIIKKJVKE-CXAGYDPISA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1F ZINC000343556728 254160104 /nfs/dbraw/zinc/16/01/04/254160104.db2.gz LERCWBOIOYTUSL-WMZOPIPTSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1F ZINC000343769764 254186214 /nfs/dbraw/zinc/18/62/14/254186214.db2.gz JZGFCNJADDPZIJ-AEFFLSMTSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1ccc(NC(=O)C2CCC(=O)CC2)cc1Br ZINC000344583832 254284873 /nfs/dbraw/zinc/28/48/73/254284873.db2.gz HBMCFKSIKKNTKI-UHFFFAOYSA-N 0 0 321.174 3.019 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000156147583 197089767 /nfs/dbraw/zinc/08/97/67/197089767.db2.gz OQMVWYQKGYWTES-SFHVURJKSA-N 0 0 320.392 3.110 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000184354930 533163046 /nfs/dbraw/zinc/16/30/46/533163046.db2.gz BBAJHNXZWMOWNR-SWLSCSKDSA-N 0 0 323.352 3.233 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000155241168 197035456 /nfs/dbraw/zinc/03/54/56/197035456.db2.gz JDOAZUJXKZDHNX-MRXNPFEDSA-N 0 0 302.761 3.378 10 30 DGEERN Cc1cc(N2CCO[C@@]3(CCc4ccccc43)C2)c(C#N)c(C)n1 ZINC000157868684 291938143 /nfs/dbraw/zinc/93/81/43/291938143.db2.gz OBONAMCVUAXOGI-FQEVSTJZSA-N 0 0 319.408 3.248 10 30 DGEERN CCc1noc(C)c1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000120920327 195263837 /nfs/dbraw/zinc/26/38/37/195263837.db2.gz TVZSPJBVYJNPCP-UHFFFAOYSA-N 0 0 313.357 3.213 10 30 DGEERN C[C@@]12CC[C@@H]3[C@H](C[C@@]4(CO4)C4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000503943454 257151603 /nfs/dbraw/zinc/15/16/03/257151603.db2.gz GFNJDRLFFJDJAC-LPHWDNJQSA-N 0 0 312.409 3.242 10 30 DGEERN Cc1cc(Br)c2ccnc(C(N)=NO)c2c1Cl ZINC000521401632 257234287 /nfs/dbraw/zinc/23/42/87/257234287.db2.gz YDZXTZUBAGHDPI-UHFFFAOYSA-N 0 0 314.570 3.054 10 30 DGEERN CCCO[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000121823809 195355201 /nfs/dbraw/zinc/35/52/01/195355201.db2.gz DTEHYINUHHIPBV-MRXNPFEDSA-N 0 0 300.402 3.288 10 30 DGEERN Cc1cccc(NC(=O)c2cc(C#N)cn2C)c1Br ZINC000122036187 195392599 /nfs/dbraw/zinc/39/25/99/195392599.db2.gz NTNRSUZKPRRNTN-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)C1CCOCC1 ZINC000122306006 195431504 /nfs/dbraw/zinc/43/15/04/195431504.db2.gz ZDACWYAIAJSWFM-CYBMUJFWSA-N 0 0 316.401 3.347 10 30 DGEERN COC(=O)C1(NCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC000177157807 533251427 /nfs/dbraw/zinc/25/14/27/533251427.db2.gz LEWNUYZSDMVLOI-UHFFFAOYSA-N 0 0 305.805 3.157 10 30 DGEERN COc1c(C)cc(CN(C)C(=O)NCCCCC#N)cc1C ZINC000170884933 533394559 /nfs/dbraw/zinc/39/45/59/533394559.db2.gz JQXSHDQZLJIDAO-UHFFFAOYSA-N 0 0 303.406 3.147 10 30 DGEERN C[C@H](CC#N)N(C)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000155557198 533598216 /nfs/dbraw/zinc/59/82/16/533598216.db2.gz JFZBQTLXCVVWQK-SECBINFHSA-N 0 0 320.190 3.305 10 30 DGEERN C[C@@H](Nc1ccc(F)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000301643335 533554322 /nfs/dbraw/zinc/55/43/22/533554322.db2.gz HBKMKJOLMGBYNC-GFCCVEGCSA-N 0 0 307.332 3.451 10 30 DGEERN C[C@@H](O)CCNc1c(Br)cc(Cl)cc1C#N ZINC000309911964 533625047 /nfs/dbraw/zinc/62/50/47/533625047.db2.gz NFHVCZMOGPDMQW-SSDOTTSWSA-N 0 0 303.587 3.157 10 30 DGEERN Cc1[nH]ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000175666759 533653991 /nfs/dbraw/zinc/65/39/91/533653991.db2.gz JKHZQOAQDVXNOL-UHFFFAOYSA-N 0 0 322.393 3.494 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCC[C@@H]1CCC ZINC000616114799 400085647 /nfs/dbraw/zinc/08/56/47/400085647.db2.gz DRFXUOASPPBMMT-ULQDDVLXSA-N 0 0 308.466 3.180 10 30 DGEERN Cc1ccc(NC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cn1 ZINC000616177059 400095143 /nfs/dbraw/zinc/09/51/43/400095143.db2.gz AQLVYLRCXBLXGO-GFCCVEGCSA-N 0 0 300.387 3.216 10 30 DGEERN C=C[C@H](NCC/C=C/c1ccc(Br)cc1)C(=O)OC ZINC000600603478 400105815 /nfs/dbraw/zinc/10/58/15/400105815.db2.gz KHAYXBFRRGZQTR-YVZNUBBCSA-N 0 0 324.218 3.170 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nccc(-c2ccc(OC)cc2)n1 ZINC000581425705 400079363 /nfs/dbraw/zinc/07/93/63/400079363.db2.gz YQQMNJHOSRDZNH-YOEHRIQHSA-N 0 0 311.385 3.155 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000581675095 400082192 /nfs/dbraw/zinc/08/21/92/400082192.db2.gz HTHKVYUMNCJORQ-AWEZNQCLSA-N 0 0 320.437 3.182 10 30 DGEERN CC#CCN(C)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000584861952 400117146 /nfs/dbraw/zinc/11/71/46/400117146.db2.gz NONNWPSEIPUBQP-UHFFFAOYSA-N 0 0 301.333 3.279 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2COc3c2ccc(C)c3C)CC1 ZINC000600871519 400173785 /nfs/dbraw/zinc/17/37/85/400173785.db2.gz CIYKKADKUHIKLA-MRXNPFEDSA-N 0 0 300.402 3.345 10 30 DGEERN CCCCO[C@@H]1C[C@@H](N(C)c2nc(C)cc(C#N)n2)C1(C)C ZINC000587990548 400177353 /nfs/dbraw/zinc/17/73/53/400177353.db2.gz ZTDYYTMSLQBMBP-HUUCEWRRSA-N 0 0 302.422 3.077 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)c(F)c1 ZINC000609639630 400184086 /nfs/dbraw/zinc/18/40/86/400184086.db2.gz DMFWFZBIXGJJTN-INIZCTEOSA-N 0 0 312.348 3.072 10 30 DGEERN C=CC[C@H](O)c1c(Br)cncc1Br ZINC000306618979 400125874 /nfs/dbraw/zinc/12/58/74/400125874.db2.gz UDKKPLYEGVJWRX-QMMMGPOBSA-N 0 0 306.985 3.216 10 30 DGEERN C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H](C)O1 ZINC000310655894 400133188 /nfs/dbraw/zinc/13/31/88/400133188.db2.gz BSFBRFUZFKLTTK-IUCAKERBSA-N 0 0 313.170 3.073 10 30 DGEERN C[C@@H]1COCC[C@@H]1Nc1cc(Br)c(C#N)cc1F ZINC000310735222 400134858 /nfs/dbraw/zinc/13/48/58/400134858.db2.gz OYGBJAXGIJGTMP-PELKAZGASA-N 0 0 313.170 3.297 10 30 DGEERN C[C@@H]1COCC[C@H]1Nc1cc(Br)c(C#N)cc1F ZINC000310735223 400134874 /nfs/dbraw/zinc/13/48/74/400134874.db2.gz OYGBJAXGIJGTMP-PRHODGIISA-N 0 0 313.170 3.297 10 30 DGEERN C[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609097120 400138888 /nfs/dbraw/zinc/13/88/88/400138888.db2.gz BTMLNGBQWVBUCT-YJBOKZPZSA-N 0 0 311.429 3.176 10 30 DGEERN CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609134534 400142170 /nfs/dbraw/zinc/14/21/70/400142170.db2.gz PZBXMUDXEGKARX-WBMJQRKESA-N 0 0 324.421 3.335 10 30 DGEERN Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)[nH]1 ZINC000609185307 400148468 /nfs/dbraw/zinc/14/84/68/400148468.db2.gz WOSXGLSPBATFTQ-UHFFFAOYSA-N 0 0 323.396 3.187 10 30 DGEERN N#Cc1ccc(CNC(=O)c2ccc(-c3cnco3)cc2)c(F)c1 ZINC000609229564 400152870 /nfs/dbraw/zinc/15/28/70/400152870.db2.gz ZBNOBAGUOLHVFT-UHFFFAOYSA-N 0 0 321.311 3.282 10 30 DGEERN C=CCC1(C(=O)N2CCc3c(CC#N)cccc3C2)CCOCC1 ZINC000600786599 400153513 /nfs/dbraw/zinc/15/35/13/400153513.db2.gz JNHKHLOCGPFQOC-UHFFFAOYSA-N 0 0 324.424 3.010 10 30 DGEERN CC[C@@H](Nc1ccccc1)C(=O)NCc1ccc(C#N)cc1F ZINC000609241145 400153807 /nfs/dbraw/zinc/15/38/07/400153807.db2.gz WKUUBUOTRROGTQ-QGZVFWFLSA-N 0 0 311.360 3.204 10 30 DGEERN N#Cc1ccc(CNCc2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000609239076 400153837 /nfs/dbraw/zinc/15/38/37/400153837.db2.gz HFDMFZCYVMBOTA-UHFFFAOYSA-N 0 0 318.355 3.444 10 30 DGEERN Cc1ccc(F)c(NC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609252259 400154569 /nfs/dbraw/zinc/15/45/69/400154569.db2.gz NOYIEDFTCMWMAZ-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN CC(C)C[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1F ZINC000609254354 400155117 /nfs/dbraw/zinc/15/51/17/400155117.db2.gz KSOWLDBOMLSDJW-OAHLLOKOSA-N 0 0 303.381 3.417 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000610196530 400220259 /nfs/dbraw/zinc/22/02/59/400220259.db2.gz IYOADXTYCVZGCS-LZQZEXGQSA-N 0 0 312.413 3.171 10 30 DGEERN COc1cc(C#N)ccc1OCc1nc(C)c2ccccc2n1 ZINC000024790538 400225180 /nfs/dbraw/zinc/22/51/80/400225180.db2.gz ZOSLLPSKSVJVIE-UHFFFAOYSA-N 0 0 305.337 3.398 10 30 DGEERN C=CCCc1noc(CCC(=O)c2ccc(OC)c(OC)c2)n1 ZINC000351130862 400235102 /nfs/dbraw/zinc/23/51/02/400235102.db2.gz LOAFINCTXJNAEW-UHFFFAOYSA-N 0 0 316.357 3.021 10 30 DGEERN C=CCC1(c2nc(-c3nccc4[nH]ccc43)no2)CCOCC1 ZINC000351305901 400246167 /nfs/dbraw/zinc/24/61/67/400246167.db2.gz YPPULEKLGQZWTF-UHFFFAOYSA-N 0 0 310.357 3.237 10 30 DGEERN C=CCC1(c2nc(COc3ccccc3)no2)CCOCC1 ZINC000351300274 400246488 /nfs/dbraw/zinc/24/64/88/400246488.db2.gz PWRQSOAYWITOFN-UHFFFAOYSA-N 0 0 300.358 3.273 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000610350102 400246852 /nfs/dbraw/zinc/24/68/52/400246852.db2.gz RDBYNNLBWSBSFG-NWDGAFQWSA-N 0 0 314.414 3.445 10 30 DGEERN C=C1CC(C)(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000600953991 400194109 /nfs/dbraw/zinc/19/41/09/400194109.db2.gz JGYMKIANGMMEMC-UHFFFAOYSA-N 0 0 300.427 3.264 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000616697182 400207544 /nfs/dbraw/zinc/20/75/44/400207544.db2.gz SOBLFKHKVOJMRG-UHFFFAOYSA-N 0 0 302.296 3.282 10 30 DGEERN N#Cc1ccc(CNCc2cnc3ccc(Cl)cn23)c(F)c1 ZINC000610007785 400207721 /nfs/dbraw/zinc/20/77/21/400207721.db2.gz KANYONKCWXWAFC-UHFFFAOYSA-N 0 0 314.751 3.288 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cccc(CSCC(=O)OC)c2)C1 ZINC000601036536 400208850 /nfs/dbraw/zinc/20/88/50/400208850.db2.gz RHVOYHKSEULORF-UHFFFAOYSA-N 0 0 319.426 3.388 10 30 DGEERN N#Cc1ccc(N[C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000092960829 400216252 /nfs/dbraw/zinc/21/62/52/400216252.db2.gz KNVHTNCFIAVYEF-AWEZNQCLSA-N 0 0 317.732 3.265 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@H]2CCc3ccccc3C2)c1 ZINC000610522135 400270237 /nfs/dbraw/zinc/27/02/37/400270237.db2.gz PTGHIHHIUVZTBK-KRWDZBQOSA-N 0 0 304.393 3.022 10 30 DGEERN CC[C@H](C#N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000390708692 400272555 /nfs/dbraw/zinc/27/25/55/400272555.db2.gz IHSCNYZNKUJGNY-MRXNPFEDSA-N 0 0 308.381 3.432 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000617034520 400286709 /nfs/dbraw/zinc/28/67/09/400286709.db2.gz AFIZYCUPXABBFT-WMZOPIPTSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000617037598 400287948 /nfs/dbraw/zinc/28/79/48/400287948.db2.gz OVGQTOYYHZDIOD-WBVHZDCISA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1COc2ccccc2O1 ZINC000617035709 400288091 /nfs/dbraw/zinc/28/80/91/400288091.db2.gz RGOAPKNFAUHRFC-JKIFEVAISA-N 0 0 301.386 3.078 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617039741 400288782 /nfs/dbraw/zinc/28/87/82/400288782.db2.gz LEBYOSPTJSLWJA-YOEHRIQHSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617039345 400289330 /nfs/dbraw/zinc/28/93/30/400289330.db2.gz GGIPDQDLAYHLHI-TZMCWYRMSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000617041482 400289771 /nfs/dbraw/zinc/28/97/71/400289771.db2.gz FDXWEIOFGINFGJ-JHJVBQTASA-N 0 0 306.372 3.120 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(CCC(C)C)nn1 ZINC000617040502 400290179 /nfs/dbraw/zinc/29/01/79/400290179.db2.gz VENWPPNIJRPWTK-CABCVRRESA-N 0 0 304.438 3.189 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(OC)cccc1OC ZINC000617040383 400290213 /nfs/dbraw/zinc/29/02/13/400290213.db2.gz TUSLPEDWNHLHJO-ZBFHGGJFSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617040256 400290248 /nfs/dbraw/zinc/29/02/48/400290248.db2.gz RLYGNKCNVXGPOS-HOCLYGCPSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000617042442 400290970 /nfs/dbraw/zinc/29/09/70/400290970.db2.gz RGWHMDUXRMZTPX-WBVHZDCISA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1sc(COC)nc1C ZINC000617042486 400290997 /nfs/dbraw/zinc/29/09/97/400290997.db2.gz RXGFUJIVDXAYKM-STQMWFEESA-N 0 0 308.447 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2ccccc2c1=O ZINC000617042687 400291297 /nfs/dbraw/zinc/29/12/97/400291297.db2.gz UXZAUBUWKFLZOK-AEFFLSMTSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1nn(C)c2ccccc12 ZINC000617045236 400291751 /nfs/dbraw/zinc/29/17/51/400291751.db2.gz XVRHGPATRSRYDB-ZBFHGGJFSA-N 0 0 311.429 3.367 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000617044493 400291831 /nfs/dbraw/zinc/29/18/31/400291831.db2.gz OQCMZKYHRNFECF-YPMHNXCESA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(F)(F)F)nn1C ZINC000617045135 400291888 /nfs/dbraw/zinc/29/18/88/400291888.db2.gz XHAQVICDSWXUOF-QWRGUYRKSA-N 0 0 315.339 3.304 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](CNC(C)=O)CC(C)C ZINC000617044544 400291966 /nfs/dbraw/zinc/29/19/66/400291966.db2.gz PDCWRYGCTQHLFQ-BZSNNMDCSA-N 0 0 322.493 3.426 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(OC)c1 ZINC000617044393 400292498 /nfs/dbraw/zinc/29/24/98/400292498.db2.gz MYGLGHJDRQRDGH-GJZGRUSLSA-N 0 0 303.402 3.194 10 30 DGEERN CCN(Cc1ccc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000402813378 400292712 /nfs/dbraw/zinc/29/27/12/400292712.db2.gz FLZILXYNRSWWCV-OAHLLOKOSA-N 0 0 323.234 3.322 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000601497949 400304223 /nfs/dbraw/zinc/30/42/23/400304223.db2.gz JUMMQYWUKXNDMW-UHFFFAOYSA-N 0 0 320.458 3.164 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@](C)(CC)C1 ZINC000578075945 400324751 /nfs/dbraw/zinc/32/47/51/400324751.db2.gz RQZVCNUBGHQNJA-SFHVURJKSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000521640696 400310742 /nfs/dbraw/zinc/31/07/42/400310742.db2.gz HAHFJDNFUUKFGX-AWEZNQCLSA-N 0 0 318.417 3.195 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cc(COC)cc(C(=O)OCC)c2)C1 ZINC000601593224 400313925 /nfs/dbraw/zinc/31/39/25/400313925.db2.gz DKZRTIVSGVLWEA-UHFFFAOYSA-N 0 0 317.385 3.305 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)CCCC1 ZINC000617416635 400384177 /nfs/dbraw/zinc/38/41/77/400384177.db2.gz ZHCVXNUVMCVZOT-CVEARBPZSA-N 0 0 309.450 3.213 10 30 DGEERN C=CCCC1(CNC(=O)c2csc(NC(C)=O)n2)CCCC1 ZINC000617416374 400384200 /nfs/dbraw/zinc/38/42/00/400384200.db2.gz NOXOQEGDUSOIME-UHFFFAOYSA-N 0 0 321.446 3.358 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCN(C(=O)CC)C2)CCCC1 ZINC000617416525 400384492 /nfs/dbraw/zinc/38/44/92/400384492.db2.gz UQRZGZFCBZACAN-INIZCTEOSA-N 0 0 320.477 3.278 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)OC[C@H]2CCCO2)CCCC1 ZINC000617416637 400384504 /nfs/dbraw/zinc/38/45/04/400384504.db2.gz ZHCVXNUVMCVZOT-HZPDHXFCSA-N 0 0 309.450 3.213 10 30 DGEERN C=CCCC[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611372299 400385040 /nfs/dbraw/zinc/38/50/40/400385040.db2.gz ZUYXEFOYFSCXAG-CQSZACIVSA-N 0 0 314.433 3.290 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCn3ccnc3C2)CCCC1 ZINC000617417228 400385110 /nfs/dbraw/zinc/38/51/10/400385110.db2.gz QFAGIAKKCPRJKH-OAHLLOKOSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCC1(CNC(=O)c2cccc(C(=O)NC)c2)CCCC1 ZINC000617417239 400385309 /nfs/dbraw/zinc/38/53/09/400385309.db2.gz QUDVOXZDBXVBOW-UHFFFAOYSA-N 0 0 314.429 3.303 10 30 DGEERN C#CCC(CCCc1ccccc1)(C(=O)OCC)C(=O)OCC ZINC000038329642 400394793 /nfs/dbraw/zinc/39/47/93/400394793.db2.gz WXRIHSONISJBQK-UHFFFAOYSA-N 0 0 316.397 3.145 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)c1ccccc1 ZINC000617444564 400388046 /nfs/dbraw/zinc/38/80/46/400388046.db2.gz HRKLTTKAQJXBPX-CWRNSKLLSA-N 0 0 310.401 3.150 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCS[C@H](C)C1 ZINC000578304114 400327564 /nfs/dbraw/zinc/32/75/64/400327564.db2.gz QNEAJYDHLSDKQB-CQSZACIVSA-N 0 0 314.458 3.463 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCOc2cc(C)cc(C)c2)cc1 ZINC000036470542 400390706 /nfs/dbraw/zinc/39/07/06/400390706.db2.gz HNFXWQFFCUKCKH-UHFFFAOYSA-N 0 0 320.410 3.396 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000578622360 400330685 /nfs/dbraw/zinc/33/06/85/400330685.db2.gz MCKLSEDSGSNIDE-UONOGXRCSA-N 0 0 324.465 3.208 10 30 DGEERN C=CCC1(C(=O)NCc2cnc(C(F)(F)F)nc2)CCCC1 ZINC000617220246 400333044 /nfs/dbraw/zinc/33/30/44/400333044.db2.gz RUXBCXJENMFKSC-UHFFFAOYSA-N 0 0 313.323 3.248 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)NCCc1ccc(C#N)cc1 ZINC000617244123 400334972 /nfs/dbraw/zinc/33/49/72/400334972.db2.gz NJWYIEIVFSEOMM-AWEZNQCLSA-N 0 0 300.402 3.002 10 30 DGEERN C=CCCCCCNS(=O)(=O)Cc1cccc2cccnc21 ZINC000579859560 400342972 /nfs/dbraw/zinc/34/29/72/400342972.db2.gz XGGYBQCLNPMNHU-UHFFFAOYSA-N 0 0 318.442 3.401 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1oc2c(cccc2F)c1C)C(=O)OC ZINC000601772747 400347009 /nfs/dbraw/zinc/34/70/09/400347009.db2.gz QJMULYGYXPYZTB-ZDUSSCGKSA-N 0 0 319.332 3.118 10 30 DGEERN C=C(C)C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)OC ZINC000601782514 400348003 /nfs/dbraw/zinc/34/80/03/400348003.db2.gz POMWDRXATWXTLR-BDVYOWHSSA-N 0 0 315.413 3.194 10 30 DGEERN C=C(C)C[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)OC ZINC000601781519 400348074 /nfs/dbraw/zinc/34/80/74/400348074.db2.gz IOZDIGMIEFKUGR-ZBFHGGJFSA-N 0 0 303.402 3.194 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C(=O)OC ZINC000601781211 400348491 /nfs/dbraw/zinc/34/84/91/400348491.db2.gz HJBOJPQALZXOQS-QMMMGPOBSA-N 0 0 321.320 3.005 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC000580921839 400348612 /nfs/dbraw/zinc/34/86/12/400348612.db2.gz FJFILCFSOKPLQQ-GJZGRUSLSA-N 0 0 314.433 3.467 10 30 DGEERN Cc1ccccc1CC1CN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000611153564 400351626 /nfs/dbraw/zinc/35/16/26/400351626.db2.gz URVGXBIXCVAPDC-UHFFFAOYSA-N 0 0 304.393 3.376 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cccc([C@H]3CCOC3)c2)c(F)c1 ZINC000611183834 400356226 /nfs/dbraw/zinc/35/62/26/400356226.db2.gz OESJKIANCXRFGR-KRWDZBQOSA-N 0 0 324.355 3.131 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601855614 400365931 /nfs/dbraw/zinc/36/59/31/400365931.db2.gz ZZLKLFYVCLXGKH-IHRRRGAJSA-N 0 0 317.462 3.161 10 30 DGEERN COc1ccc(C(=O)C[C@@H](C#N)c2ccc3c(c2)OCO3)cc1 ZINC000038420384 400395732 /nfs/dbraw/zinc/39/57/32/400395732.db2.gz URBSCJJFLRWTFK-AWEZNQCLSA-N 0 0 309.321 3.304 10 30 DGEERN COc1ccc(C(=O)C[C@H](C#N)c2ccc3c(c2)OCO3)cc1 ZINC000038420385 400395767 /nfs/dbraw/zinc/39/57/67/400395767.db2.gz URBSCJJFLRWTFK-CQSZACIVSA-N 0 0 309.321 3.304 10 30 DGEERN C=CCN(C(=O)CCc1ccccc1OCC)[C@@H](C)COC ZINC000617574516 400415555 /nfs/dbraw/zinc/41/55/55/400415555.db2.gz BXDQIGZRYMLFMT-HNNXBMFYSA-N 0 0 305.418 3.067 10 30 DGEERN C=CCN(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)[C@@H](C)COC ZINC000617584977 400420136 /nfs/dbraw/zinc/42/01/36/400420136.db2.gz PUCYDLBQFDYJRQ-ZVZYQTTQSA-N 0 0 317.429 3.238 10 30 DGEERN C=CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)[C@H](C)COC ZINC000617585031 400420281 /nfs/dbraw/zinc/42/02/81/400420281.db2.gz RJAUBGFSIXCCNX-UMVBOHGHSA-N 0 0 301.377 3.252 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC000602285188 400434190 /nfs/dbraw/zinc/43/41/90/400434190.db2.gz HNHFJPIZEWTXFI-DJEJFTSGSA-N 0 0 320.458 3.093 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(Nc2cc(C#N)ccc2O)CC1 ZINC000118329982 400427411 /nfs/dbraw/zinc/42/74/11/400427411.db2.gz QQSMRYUKXLOTGP-UHFFFAOYSA-N 0 0 317.389 3.075 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cn2ncc3ccccc32)C1 ZINC000617778932 400451514 /nfs/dbraw/zinc/45/15/14/400451514.db2.gz RCWIIJFZPQMIQH-JKSUJKDBSA-N 0 0 311.429 3.487 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC(CCC(=O)OC)CC1 ZINC000602390798 400451923 /nfs/dbraw/zinc/45/19/23/400451923.db2.gz LAESNGRQNPKGTC-UHFFFAOYSA-N 0 0 324.465 3.354 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)C1 ZINC000617787271 400455523 /nfs/dbraw/zinc/45/55/23/400455523.db2.gz KQHDHCJKVHLERZ-GJZGRUSLSA-N 0 0 303.402 3.277 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000127905315 400508040 /nfs/dbraw/zinc/50/80/40/400508040.db2.gz OLDSIWFISDHROW-ZDUSSCGKSA-N 0 0 322.368 3.015 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(C(C)C)no1 ZINC000073665764 400462373 /nfs/dbraw/zinc/46/23/73/400462373.db2.gz MPUDCNCBKUYGLN-UHFFFAOYSA-N 0 0 303.318 3.409 10 30 DGEERN C=CCN(Cc1c2c(nn1C)CCCC2)Cc1cccc(C#N)c1 ZINC000602455177 400468397 /nfs/dbraw/zinc/46/83/97/400468397.db2.gz OXSADLMTISZRLR-UHFFFAOYSA-N 0 0 320.440 3.359 10 30 DGEERN C[C@]1(C#N)CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000612241936 400512447 /nfs/dbraw/zinc/51/24/47/400512447.db2.gz HMOQJBPZSXOYBQ-HACGYAERSA-N 0 0 304.340 3.221 10 30 DGEERN CN(c1cccc(C#N)c1)S(=O)(=O)c1c(F)cccc1Cl ZINC000125721825 400484243 /nfs/dbraw/zinc/48/42/43/400484243.db2.gz SGQWPROWGCHHAM-UHFFFAOYSA-N 0 0 324.764 3.176 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000125802858 400485182 /nfs/dbraw/zinc/48/51/82/400485182.db2.gz SXSZPUMBAUKHQA-QGZVFWFLSA-N 0 0 312.413 3.431 10 30 DGEERN C=C(C)[C@H](CC(=O)NCc1cccc(OC2CC2)c1F)OCC ZINC000618140137 400533583 /nfs/dbraw/zinc/53/35/83/400533583.db2.gz GYWLIHHTDVOGBD-INIZCTEOSA-N 0 0 321.392 3.354 10 30 DGEERN C=CCC1(NC(=O)Cc2cnc3ccccc3c2)CCOCC1 ZINC000618247553 400550417 /nfs/dbraw/zinc/55/04/17/400550417.db2.gz AQAUISHGZXPFDU-UHFFFAOYSA-N 0 0 310.397 3.019 10 30 DGEERN C=CCC1(NC(=O)c2ocnc2-c2ccccc2)CCOCC1 ZINC000618251172 400551523 /nfs/dbraw/zinc/55/15/23/400551523.db2.gz BLFRZOZTBNKCRS-UHFFFAOYSA-N 0 0 312.369 3.197 10 30 DGEERN C=CCC1(NC(=O)Cc2c(C)cccc2Cl)CCOCC1 ZINC000618250963 400551540 /nfs/dbraw/zinc/55/15/40/400551540.db2.gz WMAKPKBWCCBRLX-UHFFFAOYSA-N 0 0 307.821 3.432 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCOCC1 ZINC000591779463 400555618 /nfs/dbraw/zinc/55/56/18/400555618.db2.gz CKHWSTVDNLRFFS-KRWDZBQOSA-N 0 0 310.397 3.035 10 30 DGEERN C=C(C)C[C@@H](NCc1csc(-c2cccs2)n1)C(=O)OC ZINC000602735897 400558646 /nfs/dbraw/zinc/55/86/46/400558646.db2.gz ZRXYMQNAKCDBNU-GFCCVEGCSA-N 0 0 322.455 3.469 10 30 DGEERN C=C(C)C[C@H](NCc1cccc(-c2ccccn2)c1)C(=O)OC ZINC000602735297 400558813 /nfs/dbraw/zinc/55/88/13/400558813.db2.gz UIDLBXAJTHKURA-SFHVURJKSA-N 0 0 310.397 3.346 10 30 DGEERN C=CCN(Cc1cccs1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602761090 400566597 /nfs/dbraw/zinc/56/65/97/400566597.db2.gz WFGWOTVBJOWUGY-LLVKDONJSA-N 0 0 306.387 3.272 10 30 DGEERN C=CCN(CCc1ccccc1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602769705 400568692 /nfs/dbraw/zinc/56/86/92/400568692.db2.gz OVCZMTVCJISZQW-CQSZACIVSA-N 0 0 314.385 3.253 10 30 DGEERN C=C(C)[C@H]([NH3+])c1ncc(Br)cc1Br ZINC000133288136 400569285 /nfs/dbraw/zinc/56/92/85/400569285.db2.gz BWGKOOIJBTUNKZ-QMMMGPOBSA-N 0 0 306.001 3.183 10 30 DGEERN C=C(C)[C@@H]([NH3+])c1ncc(Br)cc1Br ZINC000133288346 400569404 /nfs/dbraw/zinc/56/94/04/400569404.db2.gz BWGKOOIJBTUNKZ-MRVPVSSYSA-N 0 0 306.001 3.183 10 30 DGEERN C=CCN(Cc1cc(C(=O)OC)oc1C)Cc1cccc(C#N)c1 ZINC000143873703 400638510 /nfs/dbraw/zinc/63/85/10/400638510.db2.gz SIORQMYWHLKMFR-UHFFFAOYSA-N 0 0 324.380 3.435 10 30 DGEERN CCCCCCC[C@@H](O)COS(=O)(=O)c1ccc(C)cc1 ZINC000138608406 400600013 /nfs/dbraw/zinc/60/00/13/400600013.db2.gz PGAKKHFEGPXQSH-OAHLLOKOSA-N 0 0 314.447 3.422 10 30 DGEERN C=C1CCN(c2nnc(CCc3ccco3)n2CC2CC2)CC1 ZINC000612788368 400602947 /nfs/dbraw/zinc/60/29/47/400602947.db2.gz APGABTYTILDIBN-UHFFFAOYSA-N 0 0 312.417 3.223 10 30 DGEERN C=C(C)CN(CC)c1nnc(CCc2ccco2)n1CC1CC1 ZINC000612789759 400604091 /nfs/dbraw/zinc/60/40/91/400604091.db2.gz REGULIGOQLMSEO-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCOCCCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000618515514 400608141 /nfs/dbraw/zinc/60/81/41/400608141.db2.gz YIGOWUMKLXOJMV-UHFFFAOYSA-N 0 0 302.201 3.245 10 30 DGEERN C=CCOCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000618514344 400608149 /nfs/dbraw/zinc/60/81/49/400608149.db2.gz JKOJCXFTFOJULJ-UHFFFAOYSA-N 0 0 311.809 3.206 10 30 DGEERN C=CCOCCCNC(=O)Cc1c(C)nc2ccccc2c1C ZINC000618514690 400608201 /nfs/dbraw/zinc/60/82/01/400608201.db2.gz NTOVEUCHZQJPGT-UHFFFAOYSA-N 0 0 312.413 3.103 10 30 DGEERN C=CCOCCCNC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000618513843 400608262 /nfs/dbraw/zinc/60/82/62/400608262.db2.gz CQMWTZSSWRXUIB-UHFFFAOYSA-N 0 0 313.397 3.173 10 30 DGEERN C=CCOCCCNC(=O)Cc1scnc1-c1ccccc1 ZINC000618517047 400609062 /nfs/dbraw/zinc/60/90/62/400609062.db2.gz XBUUNAAOHHLLBU-UHFFFAOYSA-N 0 0 316.426 3.062 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(-c2cccs2)nc1C ZINC000618517908 400609092 /nfs/dbraw/zinc/60/90/92/400609092.db2.gz SPVHXDGXWWKMBZ-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000618516542 400609300 /nfs/dbraw/zinc/60/93/00/400609300.db2.gz APMMFQIRJUCZDP-UHFFFAOYSA-N 0 0 301.386 3.301 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000618521680 400610604 /nfs/dbraw/zinc/61/06/04/400610604.db2.gz ZFQJHUWPLWOQCI-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2ccccc2)ns1 ZINC000618523298 400610653 /nfs/dbraw/zinc/61/06/53/400610653.db2.gz CJGNYTGGUZGDGC-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCOCCCNC(=O)c1c(C)c(CC)nc2ccccc21 ZINC000618524320 400610684 /nfs/dbraw/zinc/61/06/84/400610684.db2.gz AWDUMUTZVUSROQ-UHFFFAOYSA-N 0 0 312.413 3.428 10 30 DGEERN C=CCOCCCNC(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC000618525539 400611257 /nfs/dbraw/zinc/61/12/57/400611257.db2.gz DWIQTOSKEJUFCS-UHFFFAOYSA-N 0 0 321.417 3.150 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000618525986 400611389 /nfs/dbraw/zinc/61/13/89/400611389.db2.gz OWFOKISYCIZYMR-OAHLLOKOSA-N 0 0 312.413 3.122 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000618524926 400611644 /nfs/dbraw/zinc/61/16/44/400611644.db2.gz WCCZIVQNHSUDAC-UHFFFAOYSA-N 0 0 305.271 3.167 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C)cc(Br)c1 ZINC000618525502 400611824 /nfs/dbraw/zinc/61/18/24/400611824.db2.gz CPBCPDKOWRADQL-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=C(C)Cn1c(N(CC)CCSC)nnc1[C@@]1(C)CCCO1 ZINC000592415166 400647715 /nfs/dbraw/zinc/64/77/15/400647715.db2.gz RDDFUUKWDGKHIQ-MRXNPFEDSA-N 0 0 324.494 3.069 10 30 DGEERN CC(=O)O/N=C(/Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000146857594 400649914 /nfs/dbraw/zinc/64/99/14/400649914.db2.gz OOVUPPFRVLKWOI-SDXDJHTJSA-N 0 0 316.288 3.244 10 30 DGEERN CC(=O)O/N=C(/Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000146743905 400650336 /nfs/dbraw/zinc/65/03/36/400650336.db2.gz UNLUVEIOIRFDFT-VLGSPTGOSA-N 0 0 312.325 3.413 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603156946 400650513 /nfs/dbraw/zinc/65/05/13/400650513.db2.gz NOTJUNUDQDXKDU-IBGZPJMESA-N 0 0 323.440 3.364 10 30 DGEERN C=CCCSCCNC(=O)Nc1ccnn1CC1CCC1 ZINC000603153476 400650831 /nfs/dbraw/zinc/65/08/31/400650831.db2.gz VCTJUNRXMNNPBA-UHFFFAOYSA-N 0 0 308.451 3.114 10 30 DGEERN CC(C)OC(=O)CC[C@@H](C=O)c1ccc(Br)cc1 ZINC000148277295 400655775 /nfs/dbraw/zinc/65/57/75/400655775.db2.gz OOPZSFYDMUSLBN-LBPRGKRZSA-N 0 0 313.191 3.463 10 30 DGEERN Cc1cccc(F)c1NC(=O)NCc1ccc(C#N)cc1F ZINC000613146556 400662485 /nfs/dbraw/zinc/66/24/85/400662485.db2.gz FHDBQQARJQTWRH-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCC[C@H](CCF)C2)cc1 ZINC000618700234 400672083 /nfs/dbraw/zinc/67/20/83/400672083.db2.gz UEHOYZZNYJMWKZ-MRXNPFEDSA-N 0 0 305.393 3.392 10 30 DGEERN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000151698570 400674749 /nfs/dbraw/zinc/67/47/49/400674749.db2.gz XLTFJXUIXIRVLY-CYBMUJFWSA-N 0 0 315.417 3.218 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCOC[C@@H]1c1cccc(F)c1)OCC ZINC000618769312 400685721 /nfs/dbraw/zinc/68/57/21/400685721.db2.gz GNQGYEZBKMBODF-IAGOWNOFSA-N 0 0 321.392 3.097 10 30 DGEERN COc1cc(C)cc(NC(=O)N2CCC[C@](C)(C#N)C2)c1C ZINC000618778843 400687475 /nfs/dbraw/zinc/68/74/75/400687475.db2.gz OHKIXEYNZZNRKD-QGZVFWFLSA-N 0 0 301.390 3.470 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)CCC1 ZINC000592937010 400720223 /nfs/dbraw/zinc/72/02/23/400720223.db2.gz ICRNXEOYSDAKJF-KGLIPLIRSA-N 0 0 307.434 3.359 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC=CCC1 ZINC000077641797 400733998 /nfs/dbraw/zinc/73/39/98/400733998.db2.gz QQYSZOFPROMYHQ-HNNXBMFYSA-N 0 0 315.373 3.401 10 30 DGEERN C=CCCn1cc(C(=O)Nc2ccc3c(c2)C=CCCC3)nn1 ZINC000618850993 400701465 /nfs/dbraw/zinc/70/14/65/400701465.db2.gz LCCARPFJSPMVFA-UHFFFAOYSA-N 0 0 308.385 3.456 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccc(OC)cc1 ZINC000613399238 400709980 /nfs/dbraw/zinc/70/99/80/400709980.db2.gz BFHYBBRFTRZPOQ-CZUORRHYSA-N 0 0 319.401 3.018 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@]1(C(=O)OCC)CCc2ccccc21 ZINC000613400737 400710371 /nfs/dbraw/zinc/71/03/71/400710371.db2.gz ZGNUBGNZINSCAF-AUUYWEPGSA-N 0 0 315.413 3.110 10 30 DGEERN CC[C@@H](O)CN(CCOc1ccccc1C#N)c1ccccc1 ZINC000170715258 400770565 /nfs/dbraw/zinc/77/05/65/400770565.db2.gz HCCRTKQVCCXRKC-GOSISDBHSA-N 0 0 310.397 3.215 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc([C@H](C)OC)c1 ZINC000171088626 400785415 /nfs/dbraw/zinc/78/54/15/400785415.db2.gz SKKBUUWXTIJOFS-GJZGRUSLSA-N 0 0 302.418 3.395 10 30 DGEERN C=CCCCNC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000619206672 400800433 /nfs/dbraw/zinc/80/04/33/400800433.db2.gz HOOQPGVDPWMSEJ-UHFFFAOYSA-N 0 0 318.417 3.407 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C#N)cc2F)o1 ZINC000171483794 400800910 /nfs/dbraw/zinc/80/09/10/400800910.db2.gz HNAFBOAUQWTSOK-LLVKDONJSA-N 0 0 301.321 3.159 10 30 DGEERN N#CC1(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCCC1 ZINC000175986348 400869565 /nfs/dbraw/zinc/86/95/65/400869565.db2.gz ADGHWBHMZFQFPG-UHFFFAOYSA-N 0 0 322.368 3.180 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181302324 400887851 /nfs/dbraw/zinc/88/78/51/400887851.db2.gz MAHUFWXAFKRYHO-LLVKDONJSA-N 0 0 303.328 3.310 10 30 DGEERN CC(C)Oc1cc(NC(=O)NCC2CCC(C#N)CC2)ccn1 ZINC000619663974 400880179 /nfs/dbraw/zinc/88/01/79/400880179.db2.gz QNEFGIXGEDDWSC-UHFFFAOYSA-N 0 0 316.405 3.320 10 30 DGEERN CC(C)OC1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000619669730 400880854 /nfs/dbraw/zinc/88/08/54/400880854.db2.gz XJMDMGDETOGNMS-UHFFFAOYSA-N 0 0 321.465 3.352 10 30 DGEERN Cc1ccncc1[C@@H](C)NC(=O)NCC1CCC(C#N)CC1 ZINC000619669828 400880919 /nfs/dbraw/zinc/88/09/19/400880919.db2.gz WBKVGGHXCQEEDB-WLYUNCDWSA-N 0 0 300.406 3.080 10 30 DGEERN N#CC1CCC(CNC(=O)CNc2cccc(Cl)c2)CC1 ZINC000619674784 400881802 /nfs/dbraw/zinc/88/18/02/400881802.db2.gz BWALRZRJPWDTBJ-UHFFFAOYSA-N 0 0 305.809 3.198 10 30 DGEERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)C1CC1 ZINC000180272759 400882975 /nfs/dbraw/zinc/88/29/75/400882975.db2.gz XMXKSLWGUBUKOF-CYBMUJFWSA-N 0 0 319.386 3.127 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cncc(Br)c1C ZINC000614133773 400841840 /nfs/dbraw/zinc/84/18/40/400841840.db2.gz QWSBXACUTHUJAC-NSHDSACASA-N 0 0 309.207 3.333 10 30 DGEERN N#CCc1cccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000174522472 400859657 /nfs/dbraw/zinc/85/96/57/400859657.db2.gz NLUCLRZLDXXWTI-GOSISDBHSA-N 0 0 312.413 3.316 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)[C@H]1Cc3ccc(F)cc31)CCCC2 ZINC000619519785 400859921 /nfs/dbraw/zinc/85/99/21/400859921.db2.gz FDOPNQZUZZIPAB-INIZCTEOSA-N 0 0 321.355 3.250 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000633410173 400940392 /nfs/dbraw/zinc/94/03/92/400940392.db2.gz GMXUINGWEZAWFT-JYJNAYRXSA-N 0 0 308.466 3.314 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NC[C@H](CCO)c1ccccc1 ZINC000633411480 400940481 /nfs/dbraw/zinc/94/04/81/400940481.db2.gz TVLRJJKPWBAIKK-KRWDZBQOSA-N 0 0 318.461 3.444 10 30 DGEERN C=C(CNC(=O)C1(OC)CCC(F)(F)CC1)c1ccccc1 ZINC000614865251 400955158 /nfs/dbraw/zinc/95/51/58/400955158.db2.gz SBRGVMVJDCMSKO-UHFFFAOYSA-N 0 0 309.356 3.411 10 30 DGEERN CC(C)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000614812206 400949660 /nfs/dbraw/zinc/94/96/60/400949660.db2.gz FOZGCSFJEUKHPZ-HNNXBMFYSA-N 0 0 303.381 3.275 10 30 DGEERN COc1cc(F)cc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000181584528 400889978 /nfs/dbraw/zinc/88/99/78/400889978.db2.gz RODVZBBTAURGTK-UHFFFAOYSA-N 0 0 324.355 3.319 10 30 DGEERN CN(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1(C#N)CCC1 ZINC000079728967 400891733 /nfs/dbraw/zinc/89/17/33/400891733.db2.gz JGHYUDCVXHFPFO-UHFFFAOYSA-N 0 0 322.368 3.132 10 30 DGEERN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000182232747 400892378 /nfs/dbraw/zinc/89/23/78/400892378.db2.gz LRKBWTBGRUMKCK-LIRRHRJNSA-N 0 0 307.397 3.444 10 30 DGEERN C=C[C@@H](C(=O)OC)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000619722219 400894624 /nfs/dbraw/zinc/89/46/24/400894624.db2.gz ABHPAHFVMXSSCM-AWEZNQCLSA-N 0 0 311.784 3.328 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000183859192 400901821 /nfs/dbraw/zinc/90/18/21/400901821.db2.gz DBBIEAWNIABPCA-QGZVFWFLSA-N 0 0 316.445 3.026 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000184637156 400903688 /nfs/dbraw/zinc/90/36/88/400903688.db2.gz IQKSBAXOAXHSHQ-LBPRGKRZSA-N 0 0 319.430 3.478 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1SC ZINC000184619704 400903977 /nfs/dbraw/zinc/90/39/77/400903977.db2.gz BYIVLEDSQFTYPV-SNVBAGLBSA-N 0 0 300.811 3.120 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC000619833470 400909166 /nfs/dbraw/zinc/90/91/66/400909166.db2.gz RBDHCUZOXBJMRL-KRWDZBQOSA-N 0 0 311.389 3.244 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000195730021 400926921 /nfs/dbraw/zinc/92/69/21/400926921.db2.gz ZHQCGCSRHVSZNB-MRXNPFEDSA-N 0 0 322.449 3.461 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620141602 400981313 /nfs/dbraw/zinc/98/13/13/400981313.db2.gz XCYXSIYEQNJWBV-KGLIPLIRSA-N 0 0 303.427 3.073 10 30 DGEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000624989474 401003804 /nfs/dbraw/zinc/00/38/04/401003804.db2.gz DTTFEOYBNNVKLL-CYBMUJFWSA-N 0 0 312.421 3.013 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](c1ccc(C)o1)C(F)(F)F ZINC000594164765 401013224 /nfs/dbraw/zinc/01/32/24/401013224.db2.gz LPAMIOADYQHQCB-NSHDSACASA-N 0 0 322.352 3.410 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC000624823059 400960107 /nfs/dbraw/zinc/96/01/07/400960107.db2.gz NLVQJWCBCSGXIF-NFBGWVBBSA-N 0 0 304.438 3.183 10 30 DGEERN N#Cc1ccc(NCC2CCC(O)CC2)c(Br)c1 ZINC000227702717 400963027 /nfs/dbraw/zinc/96/30/27/400963027.db2.gz VVAZCIDOCBSYML-UHFFFAOYSA-N 0 0 309.207 3.284 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@H]1CC(C)(C)C ZINC000624847989 400968849 /nfs/dbraw/zinc/96/88/49/400968849.db2.gz VCSMLXNVHZOGCH-AWEZNQCLSA-N 0 0 314.437 3.259 10 30 DGEERN C#C[C@H](C)Nc1ccc(I)cc1Cl ZINC000232149471 400970273 /nfs/dbraw/zinc/97/02/73/400970273.db2.gz YHSCMVMYQJOBPE-ZETCQYMHSA-N 0 0 305.546 3.378 10 30 DGEERN C=C(C)[C@H](NN)c1ccc(Br)cc1Br ZINC000232566105 400971644 /nfs/dbraw/zinc/97/16/44/400971644.db2.gz PGPJETSXJRLYLT-JTQLQIEISA-N 0 0 320.028 3.292 10 30 DGEERN CC#CCNc1ccc(Cl)cc1I ZINC000232244848 400971874 /nfs/dbraw/zinc/97/18/74/400971874.db2.gz JVHSYCVIISULGY-UHFFFAOYSA-N 0 0 305.546 3.380 10 30 DGEERN C#C[C@H](NC)c1cc(Br)sc1Br ZINC000234392308 400974644 /nfs/dbraw/zinc/97/46/44/400974644.db2.gz FBCNJCQILSRPJS-LURJTMIESA-N 0 0 309.026 3.167 10 30 DGEERN C#CC[C@@H](O)c1ccc(Br)c(Br)c1 ZINC000236551004 400978424 /nfs/dbraw/zinc/97/84/24/400978424.db2.gz HOKVXGOUOZLPDT-SNVBAGLBSA-N 0 0 303.981 3.268 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000620303521 401050866 /nfs/dbraw/zinc/05/08/66/401050866.db2.gz SHGUUJCHMCURCD-BHYGNILZSA-N 0 0 309.413 3.382 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccccc1OC ZINC000620306162 401052677 /nfs/dbraw/zinc/05/26/77/401052677.db2.gz ACOACANZVGCEFX-OKILXGFUSA-N 0 0 303.427 3.497 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2ccccc2)cc1OC ZINC000620313833 401053696 /nfs/dbraw/zinc/05/36/96/401053696.db2.gz FJGKUHQZJREUPF-IYBDPMFKSA-N 0 0 323.396 3.204 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1=Cc2cccc(OC)c2OC1 ZINC000620310312 401053836 /nfs/dbraw/zinc/05/38/36/401053836.db2.gz LNCWQVNNGULBBS-IYBDPMFKSA-N 0 0 311.381 3.181 10 30 DGEERN C=CC[C@H](C(=O)NCC1(O)CCC(F)(F)CC1)c1ccccc1 ZINC000620321093 401056090 /nfs/dbraw/zinc/05/60/90/401056090.db2.gz QFNVNUWDQCUAMW-HNNXBMFYSA-N 0 0 323.383 3.403 10 30 DGEERN C=CCCOCC(=O)N(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000620328508 401058279 /nfs/dbraw/zinc/05/82/79/401058279.db2.gz WAPKIZPNWRPAAD-QGZVFWFLSA-N 0 0 303.402 3.124 10 30 DGEERN N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000594435722 401069840 /nfs/dbraw/zinc/06/98/40/401069840.db2.gz JBCSFEPRFIWJNN-LLVKDONJSA-N 0 0 316.188 3.049 10 30 DGEERN C=CCCn1cc(CN(C#N)c2ccc(OC)c(Cl)c2)nn1 ZINC000594460249 401074540 /nfs/dbraw/zinc/07/45/40/401074540.db2.gz 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C=CC[C@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(C)c32)C1 ZINC000628484318 401606364 /nfs/dbraw/zinc/60/63/64/401606364.db2.gz JXPPIAUNWVPALZ-LBPRGKRZSA-N 0 0 311.385 3.447 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1 ZINC000628485917 401606724 /nfs/dbraw/zinc/60/67/24/401606724.db2.gz WXVIVTBSLMQKMQ-AWEZNQCLSA-N 0 0 300.402 3.319 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cn(CCOC)c3ccccc23)C1 ZINC000628487189 401606728 /nfs/dbraw/zinc/60/67/28/401606728.db2.gz ZNGFSZKTMISXSK-HNNXBMFYSA-N 0 0 312.413 3.326 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2csc(Nc3ccccn3)n2)C1 ZINC000628487551 401606809 /nfs/dbraw/zinc/60/68/09/401606809.db2.gz IFDGMXMSRWKDQU-LBPRGKRZSA-N 0 0 314.414 3.320 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1 ZINC000628485918 401606893 /nfs/dbraw/zinc/60/68/93/401606893.db2.gz WXVIVTBSLMQKMQ-CQSZACIVSA-N 0 0 300.402 3.319 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCC(=O)c2ccc(OC)c(F)c2)C1 ZINC000628489191 401607150 /nfs/dbraw/zinc/60/71/50/401607150.db2.gz QXRCZTSGQBLRAZ-ZDUSSCGKSA-N 0 0 319.376 3.222 10 30 DGEERN C=CC[C@H]1CCN(C(=O)COc2ccccc2Br)C1 ZINC000628490330 401607196 /nfs/dbraw/zinc/60/71/96/401607196.db2.gz WADVPJGTVHXCLR-LBPRGKRZSA-N 0 0 324.218 3.253 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2CSc3ccccc3O2)C1 ZINC000624279350 401646484 /nfs/dbraw/zinc/64/64/84/401646484.db2.gz NUISHOSMWLDDOX-KBPBESRZSA-N 0 0 318.442 3.147 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-c3n[nH]c(CC)n3)cc2)C1 ZINC000628488760 401607380 /nfs/dbraw/zinc/60/73/80/401607380.db2.gz HSSQSEZCZYRYPA-CYBMUJFWSA-N 0 0 310.401 3.072 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OC3CC3)cc2OC)C1 ZINC000628490703 401607648 /nfs/dbraw/zinc/60/76/48/401607648.db2.gz FBVUOXXEEBUKRB-CYBMUJFWSA-N 0 0 301.386 3.275 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc3nnc(C(C)(C)C)n3c2)C1 ZINC000628491398 401607652 /nfs/dbraw/zinc/60/76/52/401607652.db2.gz XOUYIHGWEYDXKL-ZDUSSCGKSA-N 0 0 312.417 3.065 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)C1 ZINC000628492608 401607670 /nfs/dbraw/zinc/60/76/70/401607670.db2.gz YBMKHZPTEPYIJI-KBPBESRZSA-N 0 0 320.458 3.384 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC000628491671 401607730 /nfs/dbraw/zinc/60/77/30/401607730.db2.gz FGLLQWOQXZEQBC-LSDHHAIUSA-N 0 0 302.393 3.077 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)C1 ZINC000628494025 401608125 /nfs/dbraw/zinc/60/81/25/401608125.db2.gz CVHZNHHIWSFCFZ-NSHDSACASA-N 0 0 323.318 3.391 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(-c3cccc(OC)c3)no2)C1 ZINC000628493985 401608322 /nfs/dbraw/zinc/60/83/22/401608322.db2.gz BSPYUBQTXYCBNK-CYBMUJFWSA-N 0 0 312.369 3.388 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)C1 ZINC000632557171 401614624 /nfs/dbraw/zinc/61/46/24/401614624.db2.gz GMQSEFFOUSVSCY-IXDOHACOSA-N 0 0 315.413 3.084 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)CCCC1CCOCC1 ZINC000632641212 401617883 /nfs/dbraw/zinc/61/78/83/401617883.db2.gz WPPGICGXAANQOG-UHFFFAOYSA-N 0 0 317.495 3.105 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000632727243 401621286 /nfs/dbraw/zinc/62/12/86/401621286.db2.gz ULPJZJCHLDWROQ-UHFFFAOYSA-N 0 0 313.806 3.038 10 30 DGEERN C=CCN(C(=O)CCc1nnc(C(F)F)o1)c1ccccc1 ZINC000633134770 401652846 /nfs/dbraw/zinc/65/28/46/401652846.db2.gz PFLDDMHWGVWLDB-UHFFFAOYSA-N 0 0 307.300 3.159 10 30 DGEERN C=CCOCCCNC(=O)NCc1csc(C(F)(F)F)c1 ZINC000624369898 401656358 /nfs/dbraw/zinc/65/63/58/401656358.db2.gz VDQYQTRTOKOUHI-UHFFFAOYSA-N 0 0 322.352 3.159 10 30 DGEERN C=CCCCCNC(=O)N1CCC(Cc2nccs2)CC1 ZINC000633172922 401657276 /nfs/dbraw/zinc/65/72/76/401657276.db2.gz UCPREKONBQQISG-UHFFFAOYSA-N 0 0 307.463 3.464 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCO[C@@H](CCF)C1 ZINC000629015408 401656847 /nfs/dbraw/zinc/65/68/47/401656847.db2.gz SFQYDRDTZUMRHD-ZDUSSCGKSA-N 0 0 309.406 3.165 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000624463097 401662603 /nfs/dbraw/zinc/66/26/03/401662603.db2.gz SBIHJBNXYGYWRW-NSHDSACASA-N 0 0 322.371 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000624463150 401662617 /nfs/dbraw/zinc/66/26/17/401662617.db2.gz VVKYFQCVPHRFBX-AWEZNQCLSA-N 0 0 310.825 3.275 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000624462903 401662702 /nfs/dbraw/zinc/66/27/02/401662702.db2.gz IZBSZVUPIJZODQ-LSDHHAIUSA-N 0 0 306.450 3.332 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000624463130 401662767 /nfs/dbraw/zinc/66/27/67/401662767.db2.gz UZPSZRBSBJCQEA-CYBMUJFWSA-N 0 0 310.829 3.095 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cccc(NC(=O)CC)c1 ZINC000624468616 401662984 /nfs/dbraw/zinc/66/29/84/401662984.db2.gz PZAJDJKPFPHPSA-UHFFFAOYSA-N 0 0 317.433 3.437 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629145576 401668631 /nfs/dbraw/zinc/66/86/31/401668631.db2.gz PGPBKGNBQYRIHP-UKRRQHHQSA-N 0 0 303.427 3.262 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCn2nccc21 ZINC000633344613 401674465 /nfs/dbraw/zinc/67/44/65/401674465.db2.gz YJTSHCPWUMZJJA-RBSFLKMASA-N 0 0 302.422 3.152 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1c(C2CC2)cnn1C ZINC000633353544 401675498 /nfs/dbraw/zinc/67/54/98/401675498.db2.gz DSCKANNUGBKTNK-UHFFFAOYSA-N 0 0 304.438 3.089 10 30 DGEERN C=CCCO[C@@H](C)c1nc(-c2cccc(OC(F)F)n2)no1 ZINC000624689363 401682528 /nfs/dbraw/zinc/68/25/28/401682528.db2.gz ZAMQFMCUAHYFLU-VIFPVBQESA-N 0 0 311.288 3.387 10 30 DGEERN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000408437702 165958153 /nfs/dbraw/zinc/95/81/53/165958153.db2.gz XUDOHVNKYBRXEI-STQMWFEESA-N 0 0 301.390 3.467 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3C[C@H](O)C(C)(C)C3)c2c1 ZINC000408451852 165959798 /nfs/dbraw/zinc/95/97/98/165959798.db2.gz MZYRQNRCONBZCQ-KRWDZBQOSA-N 0 0 309.413 3.437 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171643648 164633695 /nfs/dbraw/zinc/63/36/95/164633695.db2.gz XKDWHJQSQZHBJG-KXPUMZMLSA-N 0 0 323.421 3.434 10 30 DGEERN N#Cc1ccc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000175231109 164752210 /nfs/dbraw/zinc/75/22/10/164752210.db2.gz FEZBSVWJHKHLNP-UHFFFAOYSA-N 0 0 324.290 3.274 10 30 DGEERN C[C@@H](NCc1ccc(F)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000185475519 165005700 /nfs/dbraw/zinc/00/57/00/165005700.db2.gz ZGGABEGNFJJTFX-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2ccccc2Cl)cn1 ZINC000185845095 165018500 /nfs/dbraw/zinc/01/85/00/165018500.db2.gz FUVMORBDAJGJBX-UHFFFAOYSA-N 0 0 309.760 3.404 10 30 DGEERN Cc1nc(C(=O)N2CC=C(c3ccccc3F)CC2)ccc1C#N ZINC000186130495 165027658 /nfs/dbraw/zinc/02/76/58/165027658.db2.gz XPTQRPXBYVJTOH-UHFFFAOYSA-N 0 0 321.355 3.330 10 30 DGEERN COc1cc(C)cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188869052 165141806 /nfs/dbraw/zinc/14/18/06/165141806.db2.gz CISFRRRKRITBKL-UHFFFAOYSA-N 0 0 320.392 3.223 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000189172027 165152317 /nfs/dbraw/zinc/15/23/17/165152317.db2.gz GDJXZISWDUKALU-UHFFFAOYSA-N 0 0 306.340 3.385 10 30 DGEERN Cn1cc(-c2cc(COc3ccc(C#N)c(Cl)c3)on2)cn1 ZINC000190263775 165194912 /nfs/dbraw/zinc/19/49/12/165194912.db2.gz GJONZKHCPRWREL-UHFFFAOYSA-N 0 0 314.732 3.179 10 30 DGEERN CNC(=O)c1ccc(Cl)cc1NCc1ccc(C#N)c(F)c1 ZINC000190350139 165198589 /nfs/dbraw/zinc/19/85/89/165198589.db2.gz MVYOMEMTAAXTDZ-UHFFFAOYSA-N 0 0 317.751 3.322 10 30 DGEERN N#Cc1ccc(C[S@@](=O)Cc2ccc(F)cc2F)cc1F ZINC000190820688 165216770 /nfs/dbraw/zinc/21/67/70/165216770.db2.gz QRJCUJQWIGXXAW-OAQYLSRUSA-N 0 0 309.312 3.424 10 30 DGEERN Cc1cccc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)c1 ZINC000190883681 165219730 /nfs/dbraw/zinc/21/97/30/165219730.db2.gz ANFAUIVCXOEFOW-UHFFFAOYSA-N 0 0 303.358 3.121 10 30 DGEERN CCOc1cc(O)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000190961071 165221837 /nfs/dbraw/zinc/22/18/37/165221837.db2.gz PPJHFZWQEOEVPW-UHFFFAOYSA-N 0 0 322.364 3.333 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1F ZINC000192073105 165280900 /nfs/dbraw/zinc/28/09/00/165280900.db2.gz WCJUGHUBOVPJLI-OAHLLOKOSA-N 0 0 302.374 3.332 10 30 DGEERN Cc1ccc([C@H]2CN(Cc3ccc(C#N)c(F)c3)CCO2)o1 ZINC000192130473 165283776 /nfs/dbraw/zinc/28/37/76/165283776.db2.gz IAAOHQVUOMDRNU-QGZVFWFLSA-N 0 0 300.333 3.172 10 30 DGEERN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)o1 ZINC000192662853 165300941 /nfs/dbraw/zinc/30/09/41/165300941.db2.gz VHSXCYPCNKFDMS-SJKOYZFVSA-N 0 0 321.380 3.474 10 30 DGEERN Cc1c(C#N)cccc1NCc1ccc2c(c1)sc(=O)n2C ZINC000192701841 165301893 /nfs/dbraw/zinc/30/18/93/165301893.db2.gz HRGFMUIZRPUBKU-UHFFFAOYSA-N 0 0 309.394 3.392 10 30 DGEERN N#Cc1cc(C(=O)NCC2(Sc3ccccc3)CC2)ccn1 ZINC000193212743 165320026 /nfs/dbraw/zinc/32/00/26/165320026.db2.gz BFMWQNRBPCOPLM-UHFFFAOYSA-N 0 0 309.394 3.008 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1c(F)cccc1Cl ZINC000193433688 165326659 /nfs/dbraw/zinc/32/66/59/165326659.db2.gz NMHQRILORGKJIF-VIFPVBQESA-N 0 0 303.724 3.237 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccnc2-c2ccccc2)ccn1 ZINC000193682889 165328842 /nfs/dbraw/zinc/32/88/42/165328842.db2.gz OSYAXPSOKRDNFQ-UHFFFAOYSA-N 0 0 300.321 3.268 10 30 DGEERN N#Cc1c(N2CCC(Cc3ccccn3)CC2)nc2ccccn12 ZINC000193567085 165329581 /nfs/dbraw/zinc/32/95/81/165329581.db2.gz OTTXVTKFJMCBPC-UHFFFAOYSA-N 0 0 317.396 3.060 10 30 DGEERN N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCCOC1 ZINC000171693241 432160633 /nfs/dbraw/zinc/16/06/33/432160633.db2.gz DJAFJFVLOMZYBW-HNNXBMFYSA-N 0 0 306.365 3.134 10 30 DGEERN N#C[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000171725879 432165806 /nfs/dbraw/zinc/16/58/06/432165806.db2.gz OCCKDIDPBXPVDZ-MRXNPFEDSA-N 0 0 320.348 3.383 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000246890641 432177493 /nfs/dbraw/zinc/17/74/93/432177493.db2.gz QYWKBLCBKVEJSV-RHSMWYFYSA-N 0 0 313.376 3.306 10 30 DGEERN Cc1cc(OCc2nc(-c3ccc(F)cc3)no2)c(C#N)c(C)n1 ZINC000150889837 432200013 /nfs/dbraw/zinc/20/00/13/432200013.db2.gz ZIHQSJWTDZGNEN-UHFFFAOYSA-N 0 0 324.315 3.338 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)C/C=C/c2ccccc2)cc1F ZINC000190881543 432197161 /nfs/dbraw/zinc/19/71/61/432197161.db2.gz LUESPPLAKDWQGJ-QPJJXVBHSA-N 0 0 315.369 3.326 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172416273 432212609 /nfs/dbraw/zinc/21/26/09/432212609.db2.gz SELNOUASNQCQNE-UHFFFAOYSA-N 0 0 322.670 3.439 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000247254058 432216558 /nfs/dbraw/zinc/21/65/58/432216558.db2.gz DTVOTSVOFBMXJO-ILXRZTDVSA-N 0 0 300.402 3.363 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2sccc2C#N)C12CCCC2 ZINC000134020609 196353958 /nfs/dbraw/zinc/35/39/58/196353958.db2.gz DXPMGXRFRAOCOZ-ZIAGYGMSSA-N 0 0 318.442 3.430 10 30 DGEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000104107304 226897986 /nfs/dbraw/zinc/89/79/86/226897986.db2.gz OEYFZQUFRGHKLV-SECBINFHSA-N 0 0 321.229 3.278 10 30 DGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)[C@@H](C)CO ZINC000151555247 227062097 /nfs/dbraw/zinc/06/20/97/227062097.db2.gz UXGAILHKGABUJO-XQQFMLRXSA-N 0 0 321.446 3.219 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000184610001 335080748 /nfs/dbraw/zinc/08/07/48/335080748.db2.gz NBWQHFINLDIUEI-YOEHRIQHSA-N 0 0 305.418 3.226 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc2sccc2c1 ZINC000291470813 335082556 /nfs/dbraw/zinc/08/25/56/335082556.db2.gz PCYPRKXLMPNSCW-GDBMZVCRSA-N 0 0 301.411 3.499 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000161687294 228253005 /nfs/dbraw/zinc/25/30/05/228253005.db2.gz LCWNLMQEPKAQKT-HNNXBMFYSA-N 0 0 307.397 3.121 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1c(F)cccc1F ZINC000162045785 228256509 /nfs/dbraw/zinc/25/65/09/228256509.db2.gz DIACIKWHHLXXDR-UHFFFAOYSA-N 0 0 300.308 3.117 10 30 DGEERN N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1ccccn1 ZINC000175099860 228297434 /nfs/dbraw/zinc/29/74/34/228297434.db2.gz LXBRACTYFOMGMN-LLVKDONJSA-N 0 0 324.290 3.036 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C#N)C2CCCCC2)s1 ZINC000177061103 228324184 /nfs/dbraw/zinc/32/41/84/228324184.db2.gz VTQWVWDANLIFJT-WCQYABFASA-N 0 0 321.446 3.361 10 30 DGEERN C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Oc1ccccc1 ZINC000180849663 228358302 /nfs/dbraw/zinc/35/83/02/228358302.db2.gz KTWDBITZIMLHCH-OAHLLOKOSA-N 0 0 320.392 3.439 10 30 DGEERN CO[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000181513761 228362412 /nfs/dbraw/zinc/36/24/12/228362412.db2.gz AXEKXJGAMXFRKR-HNNXBMFYSA-N 0 0 300.402 3.033 10 30 DGEERN N#Cc1cc(NC(=O)c2cn3ccnc3s2)ccc1Cl ZINC000188190968 228452560 /nfs/dbraw/zinc/45/25/60/228452560.db2.gz IZSHHVWEVGAIQI-UHFFFAOYSA-N 0 0 302.746 3.173 10 30 DGEERN O=C(ON=Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000254351394 228638692 /nfs/dbraw/zinc/63/86/92/228638692.db2.gz LIYCQMJARGTULN-UHFFFAOYSA-N 0 0 303.701 3.260 10 30 DGEERN COc1cccc(CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000328777219 228913631 /nfs/dbraw/zinc/91/36/31/228913631.db2.gz SUIGCERFQYTAGC-OAHLLOKOSA-N 0 0 318.417 3.471 10 30 DGEERN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1CC1 ZINC000330125042 228977376 /nfs/dbraw/zinc/97/73/76/228977376.db2.gz IFOWVNUXAQXWBY-YOEHRIQHSA-N 0 0 311.385 3.377 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CCSc3ccccc32)C1 ZINC000333146069 229037391 /nfs/dbraw/zinc/03/73/91/229037391.db2.gz ZVLQBPQTEWDKHA-YDHLFZDLSA-N 0 0 300.427 3.465 10 30 DGEERN CCn1cc(Br)cc1C(=O)N1CCC(C)(C#N)CC1 ZINC000356994093 229344568 /nfs/dbraw/zinc/34/45/68/229344568.db2.gz XBYRRMRBEVMKQP-UHFFFAOYSA-N 0 0 324.222 3.036 10 30 DGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358731932 229365392 /nfs/dbraw/zinc/36/53/92/229365392.db2.gz IRBAHQDFOGBNAM-GHMZBOCLSA-N 0 0 305.344 3.299 10 30 DGEERN Cc1nc(C(F)(F)F)sc1C(=O)NC1(C#N)CCCC1 ZINC000360008998 229386945 /nfs/dbraw/zinc/38/69/45/229386945.db2.gz YPKDJNSSMQBNAW-UHFFFAOYSA-N 0 0 303.309 3.037 10 30 DGEERN N#Cc1cc(Cl)ccc1NC[C@H]1COc2ccccc2O1 ZINC000301172584 229543718 /nfs/dbraw/zinc/54/37/18/229543718.db2.gz UXYYEAQDWYJDND-ZDUSSCGKSA-N 0 0 300.745 3.464 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301177145 229545990 /nfs/dbraw/zinc/54/59/90/229545990.db2.gz GKCIQFZCWSCMEU-AWEZNQCLSA-N 0 0 308.341 3.157 10 30 DGEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)c(Br)s1 ZINC000408288525 229622979 /nfs/dbraw/zinc/62/29/79/229622979.db2.gz YEXJFFKTBGOWHM-WPRPVWTQSA-N 0 0 313.220 3.241 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2cccc(F)c2C#N)cc1F ZINC000186266260 263653367 /nfs/dbraw/zinc/65/33/67/263653367.db2.gz KYRFVJSYAXIHTG-JTQLQIEISA-N 0 0 316.307 3.336 10 30 DGEERN N#Cc1csc(CNCc2ccc(Br)cc2)n1 ZINC000352836637 265189760 /nfs/dbraw/zinc/18/97/60/265189760.db2.gz VTIYNCDPPLWJDS-UHFFFAOYSA-N 0 0 308.204 3.067 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000362718175 265653296 /nfs/dbraw/zinc/65/32/96/265653296.db2.gz ZXEMKEVELPMJDO-UHFFFAOYSA-N 0 0 307.353 3.102 10 30 DGEERN COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1C#N ZINC000172688554 432229377 /nfs/dbraw/zinc/22/93/77/432229377.db2.gz VRGVBMITVVRJPD-UHFFFAOYSA-N 0 0 313.313 3.096 10 30 DGEERN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)cc1Br ZINC000191184528 432232702 /nfs/dbraw/zinc/23/27/02/432232702.db2.gz JGDZIEFNRMTKDR-QWRGUYRKSA-N 0 0 323.234 3.054 10 30 DGEERN Cc1nnnn1-c1cccc(N[C@@H](C)c2ccc(C#N)s2)c1 ZINC000182869267 432236521 /nfs/dbraw/zinc/23/65/21/432236521.db2.gz CYIQTVUSHMMTFK-JTQLQIEISA-N 0 0 310.386 3.077 10 30 DGEERN CCCOCc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531146429 267027006 /nfs/dbraw/zinc/02/70/06/267027006.db2.gz NTDXJLOSIVGVJX-UHFFFAOYSA-N 0 0 322.408 3.344 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)c2nc(C)cc(C#N)n2)C12CCCCC2 ZINC000519710470 267156992 /nfs/dbraw/zinc/15/69/92/267156992.db2.gz UOPCEQIRKCSOMT-CVEARBPZSA-N 0 0 314.433 3.221 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000370232628 267287927 /nfs/dbraw/zinc/28/79/27/267287927.db2.gz JLKZVBABLUKOKJ-CYBMUJFWSA-N 0 0 322.412 3.457 10 30 DGEERN N#Cc1ccc(CCC(=O)Nc2cccc3c2OCCC3)cc1 ZINC000370494536 268061804 /nfs/dbraw/zinc/06/18/04/268061804.db2.gz FZXWPSAIHOZLJQ-UHFFFAOYSA-N 0 0 306.365 3.455 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000531149338 268272108 /nfs/dbraw/zinc/27/21/08/268272108.db2.gz PNXSCMHCXQOAKR-LJQANCHMSA-N 0 0 304.393 3.334 10 30 DGEERN N#Cc1cccc(CC(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC000531607617 268273796 /nfs/dbraw/zinc/27/37/96/268273796.db2.gz RHNVUODZCQFIIQ-UHFFFAOYSA-N 0 0 304.393 3.382 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000527274428 268274010 /nfs/dbraw/zinc/27/40/10/268274010.db2.gz MYOBDRGROJECJC-KRWDZBQOSA-N 0 0 308.356 3.256 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 ZINC000530668762 268277935 /nfs/dbraw/zinc/27/79/35/268277935.db2.gz XQAQRCLQHKFFAS-UHFFFAOYSA-N 0 0 320.327 3.064 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC000530676833 268277967 /nfs/dbraw/zinc/27/79/67/268277967.db2.gz RNBWELXPBULIQJ-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000357425374 268297047 /nfs/dbraw/zinc/29/70/47/268297047.db2.gz KEWSOJVJUCMGKD-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353926 268300537 /nfs/dbraw/zinc/30/05/37/268300537.db2.gz FVRUXHHDSRUGSE-UHFFFAOYSA-N 0 0 319.389 3.421 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247560060 432241581 /nfs/dbraw/zinc/24/15/81/432241581.db2.gz ZNURBDFXMYBAEO-MELADBBJSA-N 0 0 310.438 3.151 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)s2)c1 ZINC000362519670 271039718 /nfs/dbraw/zinc/03/97/18/271039718.db2.gz NDVPSYICMQPJOA-VHSXEESVSA-N 0 0 303.774 3.410 10 30 DGEERN C#CCOc1cccc(NC(=O)CCCC[C@@H](C)C(C)=O)c1 ZINC000151599923 432259293 /nfs/dbraw/zinc/25/92/93/432259293.db2.gz NPSBMAHDKFUEQK-CQSZACIVSA-N 0 0 301.386 3.423 10 30 DGEERN C#CCCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000180515625 275379117 /nfs/dbraw/zinc/37/91/17/275379117.db2.gz WBAHMLMNCPYWAB-AEFFLSMTSA-N 0 0 318.848 3.395 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)sc2C1 ZINC000328883698 287825954 /nfs/dbraw/zinc/82/59/54/287825954.db2.gz MHYGNVYFMPHKCV-GAJTVXKRSA-N 0 0 321.446 3.161 10 30 DGEERN CCN(CC)C(=O)[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000177168045 276092741 /nfs/dbraw/zinc/09/27/41/276092741.db2.gz HRMQLTLWJJXHFU-QGZVFWFLSA-N 0 0 318.848 3.024 10 30 DGEERN CCCN(Cc1c(C)nn(C)c1OC)Cc1ccc(C#N)cc1 ZINC000119266492 276255547 /nfs/dbraw/zinc/25/55/47/276255547.db2.gz ATLVYJNKWXVLCE-UHFFFAOYSA-N 0 0 312.417 3.021 10 30 DGEERN CCN1CCN(C(=O)c2ccc(C#N)cc2C)c2ccccc21 ZINC000178704473 276382535 /nfs/dbraw/zinc/38/25/35/276382535.db2.gz RDVMYAYARVYBCY-UHFFFAOYSA-N 0 0 305.381 3.353 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCCNc1ccc(C)cn1 ZINC000623627191 429926872 /nfs/dbraw/zinc/92/68/72/429926872.db2.gz UFBWOGHXWSXQGA-UHFFFAOYSA-N 0 0 304.438 3.094 10 30 DGEERN C=CCCCCCNc1ccc2nnc(-c3ccncc3)n2n1 ZINC000631346672 429982189 /nfs/dbraw/zinc/98/21/89/429982189.db2.gz NYYGWTVGALAHQS-UHFFFAOYSA-N 0 0 308.389 3.345 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000626566608 429950434 /nfs/dbraw/zinc/95/04/34/429950434.db2.gz DUTGPKBFNYBDQK-UHFFFAOYSA-N 0 0 307.785 3.107 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000278538079 276875759 /nfs/dbraw/zinc/87/57/59/276875759.db2.gz MLBALHRSUKYVTH-VXNVDRBHSA-N 0 0 306.309 3.082 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000362301738 276875806 /nfs/dbraw/zinc/87/58/06/276875806.db2.gz UQNDPPGOAGHWOV-ZWNOBZJWSA-N 0 0 314.307 3.329 10 30 DGEERN C=CCCC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000364633111 276883133 /nfs/dbraw/zinc/88/31/33/276883133.db2.gz NKSRAUJJSKXUFO-IBGZPJMESA-N 0 0 315.413 3.120 10 30 DGEERN C=CCNc1ncc(C(=O)Nc2cccc3c2OCCC3)s1 ZINC000533221950 430158550 /nfs/dbraw/zinc/15/85/50/430158550.db2.gz FDUKYTHAAKHEGT-UHFFFAOYSA-N 0 0 315.398 3.318 10 30 DGEERN CNC(=S)N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000013683795 277262520 /nfs/dbraw/zinc/26/25/20/277262520.db2.gz DFCSYAVULDGMRQ-TWQQJCIXSA-N 0 0 311.410 3.008 10 30 DGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000171156451 277283019 /nfs/dbraw/zinc/28/30/19/277283019.db2.gz ZMGVJSNUHGXZLV-CQSZACIVSA-N 0 0 324.384 3.370 10 30 DGEERN CC(C)C1(c2ccccc2)CN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000334117761 277339178 /nfs/dbraw/zinc/33/91/78/277339178.db2.gz IPVFUJRDZVLHHB-RDJZCZTQSA-N 0 0 311.429 3.298 10 30 DGEERN C=C(C)CN(CC)S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000480955268 277773783 /nfs/dbraw/zinc/77/37/83/277773783.db2.gz STDXVOOLBWNLTH-UHFFFAOYSA-N 0 0 314.495 3.176 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)CCOCC1 ZINC000424734389 277825639 /nfs/dbraw/zinc/82/56/39/277825639.db2.gz JUXBODNKPVZZDZ-CABCVRRESA-N 0 0 309.450 3.069 10 30 DGEERN C=CCCOCCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621284514 430601077 /nfs/dbraw/zinc/60/10/77/430601077.db2.gz UYYPPZAUEONFPE-UHFFFAOYSA-N 0 0 301.365 3.211 10 30 DGEERN C[C@H](Nc1cc(C#N)c2ccccc2n1)C(=O)N1CCCC[C@H]1C ZINC000609892766 430563823 /nfs/dbraw/zinc/56/38/23/430563823.db2.gz XXVOOMURAAVURU-KGLIPLIRSA-N 0 0 322.412 3.308 10 30 DGEERN C=C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)OC ZINC000619687362 430596832 /nfs/dbraw/zinc/59/68/32/430596832.db2.gz RNMGBIGJHKKAKF-SNVBAGLBSA-N 0 0 307.400 3.101 10 30 DGEERN C=CCn1c(N2CC3(CCC3)C[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453434234 277893710 /nfs/dbraw/zinc/89/37/10/277893710.db2.gz DZNPKWVEGAFNSE-WMLDXEAASA-N 0 0 316.449 3.259 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425037526 277923800 /nfs/dbraw/zinc/92/38/00/277923800.db2.gz KPPBFQWYGHTDET-ZBFHGGJFSA-N 0 0 307.434 3.149 10 30 DGEERN C[C@@H]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)C2)C1 ZINC000408105000 278591729 /nfs/dbraw/zinc/59/17/29/278591729.db2.gz GEUPTWOXFJEWPS-BDJLRTHQSA-N 0 0 300.362 3.065 10 30 DGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1c(C#N)nnc2ccccc21 ZINC000480554764 279098510 /nfs/dbraw/zinc/09/85/10/279098510.db2.gz MTDSXYHWJCXLKX-MWLCHTKSSA-N 0 0 306.291 3.279 10 30 DGEERN Cc1ccc(NC(=S)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000498110 431193528 /nfs/dbraw/zinc/19/35/28/431193528.db2.gz MUNXJZAPUIPXOA-MHWRWJLKSA-N 0 0 314.370 3.224 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)CCCCC#N ZINC000068879032 431148212 /nfs/dbraw/zinc/14/82/12/431148212.db2.gz SHOBYKHRLCCRAE-RBSFLKMASA-N 0 0 300.468 3.060 10 30 DGEERN N#CCCCCS(=O)(=O)N(Cc1ccco1)C1CCCC1 ZINC000068882412 431148578 /nfs/dbraw/zinc/14/85/78/431148578.db2.gz ZKFAJTNYPDAJLO-UHFFFAOYSA-N 0 0 310.419 3.048 10 30 DGEERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000108827380 431156822 /nfs/dbraw/zinc/15/68/22/431156822.db2.gz SIMIFQZQPWLRDC-AMIZOPFISA-N 0 0 313.184 3.179 10 30 DGEERN N#C[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C1CC1 ZINC000108832716 431158088 /nfs/dbraw/zinc/15/80/88/431158088.db2.gz SOEJXJNZYQMOER-ZDUSSCGKSA-N 0 0 323.274 3.098 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCOc4ccc(F)cc43)cc2)CC1 ZINC000181766823 279478645 /nfs/dbraw/zinc/47/86/45/279478645.db2.gz JECYFJJKORJJQM-UHFFFAOYSA-N 0 0 322.339 3.420 10 30 DGEERN Cc1c(C(=O)N(C)[C@H](C)CC#N)cnn1-c1ccccc1Cl ZINC000069702741 431213926 /nfs/dbraw/zinc/21/39/26/431213926.db2.gz VJIGJFCSTDRTKC-LLVKDONJSA-N 0 0 316.792 3.208 10 30 DGEERN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)o2)cc1 ZINC000001248172 431217816 /nfs/dbraw/zinc/21/78/16/431217816.db2.gz GPUJLPVIXFIWRW-SXGWCWSVSA-N 0 0 314.370 3.026 10 30 DGEERN Cc1ccc(C[C@@H](Nc2nccnc2C#N)c2ccccn2)cc1 ZINC000071908985 431312987 /nfs/dbraw/zinc/31/29/87/431312987.db2.gz NWNUTNACBLJFDN-QGZVFWFLSA-N 0 0 315.380 3.448 10 30 DGEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(Br)cc1 ZINC000071177991 431271951 /nfs/dbraw/zinc/27/19/51/431271951.db2.gz NRBAVQJMGYKKLI-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN C/C(=N/NC(=S)NC1CCCCC1)c1cc(C)ccc1O ZINC000007013803 431330719 /nfs/dbraw/zinc/33/07/19/431330719.db2.gz SMTLQYZAASQDMB-PDGQHHTCSA-N 0 0 305.447 3.221 10 30 DGEERN CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](C)c1cccnc1 ZINC000115228383 431440017 /nfs/dbraw/zinc/44/00/17/431440017.db2.gz UOLORNDPNNVEMY-LSDHHAIUSA-N 0 0 323.396 3.330 10 30 DGEERN Cc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1Oc1ccncc1 ZINC000115376971 431451576 /nfs/dbraw/zinc/45/15/76/431451576.db2.gz PXSQDZGFOFLQSR-INIZCTEOSA-N 0 0 307.353 3.214 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000116811312 431530046 /nfs/dbraw/zinc/53/00/46/431530046.db2.gz CXGAZZAALRGWLT-BDJLRTHQSA-N 0 0 301.346 3.106 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000116970850 431540259 /nfs/dbraw/zinc/54/02/59/431540259.db2.gz VSULGHDJWRPBFR-CYBMUJFWSA-N 0 0 306.381 3.343 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000116973146 431541200 /nfs/dbraw/zinc/54/12/00/431541200.db2.gz RZDNHTCSMVUOSS-INIZCTEOSA-N 0 0 301.434 3.181 10 30 DGEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000013074706 431547211 /nfs/dbraw/zinc/54/72/11/431547211.db2.gz TVKPKDSNWLWUAM-GZTJUZNOSA-N 0 0 313.313 3.202 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000076485605 431552135 /nfs/dbraw/zinc/55/21/35/431552135.db2.gz OVTNGSBQUVCZHM-CJNGLKHVSA-N 0 0 300.402 3.319 10 30 DGEERN CCN(CCC#N)C(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000076903577 431564891 /nfs/dbraw/zinc/56/48/91/431564891.db2.gz BBMLZAZZRCYSKT-ZDUSSCGKSA-N 0 0 307.825 3.095 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000076951947 431563812 /nfs/dbraw/zinc/56/38/12/431563812.db2.gz LKLFJEGBSWISOW-MRXNPFEDSA-N 0 0 301.434 3.121 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117573504 431568034 /nfs/dbraw/zinc/56/80/34/431568034.db2.gz XYWIXJICVRTJIL-APPDUMDISA-N 0 0 309.321 3.037 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000077447516 431597814 /nfs/dbraw/zinc/59/78/14/431597814.db2.gz CBPMNTNVRPKNHF-UHFFFAOYSA-N 0 0 301.390 3.391 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000078336069 431661088 /nfs/dbraw/zinc/66/10/88/431661088.db2.gz VBZNDJBBBJMTRG-KBPBESRZSA-N 0 0 301.365 3.029 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000078547370 431680974 /nfs/dbraw/zinc/68/09/74/431680974.db2.gz VWMRUEPYAXESAI-ZIAGYGMSSA-N 0 0 313.319 3.376 10 30 DGEERN C=C(C)CN(CC)C(=O)NCCc1ccc(OC)cc1Cl ZINC000119358172 431681722 /nfs/dbraw/zinc/68/17/22/431681722.db2.gz VXHXPUPYDGKGKM-UHFFFAOYSA-N 0 0 310.825 3.499 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN1[C@H](C)COC[C@H]1C ZINC000120812067 431733536 /nfs/dbraw/zinc/73/35/36/431733536.db2.gz SSHQRIGFGBIXED-ZIAGYGMSSA-N 0 0 320.458 3.012 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000079602948 431734210 /nfs/dbraw/zinc/73/42/10/431734210.db2.gz QXKUJBSHFJUCSJ-GFCCVEGCSA-N 0 0 324.384 3.236 10 30 DGEERN COc1cc(C#N)ccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000121208509 431752886 /nfs/dbraw/zinc/75/28/86/431752886.db2.gz NLJLLCOYEKOBHS-KRWDZBQOSA-N 0 0 314.410 3.202 10 30 DGEERN C[C@@H](CC#N)NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000081306493 431789313 /nfs/dbraw/zinc/78/93/13/431789313.db2.gz IVCLEUJUOJVMLZ-KRWDZBQOSA-N 0 0 321.424 3.107 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000081728582 431797348 /nfs/dbraw/zinc/79/73/48/431797348.db2.gz XJOIJJNMQAWABZ-UHFFFAOYSA-N 0 0 317.352 3.288 10 30 DGEERN O[C@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924971 431808294 /nfs/dbraw/zinc/80/82/94/431808294.db2.gz CQZFMAQTGWBIHM-VHSXEESVSA-N 0 0 319.220 3.332 10 30 DGEERN Cc1ccc(NC(=S)N/N=C\c2ccc(N(C)C)cc2)cc1 ZINC000033319099 431813129 /nfs/dbraw/zinc/81/31/29/431813129.db2.gz YHHMOFBXKAZYNE-PDGQHHTCSA-N 0 0 312.442 3.382 10 30 DGEERN C=CCCCN(C)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000080388422 431766719 /nfs/dbraw/zinc/76/67/19/431766719.db2.gz PMAOVTDYWCGPAY-UHFFFAOYSA-N 0 0 300.402 3.002 10 30 DGEERN Cc1cc(Br)ccc1NC(=O)c1cc(C#N)cn1C ZINC000080940508 431779215 /nfs/dbraw/zinc/77/92/15/431779215.db2.gz JGCKXGGTSTUDRC-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(C#N)cn1C ZINC000081027645 431783771 /nfs/dbraw/zinc/78/37/71/431783771.db2.gz QQBKFUYWCKZFFK-CQSZACIVSA-N 0 0 311.385 3.242 10 30 DGEERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(C#N)cn1C ZINC000081027641 431784315 /nfs/dbraw/zinc/78/43/15/431784315.db2.gz QQBKFUYWCKZFFK-AWEZNQCLSA-N 0 0 311.385 3.242 10 30 DGEERN N#Cc1cccnc1N1CCN(Cc2coc3ccccc23)CC1 ZINC000122917632 431848983 /nfs/dbraw/zinc/84/89/83/431848983.db2.gz SQIIUBNRAOPRRY-UHFFFAOYSA-N 0 0 318.380 3.022 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CCCCO1 ZINC000087208849 431851368 /nfs/dbraw/zinc/85/13/68/431851368.db2.gz BPIJZWFZIJFTAD-INIZCTEOSA-N 0 0 318.373 3.069 10 30 DGEERN N#C[C@@H](N[C@@H](CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000038329498 431856277 /nfs/dbraw/zinc/85/62/77/431856277.db2.gz BRLUMYAYSUWXEL-HESWJOIASA-N 0 0 310.441 3.418 10 30 DGEERN CCCOc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123341571 431862360 /nfs/dbraw/zinc/86/23/60/431862360.db2.gz XUXGFTKHDUAHLL-UHFFFAOYSA-N 0 0 320.396 3.285 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000084806713 431833272 /nfs/dbraw/zinc/83/32/72/431833272.db2.gz YTZOWJQLRHPVLP-UHFFFAOYSA-N 0 0 323.730 3.462 10 30 DGEERN COc1ccc(COc2ccc(C(C)=O)cc2OC)cc1C#N ZINC000125004697 431910850 /nfs/dbraw/zinc/91/08/50/431910850.db2.gz XWSWCDPRJBQCAS-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN N#CCCN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccn1 ZINC000093100754 431913564 /nfs/dbraw/zinc/91/35/64/431913564.db2.gz GGYMWUQDLNEVJB-UHFFFAOYSA-N 0 0 317.396 3.388 10 30 DGEERN N#Cc1ccc(CN2CCN(c3ccc(F)cc3Cl)CC2)o1 ZINC000093866369 431919194 /nfs/dbraw/zinc/91/91/94/431919194.db2.gz SJBZQTGZODIBLF-UHFFFAOYSA-N 0 0 319.767 3.266 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000125276805 431919799 /nfs/dbraw/zinc/91/97/99/431919799.db2.gz XECXBLPQECVFFD-OAHLLOKOSA-N 0 0 301.434 3.218 10 30 DGEERN C[NH+](C)C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000125308946 431921284 /nfs/dbraw/zinc/92/12/84/431921284.db2.gz BMCSJBVVOVPCFM-SFHVURJKSA-N 0 0 322.412 3.177 10 30 DGEERN C=CCn1c(SCC(=O)[C@H](C)CC)nnc1-c1ccccn1 ZINC000089692118 431874648 /nfs/dbraw/zinc/87/46/48/431874648.db2.gz YJIKKGDESLZGEO-GFCCVEGCSA-N 0 0 316.430 3.233 10 30 DGEERN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C#N)n1C ZINC000450124772 280865509 /nfs/dbraw/zinc/86/55/09/280865509.db2.gz HTPIVQKRSQQWEF-MRXNPFEDSA-N 0 0 309.413 3.380 10 30 DGEERN C=CCCOCCNC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000124622601 431900185 /nfs/dbraw/zinc/90/01/85/431900185.db2.gz BJWMEPTXWMYPMF-UHFFFAOYSA-N 0 0 315.373 3.364 10 30 DGEERN CCOC(=O)/C(C)=N\N(C)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000095938632 431926849 /nfs/dbraw/zinc/92/68/49/431926849.db2.gz OHYVKQZSOCFFED-WSVATBPTSA-N 0 0 323.702 3.129 10 30 DGEERN COc1ccc(Br)cc1Sc1cnc(C#N)cn1 ZINC000125483347 431927005 /nfs/dbraw/zinc/92/70/05/431927005.db2.gz DJVMSCQXYZEJMB-UHFFFAOYSA-N 0 0 322.187 3.271 10 30 DGEERN CC(C)(C)OC(=O)n1ccc2c1ncc(Br)c2C#N ZINC000095937085 431927328 /nfs/dbraw/zinc/92/73/28/431927328.db2.gz HEYBBQVOJLTQDK-UHFFFAOYSA-N 0 0 322.162 3.454 10 30 DGEERN COc1ccc2c(c1)N(C(=O)c1ccc(C#N)cc1C)C[C@H](C)O2 ZINC000125902731 431937826 /nfs/dbraw/zinc/93/78/26/431937826.db2.gz LXOUWXGTJGGODS-ZDUSSCGKSA-N 0 0 322.364 3.303 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000126111024 431942911 /nfs/dbraw/zinc/94/29/11/431942911.db2.gz KZNGHENSJHQZAU-HNNXBMFYSA-N 0 0 324.384 3.350 10 30 DGEERN C=CCOc1c(Br)cc(C[N@@H+](C)CC)cc1OC ZINC000126288415 431946291 /nfs/dbraw/zinc/94/62/91/431946291.db2.gz XBBISOQNZKDHSX-UHFFFAOYSA-N 0 0 314.223 3.474 10 30 DGEERN N#Cc1cnc(NCCc2csc(-c3ccccc3)n2)cn1 ZINC000126768430 431957789 /nfs/dbraw/zinc/95/77/89/431957789.db2.gz BCTVFIPMMIPFQL-UHFFFAOYSA-N 0 0 307.382 3.126 10 30 DGEERN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)n1 ZINC000097214187 431965249 /nfs/dbraw/zinc/96/52/49/431965249.db2.gz TWHPIBYSLBBANK-CQSZACIVSA-N 0 0 309.369 3.285 10 30 DGEERN O=S(=O)(c1ccc(/N=C\c2ccccc2)cc1)N1CCCC1 ZINC000100235628 431981122 /nfs/dbraw/zinc/98/11/22/431981122.db2.gz GVSVOKFPCDFANF-JXAWBTAJSA-N 0 0 314.410 3.222 10 30 DGEERN C=CCOc1ccccc1CNc1ccc2c(c1)oc(=O)n2C ZINC000127854678 431982340 /nfs/dbraw/zinc/98/23/40/431982340.db2.gz DLQADIDGPCQLAL-UHFFFAOYSA-N 0 0 310.353 3.308 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCC(=O)NC ZINC000191489221 432270286 /nfs/dbraw/zinc/27/02/86/432270286.db2.gz XONMAPBOFZJHTO-UHFFFAOYSA-N 0 0 317.433 3.138 10 30 DGEERN CCN(C(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1ccc(C#N)cc1 ZINC000151858796 432282892 /nfs/dbraw/zinc/28/28/92/432282892.db2.gz ZRWSEHGOEDBFSD-SCLBCKFNSA-N 0 0 306.365 3.476 10 30 DGEERN CC1(C)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151997983 432295498 /nfs/dbraw/zinc/29/54/98/432295498.db2.gz OWHGLUOFIONOFP-UHFFFAOYSA-N 0 0 313.401 3.068 10 30 DGEERN C=C[C@@H]1CC[C@@H](O)[C@H](N(C)C(=S)Nc2ccccc2C)C1 ZINC000102970026 432000585 /nfs/dbraw/zinc/00/05/85/432000585.db2.gz PUUAMWUOMHYSEZ-FVQBIDKESA-N 0 0 304.459 3.339 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C(N)=O)C(C)C ZINC000191427505 432263199 /nfs/dbraw/zinc/26/31/99/432263199.db2.gz FBGKMMNPHZVWCD-HNNXBMFYSA-N 0 0 317.433 3.170 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)CCC1 ZINC000191452864 432267167 /nfs/dbraw/zinc/26/71/67/432267167.db2.gz QKMFCYVKAQDOCW-AWEZNQCLSA-N 0 0 314.433 3.065 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000191947329 432316125 /nfs/dbraw/zinc/31/61/25/432316125.db2.gz BFNLEEMTNHRXPJ-SWLSCSKDSA-N 0 0 300.402 3.002 10 30 DGEERN Cc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1C ZINC000183688011 432316236 /nfs/dbraw/zinc/31/62/36/432316236.db2.gz QQDDYKZDHZUHAE-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183701393 432317147 /nfs/dbraw/zinc/31/71/47/432317147.db2.gz YJQISFUYGPSJQR-QGZVFWFLSA-N 0 0 324.355 3.299 10 30 DGEERN C#CCCCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000192092167 432332755 /nfs/dbraw/zinc/33/27/55/432332755.db2.gz RJMBVQOFVXSUHT-INIZCTEOSA-N 0 0 301.386 3.171 10 30 DGEERN Cc1ccc(CCC(=O)NCCOc2ccc(C#N)cc2)c(C)c1 ZINC000173885885 432307084 /nfs/dbraw/zinc/30/70/84/432307084.db2.gz SSTYXVOFPQTBIT-UHFFFAOYSA-N 0 0 322.408 3.303 10 30 DGEERN CC(C)C[C@@H](C)CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183649681 432313321 /nfs/dbraw/zinc/31/33/21/432313321.db2.gz AJAGFDULCVFRKK-CYBMUJFWSA-N 0 0 311.389 3.150 10 30 DGEERN C=CCCCCCS[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000192548585 432387273 /nfs/dbraw/zinc/38/72/73/432387273.db2.gz PISQNXLQBIFKCN-CQSZACIVSA-N 0 0 307.463 3.313 10 30 DGEERN CC(C)c1noc2ncc(C(=O)Nc3ccc(C#N)cc3)cc21 ZINC000192654075 432396499 /nfs/dbraw/zinc/39/64/99/432396499.db2.gz UQWGZAGZRHAIRZ-UHFFFAOYSA-N 0 0 306.325 3.470 10 30 DGEERN COc1cccc(N=Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000254387187 432402538 /nfs/dbraw/zinc/40/25/38/432402538.db2.gz OWNSQEXUMSVPCP-UHFFFAOYSA-N 0 0 301.342 3.472 10 30 DGEERN CCNC(=S)NN=Cc1cccc(OCc2ccccc2)c1 ZINC000254516216 432403816 /nfs/dbraw/zinc/40/38/16/432403816.db2.gz AILLLNAGIOUBEC-UHFFFAOYSA-N 0 0 313.426 3.084 10 30 DGEERN Cc1nnc(C)n1N=Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000254868955 432404984 /nfs/dbraw/zinc/40/49/84/432404984.db2.gz YDMDZJQFPLHCHP-UHFFFAOYSA-N 0 0 316.258 3.014 10 30 DGEERN COc1cccc2c1nc(NCc1ccc(OC)c(C#N)c1)n2C ZINC000184792528 432433306 /nfs/dbraw/zinc/43/33/06/432433306.db2.gz PYJXYEGXKZBSLR-UHFFFAOYSA-N 0 0 322.368 3.074 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)OCC(C)(C)CC#N)C1 ZINC000184820352 432436233 /nfs/dbraw/zinc/43/62/33/432436233.db2.gz DEEIDQDPTBTITG-STQMWFEESA-N 0 0 324.421 3.163 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193010637 432438854 /nfs/dbraw/zinc/43/88/54/432438854.db2.gz GWPHURFRUQPSKV-UHFFFAOYSA-N 0 0 313.401 3.311 10 30 DGEERN CC(C)CC(=O)N1CCC(COc2ccc(C#N)cc2)CC1 ZINC000184963991 432451455 /nfs/dbraw/zinc/45/14/55/432451455.db2.gz CTEBUKJDEUBLAN-UHFFFAOYSA-N 0 0 300.402 3.222 10 30 DGEERN Cc1cccc(C2(NC(=O)c3ccnc(C#N)c3)CCCC2)c1 ZINC000193120667 432452378 /nfs/dbraw/zinc/45/23/78/432452378.db2.gz RQMHHXRLWHXOFW-UHFFFAOYSA-N 0 0 305.381 3.461 10 30 DGEERN C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000153499452 432415028 /nfs/dbraw/zinc/41/50/28/432415028.db2.gz OBFDXJSKDNUAJR-AWEZNQCLSA-N 0 0 316.364 3.235 10 30 DGEERN COc1ccc(/C=C\C(C)=NNC(=S)NCC(C)C)cc1 ZINC000257352022 432426725 /nfs/dbraw/zinc/42/67/25/432426725.db2.gz INOZONYZTGDEDZ-GOQRIPDPSA-N 0 0 305.447 3.204 10 30 DGEERN C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000193418025 432472572 /nfs/dbraw/zinc/47/25/72/432472572.db2.gz FRTJCDSQNPALTL-SJCJKPOMSA-N 0 0 309.344 3.316 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000193596320 432483583 /nfs/dbraw/zinc/48/35/83/432483583.db2.gz PLYKDRAJYJTODO-NVXWUHKLSA-N 0 0 301.386 3.035 10 30 DGEERN C=CCSCCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176026667 432487003 /nfs/dbraw/zinc/48/70/03/432487003.db2.gz RMWFLHKSGBNBIE-CQSZACIVSA-N 0 0 323.418 3.264 10 30 DGEERN CC(C)C[C@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000185295207 432487861 /nfs/dbraw/zinc/48/78/61/432487861.db2.gz HJHIIBNBORYALL-AWEZNQCLSA-N 0 0 317.408 3.028 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000185356433 432494269 /nfs/dbraw/zinc/49/42/69/432494269.db2.gz WESBZVGMDJQMBS-CYBMUJFWSA-N 0 0 313.319 3.356 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)c2cccc(Cl)c2O1 ZINC000193750106 432494411 /nfs/dbraw/zinc/49/44/11/432494411.db2.gz UKSNGKFFOMNMPZ-SNVBAGLBSA-N 0 0 313.744 3.034 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)OCC)Cc1ccc(F)cc1 ZINC000185382387 432495838 /nfs/dbraw/zinc/49/58/38/432495838.db2.gz DLCPDIFGTMUFBN-CQSZACIVSA-N 0 0 321.392 3.320 10 30 DGEERN C=CCC[C@H](NC(=O)COCc1cc(C)no1)c1ccccc1 ZINC000193793382 432499210 /nfs/dbraw/zinc/49/92/10/432499210.db2.gz VBNDHLISSBFXLK-KRWDZBQOSA-N 0 0 314.385 3.323 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000175789005 432464682 /nfs/dbraw/zinc/46/46/82/432464682.db2.gz XVQQWFGSFRJVRD-RDJZCZTQSA-N 0 0 323.400 3.369 10 30 DGEERN N#Cc1cnc(Nc2ccc3c(c2)nc2n3CCCCC2)cn1 ZINC000185112470 432467100 /nfs/dbraw/zinc/46/71/00/432467100.db2.gz KNDDFWXDPWMUGF-UHFFFAOYSA-N 0 0 304.357 3.168 10 30 DGEERN COc1cccc(Cl)c1CC(=O)Nc1cccc(C#N)c1 ZINC000155300384 432549485 /nfs/dbraw/zinc/54/94/85/432549485.db2.gz VTTQQEJIDYXXHY-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000185955535 432549529 /nfs/dbraw/zinc/54/95/29/432549529.db2.gz TYGKODVADCWOFU-OAHLLOKOSA-N 0 0 301.390 3.110 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)c1ccccc1S(=O)(=O)CC ZINC000185967868 432550909 /nfs/dbraw/zinc/55/09/09/432550909.db2.gz XQOOAZGKENVHEF-CQSZACIVSA-N 0 0 323.458 3.435 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000185988130 432551870 /nfs/dbraw/zinc/55/18/70/432551870.db2.gz JFSDUAVAVCPPRJ-OAHLLOKOSA-N 0 0 301.434 3.017 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000186070468 432555866 /nfs/dbraw/zinc/55/58/66/432555866.db2.gz LQZSISYECJVNJH-VMWRSERWSA-N 0 0 316.445 3.197 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000186052763 432556289 /nfs/dbraw/zinc/55/62/89/432556289.db2.gz OOHMPIRUGYWMHS-SJLPKXTDSA-N 0 0 301.430 3.449 10 30 DGEERN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C=O)[C@H]1CCC2=O ZINC000263611946 432559676 /nfs/dbraw/zinc/55/96/76/432559676.db2.gz XRCFMDPVHKVRDJ-BQUOXIOCSA-N 0 0 300.398 3.266 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1occc1Br ZINC000176862735 432559739 /nfs/dbraw/zinc/55/97/39/432559739.db2.gz GQLIOWXWNQMXOU-UHFFFAOYSA-N 0 0 312.085 3.233 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000194562724 432560855 /nfs/dbraw/zinc/56/08/55/432560855.db2.gz AQYJJKDGPLNPMU-WDEREUQCSA-N 0 0 310.385 3.326 10 30 DGEERN c1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000263629249 432561061 /nfs/dbraw/zinc/56/10/61/432561061.db2.gz VCOMDCHAKLVVOA-UHFFFAOYSA-N 0 0 314.352 3.262 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3cccs3)C2)c1 ZINC000273187307 432563315 /nfs/dbraw/zinc/56/33/15/432563315.db2.gz BZINNASHXYHCHY-INIZCTEOSA-N 0 0 312.394 3.400 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000185613602 432517360 /nfs/dbraw/zinc/51/73/60/432517360.db2.gz PBTVPNANOKGCIV-CYBMUJFWSA-N 0 0 307.463 3.004 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000185740661 432528840 /nfs/dbraw/zinc/52/88/40/432528840.db2.gz XFWBUWVIVNGBMR-WBVHZDCISA-N 0 0 317.429 3.127 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000185776262 432532153 /nfs/dbraw/zinc/53/21/53/432532153.db2.gz WHSSDEOYKWWLKU-ZDUSSCGKSA-N 0 0 320.399 3.369 10 30 DGEERN C=CCOc1ccccc1CN(C)Cc1nccn1C(F)F ZINC000154993434 432534108 /nfs/dbraw/zinc/53/41/08/432534108.db2.gz PMALGNYPQZOFDM-UHFFFAOYSA-N 0 0 307.344 3.475 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000185891199 432543268 /nfs/dbraw/zinc/54/32/68/432543268.db2.gz ZDYISZAWANVQAW-CYBMUJFWSA-N 0 0 315.417 3.319 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000185909170 432544154 /nfs/dbraw/zinc/54/41/54/432544154.db2.gz HQYQJKJFBNQLCB-AWEZNQCLSA-N 0 0 306.365 3.055 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000185907565 432544821 /nfs/dbraw/zinc/54/48/21/432544821.db2.gz ASHUTXSSAADGAG-SNVBAGLBSA-N 0 0 315.822 3.284 10 30 DGEERN C=CC[C@H](CO)NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000185904551 432545095 /nfs/dbraw/zinc/54/50/95/432545095.db2.gz QEWUEMFNZXZNHN-CQSZACIVSA-N 0 0 307.459 3.129 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000185900458 432545224 /nfs/dbraw/zinc/54/52/24/432545224.db2.gz LWSDVGRJHDKTLG-INIZCTEOSA-N 0 0 319.445 3.196 10 30 DGEERN COc1cccc(Cl)c1CC(=O)Nc1ccc(C#N)cc1 ZINC000155284466 432547070 /nfs/dbraw/zinc/54/70/70/432547070.db2.gz YECUBZWEUYBCBL-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000185942150 432547817 /nfs/dbraw/zinc/54/78/17/432547817.db2.gz CYCXLNZHUKRORT-INIZCTEOSA-N 0 0 322.364 3.017 10 30 DGEERN C=CC[C@H](C(=O)NCc1ccc(CO)c(F)c1)c1ccccc1 ZINC000186545493 432605654 /nfs/dbraw/zinc/60/56/54/432605654.db2.gz TZUADLICUZTWKU-KRWDZBQOSA-N 0 0 313.372 3.294 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000186208813 432569862 /nfs/dbraw/zinc/56/98/62/432569862.db2.gz VISAKNDPTVYEDG-CYBMUJFWSA-N 0 0 322.380 3.206 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)CCc1ccc(C#N)cc1 ZINC000194833043 432579776 /nfs/dbraw/zinc/57/97/76/432579776.db2.gz XVCGYQOQKQMSJA-UHFFFAOYSA-N 0 0 306.365 3.089 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC000186357435 432586492 /nfs/dbraw/zinc/58/64/92/432586492.db2.gz IZNTYXASGOJIEA-ZBFHGGJFSA-N 0 0 320.433 3.019 10 30 DGEERN N#Cc1csc(C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000177110226 432586839 /nfs/dbraw/zinc/58/68/39/432586839.db2.gz ZVJIPIQEIVWUBB-NSHDSACASA-N 0 0 303.412 3.444 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(OCCCC)cc1Cl ZINC000186369401 432588256 /nfs/dbraw/zinc/58/82/56/432588256.db2.gz DRRGMMQFXQBPRH-LBPRGKRZSA-N 0 0 311.809 3.186 10 30 DGEERN CC(C)n1nnnc1CNc1cccc(C#Cc2ccccc2)c1 ZINC000194990907 432593544 /nfs/dbraw/zinc/59/35/44/432593544.db2.gz BUMBLDJWURPSFR-UHFFFAOYSA-N 0 0 317.396 3.266 10 30 DGEERN CCN(Cc1nnc(C2CC2)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000195084658 432599844 /nfs/dbraw/zinc/59/98/44/432599844.db2.gz VSGDAGFFWPLFRG-CYBMUJFWSA-N 0 0 309.417 3.147 10 30 DGEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)c2cccnc2c1C ZINC000177480663 432628353 /nfs/dbraw/zinc/62/83/53/432628353.db2.gz ROBYXOHVGBFLCC-UHFFFAOYSA-N 0 0 304.353 3.314 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000186758467 432628792 /nfs/dbraw/zinc/62/87/92/432628792.db2.gz LMOJAVQPOWOZKY-DLBZAZTESA-N 0 0 302.418 3.154 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(F)c1C#N ZINC000187849404 288393537 /nfs/dbraw/zinc/39/35/37/288393537.db2.gz YCIDRQBYXYVIOO-ACJLOTCBSA-N 0 0 324.355 3.300 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000274314284 432650099 /nfs/dbraw/zinc/65/00/99/432650099.db2.gz YSZALEURGNUOCZ-BBRMVZONSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000274317064 432650756 /nfs/dbraw/zinc/65/07/56/432650756.db2.gz ZRGDKYHDJYAVBZ-OLZOCXBDSA-N 0 0 321.417 3.492 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC000274333555 432653303 /nfs/dbraw/zinc/65/33/03/432653303.db2.gz JQNVECNNBKVCSR-WFASDCNBSA-N 0 0 307.365 3.148 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000187248855 432653906 /nfs/dbraw/zinc/65/39/06/432653906.db2.gz SOCBJGOZJJOEHG-LLVKDONJSA-N 0 0 312.797 3.186 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187555272 432669683 /nfs/dbraw/zinc/66/96/83/432669683.db2.gz XDRWMODZSRETAQ-HOTGVXAUSA-N 0 0 305.443 3.051 10 30 DGEERN C=CCC[C@@H](NC(=O)N(C)CC1(CO)CC1)c1ccccc1 ZINC000187321384 432657522 /nfs/dbraw/zinc/65/75/22/432657522.db2.gz PXFFANXIIHMBLK-MRXNPFEDSA-N 0 0 302.418 3.108 10 30 DGEERN Cc1ccc([C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)o1 ZINC000158839823 432660518 /nfs/dbraw/zinc/66/05/18/432660518.db2.gz ADBIXGGUHLEBAK-IBGZPJMESA-N 0 0 321.380 3.286 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000265410871 432697708 /nfs/dbraw/zinc/69/77/08/432697708.db2.gz GQKWRBGACWGCSL-CQSZACIVSA-N 0 0 313.401 3.076 10 30 DGEERN C=CCCCN(C)C(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000265619731 432715938 /nfs/dbraw/zinc/71/59/38/432715938.db2.gz MZIFBYRCBCDEKK-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN CCC1(CC)CN([C@@H](C)c2cccc(C#N)c2)CC[S@]1=O ZINC000187727602 432679372 /nfs/dbraw/zinc/67/93/72/432679372.db2.gz WDODHFQPKVAMKJ-LHSJRXKWSA-N 0 0 304.459 3.242 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000187757809 432683783 /nfs/dbraw/zinc/68/37/83/432683783.db2.gz HBSWCRBATUJNQO-IBGZPJMESA-N 0 0 314.429 3.364 10 30 DGEERN COc1ccc(OC)c(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187796737 432687214 /nfs/dbraw/zinc/68/72/14/432687214.db2.gz LEFYBIMWPKUPCS-UHFFFAOYSA-N 0 0 322.364 3.246 10 30 DGEERN C=CCSCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275774612 432749099 /nfs/dbraw/zinc/74/90/99/432749099.db2.gz IOTNKIPDTDJMEZ-UHFFFAOYSA-N 0 0 314.794 3.206 10 30 DGEERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3C)C2)c1 ZINC000178536213 432750401 /nfs/dbraw/zinc/75/04/01/432750401.db2.gz CAQJBAFXOSQDSG-MRXNPFEDSA-N 0 0 323.400 3.241 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@](C)(C(=O)OCC)c1ccccc1 ZINC000188909484 432752017 /nfs/dbraw/zinc/75/20/17/432752017.db2.gz AVOYDRUUEYAMMN-BEFAXECRSA-N 0 0 317.429 3.226 10 30 DGEERN Cc1csc([C@H]2COCCN2c2cccc(F)c2C#N)n1 ZINC000189134036 432765514 /nfs/dbraw/zinc/76/55/14/432765514.db2.gz JGIFYBUHUGHQNX-CQSZACIVSA-N 0 0 303.362 3.040 10 30 DGEERN N#C[C@H](NC(=O)c1csc(C(F)(F)F)n1)C1CCCCC1 ZINC000189213929 432770402 /nfs/dbraw/zinc/77/04/02/432770402.db2.gz HFGOIXPEWOCGBN-VIFPVBQESA-N 0 0 317.336 3.364 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000275604460 432734830 /nfs/dbraw/zinc/73/48/30/432734830.db2.gz LADRPJMLEMNLMZ-QGZVFWFLSA-N 0 0 307.390 3.180 10 30 DGEERN Cc1cc(CCNC(=O)C2(C#N)CCCCC2)cc(C)c1O ZINC000188695397 432740533 /nfs/dbraw/zinc/74/05/33/432740533.db2.gz ONBYEUVKIZRDBP-UHFFFAOYSA-N 0 0 300.402 3.142 10 30 DGEERN C[C@@H](C#N)CNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000178503890 432745865 /nfs/dbraw/zinc/74/58/65/432745865.db2.gz BMANFHHTFBBRBZ-QWRGUYRKSA-N 0 0 309.207 3.219 10 30 DGEERN Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000189764152 432816997 /nfs/dbraw/zinc/81/69/97/432816997.db2.gz SVKUEWPFCWQYBN-UHFFFAOYSA-N 0 0 321.336 3.445 10 30 DGEERN C[C@@H]1CN(CCCSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245493194 432837115 /nfs/dbraw/zinc/83/71/15/432837115.db2.gz LAOIDNKEWAADJY-CJNGLKHVSA-N 0 0 308.422 3.234 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000161752618 432796931 /nfs/dbraw/zinc/79/69/31/432796931.db2.gz TXKMTBRMEPLZKA-GUYCJALGSA-N 0 0 300.402 3.192 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000189659832 432809365 /nfs/dbraw/zinc/80/93/65/432809365.db2.gz BBPACCBQQXEYJQ-WMLDXEAASA-N 0 0 302.418 3.469 10 30 DGEERN C=CC[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000189725266 432814594 /nfs/dbraw/zinc/81/45/94/432814594.db2.gz JRFSXLBWRMFBCJ-GOSISDBHSA-N 0 0 323.440 3.486 10 30 DGEERN CS(=O)(=O)C1(C(=O)NCc2ccc(C3CC3)cc2)CCCC1 ZINC000330167911 432895439 /nfs/dbraw/zinc/89/54/39/432895439.db2.gz WCBMQWACYYFILV-UHFFFAOYSA-N 0 0 321.442 3.378 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245750848 432861372 /nfs/dbraw/zinc/86/13/72/432861372.db2.gz HCRRAYWPZPAGSR-DABQJJPHSA-N 0 0 302.374 3.099 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000277594284 432863281 /nfs/dbraw/zinc/86/32/81/432863281.db2.gz GICULEAJTKAFOU-UHFFFAOYSA-N 0 0 320.242 3.233 10 30 DGEERN C#CCC(CC#C)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000277870333 432876586 /nfs/dbraw/zinc/87/65/86/432876586.db2.gz ZULKADWGUXTNBQ-INIZCTEOSA-N 0 0 311.450 3.290 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000288023389 432883322 /nfs/dbraw/zinc/88/33/22/432883322.db2.gz WFEDYIIGVOEXCR-QGZVFWFLSA-N 0 0 301.336 3.361 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(O)cc1 ZINC000288126799 432888202 /nfs/dbraw/zinc/88/82/02/432888202.db2.gz KLTGYJUTUDJXHO-GOSISDBHSA-N 0 0 322.408 3.168 10 30 DGEERN C#C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000288266272 432890244 /nfs/dbraw/zinc/89/02/44/432890244.db2.gz HUAOXDLDYSZVFQ-SMDDNHRTSA-N 0 0 303.362 3.003 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1(C2CC2)CCC1 ZINC000330086882 432891750 /nfs/dbraw/zinc/89/17/50/432891750.db2.gz SMKDXIUOJMIHER-UKRRQHHQSA-N 0 0 303.406 3.035 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3ccc(C#N)cc3C)c2)no1 ZINC000163009008 432841102 /nfs/dbraw/zinc/84/11/02/432841102.db2.gz JIHPYGNNOSHWSX-UHFFFAOYSA-N 0 0 318.336 3.477 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000296892386 432935858 /nfs/dbraw/zinc/93/58/58/432935858.db2.gz NVYXUVLGOGMTER-UHFFFAOYSA-N 0 0 321.424 3.076 10 30 DGEERN C#Cc1ccc(CNC(=O)Nc2ccnn2[C@H](C)C2CC2)cc1 ZINC000296951424 432941205 /nfs/dbraw/zinc/94/12/05/432941205.db2.gz RFTGADLHLAXEEO-CYBMUJFWSA-N 0 0 308.385 3.157 10 30 DGEERN C=CC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000297009930 432948370 /nfs/dbraw/zinc/94/83/70/432948370.db2.gz GJVYPZQNCLAGSH-HUUCEWRRSA-N 0 0 308.372 3.038 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000330206972 432897859 /nfs/dbraw/zinc/89/78/59/432897859.db2.gz FSFHKVFVKVICEN-KFZJALRRSA-N 0 0 302.418 3.381 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000278734044 432899266 /nfs/dbraw/zinc/89/92/66/432899266.db2.gz NRQUUSHZAYRKLM-UHFFFAOYSA-N 0 0 315.417 3.071 10 30 DGEERN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330247668 432899793 /nfs/dbraw/zinc/89/97/93/432899793.db2.gz FTOLNSBCDOJKID-IMBTUZDBSA-N 0 0 314.429 3.084 10 30 DGEERN CC[C@H]1OCCC[C@H]1C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000330281008 432901609 /nfs/dbraw/zinc/90/16/09/432901609.db2.gz TZUCNPYZYVWTGX-UKRRQHHQSA-N 0 0 314.389 3.275 10 30 DGEERN N#Cc1cc2c(nc1NCC1(CO)CC3(CCC3)C1)CCCC2 ZINC000330341156 432904685 /nfs/dbraw/zinc/90/46/85/432904685.db2.gz YWOYKBDMGHARLN-UHFFFAOYSA-N 0 0 311.429 3.187 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc([C@H]3C[C@@H]3C(C)C)n2)c1 ZINC000288999799 432911976 /nfs/dbraw/zinc/91/19/76/432911976.db2.gz SUTSXNNBXRSPFV-CABCVRRESA-N 0 0 311.385 3.412 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](Cc1ccccc1OC)C(C)C ZINC000289015862 432913653 /nfs/dbraw/zinc/91/36/53/432913653.db2.gz ACUZOMXHSFSEKE-SFHVURJKSA-N 0 0 311.425 3.041 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CCC1 ZINC000289664753 432971016 /nfs/dbraw/zinc/97/10/16/432971016.db2.gz MLEGPPXPLKPLFZ-UHFFFAOYSA-N 0 0 313.361 3.028 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C2CC2)n(C)n1 ZINC000289793816 432975429 /nfs/dbraw/zinc/97/54/29/432975429.db2.gz LYQVTZJOIGBCCX-MRXNPFEDSA-N 0 0 322.412 3.054 10 30 DGEERN N#Cc1ccc(CNCc2ccn(Cc3ccccc3)n2)c(F)c1 ZINC000341261525 433008698 /nfs/dbraw/zinc/00/86/98/433008698.db2.gz GMDCIFFZRYVLNN-UHFFFAOYSA-N 0 0 320.371 3.232 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2ccc(C3CC3)cc2F)C1=O ZINC000419943096 433081922 /nfs/dbraw/zinc/08/19/22/433081922.db2.gz PJJDWXOHJKOPDE-HNNXBMFYSA-N 0 0 302.349 3.090 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O ZINC000419943321 433082758 /nfs/dbraw/zinc/08/27/58/433082758.db2.gz PNIMSALLMHFULO-CVEARBPZSA-N 0 0 311.385 3.308 10 30 DGEERN C=C(C)CCN1C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C1=O ZINC000419989633 433095762 /nfs/dbraw/zinc/09/57/62/433095762.db2.gz GZGKXBGWSZTTBG-NVXWUHKLSA-N 0 0 312.413 3.383 10 30 DGEERN C=CC[C@@H]1N(C(=O)[C@H]2CC[C@@H](C(=O)OC)C2)CCCC1(C)C ZINC000412292747 433143535 /nfs/dbraw/zinc/14/35/35/433143535.db2.gz MWSDMGJBRVVDKL-ZNMIVQPWSA-N 0 0 307.434 3.169 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H](CO)C1)c1ccccc1 ZINC000298526565 433164281 /nfs/dbraw/zinc/16/42/81/433164281.db2.gz WWYUQGFJQZKQLB-JQHSSLGASA-N 0 0 301.430 3.404 10 30 DGEERN N#Cc1cccc(CCNC(=O)Nc2cccc3c2OCCC3)c1 ZINC000374169874 433179915 /nfs/dbraw/zinc/17/99/15/433179915.db2.gz GYECVKLTRGMGPP-UHFFFAOYSA-N 0 0 321.380 3.247 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCc2sccc2[C@H]1CC ZINC000298568800 433182852 /nfs/dbraw/zinc/18/28/52/433182852.db2.gz NNDAMIFERWVDQX-CQSZACIVSA-N 0 0 320.458 3.009 10 30 DGEERN C=CCn1c(N2CCC[C@@H]2C(C)C)nnc1[C@@]1(C)CCCO1 ZINC000453444799 433191030 /nfs/dbraw/zinc/19/10/30/433191030.db2.gz SXVKNXJPTMMUJW-RHSMWYFYSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)Cn1c(N2CCC(C)=C(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453464161 433198418 /nfs/dbraw/zinc/19/84/18/433198418.db2.gz KKCLTQNINGRFNG-GOSISDBHSA-N 0 0 316.449 3.426 10 30 DGEERN C=C(C)Cn1c(N(C)Cc2ccoc2)nnc1[C@@]1(C)CCCO1 ZINC000453472729 433201523 /nfs/dbraw/zinc/20/15/23/433201523.db2.gz YDGKHMKBAJFMQL-QGZVFWFLSA-N 0 0 316.405 3.109 10 30 DGEERN C=CC[C@@H](C(=O)NCCc1cccnc1OC)c1ccccc1 ZINC000291376501 433237858 /nfs/dbraw/zinc/23/78/58/433237858.db2.gz ZVSZJFXWZAQITQ-QGZVFWFLSA-N 0 0 310.397 3.109 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCn2c(cc3ccccc32)C1 ZINC000361568186 433251676 /nfs/dbraw/zinc/25/16/76/433251676.db2.gz QRVYQMPCWLPTTE-MRXNPFEDSA-N 0 0 323.440 3.046 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000281091111 433262632 /nfs/dbraw/zinc/26/26/32/433262632.db2.gz UNOVHKWNIPTMAA-GJZGRUSLSA-N 0 0 324.371 3.405 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000420914991 433315577 /nfs/dbraw/zinc/31/55/77/433315577.db2.gz ZWTQFHRFXKIZGH-ZWKOTPCHSA-N 0 0 316.445 3.384 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281190411 433271559 /nfs/dbraw/zinc/27/15/59/433271559.db2.gz SAVSLXUATFANDK-JKSUJKDBSA-N 0 0 314.429 3.100 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338091864 433274518 /nfs/dbraw/zinc/27/45/18/433274518.db2.gz VTFIMOCXAWDUAE-ZWNOBZJWSA-N 0 0 314.307 3.329 10 30 DGEERN C=C(C)[C@H](NC(=O)N1C[C@H](O)CC[C@H]1C)c1ccc(F)c(F)c1 ZINC000420834391 433275510 /nfs/dbraw/zinc/27/55/10/433275510.db2.gz NLWAJKCINMOTJO-KFNAQCHYSA-N 0 0 324.371 3.137 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374793546 433278837 /nfs/dbraw/zinc/27/88/37/433278837.db2.gz LKXOTMFLEJVTNC-HKUYNNGSSA-N 0 0 316.445 3.077 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@H]2CCO[C@@H](CC)C2)cc1 ZINC000420869209 433289468 /nfs/dbraw/zinc/28/94/68/433289468.db2.gz UIXUOUATJWPFGX-HOTGVXAUSA-N 0 0 318.417 3.008 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000425564767 433301655 /nfs/dbraw/zinc/30/16/55/433301655.db2.gz MKJVEEQWMPAION-IMJJTQAJSA-N 0 0 320.820 3.388 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000425564765 433301765 /nfs/dbraw/zinc/30/17/65/433301765.db2.gz MKJVEEQWMPAION-BPUTZDHNSA-N 0 0 320.820 3.388 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413876126 433304377 /nfs/dbraw/zinc/30/43/77/433304377.db2.gz KDYBHNTYFXYNRP-HNNXBMFYSA-N 0 0 305.397 3.012 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000425570936 433305743 /nfs/dbraw/zinc/30/57/43/433305743.db2.gz HKKXXWWXUQVXLK-ROUUACIJSA-N 0 0 314.429 3.018 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000413882470 433306036 /nfs/dbraw/zinc/30/60/36/433306036.db2.gz QKEZPNIHUHIJOG-INIZCTEOSA-N 0 0 317.408 3.012 10 30 DGEERN C=CCOc1ccc(CN([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000361644426 433309156 /nfs/dbraw/zinc/30/91/56/433309156.db2.gz ADDFFTYUHXVRGM-AWEZNQCLSA-N 0 0 303.402 3.167 10 30 DGEERN C=CCCCNC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C ZINC000448019192 433344749 /nfs/dbraw/zinc/34/47/49/433344749.db2.gz UNOUCMBZYMQBOP-UHFFFAOYSA-N 0 0 320.389 3.348 10 30 DGEERN C=CCCC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000281700474 433350226 /nfs/dbraw/zinc/35/02/26/433350226.db2.gz BSWQIGYOXLBAAC-LBPRGKRZSA-N 0 0 310.191 3.355 10 30 DGEERN C=CCCCNC(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000448027674 433350745 /nfs/dbraw/zinc/35/07/45/433350745.db2.gz APCKCPJEFZELBB-OAHLLOKOSA-N 0 0 304.434 3.481 10 30 DGEERN C=CCC1(CNC(=O)NCc2cccnc2N(C)C)CCCC1 ZINC000454270359 433351367 /nfs/dbraw/zinc/35/13/67/433351367.db2.gz XNPYWKMGOSDAMV-UHFFFAOYSA-N 0 0 316.449 3.083 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(-c2ccccc2)c1C ZINC000299294652 433357772 /nfs/dbraw/zinc/35/77/72/433357772.db2.gz LBGDZFDOJTZLEW-UHFFFAOYSA-N 0 0 323.318 3.371 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1coc(Br)c1 ZINC000299292383 433358312 /nfs/dbraw/zinc/35/83/12/433358312.db2.gz JTUPFBIGVIUCPE-UHFFFAOYSA-N 0 0 312.085 3.233 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000299312961 433361952 /nfs/dbraw/zinc/36/19/52/433361952.db2.gz TXZVFVNWLFVAEV-UHFFFAOYSA-N 0 0 312.213 3.291 10 30 DGEERN C=CCCCNC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000447971314 433338081 /nfs/dbraw/zinc/33/80/81/433338081.db2.gz KAORRLACJHWCAO-UHFFFAOYSA-N 0 0 324.446 3.098 10 30 DGEERN C=CCCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000447978087 433338747 /nfs/dbraw/zinc/33/87/47/433338747.db2.gz QPSKOLYESJUZRA-UHFFFAOYSA-N 0 0 324.808 3.267 10 30 DGEERN C=CCCCNC(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000447997810 433343837 /nfs/dbraw/zinc/34/38/37/433343837.db2.gz FKHGKLCVEDYMGM-INIZCTEOSA-N 0 0 301.434 3.168 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)OCC ZINC000375245846 433395744 /nfs/dbraw/zinc/39/57/44/433395744.db2.gz POIPBSADNMMMLF-SFHVURJKSA-N 0 0 314.429 3.474 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000448373205 433402824 /nfs/dbraw/zinc/40/28/24/433402824.db2.gz GKWSOUWYYKLGHG-UHFFFAOYSA-N 0 0 301.173 3.014 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000281931295 433434070 /nfs/dbraw/zinc/43/40/70/433434070.db2.gz RLCJGKLNEUBEDP-INIZCTEOSA-N 0 0 323.440 3.486 10 30 DGEERN N#Cc1cc(Cl)ccc1NCCCNC(=O)c1ccccc1 ZINC000301160503 433436302 /nfs/dbraw/zinc/43/63/02/433436302.db2.gz BJJONNNRTHWGRR-UHFFFAOYSA-N 0 0 313.788 3.444 10 30 DGEERN C=CCC1(c2nc([C@H]3CC(=O)N(CCC)C3)no2)CCCC1 ZINC000351273584 433452463 /nfs/dbraw/zinc/45/24/63/433452463.db2.gz JPGQUJKJJVKONF-ZDUSSCGKSA-N 0 0 303.406 3.183 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000281989450 433456048 /nfs/dbraw/zinc/45/60/48/433456048.db2.gz PJKIMKJQSCLVCS-UHFFFAOYSA-N 0 0 307.350 3.423 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000448622075 433459277 /nfs/dbraw/zinc/45/92/77/433459277.db2.gz OEAKZEZJZMLUNZ-UHFFFAOYSA-N 0 0 321.424 3.382 10 30 DGEERN C=CCNC(=O)c1ccc(NC[C@H]2C[C@@H]2c2ccccc2)nc1 ZINC000301232860 433465433 /nfs/dbraw/zinc/46/54/33/433465433.db2.gz JXGXZNNLHIHGHU-IAGOWNOFSA-N 0 0 307.397 3.213 10 30 DGEERN C[S@](=O)Cc1cc(Nc2ccc(C#N)cn2)ccc1Cl ZINC000301251176 433471514 /nfs/dbraw/zinc/47/15/14/433471514.db2.gz CEEFGUHPIGOEDM-FQEVSTJZSA-N 0 0 305.790 3.229 10 30 DGEERN C=CCC1(c2nc([C@H]3CCOC(C)(C)C3)no2)CCOCC1 ZINC000351312134 433469486 /nfs/dbraw/zinc/46/94/86/433469486.db2.gz PCDQWWPDJBHDRQ-ZDUSSCGKSA-N 0 0 306.406 3.367 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1cc(F)ccc1C#N)C2 ZINC000160169271 292808908 /nfs/dbraw/zinc/80/89/08/292808908.db2.gz UITWLOFFYOXOLS-UHFFFAOYSA-N 0 0 312.392 3.113 10 30 DGEERN C[C@H](C#N)NC(=O)c1sc2ccccc2c1Br ZINC000362125364 433538064 /nfs/dbraw/zinc/53/80/64/433538064.db2.gz WZEOHJQZULIPGA-SSDOTTSWSA-N 0 0 309.188 3.306 10 30 DGEERN C#CC[C@@H](NC(=O)Nc1cn(C)nc1C1CC1)c1ccccc1 ZINC000292170578 433489793 /nfs/dbraw/zinc/48/97/93/433489793.db2.gz YPHWVHKRUMPBQY-OAHLLOKOSA-N 0 0 308.385 3.184 10 30 DGEERN O[C@H](CN[C@@H](c1ccc(F)cc1)C(F)(F)F)CC(F)(F)F ZINC000362154459 433551203 /nfs/dbraw/zinc/55/12/03/433551203.db2.gz HKZKSDNIDPHEPK-UWVGGRQHSA-N 0 0 319.220 3.332 10 30 DGEERN CCCN(C(=O)c1ccc(C#N)n1C)[C@H]1CCc2ccccc21 ZINC000448825005 433568189 /nfs/dbraw/zinc/56/81/89/433568189.db2.gz PRUMJZCFTLQTPJ-KRWDZBQOSA-N 0 0 307.397 3.436 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000448827673 433572007 /nfs/dbraw/zinc/57/20/07/433572007.db2.gz ZTXACCBZFHUIBJ-CYBMUJFWSA-N 0 0 312.335 3.090 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000448827674 433573629 /nfs/dbraw/zinc/57/36/29/433573629.db2.gz ZTXACCBZFHUIBJ-ZDUSSCGKSA-N 0 0 312.335 3.090 10 30 DGEERN CC(C)Oc1ccc(NC(=O)c2ccc(C#N)n2C)c(F)c1 ZINC000448836128 433576624 /nfs/dbraw/zinc/57/66/24/433576624.db2.gz OPFRKOMLKDSRTP-UHFFFAOYSA-N 0 0 301.321 3.075 10 30 DGEERN CCOCc1nc(C)c(C(=O)N[C@@](C)(C#N)CC(C)C)s1 ZINC000448846349 433577436 /nfs/dbraw/zinc/57/74/36/433577436.db2.gz SHXWHEXTYHJQDF-OAHLLOKOSA-N 0 0 309.435 3.046 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)OCCc1ccccc1 ZINC000448844881 433577791 /nfs/dbraw/zinc/57/77/91/433577791.db2.gz BZZVYWJZYRPHAG-YJBOKZPZSA-N 0 0 302.418 3.079 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@](C)(C#N)CC(C)C)cc1 ZINC000448849864 433578160 /nfs/dbraw/zinc/57/81/60/433578160.db2.gz YJZZBCWZMFUOKR-SFHVURJKSA-N 0 0 300.402 3.238 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000448844319 433578760 /nfs/dbraw/zinc/57/87/60/433578760.db2.gz AHIHJSWRQNUSTQ-GUYCJALGSA-N 0 0 306.381 3.175 10 30 DGEERN CCOCc1nc(C)c(C(=O)N[C@](C)(C#N)CC(C)C)s1 ZINC000448846348 433579292 /nfs/dbraw/zinc/57/92/92/433579292.db2.gz SHXWHEXTYHJQDF-HNNXBMFYSA-N 0 0 309.435 3.046 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000448852098 433583475 /nfs/dbraw/zinc/58/34/75/433583475.db2.gz NNRIQOYJRKUNLM-UHFFFAOYSA-N 0 0 323.396 3.148 10 30 DGEERN Cc1cc(C)c(CNc2cc(C#N)nc3ccccc32)c(=O)[nH]1 ZINC000301511195 433586818 /nfs/dbraw/zinc/58/68/18/433586818.db2.gz ILBKUJBTBBVEBG-UHFFFAOYSA-N 0 0 304.353 3.436 10 30 DGEERN Cc1ccc(C#N)c(N[C@@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000161798891 292841837 /nfs/dbraw/zinc/84/18/37/292841837.db2.gz JHKGHQYPEMYNSJ-CYBMUJFWSA-N 0 0 314.339 3.231 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000293176226 433642201 /nfs/dbraw/zinc/64/22/01/433642201.db2.gz GWPHFACQBJRMGW-MSOLQXFVSA-N 0 0 312.413 3.278 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCS[C@H](C)C1 ZINC000282411073 433597111 /nfs/dbraw/zinc/59/71/11/433597111.db2.gz XGKSJABWKHEVCZ-GFCCVEGCSA-N 0 0 318.446 3.283 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@H](c1ccccc1)C(F)(F)F ZINC000448904846 433608539 /nfs/dbraw/zinc/60/85/39/433608539.db2.gz VBGULISRWMRVLF-CQSZACIVSA-N 0 0 321.302 3.272 10 30 DGEERN Cc1cnn(-c2ccc(C(=O)Nc3ccc(C#N)c(F)c3)cc2)c1 ZINC000362299905 433627273 /nfs/dbraw/zinc/62/72/73/433627273.db2.gz IYXUBKIIKANJIV-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN C=C[C@@H](C)NC(=O)NCc1sc(-c2ccccc2)nc1C ZINC000362381364 433670930 /nfs/dbraw/zinc/67/09/30/433670930.db2.gz XKJVBPNWCJLCRP-LLVKDONJSA-N 0 0 301.415 3.492 10 30 DGEERN C=CCOc1ccc(CC(=O)NCc2cnc(CCC)o2)cc1 ZINC000456518049 433705041 /nfs/dbraw/zinc/70/50/41/433705041.db2.gz KZRRZOBMJKIGIS-UHFFFAOYSA-N 0 0 314.385 3.051 10 30 DGEERN N#Cc1cccc(Cl)c1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374573513 293418616 /nfs/dbraw/zinc/41/86/16/293418616.db2.gz ZRUIFZYCQQJMDR-XJKSGUPXSA-N 0 0 320.820 3.191 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362456683 433729539 /nfs/dbraw/zinc/72/95/39/433729539.db2.gz WSKGQAMAVLMBFE-HOTGVXAUSA-N 0 0 302.418 3.253 10 30 DGEERN C=CCN(C(=O)C[C@@H](C)CC)c1nc(C(=O)OCC)cs1 ZINC000362464869 433729662 /nfs/dbraw/zinc/72/96/62/433729662.db2.gz LWCDSOQCPLCGGQ-NSHDSACASA-N 0 0 310.419 3.275 10 30 DGEERN C#CCCCS(=O)(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000376392468 433729815 /nfs/dbraw/zinc/72/98/15/433729815.db2.gz UOZDRRACEKFNOC-UKRRQHHQSA-N 0 0 309.431 3.104 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[C@H](CC)O1 ZINC000362496595 433732363 /nfs/dbraw/zinc/73/23/63/433732363.db2.gz HGJUGIKQEGVJKL-HOTGVXAUSA-N 0 0 318.373 3.067 10 30 DGEERN CN(c1cccc(C#N)n1)C1CCN(c2ccc(F)cc2)CC1 ZINC000301806053 433734089 /nfs/dbraw/zinc/73/40/89/433734089.db2.gz ADMAXVIORYDSOF-UHFFFAOYSA-N 0 0 310.376 3.198 10 30 DGEERN COc1cccc([C@@H]2C[C@H](O)CN2c2cccc(F)c2C#N)c1 ZINC000283517326 433739977 /nfs/dbraw/zinc/73/99/77/433739977.db2.gz MVPQYGHHMWBORL-UGSOOPFHSA-N 0 0 312.344 3.018 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000362546299 433749533 /nfs/dbraw/zinc/74/95/33/433749533.db2.gz XDHFDKTVZNOHOQ-RVMXOQNASA-N 0 0 305.340 3.157 10 30 DGEERN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC1 ZINC000283649861 433757085 /nfs/dbraw/zinc/75/70/85/433757085.db2.gz PMYHSTYFBCYNIE-UHFFFAOYSA-N 0 0 313.361 3.030 10 30 DGEERN C=CCCCC(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000362591966 433775813 /nfs/dbraw/zinc/77/58/13/433775813.db2.gz LRNTWPGCHAMUTN-LLVKDONJSA-N 0 0 310.419 3.162 10 30 DGEERN CO[C@@H]1CN(c2c(C#N)cnc3c(C)cc(F)cc32)CC[C@H]1C ZINC000302568948 433824346 /nfs/dbraw/zinc/82/43/46/433824346.db2.gz PVUFOWJASQJXST-BDJLRTHQSA-N 0 0 313.376 3.415 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000283799043 433780385 /nfs/dbraw/zinc/78/03/85/433780385.db2.gz ARDDYXALDKSNDU-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1sc(C2CCCC2)nc1C ZINC000456784014 433824548 /nfs/dbraw/zinc/82/45/48/433824548.db2.gz WNHNWNXFDLDUFC-CYBMUJFWSA-N 0 0 308.447 3.166 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000283844617 433789296 /nfs/dbraw/zinc/78/92/96/433789296.db2.gz ARBZSFNFTBCIGM-HNNXBMFYSA-N 0 0 322.836 3.332 10 30 DGEERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000376629111 433790094 /nfs/dbraw/zinc/79/00/94/433790094.db2.gz VCCVIDMBRWNREJ-ZDUSSCGKSA-N 0 0 308.385 3.148 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C)n2[C@@H](C)CO ZINC000456730537 433797260 /nfs/dbraw/zinc/79/72/60/433797260.db2.gz UURSHFRFABJRIZ-STQMWFEESA-N 0 0 315.417 3.439 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)c2cc[nH]c2C2CCC2)cc1 ZINC000362642205 433804538 /nfs/dbraw/zinc/80/45/38/433804538.db2.gz IBCGDMSFISFKAG-UHFFFAOYSA-N 0 0 323.396 3.450 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000456771878 433816887 /nfs/dbraw/zinc/81/68/87/433816887.db2.gz WALDAWGBJVDAKQ-ROUUACIJSA-N 0 0 303.446 3.335 10 30 DGEERN C=CCN(C(=O)c1cnc(OCC2CC2)cn1)c1ccccc1 ZINC000284026573 433819954 /nfs/dbraw/zinc/81/99/54/433819954.db2.gz WGYTWSAKRHDPGJ-UHFFFAOYSA-N 0 0 309.369 3.098 10 30 DGEERN C=CCCCCCN(C)C(=O)c1cnc(OCC2CC2)cn1 ZINC000284036701 433822766 /nfs/dbraw/zinc/82/27/66/433822766.db2.gz RKRVXYXMYPRKMI-UHFFFAOYSA-N 0 0 303.406 3.084 10 30 DGEERN Cc1ccc(N2CCO[C@H](c3ccccc3Cl)C2)nc1C#N ZINC000302675876 433827010 /nfs/dbraw/zinc/82/70/10/433827010.db2.gz UKNIOULQNQADQN-INIZCTEOSA-N 0 0 313.788 3.493 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2ccc(C3CC3)cc2)nc1 ZINC000302721917 433838939 /nfs/dbraw/zinc/83/89/39/433838939.db2.gz MNSCTKVWJCQQLD-UHFFFAOYSA-N 0 0 307.397 3.487 10 30 DGEERN N#Cc1nc(NCCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000302726534 433839707 /nfs/dbraw/zinc/83/97/07/433839707.db2.gz OCVDFERNLGXIQX-UHFFFAOYSA-N 0 0 318.720 3.006 10 30 DGEERN C=CCOc1ccc(CNc2nnc(-c3ccoc3C)o2)cc1 ZINC000351994516 433841329 /nfs/dbraw/zinc/84/13/29/433841329.db2.gz KGHPDBZMUPQUSJ-UHFFFAOYSA-N 0 0 311.341 3.815 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000376960949 433841412 /nfs/dbraw/zinc/84/14/12/433841412.db2.gz NFCFPOVPDQNLOD-KXBFYZLASA-N 0 0 309.409 3.268 10 30 DGEERN CN(Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302744309 433849825 /nfs/dbraw/zinc/84/98/25/433849825.db2.gz SGRQPLHAZBKCCA-UHFFFAOYSA-N 0 0 308.750 3.213 10 30 DGEERN C=CC(C)(C)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000449906214 433865275 /nfs/dbraw/zinc/86/52/75/433865275.db2.gz XFIIIWSWZJQFRX-GJZGRUSLSA-N 0 0 316.445 3.447 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCCOc1ccc(F)cc1 ZINC000362809301 433869591 /nfs/dbraw/zinc/86/95/91/433869591.db2.gz PYAXTYRQLPZRJT-IAGOWNOFSA-N 0 0 321.392 3.082 10 30 DGEERN C=CCC(CC=C)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000284455827 433898032 /nfs/dbraw/zinc/89/80/32/433898032.db2.gz KYFGDHQAECSXPQ-UHFFFAOYSA-N 0 0 309.413 3.316 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1 ZINC000284696245 433903790 /nfs/dbraw/zinc/90/37/90/433903790.db2.gz OBRHGWRFQDDJFM-AWEZNQCLSA-N 0 0 313.401 3.481 10 30 DGEERN C=CCn1c2ccccc2nc1SC[C@H](O)COC(C)C ZINC000302958726 433906076 /nfs/dbraw/zinc/90/60/76/433906076.db2.gz GIJWHKLWDPNXRX-CYBMUJFWSA-N 0 0 306.431 3.100 10 30 DGEERN C=CCC(C)(C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456971405 433911584 /nfs/dbraw/zinc/91/15/84/433911584.db2.gz SZQONVADRHFMQK-UHFFFAOYSA-N 0 0 306.372 3.074 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000285382518 433932624 /nfs/dbraw/zinc/93/26/24/433932624.db2.gz LBGKNQLAISPEST-KBPBESRZSA-N 0 0 323.458 3.260 10 30 DGEERN C=CCC1(C(=O)NC[C@H](CO)c2ccccc2)CCCCC1 ZINC000450059326 433945503 /nfs/dbraw/zinc/94/55/03/433945503.db2.gz STAWPMFBKCDLBJ-QGZVFWFLSA-N 0 0 301.430 3.405 10 30 DGEERN C=CC[C@H](C)[C@H](C)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000285533679 433982734 /nfs/dbraw/zinc/98/27/34/433982734.db2.gz CTGHAONYFJEBOE-RYUDHWBXSA-N 0 0 304.365 3.492 10 30 DGEERN C=CC[C@@H](C)[C@H](C)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000285533665 433984718 /nfs/dbraw/zinc/98/47/18/433984718.db2.gz CTGHAONYFJEBOE-NEPJUHHUSA-N 0 0 304.365 3.492 10 30 DGEERN C=CCC(C)(C)CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000294142506 434010721 /nfs/dbraw/zinc/01/07/21/434010721.db2.gz HBBHAHVZZGWFQR-GJZGRUSLSA-N 0 0 315.413 3.280 10 30 DGEERN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C#N)ccn1 ZINC000357425092 434013406 /nfs/dbraw/zinc/01/34/06/434013406.db2.gz OIAAKTPSTDRQTI-UHFFFAOYSA-N 0 0 324.365 3.159 10 30 DGEERN C=C(CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000416234106 434065761 /nfs/dbraw/zinc/06/57/61/434065761.db2.gz LZGQLRXBSBJLML-UHFFFAOYSA-N 0 0 320.436 3.264 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000377991482 434054120 /nfs/dbraw/zinc/05/41/20/434054120.db2.gz UCHCMUUBXOLFRS-UHFFFAOYSA-N 0 0 318.420 3.320 10 30 DGEERN CCc1ccc(C2=CCN(C(=O)c3ccc(C#N)n3C)CC2)cc1 ZINC000450377752 434140477 /nfs/dbraw/zinc/14/04/77/434140477.db2.gz JTEDSBBNTYQQAY-UHFFFAOYSA-N 0 0 319.408 3.389 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(OC)ccc1OC ZINC000286077138 434156856 /nfs/dbraw/zinc/15/68/56/434156856.db2.gz ACEGECZWDDIYSX-MRXNPFEDSA-N 0 0 323.392 3.068 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000457505417 434210522 /nfs/dbraw/zinc/21/05/22/434210522.db2.gz NVMJQBDNAGMMDF-HZPDHXFCSA-N 0 0 322.836 3.417 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000346534643 434256671 /nfs/dbraw/zinc/25/66/71/434256671.db2.gz PIKQAYWBNWWDAO-INWMFGNUSA-N 0 0 319.449 3.105 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000364318397 434265459 /nfs/dbraw/zinc/26/54/59/434265459.db2.gz QTRLPWPVYDSUFP-GXTWGEPZSA-N 0 0 308.372 3.262 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000364375193 434269843 /nfs/dbraw/zinc/26/98/43/434269843.db2.gz OMDRIYKDARFWJJ-IAGOWNOFSA-N 0 0 316.420 3.434 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000437498348 434272166 /nfs/dbraw/zinc/27/21/66/434272166.db2.gz IBAAHCIXEQLGBZ-QRFRQXIXSA-N 0 0 313.441 3.378 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000450509424 434237242 /nfs/dbraw/zinc/23/72/42/434237242.db2.gz KKMOOLREUSKWPA-YDZSZYSISA-N 0 0 305.381 3.215 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@](C)(O)c1ccccc1 ZINC000286658725 434281333 /nfs/dbraw/zinc/28/13/33/434281333.db2.gz DYRFSQOIUPYYOZ-TZIWHRDSSA-N 0 0 321.420 3.035 10 30 DGEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)CC3=CCCCC3)C2)n1 ZINC000328609522 434288115 /nfs/dbraw/zinc/28/81/15/434288115.db2.gz DRFVUDPUFMPDNP-OAHLLOKOSA-N 0 0 316.405 3.155 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cn1 ZINC000328628588 434292379 /nfs/dbraw/zinc/29/23/79/434292379.db2.gz NXPQHJJTYVFGOF-YLFCFFPRSA-N 0 0 311.385 3.010 10 30 DGEERN C#CCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000365401697 434299351 /nfs/dbraw/zinc/29/93/51/434299351.db2.gz GLXJCVBYFARVMF-OAGGEKHMSA-N 0 0 319.445 3.291 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365604511 434303580 /nfs/dbraw/zinc/30/35/80/434303580.db2.gz WBEYWPTXEDYDFA-CTNGQTDRSA-N 0 0 319.404 3.104 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCCC1(C)C)CCC2 ZINC000328732868 434303985 /nfs/dbraw/zinc/30/39/85/434303985.db2.gz XSLYIINWDWXUGV-KBPBESRZSA-N 0 0 304.438 3.151 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCCC1(C)C)CCC2 ZINC000328732870 434304713 /nfs/dbraw/zinc/30/47/13/434304713.db2.gz XSLYIINWDWXUGV-UONOGXRCSA-N 0 0 304.438 3.151 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000437521228 434276987 /nfs/dbraw/zinc/27/69/87/434276987.db2.gz DYARDGDQPFSXDU-YOEHRIQHSA-N 0 0 317.433 3.168 10 30 DGEERN O=C(NCCc1cnc(C2CC2)nc1)N[C@H]1CC12CCCCC2 ZINC000329128585 434362392 /nfs/dbraw/zinc/36/23/92/434362392.db2.gz VMJWPLQIZSSRHJ-HNNXBMFYSA-N 0 0 314.433 3.123 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CCC)C(N)=O ZINC000287466292 434365502 /nfs/dbraw/zinc/36/55/02/434365502.db2.gz XYPVUVWPWNLRNV-HNNXBMFYSA-N 0 0 317.433 3.314 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1CCCCC1)C2 ZINC000329236889 434377920 /nfs/dbraw/zinc/37/79/20/434377920.db2.gz OQZAOCPVSZJVLE-AWEZNQCLSA-N 0 0 318.465 3.332 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000417382986 434378716 /nfs/dbraw/zinc/37/87/16/434378716.db2.gz OPDCNULDQNNLMW-HNNXBMFYSA-N 0 0 301.390 3.068 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC(F)F)CC1CCC1 ZINC000438059289 434389701 /nfs/dbraw/zinc/38/97/01/434389701.db2.gz ZEMAHXPZWXZXES-UKRRQHHQSA-N 0 0 316.392 3.044 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1CCCCCC1 ZINC000328978260 434336275 /nfs/dbraw/zinc/33/62/75/434336275.db2.gz WZARKKPJTOOKCL-GOEBONIOSA-N 0 0 305.422 3.425 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457769725 434338060 /nfs/dbraw/zinc/33/80/60/434338060.db2.gz FXLOIJARUGYHGQ-UHFFFAOYSA-N 0 0 310.397 3.306 10 30 DGEERN Cc1cc(C#N)cc(NCCc2ccc(Br)cc2)n1 ZINC000389088920 434341742 /nfs/dbraw/zinc/34/17/42/434341742.db2.gz MQJMHRKGSPIBOU-UHFFFAOYSA-N 0 0 316.202 3.679 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)c1ccncc1 ZINC000287387035 434348338 /nfs/dbraw/zinc/34/83/38/434348338.db2.gz NEMTYZGCLHHBRV-RTBURBONSA-N 0 0 321.424 3.467 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437881297 434357510 /nfs/dbraw/zinc/35/75/10/434357510.db2.gz BCUQTFAIODEWJM-FCZZECIWSA-N 0 0 317.429 3.285 10 30 DGEERN Cc1cc([C@H](C)NC(=O)N2CCc3cncnc3C2)c(C)s1 ZINC000329110604 434357873 /nfs/dbraw/zinc/35/78/73/434357873.db2.gz QKOAXFJBUXOGKP-NSHDSACASA-N 0 0 316.430 3.188 10 30 DGEERN COc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1O ZINC000438076142 434393642 /nfs/dbraw/zinc/39/36/42/434393642.db2.gz RWYVZVDKQICNOS-AWEZNQCLSA-N 0 0 310.353 3.427 10 30 DGEERN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000358573114 434397724 /nfs/dbraw/zinc/39/77/24/434397724.db2.gz QSBKSUWVGLVJGY-QLJPJBMISA-N 0 0 320.314 3.360 10 30 DGEERN C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576386 434398173 /nfs/dbraw/zinc/39/81/73/434398173.db2.gz UCYNLZQXJNWKPT-DIFFPNOSSA-N 0 0 302.324 3.221 10 30 DGEERN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358562620 434399275 /nfs/dbraw/zinc/39/92/75/434399275.db2.gz HPVKOQQBNUQGAL-GFCCVEGCSA-N 0 0 314.408 3.406 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000181569323 294797933 /nfs/dbraw/zinc/79/79/33/294797933.db2.gz RCSLRDARLLRPIX-QGZVFWFLSA-N 0 0 324.424 3.463 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000287618644 434411108 /nfs/dbraw/zinc/41/11/08/434411108.db2.gz YRVJMDIKZJIRIN-UHFFFAOYSA-N 0 0 320.186 3.059 10 30 DGEERN O=C(NCC1CCC1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329546009 434427148 /nfs/dbraw/zinc/42/71/48/434427148.db2.gz HCAQUPSPMVNCNM-XHSDSOJGSA-N 0 0 314.433 3.371 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1cccc(C)c1Br ZINC000287711327 434436568 /nfs/dbraw/zinc/43/65/68/434436568.db2.gz BUDYCSOCYZRMLH-UHFFFAOYSA-N 0 0 318.214 3.037 10 30 DGEERN Cn1cc(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c(C2CC2)n1 ZINC000329575108 434437881 /nfs/dbraw/zinc/43/78/81/434437881.db2.gz AYRJLJSEAPWQNU-TZMCWYRMSA-N 0 0 320.437 3.217 10 30 DGEERN C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)c2ccccc21 ZINC000329729772 434468689 /nfs/dbraw/zinc/46/86/89/434468689.db2.gz PIAVEUCTQBDUPO-WWGRRREGSA-N 0 0 324.428 3.409 10 30 DGEERN C=CCC1(NC(=O)NCc2cccc(OC)n2)CCCCC1 ZINC000458160010 434505304 /nfs/dbraw/zinc/50/53/04/434505304.db2.gz NURJTVAXMQPMTO-UHFFFAOYSA-N 0 0 303.406 3.168 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000451006657 434529977 /nfs/dbraw/zinc/52/99/77/434529977.db2.gz HWDQEBPRRFXIKU-ZACQAIPSSA-N 0 0 314.429 3.289 10 30 DGEERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000366915336 434533760 /nfs/dbraw/zinc/53/37/60/434533760.db2.gz SVCYQMLANFZDCX-INIZCTEOSA-N 0 0 309.373 3.051 10 30 DGEERN C=CCCCNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000367075149 434537935 /nfs/dbraw/zinc/53/79/35/434537935.db2.gz SJAKLAYHCYFFLD-UHFFFAOYSA-N 0 0 323.387 3.153 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000367380179 434548060 /nfs/dbraw/zinc/54/80/60/434548060.db2.gz QFZVKSSOIJJLGZ-LBPRGKRZSA-N 0 0 305.809 3.498 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367551144 434549984 /nfs/dbraw/zinc/54/99/84/434549984.db2.gz XLAZAVULCGVOAA-IAGOWNOFSA-N 0 0 302.418 3.372 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CCC1 ZINC000367501321 434550200 /nfs/dbraw/zinc/55/02/00/434550200.db2.gz WWSWRIBVPJQVKZ-CYBMUJFWSA-N 0 0 301.390 3.009 10 30 DGEERN C=CC[C@H]1N(C(=O)c2nn3c(c2C)OCCC3)CCCC1(C)C ZINC000451215890 434561629 /nfs/dbraw/zinc/56/16/29/434561629.db2.gz JXOMWJOZHUKEFC-CQSZACIVSA-N 0 0 317.433 3.181 10 30 DGEERN N#Cc1c(C#N)c(N[C@H]2CCC[C@H]2C#N)nc2c1CCCCCC2 ZINC000408329485 434562735 /nfs/dbraw/zinc/56/27/35/434562735.db2.gz JKACOGSEFKVIBN-GUYCJALGSA-N 0 0 319.412 3.588 10 30 DGEERN N#Cc1ccc2c(c1)N(C(=O)c1cc3c(cc1O)CCCC3)CC2 ZINC000408410224 434571002 /nfs/dbraw/zinc/57/10/02/434571002.db2.gz LUTZXIYOFGBKMX-UHFFFAOYSA-N 0 0 318.376 3.346 10 30 DGEERN CC[C@@H](C)n1ncc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1C ZINC000408400663 434572248 /nfs/dbraw/zinc/57/22/48/434572248.db2.gz VYLWQMLKPURSCQ-IUODEOHRSA-N 0 0 302.422 3.317 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000451677355 434573775 /nfs/dbraw/zinc/57/37/75/434573775.db2.gz BXFFMSOLVCIRSG-KURKYZTESA-N 0 0 319.408 3.305 10 30 DGEERN C=CCN(C(=O)C1CCCCC1)c1nc(C(=O)OCC)cs1 ZINC000409835134 434624011 /nfs/dbraw/zinc/62/40/11/434624011.db2.gz YUGCFKJXCBKIBI-UHFFFAOYSA-N 0 0 322.430 3.419 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@H]1CSC ZINC000424119871 434627370 /nfs/dbraw/zinc/62/73/70/434627370.db2.gz FLHCORQOWCDNDF-QWHCGFSZSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCO[C@](C)(CC)C1 ZINC000424123296 434629102 /nfs/dbraw/zinc/62/91/02/434629102.db2.gz JZZNGVCCEJPFOH-CZUORRHYSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC000424129303 434630312 /nfs/dbraw/zinc/63/03/12/434630312.db2.gz SLVIKLVHAGARND-STQMWFEESA-N 0 0 322.478 3.036 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000439654431 434635174 /nfs/dbraw/zinc/63/51/74/434635174.db2.gz YUADEQCTDDUILX-CPUCHLNUSA-N 0 0 300.402 3.323 10 30 DGEERN C=C(C)CN(CC)C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000369822796 434600685 /nfs/dbraw/zinc/60/06/85/434600685.db2.gz PZGKNHUAHLIJRC-UHFFFAOYSA-N 0 0 306.410 3.012 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000459542635 434601240 /nfs/dbraw/zinc/60/12/40/434601240.db2.gz AVDIRVWRAIOQAX-RCDICMHDSA-N 0 0 320.458 3.180 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000369793623 434601974 /nfs/dbraw/zinc/60/19/74/434601974.db2.gz CRNWXYDQTCDHJS-SFHVURJKSA-N 0 0 302.393 3.302 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)o2)cc1)[C@H]1C[C@H]1C ZINC000360447320 434607726 /nfs/dbraw/zinc/60/77/26/434607726.db2.gz RIEFWBLQOGEWFF-BZNIZROVSA-N 0 0 323.352 3.165 10 30 DGEERN COc1ccc2ccccc2c1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371327219 434669472 /nfs/dbraw/zinc/66/94/72/434669472.db2.gz MKWQTVXIJZSIED-KRWDZBQOSA-N 0 0 321.424 3.021 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)nn1 ZINC000424578520 434747268 /nfs/dbraw/zinc/74/72/68/434747268.db2.gz BHYCEEHPCXFMHX-VIFPVBQESA-N 0 0 310.810 3.060 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2cccc(OC)c2)CCOCC1 ZINC000424578590 434747373 /nfs/dbraw/zinc/74/73/73/434747373.db2.gz XQFWVWWPTCOFAD-CQSZACIVSA-N 0 0 303.402 3.245 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1 ZINC000424589180 434751297 /nfs/dbraw/zinc/75/12/97/434751297.db2.gz WTTWILNIQQRTHF-QLFBSQMISA-N 0 0 304.438 3.045 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000452892339 434751534 /nfs/dbraw/zinc/75/15/34/434751534.db2.gz OVLKJNZNGVGKNW-YJBOKZPZSA-N 0 0 317.429 3.432 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1nc(C2CC2)oc1C ZINC000411061116 434706077 /nfs/dbraw/zinc/70/60/77/434706077.db2.gz ZJLGSYGEOXYWQO-UHFFFAOYSA-N 0 0 309.325 3.187 10 30 DGEERN C=CC[C@H](C(=O)NCC1(CF)CCOCC1)c1ccccc1 ZINC000452807382 434724241 /nfs/dbraw/zinc/72/42/41/434724241.db2.gz OKXZZMVONRPOIW-INIZCTEOSA-N 0 0 305.393 3.229 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H](C)C1CC1 ZINC000460568696 434762310 /nfs/dbraw/zinc/76/23/10/434762310.db2.gz YFEYEZVPHDKLGM-AWEZNQCLSA-N 0 0 314.433 3.467 10 30 DGEERN C=C(C)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1C(C)(C)C ZINC000460570094 434762358 /nfs/dbraw/zinc/76/23/58/434762358.db2.gz DUJKRWPICHOUQZ-CYBMUJFWSA-N 0 0 306.454 3.155 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000452987615 434772058 /nfs/dbraw/zinc/77/20/58/434772058.db2.gz WMLMBCAKQARXSW-UHFFFAOYSA-N 0 0 300.358 3.165 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C)c(C(=O)OC)c2)CCOCC1 ZINC000424718667 434785581 /nfs/dbraw/zinc/78/55/81/434785581.db2.gz XPTMXLBANUNILK-UHFFFAOYSA-N 0 0 317.385 3.093 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H](CC(C)C)c2cccs2)nn1 ZINC000424721219 434788284 /nfs/dbraw/zinc/78/82/84/434788284.db2.gz LOYICEFVTUOIBX-CYBMUJFWSA-N 0 0 318.446 3.433 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H]2C[C@H](OCC)C23CCC3)CCOCC1 ZINC000424730542 434789308 /nfs/dbraw/zinc/78/93/08/434789308.db2.gz DWZPKMCOIODLCY-HOTGVXAUSA-N 0 0 321.461 3.165 10 30 DGEERN C=CCCn1cc(C(=O)Nc2cc(Cl)ccc2NCC)nn1 ZINC000424777318 434802069 /nfs/dbraw/zinc/80/20/69/434802069.db2.gz CYMHBAPYGSNFKI-UHFFFAOYSA-N 0 0 319.796 3.192 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CCOCC1 ZINC000424790916 434804003 /nfs/dbraw/zinc/80/40/03/434804003.db2.gz PXJBHGLKJSMBDJ-IAGOWNOFSA-N 0 0 323.477 3.459 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H](c3cccs3)C2)CCOCC1 ZINC000424734483 434791611 /nfs/dbraw/zinc/79/16/11/434791611.db2.gz URLSPXRIFPRDDT-CQSZACIVSA-N 0 0 321.442 3.021 10 30 DGEERN C=C(C)CCS[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000419471681 434795251 /nfs/dbraw/zinc/79/52/51/434795251.db2.gz FMZCQIRKMWXEAG-UONOGXRCSA-N 0 0 321.442 3.031 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)CCOCC1 ZINC000424754994 434795574 /nfs/dbraw/zinc/79/55/74/434795574.db2.gz BVVDWSZXYJPATA-ARFHVFGLSA-N 0 0 323.477 3.315 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361102162 434797145 /nfs/dbraw/zinc/79/71/45/434797145.db2.gz LDLPMBNKPZKILQ-IAGOWNOFSA-N 0 0 300.402 3.148 10 30 DGEERN C=CCC1(C(=O)NCc2ccc3[nH]c(C)cc3c2)CCOCC1 ZINC000424848662 434817206 /nfs/dbraw/zinc/81/72/06/434817206.db2.gz LPJTYEDAWWDFQM-UHFFFAOYSA-N 0 0 312.413 3.465 10 30 DGEERN CC1(C#N)CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000361195498 434826700 /nfs/dbraw/zinc/82/67/00/434826700.db2.gz IZIZIJIWUMCUHT-VXGBXAGGSA-N 0 0 324.302 3.061 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C)c1Br ZINC000424930651 434829656 /nfs/dbraw/zinc/82/96/56/434829656.db2.gz GVRQRESLLRPBDJ-AAEUAGOBSA-N 0 0 324.218 3.078 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000424935879 434830092 /nfs/dbraw/zinc/83/00/92/434830092.db2.gz ZWSLLFYYFNJRAQ-WFASDCNBSA-N 0 0 307.821 3.325 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000424930023 434830232 /nfs/dbraw/zinc/83/02/32/434830232.db2.gz DAHIPDLYWHXBDF-INWMFGNUSA-N 0 0 307.821 3.226 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2)o1 ZINC000424933438 434830259 /nfs/dbraw/zinc/83/02/59/434830259.db2.gz QOECUDDXPYEOTQ-ZFWWWQNUSA-N 0 0 313.353 3.393 10 30 DGEERN C=CC[C@@H](C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000372491319 434834043 /nfs/dbraw/zinc/83/40/43/434834043.db2.gz OEQOOEXGQYUGPG-QGZVFWFLSA-N 0 0 309.413 3.476 10 30 DGEERN C=CCN(CCC#N)C(=O)COc1cc(C(C)C)ccc1C ZINC000553101878 434878184 /nfs/dbraw/zinc/87/81/84/434878184.db2.gz HFGIXLJHSMUZFD-UHFFFAOYSA-N 0 0 300.402 3.426 10 30 DGEERN C=C(C)CN(CC)c1nnc(CCC(C)C)n1C[C@@H]1CCOC1 ZINC000461713781 434884406 /nfs/dbraw/zinc/88/44/06/434884406.db2.gz VJJUQMRFXAXNEF-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN CO[C@H](c1ccccc1Cl)[C@H](C)Nc1nc(C)cc(C#N)n1 ZINC000553517764 434893940 /nfs/dbraw/zinc/89/39/40/434893940.db2.gz ZKTUEKCQKJBADW-NHYWBVRUSA-N 0 0 316.792 3.498 10 30 DGEERN C=C[C@@H](CC(=O)NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000462368385 434909815 /nfs/dbraw/zinc/90/98/15/434909815.db2.gz GSKPQRNMEKKYBK-HNNXBMFYSA-N 0 0 323.440 3.275 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC[C@H]1C ZINC000573606279 434911004 /nfs/dbraw/zinc/91/10/04/434911004.db2.gz NJYXIKDXDNALNE-LLVKDONJSA-N 0 0 303.435 3.275 10 30 DGEERN C=CCCCCCNC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000573102547 434874974 /nfs/dbraw/zinc/87/49/74/434874974.db2.gz VLAUPMKDMUUXFF-UHFFFAOYSA-N 0 0 314.429 3.367 10 30 DGEERN C=CCN(CCOC)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000554942857 434954825 /nfs/dbraw/zinc/95/48/25/434954825.db2.gz LOWLXAUZCPLLNK-OAHLLOKOSA-N 0 0 317.429 3.290 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@H](CC)C1 ZINC000555255655 434966900 /nfs/dbraw/zinc/96/69/00/434966900.db2.gz JGRDIBNGDRCZQZ-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)COCCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000463575240 434966843 /nfs/dbraw/zinc/96/68/43/434966843.db2.gz LBHXDWWZSDWFKD-UHFFFAOYSA-N 0 0 315.335 3.347 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000554539284 434934361 /nfs/dbraw/zinc/93/43/61/434934361.db2.gz NIGNFEIHIDULPT-SFHVURJKSA-N 0 0 300.402 3.002 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000464987277 435013608 /nfs/dbraw/zinc/01/36/08/435013608.db2.gz TZIBOIYLEAYTEC-ZQIUZPCESA-N 0 0 300.402 3.076 10 30 DGEERN COC(=O)c1c(C#N)c(OC(F)(F)F)ccc1C(F)(F)F ZINC000575345192 435029975 /nfs/dbraw/zinc/02/99/75/435029975.db2.gz FWAIRAAPJCKPCI-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN CCOC(=O)Cc1cc(Br)c(C(F)F)cc1C#N ZINC000575341613 435030141 /nfs/dbraw/zinc/03/01/41/435030141.db2.gz MPVPONOKVLNHOJ-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN COC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1C(F)F ZINC000575343697 435030350 /nfs/dbraw/zinc/03/03/50/435030350.db2.gz BSUJBFWMABCBAF-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1cc(C(F)F)cc(Br)c1C#N ZINC000575341633 435030395 /nfs/dbraw/zinc/03/03/95/435030395.db2.gz XATOYXYSDDGVKW-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN COC(=O)Cc1c(C#N)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575380244 435032244 /nfs/dbraw/zinc/03/22/44/435032244.db2.gz QHGZBGVPHIPWDG-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN CCOC(=O)Cc1c(OC(F)F)ccc(C(F)F)c1C#N ZINC000575385268 435034513 /nfs/dbraw/zinc/03/45/13/435034513.db2.gz HLUTUTAPFMZILX-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1Br ZINC000575382743 435032836 /nfs/dbraw/zinc/03/28/36/435032836.db2.gz JZVQZRZWZWAPAX-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000574648934 434994320 /nfs/dbraw/zinc/99/43/20/434994320.db2.gz BMRUAKWGIYEKOF-IRXDYDNUSA-N 0 0 323.481 3.164 10 30 DGEERN COC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C#N ZINC000575380863 435033039 /nfs/dbraw/zinc/03/30/39/435033039.db2.gz SKHSEVXOLOPBIU-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN COC(=O)c1cc(Br)c(C#N)c(OC(F)(F)F)c1 ZINC000575383567 435033087 /nfs/dbraw/zinc/03/30/87/435033087.db2.gz OLGVIWMYLCALEO-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(CC)c(S(C)(=O)=O)c1 ZINC000574820769 435003930 /nfs/dbraw/zinc/00/39/30/435003930.db2.gz XZGUHXSCYOQKKC-UHFFFAOYSA-N 0 0 323.458 3.129 10 30 DGEERN N#CCCN(C(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000575045610 435004691 /nfs/dbraw/zinc/00/46/91/435004691.db2.gz BFNONLODQVTDRY-UHFFFAOYSA-N 0 0 307.328 3.187 10 30 DGEERN C=CCCCN(C)c1nnc(CCC(C)C)n1C[C@H]1CCCO1 ZINC000575129984 435006176 /nfs/dbraw/zinc/00/61/76/435006176.db2.gz GKASECCJQUENGQ-MRXNPFEDSA-N 0 0 320.481 3.448 10 30 DGEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1Br ZINC000575383580 435033267 /nfs/dbraw/zinc/03/32/67/435033267.db2.gz ATBKQSJRAPVZIU-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN Cc1ccc2c(CCNC(=O)Cc3cccc(C#N)c3)c[nH]c2c1 ZINC000527136897 435009409 /nfs/dbraw/zinc/00/94/09/435009409.db2.gz JPKPHUBSVHNPIC-UHFFFAOYSA-N 0 0 317.392 3.249 10 30 DGEERN CSc1ccccc1CN(C)C(=O)Cc1cccc(C#N)c1 ZINC000527150675 435009712 /nfs/dbraw/zinc/00/97/12/435009712.db2.gz QDVCPBOXYJTJMW-UHFFFAOYSA-N 0 0 310.422 3.481 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000527485253 435011895 /nfs/dbraw/zinc/01/18/95/435011895.db2.gz LAEVDWQFLAFLEL-YOEHRIQHSA-N 0 0 306.406 3.011 10 30 DGEERN Cc1cc(C#N)nc(Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 ZINC000557582598 435058998 /nfs/dbraw/zinc/05/89/98/435058998.db2.gz GSMMVOQUJNCLLL-UHFFFAOYSA-N 0 0 324.775 3.299 10 30 DGEERN CC[C@H](CNc1nc(C)cc(C#N)n1)Oc1ccccc1Cl ZINC000557624514 435060297 /nfs/dbraw/zinc/06/02/97/435060297.db2.gz QCWLCPPQWICHIU-CYBMUJFWSA-N 0 0 316.792 3.580 10 30 DGEERN C=CCN(CCOC)c1ncnc2ccc(Br)cc21 ZINC000577998862 435062362 /nfs/dbraw/zinc/06/23/62/435062362.db2.gz NQMFMZYCVQNVPL-UHFFFAOYSA-N 0 0 322.206 3.031 10 30 DGEERN COc1ccc2c(c1)CCCN(C(=O)Cc1cccc(C#N)c1)C2 ZINC000531151859 435074720 /nfs/dbraw/zinc/07/47/20/435074720.db2.gz CLPJZYDDMAOUEK-UHFFFAOYSA-N 0 0 320.392 3.084 10 30 DGEERN CCOC(=O)c1c(SC(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575393451 435035011 /nfs/dbraw/zinc/03/50/11/435035011.db2.gz ABNFSROOUGLRLL-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1c(C=O)ccc(SC(F)(F)F)c1C#N ZINC000575391020 435035228 /nfs/dbraw/zinc/03/52/28/435035228.db2.gz DAGHCRVMMMRMOW-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCc1ccc(SC(F)(F)F)c(C#N)c1CC(=O)OC ZINC000575389841 435035363 /nfs/dbraw/zinc/03/53/63/435035363.db2.gz RICJEBQMPJWLNB-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)c1cc(C#N)cc(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575394728 435035426 /nfs/dbraw/zinc/03/54/26/435035426.db2.gz UGMWLCPHAVYKEE-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(F)cc1SC(F)(F)F ZINC000575390593 435035448 /nfs/dbraw/zinc/03/54/48/435035448.db2.gz CEZQKWCECGUBOH-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(OC)c1SC(F)(F)F ZINC000575394644 435035654 /nfs/dbraw/zinc/03/56/54/435035654.db2.gz QFLVDGPVLRSTOO-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(OC)c1SC(F)(F)F ZINC000575394572 435035875 /nfs/dbraw/zinc/03/58/75/435035875.db2.gz KDDPRBILQUSYHA-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529453384 435036405 /nfs/dbraw/zinc/03/64/05/435036405.db2.gz BZVLYCRJPXMRQZ-VQHPVUNQSA-N 0 0 303.377 3.169 10 30 DGEERN CCc1cc(C#N)c(I)c(OC(F)F)c1 ZINC000575655335 435038633 /nfs/dbraw/zinc/03/86/33/435038633.db2.gz LWQOKGKNQPAREX-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(OC(F)F)cc(CC#N)c1I ZINC000575663626 435039392 /nfs/dbraw/zinc/03/93/92/435039392.db2.gz DXGRJEOOIOJFGQ-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(I)cc(OC(F)F)c1CC#N ZINC000575663585 435039612 /nfs/dbraw/zinc/03/96/12/435039612.db2.gz BWXLFOLQWRDMGJ-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1ccc(CC#N)c(I)c1OC(F)F ZINC000575663721 435040678 /nfs/dbraw/zinc/04/06/78/435040678.db2.gz JZGMOCBYNKMNMN-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN N#Cc1cc(I)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575671143 435041530 /nfs/dbraw/zinc/04/15/30/435041530.db2.gz NPHRAEUDAHPHEX-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#Cc1cc([N+](=O)[O-])cc(C(F)F)c1I ZINC000575671632 435041762 /nfs/dbraw/zinc/04/17/62/435041762.db2.gz SHJSQYHHCJCSLY-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN CCOc1cc(I)c(C#N)cc1C(F)F ZINC000575668436 435041880 /nfs/dbraw/zinc/04/18/80/435041880.db2.gz XZBDIKTYWASRJZ-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN CCOc1c(I)cc(CC)cc1C#N ZINC000575670310 435042247 /nfs/dbraw/zinc/04/22/47/435042247.db2.gz JFOMTAVKJRRDSE-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN CCOc1cc(C#N)c(I)c(C(F)F)c1 ZINC000575668376 435042387 /nfs/dbraw/zinc/04/23/87/435042387.db2.gz WDGBJHKYQWNKHE-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#CCc1c(Br)ccc([N+](=O)[O-])c1OC(F)F ZINC000575684187 435043866 /nfs/dbraw/zinc/04/38/66/435043866.db2.gz FGOJGTMWVXQYKM-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN C=CCCCNC(=O)Nc1nccc(N(CC)C2CCCC2)n1 ZINC000493006705 435090049 /nfs/dbraw/zinc/09/00/49/435090049.db2.gz FCGBPSYIDSEVJN-UHFFFAOYSA-N 0 0 317.437 3.333 10 30 DGEERN CCOc1cc(CC)cc(CC#N)c1I ZINC000575695319 435045506 /nfs/dbraw/zinc/04/55/06/435045506.db2.gz JLEHHZGLZQESOK-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN Cc1c(Br)ccc(C#N)c1I ZINC000575693444 435045809 /nfs/dbraw/zinc/04/58/09/435045809.db2.gz VJDLCVBIIJLBJE-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CO[C@H]1CC[C@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000530521111 435046479 /nfs/dbraw/zinc/04/64/79/435046479.db2.gz QUQZOKPNKPTCAT-PMACEKPBSA-N 0 0 319.404 3.384 10 30 DGEERN COc1c(CNC(=O)Cc2cccc(C#N)c2)oc2ccccc21 ZINC000530556961 435046549 /nfs/dbraw/zinc/04/65/49/435046549.db2.gz ZQRDECMRVCHFRF-UHFFFAOYSA-N 0 0 320.348 3.172 10 30 DGEERN Cc1ccccc1[C@H]1CCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000530676502 435048130 /nfs/dbraw/zinc/04/81/30/435048130.db2.gz FITUFWXUVRJPFR-SFHVURJKSA-N 0 0 304.393 3.425 10 30 DGEERN CSc1c(C)cc(CC#N)cc1I ZINC000575708505 435049430 /nfs/dbraw/zinc/04/94/30/435049430.db2.gz HXJQWFCVBLMHNZ-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN COc1cc(CC#N)c(I)cc1SC ZINC000575708025 435049434 /nfs/dbraw/zinc/04/94/34/435049434.db2.gz FZIVMXNIXNIXRL-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)c(F)cc1OC(F)(F)F ZINC000575711264 435050598 /nfs/dbraw/zinc/05/05/98/435050598.db2.gz UZNFZRJBIVWUAV-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C=CCC1(CNC(=O)N(C)Cc2cnn(C)c2C)CCCC1 ZINC000575963548 435052401 /nfs/dbraw/zinc/05/24/01/435052401.db2.gz FQZJFUNAGUURRJ-UHFFFAOYSA-N 0 0 304.438 3.006 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@H](C(C)C)C1 ZINC000558964408 435117424 /nfs/dbraw/zinc/11/74/24/435117424.db2.gz HPKCLGBGWQWULH-INIZCTEOSA-N 0 0 320.481 3.304 10 30 DGEERN N#CCC[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000532691516 435185016 /nfs/dbraw/zinc/18/50/16/435185016.db2.gz LWBNSKHDTKEEIT-SFHVURJKSA-N 0 0 303.365 3.262 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC000475388851 435194520 /nfs/dbraw/zinc/19/45/20/435194520.db2.gz HCICXZWYUGQRMB-CQSZACIVSA-N 0 0 313.319 3.266 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NCCC1(COC)CC1 ZINC000580068438 435201798 /nfs/dbraw/zinc/20/17/98/435201798.db2.gz HVYOYGFKVSXEFQ-UHFFFAOYSA-N 0 0 302.418 3.201 10 30 DGEERN C=CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000474596218 435152076 /nfs/dbraw/zinc/15/20/76/435152076.db2.gz RPADCHVKYLPLLP-IAGOWNOFSA-N 0 0 323.392 3.303 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc3[nH]ccc3c2)CCOCC1 ZINC000582356123 435239210 /nfs/dbraw/zinc/23/92/10/435239210.db2.gz WVNYJGWSWWKDER-UHFFFAOYSA-N 0 0 312.413 3.200 10 30 DGEERN COc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1Cl ZINC000583906230 435253727 /nfs/dbraw/zinc/25/37/27/435253727.db2.gz PTUIFHVZYUKHQZ-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN C=CCCCCCNC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000563353858 435265441 /nfs/dbraw/zinc/26/54/41/435265441.db2.gz AKQYNLDGROONDX-KRWDZBQOSA-N 0 0 317.429 3.259 10 30 DGEERN C=CCCC[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000565720066 435280932 /nfs/dbraw/zinc/28/09/32/435280932.db2.gz DJCVOFUYNUXYNE-UHFFFAOYSA-N 0 0 301.390 3.152 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000565935017 435282662 /nfs/dbraw/zinc/28/26/62/435282662.db2.gz NXTVMEXLEUBSIG-RVMXOQNASA-N 0 0 320.355 3.140 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000566427808 435286289 /nfs/dbraw/zinc/28/62/89/435286289.db2.gz OFHNWWZYSAJTJQ-HNNXBMFYSA-N 0 0 315.417 3.158 10 30 DGEERN Cc1cc(C#N)cc(NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000587553516 435294237 /nfs/dbraw/zinc/29/42/37/435294237.db2.gz PIUVXTAQYHOYAM-UHFFFAOYSA-N 0 0 310.788 4.051 10 30 DGEERN C=C(C)CN(CC)C(=O)Cc1ccc(Br)cc1O ZINC000477203527 435262786 /nfs/dbraw/zinc/26/27/86/435262786.db2.gz IENKKAJVYDYQQF-UHFFFAOYSA-N 0 0 312.207 3.122 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000479267217 435325818 /nfs/dbraw/zinc/32/58/18/435325818.db2.gz RGPKFQPQLNPQFH-HNNXBMFYSA-N 0 0 319.420 3.324 10 30 DGEERN C=CCCn1cc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)nn1 ZINC000567664366 435339230 /nfs/dbraw/zinc/33/92/30/435339230.db2.gz PBFHXTGPBMJPPK-UONOGXRCSA-N 0 0 307.357 3.175 10 30 DGEERN COc1cccc2c1N(C(=O)c1cccc(C#N)c1C)CCC2 ZINC000510517433 435312047 /nfs/dbraw/zinc/31/20/47/435312047.db2.gz ZEVOFDRSMKVRKA-UHFFFAOYSA-N 0 0 306.365 3.468 10 30 DGEERN CC(C)=CCCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000480958923 435402694 /nfs/dbraw/zinc/40/26/94/435402694.db2.gz KFDRUEDRAMMOMM-KRWDZBQOSA-N 0 0 300.402 3.434 10 30 DGEERN C=CCCCCCN1C(=O)[C@@H](Cc2ccccc2)N(C)C1=O ZINC000568169467 435397311 /nfs/dbraw/zinc/39/73/11/435397311.db2.gz KUMOWDKKJWIENT-MRXNPFEDSA-N 0 0 300.402 3.238 10 30 DGEERN CC(C)(C#N)NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000537611442 435454159 /nfs/dbraw/zinc/45/41/59/435454159.db2.gz FNNQYFFROIGYPT-UHFFFAOYSA-N 0 0 314.819 3.135 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)cs1 ZINC000537608043 435454585 /nfs/dbraw/zinc/45/45/85/435454585.db2.gz OJRAHTXZQXNXDP-UHFFFAOYSA-N 0 0 322.393 3.248 10 30 DGEERN C[C@H](Cc1ccsc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000515201635 435469648 /nfs/dbraw/zinc/46/96/48/435469648.db2.gz CKKMCESJIKLHTE-IYXRBSQSSA-N 0 0 305.447 3.308 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H](C)CCC ZINC000568800845 435472176 /nfs/dbraw/zinc/47/21/76/435472176.db2.gz IRGZOJGRLDVMJF-AWEZNQCLSA-N 0 0 302.422 3.467 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCS[C@H](C)[C@H]1C ZINC000568816375 435473720 /nfs/dbraw/zinc/47/37/20/435473720.db2.gz JBDLLRRNHLYKRN-ZIAGYGMSSA-N 0 0 308.495 3.383 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1COc2ccc(OC)cc2C1 ZINC000568881953 435479319 /nfs/dbraw/zinc/47/93/19/435479319.db2.gz ZPHKVQXYPKADEC-HNNXBMFYSA-N 0 0 303.402 3.109 10 30 DGEERN CC#CCCNC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000482771496 435481833 /nfs/dbraw/zinc/48/18/33/435481833.db2.gz POWPZHOTPQNUFH-LLVKDONJSA-N 0 0 314.307 3.359 10 30 DGEERN C=CCCC[C@@H](C)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000538150960 435486006 /nfs/dbraw/zinc/48/60/06/435486006.db2.gz TYBIAJYDMUVEPR-MRXNPFEDSA-N 0 0 310.445 3.429 10 30 DGEERN CC#CCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000483213121 435500795 /nfs/dbraw/zinc/50/07/95/435500795.db2.gz LRWKLZINCQSQGK-UHFFFAOYSA-N 0 0 317.392 3.438 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000539321818 435547050 /nfs/dbraw/zinc/54/70/50/435547050.db2.gz PAGHEYLKYDTPMY-HNNXBMFYSA-N 0 0 317.429 3.313 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000485069865 435559584 /nfs/dbraw/zinc/55/95/84/435559584.db2.gz ZMUHDRGQVLFNCK-GOSISDBHSA-N 0 0 319.376 3.099 10 30 DGEERN Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nc(C)cc(C#N)n1)CC3 ZINC000569797289 435561230 /nfs/dbraw/zinc/56/12/30/435561230.db2.gz HPJZODLHTRBQHU-CYBMUJFWSA-N 0 0 317.396 3.416 10 30 DGEERN C=CCN(C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C)C1CC1 ZINC000540126809 435588325 /nfs/dbraw/zinc/58/83/25/435588325.db2.gz FQQCIPBKYJGRGK-XNJGSVPQSA-N 0 0 300.402 3.300 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000486143617 435589948 /nfs/dbraw/zinc/58/99/48/435589948.db2.gz MLQXCQPJQBXKGS-HXUWFJFHSA-N 0 0 323.436 3.237 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(Cl)cc1OCC ZINC000486101680 435590530 /nfs/dbraw/zinc/59/05/30/435590530.db2.gz OKFIWXWNCQHGMT-GDBMZVCRSA-N 0 0 323.820 3.336 10 30 DGEERN COC(=O)c1ccc(-c2nc(Cn3cc(C)c(C#N)c3)co2)cc1 ZINC000541089818 435637204 /nfs/dbraw/zinc/63/72/04/435637204.db2.gz NHWARDRJKFIREI-UHFFFAOYSA-N 0 0 321.336 3.158 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCSc1ccc(F)cc1 ZINC000486320382 435595686 /nfs/dbraw/zinc/59/56/86/435595686.db2.gz LPGXLNQTJLTLQZ-HZPDHXFCSA-N 0 0 323.433 3.405 10 30 DGEERN N#Cc1cnccc1N1CCc2cc(Br)ccc21 ZINC000547835155 435650165 /nfs/dbraw/zinc/65/01/65/435650165.db2.gz CJQKXPHDZXJTOK-UHFFFAOYSA-N 0 0 300.159 3.410 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000518965492 435661876 /nfs/dbraw/zinc/66/18/76/435661876.db2.gz OUSXGBDOSSKFTH-YOEHRIQHSA-N 0 0 324.380 3.195 10 30 DGEERN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(F)c2C#N)C1 ZINC000188262442 300229937 /nfs/dbraw/zinc/22/99/37/300229937.db2.gz NCTZFMNSAJSHHN-ZDUSSCGKSA-N 0 0 323.371 3.430 10 30 DGEERN C[C@H]1CSc2ccccc2N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193716418 300395006 /nfs/dbraw/zinc/39/50/06/300395006.db2.gz SYOWGMUSDOLFIU-GFCCVEGCSA-N 0 0 309.394 3.342 10 30 DGEERN C=CCN(CCc1ccco1)Cc1noc(Cc2ccccc2)n1 ZINC000491329019 435731559 /nfs/dbraw/zinc/73/15/59/435731559.db2.gz KTFLINRKNWFIGO-UHFFFAOYSA-N 0 0 323.396 3.484 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)c1cccc(OC)c1 ZINC000519902850 435717194 /nfs/dbraw/zinc/71/71/94/435717194.db2.gz TZUAETGJFQRUON-LLVKDONJSA-N 0 0 301.308 3.376 10 30 DGEERN Cc1ccnc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)c1C#N ZINC000275651173 302271864 /nfs/dbraw/zinc/27/18/64/302271864.db2.gz OGYYQFLPBKIMRG-KRWDZBQOSA-N 0 0 321.428 3.216 10 30 DGEERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(C#N)cc1C ZINC000134208339 302523565 /nfs/dbraw/zinc/52/35/65/302523565.db2.gz RKDBBHFQRBPRKH-MRXNPFEDSA-N 0 0 308.385 3.184 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000172214321 303211708 /nfs/dbraw/zinc/21/17/08/303211708.db2.gz VCHHZBUCAQXFCV-NSHDSACASA-N 0 0 303.412 3.444 10 30 DGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329673354 303508718 /nfs/dbraw/zinc/50/87/18/303508718.db2.gz STXXAJGBGZWLMX-UKRRQHHQSA-N 0 0 317.433 3.207 10 30 DGEERN CC(C)N(CCc1nccs1)C(=O)c1sccc1C#N ZINC000134062097 312682480 /nfs/dbraw/zinc/68/24/80/312682480.db2.gz OCVWOVYGHHWVSL-UHFFFAOYSA-N 0 0 305.428 3.170 10 30 DGEERN Cc1cccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC000171150363 312712129 /nfs/dbraw/zinc/71/21/29/312712129.db2.gz QSTQJUDILZBPEU-UHFFFAOYSA-N 0 0 311.389 3.140 10 30 DGEERN CCn1c2ccc(F)cc2nc1NC(=O)Cc1cccc(C#N)c1 ZINC000542227395 314063317 /nfs/dbraw/zinc/06/33/17/314063317.db2.gz OCRNKWWUZFWIFE-UHFFFAOYSA-N 0 0 322.343 3.248 10 30 DGEERN Cc1cccc([C@H]2CCN(C(=O)Cc3cccc(C#N)c3)C2)c1 ZINC000542305542 314068386 /nfs/dbraw/zinc/06/83/86/314068386.db2.gz FJWIUBRVSLHFJP-IBGZPJMESA-N 0 0 304.393 3.425 10 30 DGEERN COC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000542521317 314082029 /nfs/dbraw/zinc/08/20/29/314082029.db2.gz CWVYDLXUPWYXJB-MRXNPFEDSA-N 0 0 314.772 3.329 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3ccc4nc[nH]c4c3)no2)c1 ZINC000545753690 314265979 /nfs/dbraw/zinc/26/59/79/314265979.db2.gz VAUJQFBOHNNDKS-UHFFFAOYSA-N 0 0 301.309 3.075 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)N[C@H](C)c1nc(C)cs1 ZINC000546002647 314283536 /nfs/dbraw/zinc/28/35/36/314283536.db2.gz NTIISFUFTDCTKX-SNVBAGLBSA-N 0 0 316.386 3.215 10 30 DGEERN COc1ccc(NC(=O)c2sccc2C#N)c2ncccc12 ZINC000546021696 314286066 /nfs/dbraw/zinc/28/60/66/314286066.db2.gz VDOILCBTAPWYCD-UHFFFAOYSA-N 0 0 309.350 3.429 10 30 DGEERN N#Cc1cnccc1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000548491078 314452835 /nfs/dbraw/zinc/45/28/35/314452835.db2.gz APJTXSVADMZXRF-UHFFFAOYSA-N 0 0 301.752 3.311 10 30 DGEERN Cc1cc(C#N)nc(N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1 ZINC000553164545 314634301 /nfs/dbraw/zinc/63/43/01/314634301.db2.gz VKUMLXWRQWHFFK-DLBZAZTESA-N 0 0 322.412 3.453 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000562470455 315022268 /nfs/dbraw/zinc/02/22/68/315022268.db2.gz AOQGYCCWBYLIIM-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN N#Cc1cccc(CCNC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000565150898 315234900 /nfs/dbraw/zinc/23/49/00/315234900.db2.gz SXIICKCEKCYFNW-UHFFFAOYSA-N 0 0 316.763 3.252 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000179934604 323217710 /nfs/dbraw/zinc/21/77/10/323217710.db2.gz CYEAJJCHOKCVPP-HNNXBMFYSA-N 0 0 323.396 3.274 10 30 DGEERN CSc1c(F)cc(NC(=O)c2cc(C#N)cn2C)cc1F ZINC000181660597 323263049 /nfs/dbraw/zinc/26/30/49/323263049.db2.gz KJJHYXYGENMPGK-UHFFFAOYSA-N 0 0 307.325 3.149 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCNc1cccc(F)c1 ZINC000182122424 323284495 /nfs/dbraw/zinc/28/44/95/323284495.db2.gz YWUCPTGEXPHTSJ-UHFFFAOYSA-N 0 0 311.360 3.238 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1(Cc2ccccc2)CC1 ZINC000186277758 323403586 /nfs/dbraw/zinc/40/35/86/323403586.db2.gz JAVKSYVEZXRYLW-OAHLLOKOSA-N 0 0 320.392 3.217 10 30 DGEERN CS[C@H]1CCC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000187089687 323411038 /nfs/dbraw/zinc/41/10/38/323411038.db2.gz XJHGYZGAABSKBW-CVEARBPZSA-N 0 0 314.454 3.380 10 30 DGEERN CCOc1ccc(Nc2ccncc2C#N)cc1Br ZINC000580358802 323988682 /nfs/dbraw/zinc/98/86/82/323988682.db2.gz KNEQFUQFBGRTRX-UHFFFAOYSA-N 0 0 318.174 3.280 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000574968815 332898662 /nfs/dbraw/zinc/89/86/62/332898662.db2.gz MJTTYYOMAWAUHR-SJORKVTESA-N 0 0 319.412 3.382 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000583942963 331477338 /nfs/dbraw/zinc/47/73/38/331477338.db2.gz STUOAEKGVISXSF-UHFFFAOYSA-N 0 0 315.417 3.447 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1sc(C2CCCCC2)nc1C ZINC000518475098 332061710 /nfs/dbraw/zinc/06/17/10/332061710.db2.gz ZIUWWCFLYHDZSR-CYBMUJFWSA-N 0 0 308.447 3.166 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000569585147 332145960 /nfs/dbraw/zinc/14/59/60/332145960.db2.gz AJDDQWFASDFVDY-CYBMUJFWSA-N 0 0 304.438 3.125 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181458347 332195383 /nfs/dbraw/zinc/19/53/83/332195383.db2.gz IHJCRCXWEDDSAP-RHSMWYFYSA-N 0 0 302.418 3.120 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)COC/C=C/c1ccccc1 ZINC000533875590 332229046 /nfs/dbraw/zinc/22/90/46/332229046.db2.gz HEIDHZMFWTYUIX-RUJXFNLJSA-N 0 0 300.402 3.161 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(C2CCC2)CCC1 ZINC000560414001 332338065 /nfs/dbraw/zinc/33/80/65/332338065.db2.gz GCUPHSJALUXNGY-ZBFHGGJFSA-N 0 0 306.450 3.237 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000425588770 335107873 /nfs/dbraw/zinc/10/78/73/335107873.db2.gz SXGSVIVVGRVKTK-UAGQMJEPSA-N 0 0 318.392 3.263 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(CC)CCC ZINC000562028247 332534691 /nfs/dbraw/zinc/53/46/91/332534691.db2.gz YKCAIKKNYBBWEW-INIZCTEOSA-N 0 0 312.417 3.377 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248370446 332584606 /nfs/dbraw/zinc/58/46/06/332584606.db2.gz XNLNKBNIRQVDCY-ZSHCYNCHSA-N 0 0 300.358 3.156 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](OC(F)F)C1 ZINC000569657513 332655038 /nfs/dbraw/zinc/65/50/38/332655038.db2.gz RMGLXUZXJPJWPK-RYUDHWBXSA-N 0 0 314.380 3.186 10 30 DGEERN C=CCCC[C@H](C)Sc1nnc2c(=O)[nH]c3ccccc3n12 ZINC000569870184 332687812 /nfs/dbraw/zinc/68/78/12/332687812.db2.gz OODZPQHGXBUADS-NSHDSACASA-N 0 0 314.414 3.408 10 30 DGEERN C[C@H](C#N)CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000187698930 332982161 /nfs/dbraw/zinc/98/21/61/332982161.db2.gz VOCORSWQOAKKKT-RDDDGLTNSA-N 0 0 321.249 3.027 10 30 DGEERN N#CC1(NC(=O)CCc2cccc(Br)c2)CCCC1 ZINC000098078874 335118900 /nfs/dbraw/zinc/11/89/00/335118900.db2.gz MRBZIVZDGCKTBY-UHFFFAOYSA-N 0 0 321.218 3.334 10 30 DGEERN CC[C@H](CC#N)OC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000187891638 333152748 /nfs/dbraw/zinc/15/27/48/333152748.db2.gz JBCZUKUZVBGRCS-MELADBBJSA-N 0 0 324.421 3.305 10 30 DGEERN CCC(CC)CN(CCC#N)Cc1cc(-c2cnn(C)c2)no1 ZINC000185017203 333203551 /nfs/dbraw/zinc/20/35/51/333203551.db2.gz AQGWIEPDLQEKIR-UHFFFAOYSA-N 0 0 315.421 3.227 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1ccc2c(c1O)CCCC2 ZINC000185710066 333212594 /nfs/dbraw/zinc/21/25/94/333212594.db2.gz SWZUCUPYZPNOJC-UHFFFAOYSA-N 0 0 324.380 3.420 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc2c(s1)CCCC2 ZINC000582118836 333293311 /nfs/dbraw/zinc/29/33/11/333293311.db2.gz SATHOUIVYOTLTK-ZFWWWQNUSA-N 0 0 320.458 3.017 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)nc1 ZINC000062896712 333340233 /nfs/dbraw/zinc/34/02/33/333340233.db2.gz DGVTZICCPNWMDW-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN CCCOc1cc(OC)ccc1C(=O)NC1(C#N)CCCC1 ZINC000188364857 333364461 /nfs/dbraw/zinc/36/44/61/333364461.db2.gz NJIVGFJIHPTDKM-UHFFFAOYSA-N 0 0 302.374 3.050 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000188414142 333365835 /nfs/dbraw/zinc/36/58/35/333365835.db2.gz OXCKAUUQCHUQRW-SFHVURJKSA-N 0 0 320.408 3.085 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)[C@@H](C)CO ZINC000217240256 333390242 /nfs/dbraw/zinc/39/02/42/333390242.db2.gz PALIBQUNQFMPAA-AGIUHOORSA-N 0 0 321.446 3.077 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338123265 333470200 /nfs/dbraw/zinc/47/02/00/333470200.db2.gz VUPVQKGJPPQAKT-DOMZBBRYSA-N 0 0 306.381 3.476 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338137577 333471898 /nfs/dbraw/zinc/47/18/98/333471898.db2.gz DFEDJYDJOYJZJD-CRAIPNDOSA-N 0 0 321.392 3.167 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)c1nc(C)c(C(=O)OCC)s1 ZINC000185724718 335147281 /nfs/dbraw/zinc/14/72/81/335147281.db2.gz GGIHPMVQRZEZKG-JTQLQIEISA-N 0 0 310.419 3.193 10 30 DGEERN C=CC[C@H](CO)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000185701737 335148399 /nfs/dbraw/zinc/14/83/99/335148399.db2.gz WJOPHPUZVRZWGH-CFRMROPGSA-N 0 0 313.319 3.162 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000340141730 334134928 /nfs/dbraw/zinc/13/49/28/334134928.db2.gz JFNBRGRPCQQCEI-GOSISDBHSA-N 0 0 317.429 3.348 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064241700 334380204 /nfs/dbraw/zinc/38/02/04/334380204.db2.gz KNPJTBUJQRSVBC-UHFFFAOYSA-N 0 0 324.383 3.038 10 30 DGEERN CCCOc1cccc(CC(=O)N[C@@](C)(C#N)CC(C)C)c1 ZINC000535326878 334716438 /nfs/dbraw/zinc/71/64/38/334716438.db2.gz TYWIMGNBOKDOKV-GOSISDBHSA-N 0 0 302.418 3.462 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000077261672 334922378 /nfs/dbraw/zinc/92/23/78/334922378.db2.gz VIOSRNCNFSMBFM-UHFFFAOYSA-N 0 0 301.390 3.465 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(SC)ccc1C ZINC000518968496 335753421 /nfs/dbraw/zinc/75/34/21/335753421.db2.gz NIQYXLCUEQTQRO-WFASDCNBSA-N 0 0 306.431 3.430 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnccc1C ZINC000358215427 336617253 /nfs/dbraw/zinc/61/72/53/336617253.db2.gz SILZDSAOBVTRGH-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnnc(-c2ccccc2)c1 ZINC000361674630 336768230 /nfs/dbraw/zinc/76/82/30/336768230.db2.gz RMCPGTBQDCQEIV-UHFFFAOYSA-N 0 0 321.302 3.334 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188701822 337005192 /nfs/dbraw/zinc/00/51/92/337005192.db2.gz NWKGTCUCUBHVTL-ZIAGYGMSSA-N 0 0 316.405 3.416 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188701703 337005212 /nfs/dbraw/zinc/00/52/12/337005212.db2.gz XLKDFVVZWBWBIO-QGZVFWFLSA-N 0 0 316.445 3.384 10 30 DGEERN C[C@H]1CC[C@H](C)N(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188701801 337005247 /nfs/dbraw/zinc/00/52/47/337005247.db2.gz NWKGTCUCUBHVTL-KBPBESRZSA-N 0 0 316.405 3.416 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000582828900 337206371 /nfs/dbraw/zinc/20/63/71/337206371.db2.gz ALSIOVYZFGADBP-RDJZCZTQSA-N 0 0 315.417 3.452 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000583119575 337243712 /nfs/dbraw/zinc/24/37/12/337243712.db2.gz QKTSHIPAFDLRFM-HNNXBMFYSA-N 0 0 311.385 3.111 10 30 DGEERN C=CCCCCCNC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000584419249 337323374 /nfs/dbraw/zinc/32/33/74/337323374.db2.gz AHKHFOFUEPXFIN-HZPDHXFCSA-N 0 0 306.450 3.476 10 30 DGEERN Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(F)c(F)c3)c21 ZINC000584618860 337373284 /nfs/dbraw/zinc/37/32/84/337373284.db2.gz ULDGVPWSAWYWRP-UHFFFAOYSA-N 0 0 311.291 3.094 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCS1(=O)=O ZINC000571698988 337571782 /nfs/dbraw/zinc/57/17/82/337571782.db2.gz VUGOYGHRERMBBE-OAHLLOKOSA-N 0 0 321.442 3.054 10 30 DGEERN C=CCNc1nnc(SCc2ccc(OC)c(C#N)c2)s1 ZINC000162449151 337625971 /nfs/dbraw/zinc/62/59/71/337625971.db2.gz OAAQPJOBWGFMLF-UHFFFAOYSA-N 0 0 318.427 3.309 10 30 DGEERN C=CCOCCCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000079957588 337637627 /nfs/dbraw/zinc/63/76/27/337637627.db2.gz HKYOAIXBACVGLK-KRWDZBQOSA-N 0 0 317.429 3.348 10 30 DGEERN C=C[C@H](CC(=O)N[C@H](C(=O)OC)c1ccccc1)c1ccccc1 ZINC000123010248 337937663 /nfs/dbraw/zinc/93/76/63/337937663.db2.gz FDPHJJCEMNNIBD-BEFAXECRSA-N 0 0 323.392 3.377 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC000005239892 338008830 /nfs/dbraw/zinc/00/88/30/338008830.db2.gz QDNYCHBMMOIHIZ-UHFFFAOYSA-N 0 0 312.325 3.341 10 30 DGEERN Cc1cc(Br)cc(C)c1CNC(=O)NC[C@H](C)C#N ZINC000516504316 338014056 /nfs/dbraw/zinc/01/40/56/338014056.db2.gz LZEJQEAATXFLBW-SECBINFHSA-N 0 0 324.222 3.025 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C)=C(C)C1 ZINC000504371449 340146232 /nfs/dbraw/zinc/14/62/32/340146232.db2.gz QTZIYIOKTVKSJW-UHFFFAOYSA-N 0 0 312.413 3.312 10 30 DGEERN C#C[C@]1(O)CC[C@H]2c3ccc4c(c3CC[C@@]21CC)CCC(=O)C4 ZINC000504767980 340152370 /nfs/dbraw/zinc/15/23/70/340152370.db2.gz WWHYYFPSWOYNJF-ACRUOGEOSA-N 0 0 308.421 3.329 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@H](C)Cn1cccn1 ZINC000505023848 340159136 /nfs/dbraw/zinc/15/91/36/340159136.db2.gz PEPPLDLWESMBEU-OAHLLOKOSA-N 0 0 312.417 3.460 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1oncc1C(=O)OC ZINC000505547925 340170714 /nfs/dbraw/zinc/17/07/14/340170714.db2.gz WMLYOQJNORKHOS-UHFFFAOYSA-N 0 0 317.341 3.086 10 30 DGEERN C=C(C)CCN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000505546042 340170744 /nfs/dbraw/zinc/17/07/44/340170744.db2.gz BBYKOWKPEDHWES-OAHLLOKOSA-N 0 0 310.756 3.212 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000505803521 340178444 /nfs/dbraw/zinc/17/84/44/340178444.db2.gz WFVYSXKGXXUNJW-GOEBONIOSA-N 0 0 314.429 3.439 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC(C)=C[C@@H](C)C2)cc1 ZINC000508414260 340243405 /nfs/dbraw/zinc/24/34/05/340243405.db2.gz SLKRSZLJBYNBBP-CQSZACIVSA-N 0 0 300.402 3.359 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000508467974 340244244 /nfs/dbraw/zinc/24/42/44/340244244.db2.gz ZXZQTBHTYVZBPS-HIFRSBDPSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC000508492233 340244723 /nfs/dbraw/zinc/24/47/23/340244723.db2.gz IRQNEXDNSZWOPC-CPUCHLNUSA-N 0 0 324.428 3.233 10 30 DGEERN C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CC ZINC000508503483 340245025 /nfs/dbraw/zinc/24/50/25/340245025.db2.gz GFZZJLWXNYMMPC-UHFFFAOYSA-N 0 0 307.401 3.444 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](CC)C1 ZINC000508816988 340253623 /nfs/dbraw/zinc/25/36/23/340253623.db2.gz LQMAKFNWINBGBF-RHSMWYFYSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1CCC(F)(F)C1 ZINC000508816532 340253686 /nfs/dbraw/zinc/25/36/86/340253686.db2.gz JNLNITRUANSWBZ-UHFFFAOYSA-N 0 0 318.371 3.209 10 30 DGEERN C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC=C ZINC000508843272 340254201 /nfs/dbraw/zinc/25/42/01/340254201.db2.gz BSKQUWSRSCUMNI-UHFFFAOYSA-N 0 0 307.401 3.245 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC000508889969 340255358 /nfs/dbraw/zinc/25/53/58/340255358.db2.gz VFKZEMGYAMXXQX-HUUCEWRRSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC1 ZINC000508938258 340256053 /nfs/dbraw/zinc/25/60/53/340256053.db2.gz IIYNKVDAFBIUIL-UHFFFAOYSA-N 0 0 302.809 3.309 10 30 DGEERN C=CCNC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000509139549 340262146 /nfs/dbraw/zinc/26/21/46/340262146.db2.gz PLXLQKITOWZMCS-CQSZACIVSA-N 0 0 316.298 3.472 10 30 DGEERN C=CCCCN(C)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000509417860 340268902 /nfs/dbraw/zinc/26/89/02/340268902.db2.gz GNBRNMPQHXQGMB-UHFFFAOYSA-N 0 0 301.839 3.110 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC1(C)C ZINC000512386990 340360039 /nfs/dbraw/zinc/36/00/39/340360039.db2.gz KHTLEZSLOIZAJG-OAHLLOKOSA-N 0 0 317.389 3.481 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000512617730 340369295 /nfs/dbraw/zinc/36/92/95/340369295.db2.gz GODBHMMLQZUDDG-NHCUHLMSSA-N 0 0 321.420 3.488 10 30 DGEERN C=C(CNC(=O)N1CCc2cc(OC)ccc21)c1ccccc1 ZINC000512676391 340372634 /nfs/dbraw/zinc/37/26/34/340372634.db2.gz CCXRNXNRQYHXBQ-UHFFFAOYSA-N 0 0 308.381 3.481 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000174141713 340382894 /nfs/dbraw/zinc/38/28/94/340382894.db2.gz OFUONSBWRJJLRS-HNNXBMFYSA-N 0 0 302.418 3.199 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC000183299908 340487340 /nfs/dbraw/zinc/48/73/40/340487340.db2.gz LZQFPWQKVIEAHY-IBGZPJMESA-N 0 0 324.424 3.398 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nc([C@@H](C)SCC)no1 ZINC000185887012 340506185 /nfs/dbraw/zinc/50/61/85/340506185.db2.gz AZKYHLFHVPSRNM-VXGBXAGGSA-N 0 0 311.451 3.444 10 30 DGEERN CC1(C)CC[C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)O1 ZINC000187243902 340518611 /nfs/dbraw/zinc/51/86/11/340518611.db2.gz UWDREBROAMPFQH-CVEARBPZSA-N 0 0 315.417 3.288 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000187459410 340520374 /nfs/dbraw/zinc/52/03/74/340520374.db2.gz SKDFSFPOBGGBNN-SJORKVTESA-N 0 0 315.413 3.148 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCC(C)(C)CC#N ZINC000189137481 340527693 /nfs/dbraw/zinc/52/76/93/340527693.db2.gz QNYBUGQKADXTGC-STQMWFEESA-N 0 0 324.421 3.163 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCCOCC(F)(F)F ZINC000194593612 340593796 /nfs/dbraw/zinc/59/37/96/340593796.db2.gz IBYHINYKTGWUQK-UHFFFAOYSA-N 0 0 305.252 3.281 10 30 DGEERN C=CCCCN(C)C(=O)NCCCN(C)c1ccccc1F ZINC000303918156 340642898 /nfs/dbraw/zinc/64/28/98/340642898.db2.gz VNISHEZHGMYFHP-UHFFFAOYSA-N 0 0 307.413 3.260 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000128378521 340879937 /nfs/dbraw/zinc/87/99/37/340879937.db2.gz ACILWNSBLRNXHH-KBPBESRZSA-N 0 0 321.852 3.303 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C ZINC000542699112 341017781 /nfs/dbraw/zinc/01/77/81/341017781.db2.gz GFCMRIVRBRUXGG-SOLBZPMBSA-N 0 0 316.445 3.182 10 30 DGEERN CC1(C#N)CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000542798339 341021015 /nfs/dbraw/zinc/02/10/15/341021015.db2.gz AYQNUIPAGGFLDJ-UHFFFAOYSA-N 0 0 324.384 3.177 10 30 DGEERN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC(C)(C#N)CC1 ZINC000542815829 341021803 /nfs/dbraw/zinc/02/18/03/341021803.db2.gz CRWZUCBUBPIPDE-CQSZACIVSA-N 0 0 312.413 3.095 10 30 DGEERN N#CCC1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000543838134 341061174 /nfs/dbraw/zinc/06/11/74/341061174.db2.gz LWOMOGNJIXRJBX-ZFWWWQNUSA-N 0 0 304.340 3.221 10 30 DGEERN C=CCc1ccc(OCC(=O)NCCC2=CCCC2)c(OC)c1 ZINC000131216663 341065980 /nfs/dbraw/zinc/06/59/80/341065980.db2.gz NJVFIOOPRABIGT-UHFFFAOYSA-N 0 0 315.413 3.419 10 30 DGEERN CC#CCCNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000544583537 341087282 /nfs/dbraw/zinc/08/72/82/341087282.db2.gz XTVLUXVEFIZJGP-LBPRGKRZSA-N 0 0 308.219 3.472 10 30 DGEERN CC#CCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000545913314 341145734 /nfs/dbraw/zinc/14/57/34/341145734.db2.gz WNDXAQQLHKXJGD-UHFFFAOYSA-N 0 0 303.358 3.044 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)Nc1cc(CCC)[nH]n1 ZINC000133721027 341183208 /nfs/dbraw/zinc/18/32/08/341183208.db2.gz PQFGEROTNXUMAB-UHFFFAOYSA-N 0 0 315.373 3.188 10 30 DGEERN C=C(C)CNC(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000547630933 341224086 /nfs/dbraw/zinc/22/40/86/341224086.db2.gz PBRCFAZVSWGBEG-UHFFFAOYSA-N 0 0 301.415 3.494 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000135271190 341235087 /nfs/dbraw/zinc/23/50/87/341235087.db2.gz KFHGYPHULAWYJT-ZDUSSCGKSA-N 0 0 324.218 3.350 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548092360 341246690 /nfs/dbraw/zinc/24/66/90/341246690.db2.gz DJTHKCNLKDWRNI-UHFFFAOYSA-N 0 0 311.341 3.208 10 30 DGEERN C=CCN(C)C(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000548658384 341268796 /nfs/dbraw/zinc/26/87/96/341268796.db2.gz GBRGCTBHYRYWCV-UHFFFAOYSA-N 0 0 301.415 3.446 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCCOC[C@H]1CCCO1 ZINC000548809322 341276621 /nfs/dbraw/zinc/27/66/21/341276621.db2.gz DPMSBEBSDHURQO-MRXNPFEDSA-N 0 0 318.417 3.122 10 30 DGEERN CCc1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC000549965767 341308060 /nfs/dbraw/zinc/30/80/60/341308060.db2.gz ZIJFBDMSPNQKKC-UHFFFAOYSA-N 0 0 315.446 3.080 10 30 DGEERN CCc1ccccc1OCCC(=O)NCC1CCC(C#N)CC1 ZINC000552212711 341378633 /nfs/dbraw/zinc/37/86/33/341378633.db2.gz QLLBWINAOGRZSC-UHFFFAOYSA-N 0 0 314.429 3.464 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1scnc1C1CC1 ZINC000090012089 341412450 /nfs/dbraw/zinc/41/24/50/341412450.db2.gz YDKLRTBVMJBYMH-UHFFFAOYSA-N 0 0 301.371 3.170 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000553507348 341430751 /nfs/dbraw/zinc/43/07/51/341430751.db2.gz PEEPVSFHLXDGIN-KBXCAEBGSA-N 0 0 303.402 3.183 10 30 DGEERN C=CCC1(NC(=O)c2cnn3c2C[C@H](C)CC3)CCCCC1 ZINC000564657494 341506253 /nfs/dbraw/zinc/50/62/53/341506253.db2.gz HEKGFOMRSPMWSO-CQSZACIVSA-N 0 0 301.434 3.474 10 30 DGEERN C=CCCCCCNC(=O)NCCC(=O)Nc1ccccc1 ZINC000565666626 341534501 /nfs/dbraw/zinc/53/45/01/341534501.db2.gz SAKFZXRVJQMUGI-UHFFFAOYSA-N 0 0 303.406 3.061 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)C1CCOCC1 ZINC000566095789 341547559 /nfs/dbraw/zinc/54/75/59/341547559.db2.gz PKVLXNUMKUQGKH-CQSZACIVSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(C#N)CC1 ZINC000566732374 341566545 /nfs/dbraw/zinc/56/65/45/341566545.db2.gz IYLVXTDJMPMBTC-AWEZNQCLSA-N 0 0 317.462 3.162 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000566832707 341569522 /nfs/dbraw/zinc/56/95/22/341569522.db2.gz VNAAXSYBZTZIGB-YMAMQOFZSA-N 0 0 318.421 3.154 10 30 DGEERN CCc1noc(C)c1NC(=O)N(CCC#N)Cc1ccco1 ZINC000155599690 341610017 /nfs/dbraw/zinc/61/00/17/341610017.db2.gz FRTSOUMEQMCXRC-UHFFFAOYSA-N 0 0 302.334 3.086 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC1(COC)CC1 ZINC000567757315 341631915 /nfs/dbraw/zinc/63/19/15/341631915.db2.gz LEPAFSXHXOIJKP-KRWDZBQOSA-N 0 0 316.445 3.290 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000568816384 341682560 /nfs/dbraw/zinc/68/25/60/341682560.db2.gz JKIWKNFHESMQFU-KBPBESRZSA-N 0 0 300.406 3.077 10 30 DGEERN CC#CCCNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000573610962 341733481 /nfs/dbraw/zinc/73/34/81/341733481.db2.gz KDYNSGJQPANEJF-AWEZNQCLSA-N 0 0 306.203 3.009 10 30 DGEERN CC#CCCNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000573610964 341733507 /nfs/dbraw/zinc/73/35/07/341733507.db2.gz KDYNSGJQPANEJF-CQSZACIVSA-N 0 0 306.203 3.009 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCC1=CCCCC1 ZINC000328635136 341735247 /nfs/dbraw/zinc/73/52/47/341735247.db2.gz UOEAXWWMSPQZJB-GDBMZVCRSA-N 0 0 303.406 3.345 10 30 DGEERN C=CCCCCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000574098887 341748449 /nfs/dbraw/zinc/74/84/49/341748449.db2.gz UPTZRXWGTLIJQB-UHFFFAOYSA-N 0 0 324.388 3.007 10 30 DGEERN C=C(C)[C@H](NC(=O)NCC1=CCOCC1)c1ccc(F)c(F)c1 ZINC000574251220 341753256 /nfs/dbraw/zinc/75/32/56/341753256.db2.gz YQJKUDFYLKRKCI-INIZCTEOSA-N 0 0 322.355 3.228 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCCCC1CC1 ZINC000558633512 500571241 /nfs/dbraw/zinc/57/12/41/500571241.db2.gz BOVAXINUPWVVQW-UHFFFAOYSA-N 0 0 300.402 3.050 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1CCC(C)(C)CC1 ZINC000128173011 500931355 /nfs/dbraw/zinc/93/13/55/500931355.db2.gz QIINVZRQDRCJDX-ZDUSSCGKSA-N 0 0 300.402 3.411 10 30 DGEERN Cc1ccc(-n2ncc(C(=O)N[C@H](C#N)C3CC3)c2C(C)C)cc1 ZINC000161708840 500967605 /nfs/dbraw/zinc/96/76/05/500967605.db2.gz FGSHOPJDEZLPMO-QGZVFWFLSA-N 0 0 322.412 3.336 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000178637506 533727092 /nfs/dbraw/zinc/72/70/92/533727092.db2.gz DTXSAWDZMLUFNF-UHFFFAOYSA-N 0 0 312.373 3.119 10 30 DGEERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](C#N)C1CC1 ZINC000112908439 533948012 /nfs/dbraw/zinc/94/80/12/533948012.db2.gz MMBGEZSKFLWASA-KCJUWKMLSA-N 0 0 313.184 3.179 10 30 DGEERN C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(C(C)(C)C)cc1 ZINC000164756318 533953256 /nfs/dbraw/zinc/95/32/56/533953256.db2.gz CJZORIUZQULSPL-ZDUSSCGKSA-N 0 0 320.458 3.268 10 30 DGEERN COc1ccc(N(C(=O)c2cc(C#N)cn2C)[C@H](C)C2CC2)cc1 ZINC000176978302 533972912 /nfs/dbraw/zinc/97/29/12/533972912.db2.gz RRLHJCHXPKCWQH-CYBMUJFWSA-N 0 0 323.396 3.351 10 30 DGEERN C[C@H](CCc1cccn1C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181179595 533996565 /nfs/dbraw/zinc/99/65/65/533996565.db2.gz QLJZZKCIEQBVGI-OAHLLOKOSA-N 0 0 321.424 3.331 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000178623767 534119635 /nfs/dbraw/zinc/11/96/35/534119635.db2.gz MQHDWNJXXYUEFK-RDJZCZTQSA-N 0 0 310.401 3.222 10 30 DGEERN C=C(C)[C@H](CC(=O)NCCc1cc(C)c(O)c(C)c1)OCC ZINC000470897910 534333021 /nfs/dbraw/zinc/33/30/21/534333021.db2.gz ACBOBYBRTGWLAH-INIZCTEOSA-N 0 0 305.418 3.039 10 30 DGEERN Cn1nnc2cc(C(=O)NC3C4CC5CC(C4)CC3C5)ccc21 ZINC000329474709 534339174 /nfs/dbraw/zinc/33/91/74/534339174.db2.gz AYRLJJNSTIBPHU-UHFFFAOYSA-N 0 0 310.401 3.098 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CC)c(OC)c1 ZINC000455879347 534350006 /nfs/dbraw/zinc/35/00/06/534350006.db2.gz PZVRGGFEAJHDPR-RHSMWYFYSA-N 0 0 318.417 3.360 10 30 DGEERN Cn1nnc2ccc(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)cc21 ZINC000329515739 534352075 /nfs/dbraw/zinc/35/20/75/534352075.db2.gz OROWXRASBPFBHQ-GJZGRUSLSA-N 0 0 312.417 3.489 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C)CC1 ZINC000453432957 534449251 /nfs/dbraw/zinc/44/92/51/534449251.db2.gz CBHANMDUWFRTBE-GJZGRUSLSA-N 0 0 304.438 3.332 10 30 DGEERN C=CC(C)(C)CNC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000458649654 534512571 /nfs/dbraw/zinc/51/25/71/534512571.db2.gz NEAXUOYEUTVEAM-UHFFFAOYSA-N 0 0 310.401 3.155 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000454667041 534513993 /nfs/dbraw/zinc/51/39/93/534513993.db2.gz MRSPHAZPDNQWJI-CQSZACIVSA-N 0 0 312.417 3.445 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000455151282 534515732 /nfs/dbraw/zinc/51/57/32/534515732.db2.gz WINHRYIGCKKTLB-UHFFFAOYSA-N 0 0 315.417 3.319 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cc(C)n(Cc2ccncc2)c1C ZINC000452772484 534517732 /nfs/dbraw/zinc/51/77/32/534517732.db2.gz FMFOBOPVPBUJFH-UHFFFAOYSA-N 0 0 311.429 3.490 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000488848669 534545212 /nfs/dbraw/zinc/54/52/12/534545212.db2.gz CSHCIFSBNUPBPU-OAHLLOKOSA-N 0 0 315.413 3.346 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000488881870 534554014 /nfs/dbraw/zinc/55/40/14/534554014.db2.gz UJNRDUNYBYDKGP-OWCLPIDISA-N 0 0 313.397 3.128 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000488859107 534554948 /nfs/dbraw/zinc/55/49/48/534554948.db2.gz PKRNUODDFRKVDB-XKQJLSEDSA-N 0 0 312.413 3.462 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000488874116 534556716 /nfs/dbraw/zinc/55/67/16/534556716.db2.gz CRCPEMUXDDMWCZ-MRXNPFEDSA-N 0 0 312.417 3.268 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccc(F)cc1C ZINC000455421012 534565280 /nfs/dbraw/zinc/56/52/80/534565280.db2.gz LWEWSCSFBXJPDG-CVEARBPZSA-N 0 0 306.381 3.009 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000180198506 534572940 /nfs/dbraw/zinc/57/29/40/534572940.db2.gz AXVCFHQNYVIJEI-INIZCTEOSA-N 0 0 320.396 3.332 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCC[C@@H]3CCCCO3)cc2)CC1 ZINC000183399649 534575492 /nfs/dbraw/zinc/57/54/92/534575492.db2.gz JCVYDJZPPGACOJ-KRWDZBQOSA-N 0 0 312.413 3.321 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCOc3ccccc3)cc2)CC1 ZINC000182423325 534575746 /nfs/dbraw/zinc/57/57/46/534575746.db2.gz TZBWGJXVYZOHAC-UHFFFAOYSA-N 0 0 306.365 3.051 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000452148987 534578628 /nfs/dbraw/zinc/57/86/28/534578628.db2.gz RSAGUJDCTIQHEK-BMFZPTHFSA-N 0 0 305.805 3.247 10 30 DGEERN N#CC1CCC(CNC(=O)NCCCOC2CCCCC2)CC1 ZINC000441003122 534580835 /nfs/dbraw/zinc/58/08/35/534580835.db2.gz MGGFGEYHAIYLRJ-UHFFFAOYSA-N 0 0 321.465 3.355 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc([C@H](Cc2ccccc2)OC)no1 ZINC000453237935 534619551 /nfs/dbraw/zinc/61/95/51/534619551.db2.gz VNCFIZNTRJZMQD-YJBOKZPZSA-N 0 0 316.401 3.480 10 30 DGEERN Cc1cnc([C@H](C)NC(=O)N2CCO[C@H](C3CCCCC3)C2)o1 ZINC000329668402 534630066 /nfs/dbraw/zinc/63/00/66/534630066.db2.gz LVHCWJHDZRUMOK-ZFWWWQNUSA-N 0 0 321.421 3.239 10 30 DGEERN C=CCCCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000471705676 534689031 /nfs/dbraw/zinc/68/90/31/534689031.db2.gz LVPBKNLDMSGPHW-UHFFFAOYSA-N 0 0 304.365 3.039 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455634202 534690104 /nfs/dbraw/zinc/69/01/04/534690104.db2.gz HJMGGLLWWKOOQN-VHSXEESVSA-N 0 0 319.352 3.497 10 30 DGEERN C=C[C@H]1CCCCN1CC(=O)N(CC(C)C)CC(F)(F)F ZINC000489448716 534693834 /nfs/dbraw/zinc/69/38/34/534693834.db2.gz NJCZXFKKGYLOJP-ZDUSSCGKSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451209501 534711093 /nfs/dbraw/zinc/71/10/93/534711093.db2.gz DDDJBLMWASKIBB-UHFFFAOYSA-N 0 0 324.833 3.475 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451209500 534711783 /nfs/dbraw/zinc/71/17/83/534711783.db2.gz DCOGCDYGUAIUQC-UHFFFAOYSA-N 0 0 305.802 3.207 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454878484 534725581 /nfs/dbraw/zinc/72/55/81/534725581.db2.gz STIGGVOZUICOPY-HNNXBMFYSA-N 0 0 317.389 3.450 10 30 DGEERN C=CCCCS(=O)(=O)NCc1ccc(F)cc1CSC ZINC000489571737 534743903 /nfs/dbraw/zinc/74/39/03/534743903.db2.gz LLRJVEBDQHNMDT-UHFFFAOYSA-N 0 0 317.451 3.074 10 30 DGEERN C=CCCCS(=O)(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000489056772 534745076 /nfs/dbraw/zinc/74/50/76/534745076.db2.gz YYVSGGVIQJQNOY-MRXNPFEDSA-N 0 0 305.399 3.255 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000456781991 534790379 /nfs/dbraw/zinc/79/03/79/534790379.db2.gz UENBSGPMMVZCNX-JTQLQIEISA-N 0 0 310.756 3.017 10 30 DGEERN N#Cc1ccnc(NC(=O)CCCOc2ccc3c(c2)CCC3)c1 ZINC000435999977 534823732 /nfs/dbraw/zinc/82/37/32/534823732.db2.gz KFSRTKYRRYWIKS-UHFFFAOYSA-N 0 0 321.380 3.240 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccncc1C ZINC000471761392 534839655 /nfs/dbraw/zinc/83/96/55/534839655.db2.gz QYAFLBZMCXHIQZ-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN Cc1nc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c(C)s1 ZINC000178561953 534875860 /nfs/dbraw/zinc/87/58/60/534875860.db2.gz ONYLDEMULSZNMF-KRWDZBQOSA-N 0 0 313.426 3.405 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000129963724 526189817 /nfs/dbraw/zinc/18/98/17/526189817.db2.gz HULQFHGNRQUPTR-INIZCTEOSA-N 0 0 312.394 3.142 10 30 DGEERN C=CCN(CCC#N)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000428882730 526271272 /nfs/dbraw/zinc/27/12/72/526271272.db2.gz RZUQHCIAWCDKCB-QGZVFWFLSA-N 0 0 315.392 3.031 10 30 DGEERN C=CCN(CCOC)C(=O)c1cccc(-c2cscn2)c1 ZINC000361091227 526296951 /nfs/dbraw/zinc/29/69/51/526296951.db2.gz LGVVCUSKSHPOAT-UHFFFAOYSA-N 0 0 302.399 3.085 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cnc2cnccc2c1 ZINC000337036485 526323866 /nfs/dbraw/zinc/32/38/66/526323866.db2.gz HSKUJYSQGQAAGA-UHFFFAOYSA-N 0 0 307.353 3.094 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](CC(C)C)OC ZINC000415063671 526348721 /nfs/dbraw/zinc/34/87/21/526348721.db2.gz IQNHCZKBETZPMS-MRXNPFEDSA-N 0 0 320.389 3.171 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cncc(F)c1 ZINC000346836457 526349427 /nfs/dbraw/zinc/34/94/27/526349427.db2.gz NZUDGPNWHYZIDN-UHFFFAOYSA-N 0 0 301.321 3.317 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](CC(C)C)OC ZINC000415063670 526349684 /nfs/dbraw/zinc/34/96/84/526349684.db2.gz IQNHCZKBETZPMS-INIZCTEOSA-N 0 0 320.389 3.171 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448683781 526356460 /nfs/dbraw/zinc/35/64/60/526356460.db2.gz BXMUSSDSVBUGMT-UHFFFAOYSA-N 0 0 307.397 3.120 10 30 DGEERN CC#CCNC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000136031703 526372153 /nfs/dbraw/zinc/37/21/53/526372153.db2.gz AUIJAZQIJGZNQX-ZDUSSCGKSA-N 0 0 305.447 3.179 10 30 DGEERN C=CCN(Cc1cnn2ccccc12)Cc1cccc([N+](=O)[O-])c1 ZINC000179700992 526380192 /nfs/dbraw/zinc/38/01/92/526380192.db2.gz AZXIZCFHJJSGFD-UHFFFAOYSA-N 0 0 322.368 3.431 10 30 DGEERN C=CCN(Cc1nnc(C(C)C)[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000428458976 526380359 /nfs/dbraw/zinc/38/03/59/526380359.db2.gz LZTAAOCKOWEVAQ-UHFFFAOYSA-N 0 0 315.377 3.025 10 30 DGEERN C=CCN(Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000360212836 526381233 /nfs/dbraw/zinc/38/12/33/526381233.db2.gz LGAFLHGNWVRHJH-UHFFFAOYSA-N 0 0 312.369 3.279 10 30 DGEERN C=CCN1C(=O)N(CC(C)(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000431000710 526402618 /nfs/dbraw/zinc/40/26/18/526402618.db2.gz GFTDBBLLXPFNOF-OAHLLOKOSA-N 0 0 300.402 3.094 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000424798308 526434110 /nfs/dbraw/zinc/43/41/10/526434110.db2.gz IQPXQNJSCWEOAG-LBPRGKRZSA-N 0 0 320.399 3.368 10 30 DGEERN C=C(C)CN(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000180513016 526488305 /nfs/dbraw/zinc/48/83/05/526488305.db2.gz LVFSKYGCXBWHFW-UHFFFAOYSA-N 0 0 314.332 3.014 10 30 DGEERN C=C(C)CN(C)c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1 ZINC000339136270 526507938 /nfs/dbraw/zinc/50/79/38/526507938.db2.gz XEWLVJNLQDTEDN-OAHLLOKOSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000160013515 526544995 /nfs/dbraw/zinc/54/49/95/526544995.db2.gz INPVVQDPGUUGDQ-TZMCWYRMSA-N 0 0 318.392 3.458 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)CCC(C)=O ZINC000342374913 526553891 /nfs/dbraw/zinc/55/38/91/526553891.db2.gz NTHYQRNZKICVIE-UHFFFAOYSA-N 0 0 321.417 3.072 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc2nnn(C)c2c1 ZINC000347880949 526566989 /nfs/dbraw/zinc/56/69/89/526566989.db2.gz MJKSMZNWBQRDJN-UHFFFAOYSA-N 0 0 320.396 3.187 10 30 DGEERN C=CCNC(=O)Nc1ccc(N[C@H](C)c2cnc(C)cn2)cc1 ZINC000427832628 526620361 /nfs/dbraw/zinc/62/03/61/526620361.db2.gz DPGOCSJOFRQCLL-CYBMUJFWSA-N 0 0 311.389 3.266 10 30 DGEERN C=C(C)CNC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000154385954 526623797 /nfs/dbraw/zinc/62/37/97/526623797.db2.gz BGNIPHKGHUGZGJ-UHFFFAOYSA-N 0 0 303.387 3.201 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431295029 526645698 /nfs/dbraw/zinc/64/56/98/526645698.db2.gz NXPAFDSJFRMXFV-QGZVFWFLSA-N 0 0 315.417 3.313 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000377229766 526673946 /nfs/dbraw/zinc/67/39/46/526673946.db2.gz VSLOJTUPGVPACS-UHFFFAOYSA-N 0 0 324.811 3.300 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC(OCC(C)C)CC2)s1 ZINC000127007987 526679643 /nfs/dbraw/zinc/67/96/43/526679643.db2.gz VSFZKHBBTWBHIV-UHFFFAOYSA-N 0 0 323.462 3.018 10 30 DGEERN C=CCNc1nnc(SCc2nc(C3CCCC3)no2)s1 ZINC000161767998 526683249 /nfs/dbraw/zinc/68/32/49/526683249.db2.gz BPSVEAMFVSGCRY-UHFFFAOYSA-N 0 0 323.447 3.469 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000189798626 526686771 /nfs/dbraw/zinc/68/67/71/526686771.db2.gz MQWYSFLBRROZET-CYBMUJFWSA-N 0 0 315.822 3.049 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)C[C@H]1COc2ccccc2O1 ZINC000184976079 526692006 /nfs/dbraw/zinc/69/20/06/526692006.db2.gz IIYWOKIBZDCIQN-CABCVRRESA-N 0 0 303.402 3.277 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000185068584 526692149 /nfs/dbraw/zinc/69/21/49/526692149.db2.gz WMQFJOZEOXIETA-MRXNPFEDSA-N 0 0 316.445 3.084 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000185790770 526693766 /nfs/dbraw/zinc/69/37/66/526693766.db2.gz FGLJAXFELLGCGU-WBVHZDCISA-N 0 0 309.450 3.165 10 30 DGEERN C#CCCCCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189553805 526696770 /nfs/dbraw/zinc/69/67/70/526696770.db2.gz URBLIRDPTRJTDC-UHFFFAOYSA-N 0 0 312.413 3.068 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCOc1cc(OC)cc(OC)c1 ZINC000185813122 526698207 /nfs/dbraw/zinc/69/82/07/526698207.db2.gz SHYAYEVZEAOCNX-CQSZACIVSA-N 0 0 321.417 3.191 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(C(=O)NCCC)c1 ZINC000185371314 526700014 /nfs/dbraw/zinc/70/00/14/526700014.db2.gz BYOGARCWVOCQSZ-CQSZACIVSA-N 0 0 302.418 3.045 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185792271 526700309 /nfs/dbraw/zinc/70/03/09/526700309.db2.gz FRQVIDGBJHLCQL-KGLIPLIRSA-N 0 0 313.401 3.440 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000185505963 526703416 /nfs/dbraw/zinc/70/34/16/526703416.db2.gz KTWLWVBNJBMWBY-GFCCVEGCSA-N 0 0 315.373 3.498 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000185174879 526705230 /nfs/dbraw/zinc/70/52/30/526705230.db2.gz MAWFONFSUKNBMN-ZDUSSCGKSA-N 0 0 320.458 3.408 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000352067686 526711783 /nfs/dbraw/zinc/71/17/83/526711783.db2.gz FHBAXURKCYNVGX-UWVGGRQHSA-N 0 0 312.211 3.019 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000293382452 526711916 /nfs/dbraw/zinc/71/19/16/526711916.db2.gz QXPWKONLTNPFSF-LSDHHAIUSA-N 0 0 304.409 3.371 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000185436544 526714434 /nfs/dbraw/zinc/71/44/34/526714434.db2.gz SWANAGPFQHCIPH-HNNXBMFYSA-N 0 0 302.418 3.060 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000185345745 526714710 /nfs/dbraw/zinc/71/47/10/526714710.db2.gz XWBFQDJLUIQMET-ZDUSSCGKSA-N 0 0 305.374 3.169 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCOC[C@H]1C ZINC000292988288 526717413 /nfs/dbraw/zinc/71/74/13/526717413.db2.gz NQBJBKPQOYYBPZ-OAHLLOKOSA-N 0 0 312.417 3.055 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCSC[C@@H]1C ZINC000359113654 526718186 /nfs/dbraw/zinc/71/81/86/526718186.db2.gz GDMCJGJXKIQINV-LBPRGKRZSA-N 0 0 304.419 3.056 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC000338804709 526719737 /nfs/dbraw/zinc/71/97/37/526719737.db2.gz WMNXTCHSLFLNRM-DZGCQCFKSA-N 0 0 316.405 3.118 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)Cc1ccccn1 ZINC000338810891 526728296 /nfs/dbraw/zinc/72/82/96/526728296.db2.gz OUNYHPVDFHFRDZ-UHFFFAOYSA-N 0 0 313.449 3.474 10 30 DGEERN C=CCOCCCC(=O)Nc1cc2cccnc2c(OC)c1 ZINC000341193723 526743672 /nfs/dbraw/zinc/74/36/72/526743672.db2.gz SNLCDKYJMALTOT-UHFFFAOYSA-N 0 0 300.358 3.165 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000361462896 526744934 /nfs/dbraw/zinc/74/49/34/526744934.db2.gz KECVEPZZNDDLQM-UHFFFAOYSA-N 0 0 304.390 3.202 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(CSC)c1 ZINC000346582646 526762989 /nfs/dbraw/zinc/76/29/89/526762989.db2.gz FBMHDJZYEPXUGQ-HOTGVXAUSA-N 0 0 305.443 3.147 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC000415612311 526768224 /nfs/dbraw/zinc/76/82/24/526768224.db2.gz KOCXXEUOPPNDRV-NEPJUHHUSA-N 0 0 305.340 3.207 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000437779356 526775719 /nfs/dbraw/zinc/77/57/19/526775719.db2.gz WNVPBVKJUPVGDW-LXZKKBNFSA-N 0 0 320.433 3.190 10 30 DGEERN C=CCOCCSc1nnc(C(C)C)n1Cc1ccco1 ZINC000338540284 526785141 /nfs/dbraw/zinc/78/51/41/526785141.db2.gz OUXQRUYSWMFERC-UHFFFAOYSA-N 0 0 307.419 3.338 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC000331249179 526791002 /nfs/dbraw/zinc/79/10/02/526791002.db2.gz VFHMAKQCMLGCQB-ZFWWWQNUSA-N 0 0 306.406 3.467 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(N(C)C)c1C ZINC000436382934 526799371 /nfs/dbraw/zinc/79/93/71/526799371.db2.gz CYTWJTWRQBCQLO-YOEHRIQHSA-N 0 0 317.433 3.164 10 30 DGEERN C=C(C)[C@H](CC(=O)N(CCc1nccs1)C(C)C)OCC ZINC000339481805 526806174 /nfs/dbraw/zinc/80/61/74/526806174.db2.gz PKGYQXNJGBKVNB-AWEZNQCLSA-N 0 0 310.463 3.294 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCCC1 ZINC000415612319 526829260 /nfs/dbraw/zinc/82/92/60/526829260.db2.gz KOCXXEUOPPNDRV-VXGBXAGGSA-N 0 0 305.340 3.207 10 30 DGEERN C=CCOc1ccc(C(=O)NCCc2ccsc2)cc1OC ZINC000337965842 526846120 /nfs/dbraw/zinc/84/61/20/526846120.db2.gz ADXFWCMFIQMJHB-UHFFFAOYSA-N 0 0 317.410 3.294 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1OCCC2 ZINC000366655365 526846905 /nfs/dbraw/zinc/84/69/05/526846905.db2.gz QLOCTASAGRXGON-GOEBONIOSA-N 0 0 316.401 3.114 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(F)cc(F)c1F ZINC000296981208 526847538 /nfs/dbraw/zinc/84/75/38/526847538.db2.gz HBKNDHMICWQDLG-LKFCYVNXSA-N 0 0 314.307 3.207 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2cnc(C)nc2C2CC2)cc1 ZINC000410813170 526862125 /nfs/dbraw/zinc/86/21/25/526862125.db2.gz PBMHSDIDEQVYRR-UHFFFAOYSA-N 0 0 323.396 3.408 10 30 DGEERN C=C(CC)CSCCC(=O)NCc1ccc(OC)cc1OC ZINC000419446655 526862581 /nfs/dbraw/zinc/86/25/81/526862581.db2.gz TZVNQXOGTSUHLG-UHFFFAOYSA-N 0 0 323.458 3.410 10 30 DGEERN C=CCOc1ccc(CN2CCN(c3cnccc3C)CC2)cc1 ZINC000343637976 526869294 /nfs/dbraw/zinc/86/92/94/526869294.db2.gz KNRUDBWQAYFOJT-UHFFFAOYSA-N 0 0 323.440 3.277 10 30 DGEERN C=C(CNC(=O)N[C@H](CO)c1sccc1C)c1ccccc1 ZINC000358586533 526875232 /nfs/dbraw/zinc/87/52/32/526875232.db2.gz JUQRCWFAPBHISV-OAHLLOKOSA-N 0 0 316.426 3.103 10 30 DGEERN C=C(CSc1nnc(Cc2cccc(F)c2)o1)C(=O)OCC ZINC000187686522 526885325 /nfs/dbraw/zinc/88/53/25/526885325.db2.gz DKOGYOSVBUVWCX-UHFFFAOYSA-N 0 0 322.361 3.011 10 30 DGEERN C=C(Cl)C[S@](=O)Cc1sc(C)nc1C(F)(F)F ZINC000183693034 526892126 /nfs/dbraw/zinc/89/21/26/526892126.db2.gz FGZVHQYJRDUGDL-KRWDZBQOSA-N 0 0 303.758 3.472 10 30 DGEERN C=C1CCN(c2nnc(CCC(C)C)n2CCCOCC)CC1 ZINC000338890764 526908910 /nfs/dbraw/zinc/90/89/10/526908910.db2.gz XSKVLBJKGZWRPB-UHFFFAOYSA-N 0 0 320.481 3.450 10 30 DGEERN C=C1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2C)CC1 ZINC000337926877 526909098 /nfs/dbraw/zinc/90/90/98/526909098.db2.gz NVBVALUUDXRKOJ-IRXDYDNUSA-N 0 0 324.428 3.217 10 30 DGEERN C=CCOc1ccccc1CN(CCOC)Cc1cccnc1 ZINC000349010964 526929577 /nfs/dbraw/zinc/92/95/77/526929577.db2.gz QYOWJBQSUJAEKD-UHFFFAOYSA-N 0 0 312.413 3.295 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1sccc1COC ZINC000181778199 526948797 /nfs/dbraw/zinc/94/87/97/526948797.db2.gz NLJKQSOCRWGIGW-UHFFFAOYSA-N 0 0 317.410 3.389 10 30 DGEERN C=CCOc1ccccc1C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000426675443 526949184 /nfs/dbraw/zinc/94/91/84/526949184.db2.gz SEPCAYRAFUISJN-HNNXBMFYSA-N 0 0 305.418 3.478 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(COCCO)cc1 ZINC000424198794 526952795 /nfs/dbraw/zinc/95/27/95/526952795.db2.gz DOCHAWLHVSIRPI-UHFFFAOYSA-N 0 0 313.397 3.372 10 30 DGEERN C=CCSCCNC(=O)Cc1cscc1Br ZINC000294092909 526984946 /nfs/dbraw/zinc/98/49/46/526984946.db2.gz CZXAENKMQLRTPH-UHFFFAOYSA-N 0 0 320.277 3.089 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000340391584 526987848 /nfs/dbraw/zinc/98/78/48/526987848.db2.gz LFEKCAMHKJIXPE-UHFFFAOYSA-N 0 0 320.408 3.085 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000342833228 526995741 /nfs/dbraw/zinc/99/57/41/526995741.db2.gz JROPOEZEGTVIPO-GFCCVEGCSA-N 0 0 307.825 3.032 10 30 DGEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000342909615 526999853 /nfs/dbraw/zinc/99/98/53/526999853.db2.gz XQSAJSPDUGFTJP-CYBMUJFWSA-N 0 0 318.417 3.051 10 30 DGEERN C=CCSCCNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000356508629 527001147 /nfs/dbraw/zinc/00/11/47/527001147.db2.gz FLYLBGYVSGCPNV-MRXNPFEDSA-N 0 0 305.443 3.230 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000131691609 527023523 /nfs/dbraw/zinc/02/35/23/527023523.db2.gz JMUJULRAFKOAQT-OAHLLOKOSA-N 0 0 314.433 3.087 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000184097675 527029229 /nfs/dbraw/zinc/02/92/29/527029229.db2.gz VKBAWJZTTRUQGZ-SNVBAGLBSA-N 0 0 318.402 3.300 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H]2C[C@H](OCC)C2(C)C)CCOCC1 ZINC000424679974 527038319 /nfs/dbraw/zinc/03/83/19/527038319.db2.gz JXSKKZKLRKLMLB-CABCVRRESA-N 0 0 309.450 3.021 10 30 DGEERN C=CCC1(C(=O)N(C)CCOc2ccccc2C)CCOCC1 ZINC000424575005 527039272 /nfs/dbraw/zinc/03/92/72/527039272.db2.gz ZJLNPSFSKCCYOR-UHFFFAOYSA-N 0 0 317.429 3.205 10 30 DGEERN C=CCC1(C(=O)N2CCc3c(F)cc(F)cc3C2)CCOCC1 ZINC000424731491 527049084 /nfs/dbraw/zinc/04/90/84/527049084.db2.gz GBJJUYXVGNZLOR-UHFFFAOYSA-N 0 0 321.367 3.222 10 30 DGEERN C=CCC1(C(=O)NCC(C)(C)c2ccccc2)CCOCC1 ZINC000424588984 527051892 /nfs/dbraw/zinc/05/18/92/527051892.db2.gz YHWRCJZARUXHRI-UHFFFAOYSA-N 0 0 301.430 3.453 10 30 DGEERN C=CCC1(C(=O)NCCc2cc(C)cc(C)c2)CCOCC1 ZINC000424687941 527053692 /nfs/dbraw/zinc/05/36/92/527053692.db2.gz RGZASCOCVKKOAH-UHFFFAOYSA-N 0 0 301.430 3.335 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CCOCC1 ZINC000424697200 527053902 /nfs/dbraw/zinc/05/39/02/527053902.db2.gz SNHQDRWDUMTIOA-MRXNPFEDSA-N 0 0 317.429 3.251 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CCOCC1 ZINC000424622033 527058393 /nfs/dbraw/zinc/05/83/93/527058393.db2.gz XLYWGPMERBWSLW-HZPDHXFCSA-N 0 0 303.377 3.171 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CCOCC1 ZINC000424622027 527059176 /nfs/dbraw/zinc/05/91/76/527059176.db2.gz XLYWGPMERBWSLW-CVEARBPZSA-N 0 0 303.377 3.171 10 30 DGEERN C=CCC1(C(=O)Nc2cnc(C(C)(C)C)nc2)CCOCC1 ZINC000424623764 527062674 /nfs/dbraw/zinc/06/26/74/527062674.db2.gz QTKWOXWCFWWWFJ-UHFFFAOYSA-N 0 0 303.406 3.086 10 30 DGEERN CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2C)c1C ZINC000160776731 527070145 /nfs/dbraw/zinc/07/01/45/527070145.db2.gz NZIZVPZHOCPWEL-UHFFFAOYSA-N 0 0 307.353 3.386 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000183733831 527094690 /nfs/dbraw/zinc/09/46/90/527094690.db2.gz DOXZXQFSEDIWAL-SWLSCSKDSA-N 0 0 312.360 3.042 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000337080911 527097008 /nfs/dbraw/zinc/09/70/08/527097008.db2.gz VWROEUFCDFNTIC-GOEBONIOSA-N 0 0 305.418 3.021 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000441957807 527097063 /nfs/dbraw/zinc/09/70/63/527097063.db2.gz VAMZAZZOYBANHB-NEPJUHHUSA-N 0 0 323.462 3.107 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000337039846 527098731 /nfs/dbraw/zinc/09/87/31/527098731.db2.gz LRLHVDTUSXHZQT-AWEZNQCLSA-N 0 0 304.777 3.002 10 30 DGEERN C=CCCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000183266749 527104935 /nfs/dbraw/zinc/10/49/35/527104935.db2.gz GQYZSGSCPICNNV-KKUMJFAQSA-N 0 0 322.449 3.104 10 30 DGEERN C=CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000178584760 527105337 /nfs/dbraw/zinc/10/53/37/527105337.db2.gz AHDCAXGJDLJDQL-IRXDYDNUSA-N 0 0 315.413 3.148 10 30 DGEERN C=CC[C@H](C(=O)NCc1nnc(C2CCC2)n1C)c1ccccc1 ZINC000187959236 527122621 /nfs/dbraw/zinc/12/26/21/527122621.db2.gz NZTIDPQOCUGSRF-INIZCTEOSA-N 0 0 324.428 3.059 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129210436 527128140 /nfs/dbraw/zinc/12/81/40/527128140.db2.gz LITXKSUITRKBRS-XJKSGUPXSA-N 0 0 306.381 3.182 10 30 DGEERN C#CCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000187175677 527135897 /nfs/dbraw/zinc/13/58/97/527135897.db2.gz QDUYDNSRFYOAHG-UGSOOPFHSA-N 0 0 307.349 3.202 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000116860166 527135887 /nfs/dbraw/zinc/13/58/87/527135887.db2.gz KKGUOXSRSBTZMZ-WFASDCNBSA-N 0 0 322.836 3.175 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000356876389 527157932 /nfs/dbraw/zinc/15/79/32/527157932.db2.gz RHLMSSOYCPOUAJ-ZFWWWQNUSA-N 0 0 315.421 3.080 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000341660016 527159148 /nfs/dbraw/zinc/15/91/48/527159148.db2.gz YOXXMEXFCBOALQ-WMZOPIPTSA-N 0 0 317.429 3.394 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCSCC[C@@H]1C ZINC000287471497 527160812 /nfs/dbraw/zinc/16/08/12/527160812.db2.gz RUGTUQIIKVVGFB-RDJZCZTQSA-N 0 0 316.470 3.158 10 30 DGEERN C=CCCCCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000337641296 527165554 /nfs/dbraw/zinc/16/55/54/527165554.db2.gz UQWWYHOXNZKJOL-UHFFFAOYSA-N 0 0 322.206 3.412 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000130569247 527180136 /nfs/dbraw/zinc/18/01/36/527180136.db2.gz STZBKXAFVGMRJD-UHFFFAOYSA-N 0 0 318.417 3.085 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2occ(C)c2c1 ZINC000184468095 527180744 /nfs/dbraw/zinc/18/07/44/527180744.db2.gz IRIYWZZXFPSHHE-UHFFFAOYSA-N 0 0 300.358 3.104 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccnc(O[C@H](C)CC)c1 ZINC000180657472 527184718 /nfs/dbraw/zinc/18/47/18/527184718.db2.gz FBQQYEBIUSZZEQ-CQSZACIVSA-N 0 0 305.422 3.367 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000182759050 527185195 /nfs/dbraw/zinc/18/51/95/527185195.db2.gz VDMHXQDQVLAZSD-UHFFFAOYSA-N 0 0 312.417 3.195 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184681142 527185486 /nfs/dbraw/zinc/18/54/86/527185486.db2.gz AWEJRMVMZYMWGR-UHFFFAOYSA-N 0 0 310.401 3.251 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000366964035 527186435 /nfs/dbraw/zinc/18/64/35/527186435.db2.gz WXLKEAFIBDEBEB-INIZCTEOSA-N 0 0 315.417 3.092 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000134189487 527187659 /nfs/dbraw/zinc/18/76/59/527187659.db2.gz BOUOUTUAGBLYRK-CYBMUJFWSA-N 0 0 319.405 3.090 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H]2Cc3ccccc3O2)n1CC ZINC000338531624 527195158 /nfs/dbraw/zinc/19/51/58/527195158.db2.gz ZBZNMLATCXCEAH-INIZCTEOSA-N 0 0 312.417 3.377 10 30 DGEERN C=CCCCN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCCO1 ZINC000338995412 527195178 /nfs/dbraw/zinc/19/51/78/527195178.db2.gz HZTQWPWMWYQCJK-AWEZNQCLSA-N 0 0 306.454 3.157 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC000186357457 527200374 /nfs/dbraw/zinc/20/03/74/527200374.db2.gz IZNTYXASGOJIEA-GDBMZVCRSA-N 0 0 320.433 3.019 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000346340549 527201790 /nfs/dbraw/zinc/20/17/90/527201790.db2.gz TVQVSMWMRQAOMM-AEFFLSMTSA-N 0 0 316.445 3.424 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000185880477 527205646 /nfs/dbraw/zinc/20/56/46/527205646.db2.gz SLBNYUIZJZVVBC-UTUOFQBUSA-N 0 0 314.212 3.150 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000337039847 527207166 /nfs/dbraw/zinc/20/71/66/527207166.db2.gz LRLHVDTUSXHZQT-CQSZACIVSA-N 0 0 304.777 3.002 10 30 DGEERN C#C[C@@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000186009878 527221113 /nfs/dbraw/zinc/22/11/13/527221113.db2.gz DFAIASYOUATLBW-OLZOCXBDSA-N 0 0 305.447 3.177 10 30 DGEERN C=CCCCNC(=O)c1cccc(COC2CCOCC2)c1 ZINC000344463820 527230457 /nfs/dbraw/zinc/23/04/57/527230457.db2.gz OKEHDKDSTDYLPO-UHFFFAOYSA-N 0 0 303.402 3.078 10 30 DGEERN C=CCc1ccc(OCc2cnc(OC)nc2C)c(OC)c1 ZINC000337218843 527255372 /nfs/dbraw/zinc/25/53/72/527255372.db2.gz CFSZIPHCPVIJKA-UHFFFAOYSA-N 0 0 300.358 3.110 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccc(C)n1 ZINC000350740622 527279411 /nfs/dbraw/zinc/27/94/11/527279411.db2.gz FRHLAUBCRZUWNY-UHFFFAOYSA-N 0 0 309.373 3.064 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2ccccc2C1 ZINC000350729048 527281406 /nfs/dbraw/zinc/28/14/06/527281406.db2.gz IGEGDJMUGBMLAY-UHFFFAOYSA-N 0 0 306.369 3.287 10 30 DGEERN CC(=O)c1ccc(NC(=O)NCC2(CC#N)CC2)cc1Cl ZINC000432440526 527306856 /nfs/dbraw/zinc/30/68/56/527306856.db2.gz FTJWIJAJCMJRAW-UHFFFAOYSA-N 0 0 305.765 3.358 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C ZINC000351117089 527310690 /nfs/dbraw/zinc/31/06/90/527310690.db2.gz PECXUGSGAHTKMW-CYBMUJFWSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CCc2cccc(F)c2C1 ZINC000289578033 527315046 /nfs/dbraw/zinc/31/50/46/527315046.db2.gz HEVGWOSMHIUKQS-UHFFFAOYSA-N 0 0 312.392 3.118 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CC1CC1 ZINC000350668144 527320403 /nfs/dbraw/zinc/32/04/03/527320403.db2.gz SHZUZYJHRNTZCQ-UHFFFAOYSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(COCC)nnc1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000337824728 527324461 /nfs/dbraw/zinc/32/44/61/527324461.db2.gz VBWXECCLMGEBPC-PBHICJAKSA-N 0 0 304.438 3.017 10 30 DGEERN C=CCCOCCCCC(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000341336814 527331314 /nfs/dbraw/zinc/33/13/14/527331314.db2.gz ITWYELUULFZQID-KRWDZBQOSA-N 0 0 309.450 3.167 10 30 DGEERN C=CCCOCCNC(=O)N(C)Cc1cc(Cl)ccc1F ZINC000433922877 527346172 /nfs/dbraw/zinc/34/61/72/527346172.db2.gz XEVJKWMFIQVPKG-UHFFFAOYSA-N 0 0 314.788 3.213 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CC(C)C ZINC000337833946 527352627 /nfs/dbraw/zinc/35/26/27/527352627.db2.gz BDBVGLMXYHOUIC-INIZCTEOSA-N 0 0 312.417 3.233 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CCC1CC1 ZINC000337868172 527352821 /nfs/dbraw/zinc/35/28/21/527352821.db2.gz SBUXBJVCDXDFDR-KRWDZBQOSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C)C1 ZINC000337824911 527361137 /nfs/dbraw/zinc/36/11/37/527361137.db2.gz VCSJHGKOXBHILR-WMLDXEAASA-N 0 0 324.428 3.377 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174083264 527371238 /nfs/dbraw/zinc/37/12/38/527371238.db2.gz IVFMBQRRSBJZJU-AWEZNQCLSA-N 0 0 320.408 3.210 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416040695 527390858 /nfs/dbraw/zinc/39/08/58/527390858.db2.gz BZRRBNNIVRWDCH-CJNGLKHVSA-N 0 0 323.383 3.480 10 30 DGEERN C=CCCS(=O)(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000356706900 527406904 /nfs/dbraw/zinc/40/69/04/527406904.db2.gz UIFJIBNHOWYZDZ-OAHLLOKOSA-N 0 0 308.447 3.077 10 30 DGEERN C=CCCS(=O)(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000360603838 527412216 /nfs/dbraw/zinc/41/22/16/527412216.db2.gz GMLBRVBIABSRCO-UHFFFAOYSA-N 0 0 317.813 3.163 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000435123473 527417238 /nfs/dbraw/zinc/41/72/38/527417238.db2.gz HBLNBPQBVXSRFZ-SJORKVTESA-N 0 0 323.458 3.181 10 30 DGEERN C=CCC[C@@H](NC(=O)NCc1ncccc1O)c1ccccc1 ZINC000349642681 527440896 /nfs/dbraw/zinc/44/08/96/527440896.db2.gz CILCTYPNNOJCSP-OAHLLOKOSA-N 0 0 311.385 3.294 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000357156342 527454287 /nfs/dbraw/zinc/45/42/87/527454287.db2.gz ZFRDYNKULHXQPN-ZIAGYGMSSA-N 0 0 301.434 3.205 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000114568402 527455454 /nfs/dbraw/zinc/45/54/54/527455454.db2.gz VLOBXOFVHGHDNG-KRWDZBQOSA-N 0 0 322.412 3.387 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O ZINC000419950625 527459086 /nfs/dbraw/zinc/45/90/86/527459086.db2.gz MPRYCQFGAKAYDZ-INIZCTEOSA-N 0 0 311.385 3.171 10 30 DGEERN C=CCC[C@H](C(=O)NCC[C@H](C)[S@@](C)=O)c1ccccc1 ZINC000427767686 527463248 /nfs/dbraw/zinc/46/32/48/527463248.db2.gz CPYVFXWOESZZFB-WDUKFBBWSA-N 0 0 307.459 3.010 10 30 DGEERN C(#Cc1ccccc1)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000192047550 527464849 /nfs/dbraw/zinc/46/48/49/527464849.db2.gz KDUYHNFIHBIXOM-UHFFFAOYSA-N 0 0 307.397 3.358 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000425853382 527493743 /nfs/dbraw/zinc/49/37/43/527493743.db2.gz IWBJLEYMXYPJGM-VGWMRTNUSA-N 0 0 318.417 3.353 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC(=C)C)Cc1ccccc1 ZINC000425565404 527493969 /nfs/dbraw/zinc/49/39/69/527493969.db2.gz NXSSVXSWRZGSQJ-ROUUACIJSA-N 0 0 314.429 3.365 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000425871782 527494080 /nfs/dbraw/zinc/49/40/80/527494080.db2.gz IQISYRLPCLACFE-JYJNAYRXSA-N 0 0 306.450 3.188 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCCC ZINC000425627291 527495528 /nfs/dbraw/zinc/49/55/28/527495528.db2.gz UYFZZBHBMAHRCH-ZFWWWQNUSA-N 0 0 304.390 3.188 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCCC ZINC000425633648 527495899 /nfs/dbraw/zinc/49/58/99/527495899.db2.gz FUUYADHPVQWGFX-HOCLYGCPSA-N 0 0 318.417 3.496 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000131109329 527497865 /nfs/dbraw/zinc/49/78/65/527497865.db2.gz QZKUFGACQPTPHH-QGZVFWFLSA-N 0 0 301.390 3.178 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000356395589 527523691 /nfs/dbraw/zinc/52/36/91/527523691.db2.gz UUMPYYXOWDRGNP-INIZCTEOSA-N 0 0 303.337 3.094 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000188561606 527532336 /nfs/dbraw/zinc/53/23/36/527532336.db2.gz CAUMTMNPYBSPCP-KRWDZBQOSA-N 0 0 309.381 3.069 10 30 DGEERN C=CCN(C(=O)c1cccs1)c1nc(C(=O)OCC)cs1 ZINC000337072950 527550276 /nfs/dbraw/zinc/55/02/76/527550276.db2.gz XZOKKWVOODNRGA-UHFFFAOYSA-N 0 0 322.411 3.214 10 30 DGEERN C=CCN(C(=O)c1ccsc1)c1nc(C(=O)OCC)cs1 ZINC000337043112 527551231 /nfs/dbraw/zinc/55/12/31/527551231.db2.gz JTMDTKNCYFBROT-UHFFFAOYSA-N 0 0 322.411 3.214 10 30 DGEERN C=C[C@H](CC(=O)N[C@H](CO)c1ccsc1)c1ccccc1 ZINC000356253564 527578155 /nfs/dbraw/zinc/57/81/55/527578155.db2.gz LDOXJOSUZTUXBU-CZUORRHYSA-N 0 0 301.411 3.258 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)c(C)c1 ZINC000417623473 527579104 /nfs/dbraw/zinc/57/91/04/527579104.db2.gz JADWOUYDTSODEG-GFCCVEGCSA-N 0 0 312.207 3.267 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C#N)ccc1Cl ZINC000351583968 527587914 /nfs/dbraw/zinc/58/79/14/527587914.db2.gz RKKJQYIDNPEABY-UHFFFAOYSA-N 0 0 302.683 3.402 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000342429437 527588632 /nfs/dbraw/zinc/58/86/32/527588632.db2.gz PGQNRYPJYCNMQP-UHFFFAOYSA-N 0 0 309.291 3.063 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000353880390 527623579 /nfs/dbraw/zinc/62/35/79/527623579.db2.gz LHBKSKAHCIDYRT-UHFFFAOYSA-N 0 0 306.337 3.127 10 30 DGEERN CC(C)(C)C1CCC(C#N)(NC(=O)c2ccnc(C#N)c2)CC1 ZINC000193849234 527630572 /nfs/dbraw/zinc/63/05/72/527630572.db2.gz OORHWQQHIZITMC-UHFFFAOYSA-N 0 0 310.401 3.182 10 30 DGEERN C=CCN(CC=C)C(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000368636780 527642033 /nfs/dbraw/zinc/64/20/33/527642033.db2.gz WBJPQLZRRTZELS-ZDUSSCGKSA-N 0 0 306.431 3.160 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000292557621 527654377 /nfs/dbraw/zinc/65/43/77/527654377.db2.gz BLOWNTRKJKISIH-UHFFFAOYSA-N 0 0 321.764 3.060 10 30 DGEERN CC(C)CCN(CCC#N)Cc1nnc(-c2ccccc2)n1C ZINC000173543212 527715633 /nfs/dbraw/zinc/71/56/33/527715633.db2.gz ZJAQDRJINABHTC-UHFFFAOYSA-N 0 0 311.433 3.244 10 30 DGEERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000181104361 527826779 /nfs/dbraw/zinc/82/67/79/527826779.db2.gz CGNYCEMWAHADQC-IAGOWNOFSA-N 0 0 324.424 3.319 10 30 DGEERN CC1(C)[C@H](Nc2cnc(C#N)cn2)C[C@H]1OCc1ccccc1 ZINC000302421739 527878285 /nfs/dbraw/zinc/87/82/85/527878285.db2.gz OEWOADOVMFPWEM-HZPDHXFCSA-N 0 0 308.385 3.144 10 30 DGEERN CCO[C@H](CCNC(=O)NCC1CCC(C#N)CC1)C(C)C ZINC000440995972 528043459 /nfs/dbraw/zinc/04/34/59/528043459.db2.gz FOFGUVNDPKECDG-UYSNPLJNSA-N 0 0 309.454 3.067 10 30 DGEERN CC(C)CO[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181558215 528129446 /nfs/dbraw/zinc/12/94/46/528129446.db2.gz HJIMZPFTDIVUGS-QGZVFWFLSA-N 0 0 312.413 3.129 10 30 DGEERN CC(C)c1cccc(S(=O)(=O)N(CCC#N)CC2CC2)c1 ZINC000173115303 528186350 /nfs/dbraw/zinc/18/63/50/528186350.db2.gz BPBLQOMAIMGLTD-UHFFFAOYSA-N 0 0 306.431 3.124 10 30 DGEERN CC(C)C[C@@H](C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000184657305 528243271 /nfs/dbraw/zinc/24/32/71/528243271.db2.gz CBKBIWPLNCCPBN-SJLPKXTDSA-N 0 0 313.445 3.078 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000435182926 528400602 /nfs/dbraw/zinc/40/06/02/528400602.db2.gz UWEJXOAQAINDSL-UHFFFAOYSA-N 0 0 311.389 3.079 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000435087478 528400742 /nfs/dbraw/zinc/40/07/42/528400742.db2.gz QHIZIBBPTUHNSZ-UHFFFAOYSA-N 0 0 311.389 3.079 10 30 DGEERN CCOc1ccc(NC(=O)N2CCO[C@H](C3CC3)C2)cc1Cl ZINC000330126805 528483813 /nfs/dbraw/zinc/48/38/13/528483813.db2.gz IVQAJXXGLCCLAQ-HNNXBMFYSA-N 0 0 324.808 3.395 10 30 DGEERN CCC(CC)C(=O)N1CCC(Nc2ccc(C)c(C#N)n2)CC1 ZINC000302691310 528720086 /nfs/dbraw/zinc/72/00/86/528720086.db2.gz ZOJGZFNNZYAXEE-UHFFFAOYSA-N 0 0 314.433 3.101 10 30 DGEERN CC1(C)CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000128090032 528906472 /nfs/dbraw/zinc/90/64/72/528906472.db2.gz KQBGUNNIVNMXFH-UHFFFAOYSA-N 0 0 300.402 3.216 10 30 DGEERN CCC1(CC)[C@@H](NC(=O)NCC2CCC(C#N)CC2)C[C@@H]1OC ZINC000440997627 529092472 /nfs/dbraw/zinc/09/24/72/529092472.db2.gz GLEFLKAQUAAMMP-CKUJCDMFSA-N 0 0 321.465 3.209 10 30 DGEERN CN(CCC1CCCCC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488819225 536322625 /nfs/dbraw/zinc/32/26/25/536322625.db2.gz 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/nfs/dbraw/zinc/49/38/76/546493876.db2.gz ZHKMWLYVSLLFAC-QMMMGPOBSA-N 0 0 303.387 3.495 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2ccc(C)cc2C)c1 ZINC000730403860 574528750 /nfs/dbraw/zinc/52/87/50/574528750.db2.gz ZHCKPQFTELJHPJ-UHFFFAOYSA-N 0 0 324.376 3.438 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2cccc(C)c2)c1 ZINC000730403508 574528784 /nfs/dbraw/zinc/52/87/84/574528784.db2.gz NCRGDADAIRDHSJ-UHFFFAOYSA-N 0 0 310.349 3.129 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](C)OCC(C)C ZINC000730424159 574529273 /nfs/dbraw/zinc/52/92/73/574529273.db2.gz RFFPHDZZICECSR-GJZGRUSLSA-N 0 0 304.386 3.364 10 30 DGEERN C=CCCOCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000730422105 574529351 /nfs/dbraw/zinc/52/93/51/574529351.db2.gz UFBHPZXKXBPADZ-NSHDSACASA-N 0 0 304.346 3.204 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](C)OCC(C)C)cc1 ZINC000730426371 574529381 /nfs/dbraw/zinc/52/93/81/574529381.db2.gz VYBQNWMXTAQPLP-HUUCEWRRSA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1cccc(OC(=O)c2cccc3ncccc32)c1 ZINC000730497386 574530280 /nfs/dbraw/zinc/53/02/80/574530280.db2.gz GRKBSSYWDHGCJL-UHFFFAOYSA-N 0 0 303.317 3.466 10 30 DGEERN C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000730976794 574540604 /nfs/dbraw/zinc/54/06/04/574540604.db2.gz ZRKVAWBEXJIOLW-RBUKOAKNSA-N 0 0 321.376 3.449 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)CC/C=C/c1ccccc1 ZINC000738677119 574546396 /nfs/dbraw/zinc/54/63/96/574546396.db2.gz NMDNGKNMUZDXDO-XYOKQWHBSA-N 0 0 315.413 3.448 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)cn1 ZINC000731337606 574547400 /nfs/dbraw/zinc/54/74/00/574547400.db2.gz GRJCWNWJAGWDPT-UHFFFAOYSA-N 0 0 303.321 3.279 10 30 DGEERN C#Cc1cccc(NC(=S)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000741493145 574557813 /nfs/dbraw/zinc/55/78/13/574557813.db2.gz ROMUXSIQEMGIOC-YOEHRIQHSA-N 0 0 315.486 3.027 10 30 DGEERN C=C(Cl)COC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000732378310 574572856 /nfs/dbraw/zinc/57/28/56/574572856.db2.gz SSRRTALFPDOCJB-UHFFFAOYSA-N 0 0 315.554 3.235 10 30 DGEERN N#C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCN1C1CC1 ZINC000732668913 574578547 /nfs/dbraw/zinc/57/85/47/574578547.db2.gz SBSNWTJVAGHGCV-CQSZACIVSA-N 0 0 310.228 3.166 10 30 DGEERN CN(C)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)cc(Cl)n1 ZINC000733103498 574597655 /nfs/dbraw/zinc/59/76/55/574597655.db2.gz DSMCEAJMEXCLSY-UHFFFAOYSA-N 0 0 318.739 3.064 10 30 DGEERN C=C(C)CN(CC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000733187374 574605916 /nfs/dbraw/zinc/60/59/16/574605916.db2.gz QVZCGONDWNFYEP-CLFYSBASSA-N 0 0 304.346 3.183 10 30 DGEERN C#CCCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000733246171 574609762 /nfs/dbraw/zinc/60/97/62/574609762.db2.gz HQUNWCSQKDQFAL-UHFFFAOYSA-N 0 0 306.390 3.463 10 30 DGEERN C#CCCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000733246476 574609789 /nfs/dbraw/zinc/60/97/89/574609789.db2.gz JENXOESHFBROGM-UHFFFAOYSA-N 0 0 312.316 3.377 10 30 DGEERN C#CCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000733246069 574609823 /nfs/dbraw/zinc/60/98/23/574609823.db2.gz CMEHGIKETBERHG-UHFFFAOYSA-N 0 0 309.394 3.149 10 30 DGEERN C#CCCNC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000733247113 574610118 /nfs/dbraw/zinc/61/01/18/574610118.db2.gz KNLPOTMWPHOHOR-QGZVFWFLSA-N 0 0 315.319 3.224 10 30 DGEERN C#CCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000733248257 574610134 /nfs/dbraw/zinc/61/01/34/574610134.db2.gz SBICRKMCZVTZIW-UHFFFAOYSA-N 0 0 313.382 3.145 10 30 DGEERN C#CCCNC(=O)NCCSCc1cccc2ccccc21 ZINC000733343468 574616944 /nfs/dbraw/zinc/61/69/44/574616944.db2.gz NSOWRLOFCBOAMV-UHFFFAOYSA-N 0 0 312.438 3.396 10 30 DGEERN C#CCCNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000733627542 574632659 /nfs/dbraw/zinc/63/26/59/574632659.db2.gz BLFBZVTWJKNHIM-UHFFFAOYSA-N 0 0 305.809 3.475 10 30 DGEERN C#CCCNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000733641900 574633022 /nfs/dbraw/zinc/63/30/22/574633022.db2.gz QTSGVKKZSYBUBE-UHFFFAOYSA-N 0 0 312.344 3.441 10 30 DGEERN C=CCOc1ccc(CN=Nc2cc(Cl)nc(C)n2)cc1 ZINC000741766083 574633433 /nfs/dbraw/zinc/63/34/33/574633433.db2.gz NXISQSLKMMHXFG-UHFFFAOYSA-N 0 0 302.765 3.449 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)CCc2cscn2)cc1 ZINC000733698028 574634627 /nfs/dbraw/zinc/63/46/27/574634627.db2.gz QHUMSHCWBAZSLW-ZDUSSCGKSA-N 0 0 315.394 3.392 10 30 DGEERN C=C(CSc1ncc(-c2ccccc2)n1C)C(=O)OCC ZINC000733872083 574641164 /nfs/dbraw/zinc/64/11/64/574641164.db2.gz YYHXHNXMAKMBBZ-UHFFFAOYSA-N 0 0 302.399 3.299 10 30 DGEERN C#CC(C)(C)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000733976696 574645364 /nfs/dbraw/zinc/64/53/64/574645364.db2.gz RSDMHEPZNXBMAN-UHFFFAOYSA-N 0 0 305.175 3.072 10 30 DGEERN C=C(COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000734029353 574647559 /nfs/dbraw/zinc/64/75/59/574647559.db2.gz LUKQAKPZAJRNOT-QWRGUYRKSA-N 0 0 308.296 3.018 10 30 DGEERN C=C(COC(=O)c1cccc2c(C)c(C)[nH]c21)C(=O)OCC ZINC000734028127 574647577 /nfs/dbraw/zinc/64/75/77/574647577.db2.gz BNICDZSNHIHOPI-UHFFFAOYSA-N 0 0 301.342 3.061 10 30 DGEERN C=C(COC(=O)c1c(Cl)c2ccccc2n1C)C(=O)OCC ZINC000734026975 574647646 /nfs/dbraw/zinc/64/76/46/574647646.db2.gz MEUQHRXAXGZZIB-UHFFFAOYSA-N 0 0 321.760 3.108 10 30 DGEERN C=C(COC(=O)c1cc2c(cccc2F)s1)C(=O)OCC ZINC000734025075 574648401 /nfs/dbraw/zinc/64/84/01/574648401.db2.gz ZVVIHNBWRVFLPJ-UHFFFAOYSA-N 0 0 308.330 3.317 10 30 DGEERN C=C(COC(=O)c1c(Cl)cccc1Cl)C(=O)OCC ZINC000734024550 574648480 /nfs/dbraw/zinc/64/84/80/574648480.db2.gz MLDPWINWWPYAAX-UHFFFAOYSA-N 0 0 303.141 3.270 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@H](C)C1CCCC1 ZINC000734169842 574653010 /nfs/dbraw/zinc/65/30/10/574653010.db2.gz BAAZGGCWQRLQBM-CQSZACIVSA-N 0 0 300.402 3.077 10 30 DGEERN C=C(C)CN(CC)C(=O)CSC[C@@H]1OCCc2ccccc21 ZINC000734513076 574665776 /nfs/dbraw/zinc/66/57/76/574665776.db2.gz VETRNUYGGHQUNE-KRWDZBQOSA-N 0 0 319.470 3.458 10 30 DGEERN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000735308666 574696690 /nfs/dbraw/zinc/69/66/90/574696690.db2.gz OALCBXQWZLPCAZ-IUODEOHRSA-N 0 0 308.809 3.242 10 30 DGEERN C=C(Cl)COC(=O)[C@](C)(O)c1ccccc1C(F)(F)F ZINC000735950893 574722754 /nfs/dbraw/zinc/72/27/54/574722754.db2.gz GDDYUVFMOWBMTB-GFCCVEGCSA-N 0 0 308.683 3.209 10 30 DGEERN N#CC1(C(=O)OCc2ccc(Br)s2)CCC1 ZINC000736845982 574808613 /nfs/dbraw/zinc/80/86/13/574808613.db2.gz RUUSBUNDHGOWII-UHFFFAOYSA-N 0 0 300.177 3.248 10 30 DGEERN C=CCOc1ccc(C=NNCCc2ccc(OC)cc2)cc1 ZINC000737440128 574843985 /nfs/dbraw/zinc/84/39/85/574843985.db2.gz DFYSSBBUKXONCS-UHFFFAOYSA-N 0 0 310.397 3.426 10 30 DGEERN COc1ccc(-c2nc(CN(CCC#N)CC(C)C)no2)cc1 ZINC000739913520 574915505 /nfs/dbraw/zinc/91/55/05/574915505.db2.gz KORVBSGZJMTVGM-UHFFFAOYSA-N 0 0 314.389 3.117 10 30 DGEERN C=CC[C@@H](NC(=O)NC[C@](C)(O)CCC(C)C)c1ccncc1 ZINC000741089101 574951029 /nfs/dbraw/zinc/95/10/29/574951029.db2.gz KYOQZNYMGGYOAM-SJLPKXTDSA-N 0 0 319.449 3.185 10 30 DGEERN C#CCOc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1 ZINC000741537678 574961836 /nfs/dbraw/zinc/96/18/36/574961836.db2.gz WZBAKLOOUHVDBK-UHFFFAOYSA-N 0 0 313.303 3.180 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)n1cccc1 ZINC000741639526 574965240 /nfs/dbraw/zinc/96/52/40/574965240.db2.gz CEOQXBALGOYPAG-CYBMUJFWSA-N 0 0 300.333 3.229 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)c1ccc(C)nc1Cl ZINC000741644877 574965501 /nfs/dbraw/zinc/96/55/01/574965501.db2.gz BUXXEXQSYFZCHS-UHFFFAOYSA-N 0 0 318.735 3.447 10 30 DGEERN C#Cc1ccc(C(=O)OCc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000729030376 575210710 /nfs/dbraw/zinc/21/07/10/575210710.db2.gz RZLHIMBJWOQGAI-UHFFFAOYSA-N 0 0 322.295 3.214 10 30 DGEERN N#Cc1ccc(CNC(=S)Nc2ccccc2F)c(F)c1 ZINC000729822259 575264233 /nfs/dbraw/zinc/26/42/33/575264233.db2.gz PCAIKQAYXVQYTI-UHFFFAOYSA-N 0 0 303.337 3.323 10 30 DGEERN C[C@@H](NC(=S)NCc1ccc(C#N)cc1F)c1cccs1 ZINC000729822416 575264250 /nfs/dbraw/zinc/26/42/50/575264250.db2.gz VCPFSUWPAGZSRJ-SNVBAGLBSA-N 0 0 319.430 3.484 10 30 DGEERN C#CCSCCNC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000740039816 576079311 /nfs/dbraw/zinc/07/93/11/576079311.db2.gz UWBVYQAMDLUEAZ-SJORKVTESA-N 0 0 316.470 3.378 10 30 DGEERN Cc1ccc(N=NC(C)c2ccc(N3CCOC3=O)cc2)nc1 ZINC000727259365 576116380 /nfs/dbraw/zinc/11/63/80/576116380.db2.gz FBAKWYQKCGZTLB-UHFFFAOYSA-N 0 0 310.357 3.183 10 30 DGEERN Brc1ccc(N=NCc2ccc3c(c2)CCO3)nc1 ZINC000727263127 576116737 /nfs/dbraw/zinc/11/67/37/576116737.db2.gz OCAZQCMRQQCSAL-UHFFFAOYSA-N 0 0 318.174 3.225 10 30 DGEERN C=CCCOCC(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000728495222 576185019 /nfs/dbraw/zinc/18/50/19/576185019.db2.gz WQQZENHDXNYKKC-UHFFFAOYSA-N 0 0 312.369 3.192 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)nc1 ZINC000728811192 576208142 /nfs/dbraw/zinc/20/81/42/576208142.db2.gz RXWBYBQEDZDKOL-IBGZPJMESA-N 0 0 320.392 3.221 10 30 DGEERN C=CC1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 ZINC000111166233 620678286 /nfs/dbraw/zinc/67/82/86/620678286.db2.gz XNJOWWAAUNRCAD-UHFFFAOYSA-N 0 0 300.431 3.463 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)CCC(=O)c1ccc(F)cc1F ZINC000154664866 620701711 /nfs/dbraw/zinc/70/17/11/620701711.db2.gz ZAFXTDORIBNGJQ-AWEZNQCLSA-N 0 0 309.312 3.409 10 30 DGEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)Cc1cccc(CC)c1 ZINC000152183221 620496082 /nfs/dbraw/zinc/49/60/82/620496082.db2.gz UDUOOIJKVBSDPP-KRWDZBQOSA-N 0 0 314.429 3.197 10 30 DGEERN C#C[C@@H](OC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000152704199 620518279 /nfs/dbraw/zinc/51/82/79/620518279.db2.gz MBJYDLWECVSQBB-OAHLLOKOSA-N 0 0 308.337 3.183 10 30 DGEERN C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000153243689 620543303 /nfs/dbraw/zinc/54/33/03/620543303.db2.gz IJYFDMFGMIDNKR-JKIFEVAISA-N 0 0 301.386 3.499 10 30 DGEERN CCC1(COC(=O)CCCCOc2cccc(C#N)c2)COC1 ZINC000119008856 621607599 /nfs/dbraw/zinc/60/75/99/621607599.db2.gz PMBBQRODXQOVDG-UHFFFAOYSA-N 0 0 317.385 3.077 10 30 DGEERN C#CCN(C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)C1CCCC1 ZINC000119100519 621619741 /nfs/dbraw/zinc/61/97/41/621619741.db2.gz CKVOXYOGXNYHGH-SJORKVTESA-N 0 0 300.377 3.269 10 30 DGEERN C#CCCCCC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000119922281 621754036 /nfs/dbraw/zinc/75/40/36/621754036.db2.gz ZKOXHCFVTFUFST-ZDUSSCGKSA-N 0 0 308.447 3.393 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000120714826 621982792 /nfs/dbraw/zinc/98/27/92/621982792.db2.gz UMMSICBTDISFAK-CHWSQXEVSA-N 0 0 304.365 3.490 10 30 DGEERN C#CCN(C(=O)NCc1ccc(Cl)cc1OC)C1CCCC1 ZINC000120801960 622021871 /nfs/dbraw/zinc/02/18/71/622021871.db2.gz GUUTYASTMRWGMZ-UHFFFAOYSA-N 0 0 320.820 3.436 10 30 DGEERN N#CCOc1cc(F)ccc1NC(=O)NCCC1=CCCC1 ZINC000120983419 622078137 /nfs/dbraw/zinc/07/81/37/622078137.db2.gz DSEHXFMUZAUGKV-UHFFFAOYSA-N 0 0 303.337 3.350 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1Cl ZINC000129252516 625570303 /nfs/dbraw/zinc/57/03/03/625570303.db2.gz OIPZLSZSOVQFAA-UHFFFAOYSA-N 0 0 309.760 3.222 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)c1ccc(C#N)cc1C ZINC000129385733 625605109 /nfs/dbraw/zinc/60/51/09/625605109.db2.gz KGIDLHANYWASAM-UHFFFAOYSA-N 0 0 306.321 3.356 10 30 DGEERN COc1ccc(CNc2cc([N+](=O)[O-])ccc2F)cc1C#N ZINC000124965961 623264192 /nfs/dbraw/zinc/26/41/92/623264192.db2.gz ZKJBSRZBTGZZGE-UHFFFAOYSA-N 0 0 301.277 3.226 10 30 DGEERN C#C[C@H](C)OC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000125309977 623421293 /nfs/dbraw/zinc/42/12/93/623421293.db2.gz ALDKKWONQQQJOH-SOUVJXGZSA-N 0 0 323.433 3.225 10 30 DGEERN COCCCOc1cccc(C(=O)O[C@H](C)C(C)(C)C#N)c1 ZINC000130404554 625847245 /nfs/dbraw/zinc/84/72/45/625847245.db2.gz DYIHRNZNHYQGMT-CYBMUJFWSA-N 0 0 305.374 3.197 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000130945360 625920634 /nfs/dbraw/zinc/92/06/34/625920634.db2.gz GXCHFAPCVOEGKN-UHFFFAOYSA-N 0 0 310.309 3.174 10 30 DGEERN COC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000103640358 626395100 /nfs/dbraw/zinc/39/51/00/626395100.db2.gz RSRDMXVBQPHCMP-PSASIEDQSA-N 0 0 308.790 3.408 10 30 DGEERN C#CC[C@H](OC(=O)c1cnn(CCCC)c1C)c1ccccn1 ZINC000131830376 626682732 /nfs/dbraw/zinc/68/27/32/626682732.db2.gz CRISGTPZNRSBDV-KRWDZBQOSA-N 0 0 311.385 3.308 10 30 DGEERN C#C[C@@H](OC(=O)CCc1c(C)nn(CC(C)C)c1C)C1CC1 ZINC000134003536 626850133 /nfs/dbraw/zinc/85/01/33/626850133.db2.gz FFHXAUGODXNGBK-QGZVFWFLSA-N 0 0 302.418 3.044 10 30 DGEERN CCOc1cccc(/C=C2/COc3cc4c(cc3C2=O)OCO4)c1 ZINC000214910125 626864342 /nfs/dbraw/zinc/86/43/42/626864342.db2.gz MFJKQGHGGVXLKJ-MLPAPPSSSA-N 0 0 324.332 3.473 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1ccc(Br)c(F)c1 ZINC000121471881 630176715 /nfs/dbraw/zinc/17/67/15/630176715.db2.gz GRTNOPAODIIMQI-LLVKDONJSA-N 0 0 300.127 3.293 10 30 DGEERN C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000121550353 630693603 /nfs/dbraw/zinc/69/36/03/630693603.db2.gz LFIPHZHLVFKZGM-SRCQZFHVSA-N 0 0 322.364 3.055 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCc1ccc(OC)cc1 ZINC000107192518 631560260 /nfs/dbraw/zinc/56/02/60/631560260.db2.gz MDDICSQBDIAYFX-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000108516612 631903638 /nfs/dbraw/zinc/90/36/38/631903638.db2.gz BKZTZNLAPNSJEZ-MSOLQXFVSA-N 0 0 306.365 3.376 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000108842818 631960166 /nfs/dbraw/zinc/96/01/66/631960166.db2.gz NVLWSSSRMCCKDH-NSHDSACASA-N 0 0 300.305 3.330 10 30 DGEERN CC(C)(CC#N)COC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000184764818 660186168 /nfs/dbraw/zinc/18/61/68/660186168.db2.gz IBKTZBXQRGCFGR-UHFFFAOYSA-N 0 0 316.279 3.119 10 30 DGEERN CC(C)(CC#N)COC(=O)CCc1nnc(C2CCCC2)o1 ZINC000184771980 660186086 /nfs/dbraw/zinc/18/60/86/660186086.db2.gz SUCBNOOQYAJUSP-UHFFFAOYSA-N 0 0 305.378 3.143 10 30 DGEERN CC(C)(CC#N)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000184770859 660186101 /nfs/dbraw/zinc/18/61/01/660186101.db2.gz LDZHEXNANRGLSE-MRXNPFEDSA-N 0 0 317.385 3.341 10 30 DGEERN COc1cc(CCC(=O)OCC(C)(C)CC#N)cc(OC)c1 ZINC000184779237 660186609 /nfs/dbraw/zinc/18/66/09/660186609.db2.gz SAOXTJLAKSCZCS-UHFFFAOYSA-N 0 0 305.374 3.119 10 30 DGEERN COCCCOc1cccc(C(=O)OCC(C)(C)CC#N)c1 ZINC000184782656 660186663 /nfs/dbraw/zinc/18/66/63/660186663.db2.gz JFBGLHGKZNAIME-UHFFFAOYSA-N 0 0 305.374 3.199 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)OCC(C)(C)CC#N ZINC000184794747 660187664 /nfs/dbraw/zinc/18/76/64/660187664.db2.gz IHEVHWRWWASKDG-UHFFFAOYSA-N 0 0 305.422 3.182 10 30 DGEERN COc1cccc(C(=O)OCC(C)(C)CC#N)c1OC(F)F ZINC000184816559 660188703 /nfs/dbraw/zinc/18/87/03/660188703.db2.gz SFFKQOLDHWMCPY-UHFFFAOYSA-N 0 0 313.300 3.393 10 30 DGEERN CC#CCCCC(=O)OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000186299264 660364596 /nfs/dbraw/zinc/36/45/96/660364596.db2.gz OGEFSJHEEMIELL-HNNXBMFYSA-N 0 0 323.433 3.370 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)C1CC1 ZINC000079204745 660490840 /nfs/dbraw/zinc/49/08/40/660490840.db2.gz JCWGUESMCXHOJX-MRXNPFEDSA-N 0 0 306.308 3.273 10 30 DGEERN Cc1ccc(/C=C/C(=O)N[C@@H](C#N)C(C)C)c(Br)c1 ZINC000701310825 660662848 /nfs/dbraw/zinc/66/28/48/660662848.db2.gz NHYHELHVWLUCQR-UZYOAWRESA-N 0 0 321.218 3.435 10 30 DGEERN C#C[C@@H](NC(=O)/C=C/c1ccc(Br)o1)C(C)(C)C ZINC000702225319 660716931 /nfs/dbraw/zinc/71/69/31/660716931.db2.gz WVVRNAHAIFVRPC-MXMFLMJRSA-N 0 0 310.191 3.219 10 30 DGEERN CC1(C)C[C@H](Sc2ncc(Br)cc2C#N)CO1 ZINC000703059104 660761247 /nfs/dbraw/zinc/76/12/47/660761247.db2.gz QPWAHYMJCSFDEC-JTQLQIEISA-N 0 0 313.220 3.375 10 30 DGEERN Cc1ccc(/C=C/C(=O)NCC(C)(C)C#N)c(Br)c1 ZINC000706369003 660854069 /nfs/dbraw/zinc/85/40/69/660854069.db2.gz GITIVSKKUDHNTK-VOTSOKGWSA-N 0 0 321.218 3.437 10 30 DGEERN C[C@]1(C(F)(F)F)CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000709155140 660924031 /nfs/dbraw/zinc/92/40/31/660924031.db2.gz BCMNYDGVOQKRPM-JTQLQIEISA-N 0 0 302.193 3.417 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000709575012 660929488 /nfs/dbraw/zinc/92/94/88/660929488.db2.gz NXTBKRZIOUKCSG-SNVBAGLBSA-N 0 0 310.166 3.074 10 30 DGEERN Cc1cc(C#N)cc(NCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000710910141 660936647 /nfs/dbraw/zinc/93/66/47/660936647.db2.gz CABPMKUKUKUDSN-UHFFFAOYSA-N 0 0 301.390 3.146 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2ccc(F)cc2C#N)C1 ZINC000711454373 660954093 /nfs/dbraw/zinc/95/40/93/660954093.db2.gz CNGVCAWZWAYCKX-UHFFFAOYSA-N 0 0 319.380 3.413 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000175721109 655532267 /nfs/dbraw/zinc/53/22/67/655532267.db2.gz YUJQIPJRTUNQIP-ZIAGYGMSSA-N 0 0 306.192 3.192 10 30 DGEERN O=[N+]([O-])c1ccc(C=NOCc2cc(F)cc3cccnc32)o1 ZINC000254941970 655547007 /nfs/dbraw/zinc/54/70/07/655547007.db2.gz IAUHTSTWCDPUCJ-UHFFFAOYSA-N 0 0 315.260 3.426 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(N2CCCC2)nc1 ZINC000187556161 655550940 /nfs/dbraw/zinc/55/09/40/655550940.db2.gz UAVRUQXGXKOJKL-GOSISDBHSA-N 0 0 318.417 3.067 10 30 DGEERN C=C[C@H](C)OC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000187564705 655551637 /nfs/dbraw/zinc/55/16/37/655551637.db2.gz DWLNZJXDVHMZLR-LBPRGKRZSA-N 0 0 316.357 3.186 10 30 DGEERN C[C@@H](ON=Cc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000254986309 655554324 /nfs/dbraw/zinc/55/43/24/655554324.db2.gz KTSVGUIAELOKLT-UONOGXRCSA-N 0 0 314.360 3.442 10 30 DGEERN CC(C)c1ccc(C=NOCc2nsc(N(C)C)n2)cc1 ZINC000255066219 655589434 /nfs/dbraw/zinc/58/94/34/655589434.db2.gz GRWOYUYSXNXWOJ-UHFFFAOYSA-N 0 0 304.419 3.278 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)NCCCc1cccc(F)c1 ZINC000255074518 655592235 /nfs/dbraw/zinc/59/22/35/655592235.db2.gz OFESONLUCTVQTR-KHPPLWFESA-N 0 0 308.356 3.460 10 30 DGEERN COC(=O)c1cc(F)ccc1CON=Cc1ccc(C)cc1 ZINC000255110701 655600478 /nfs/dbraw/zinc/60/04/78/655600478.db2.gz ZHZOAVCXSCSQHY-UHFFFAOYSA-N 0 0 301.317 3.471 10 30 DGEERN CON=Cc1ccc(C(=O)O[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000255112638 655600641 /nfs/dbraw/zinc/60/06/41/655600641.db2.gz CBAFWKSKMNKEEF-GFCCVEGCSA-N 0 0 323.352 3.461 10 30 DGEERN C=CC[C@@]1(C(=O)N2CCC[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000188482383 655602358 /nfs/dbraw/zinc/60/23/58/655602358.db2.gz RHNDMOCBTOTBQC-KDOFPFPSSA-N 0 0 322.449 3.343 10 30 DGEERN CCCCCCCCCNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000121130905 655614418 /nfs/dbraw/zinc/61/44/18/655614418.db2.gz MIJXWCFZGWZKPC-INIZCTEOSA-N 0 0 311.470 3.047 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)/C=C\c1ccccc1C#N ZINC000255278362 655680905 /nfs/dbraw/zinc/68/09/05/655680905.db2.gz GVPSZPLHNYSNJP-LENZSSGSSA-N 0 0 312.413 3.379 10 30 DGEERN Cc1nc(NC(=O)/C=C\c2ccccc2C#N)cc(C2CC2)n1 ZINC000255289391 655687185 /nfs/dbraw/zinc/68/71/85/655687185.db2.gz BUJMGZUGNAIWAF-HJWRWDBZSA-N 0 0 304.353 3.186 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000157277342 655699786 /nfs/dbraw/zinc/69/97/86/655699786.db2.gz NBIVDQVQMHHTFS-UHFFFAOYSA-N 0 0 320.396 3.459 10 30 DGEERN CC(=NOCc1ncc(-c2cccc(F)c2)o1)c1cnn(C)c1 ZINC000255370008 655719838 /nfs/dbraw/zinc/71/98/38/655719838.db2.gz QJZKAVWIRLLXHV-UHFFFAOYSA-N 0 0 314.320 3.155 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000176015935 655731729 /nfs/dbraw/zinc/73/17/29/655731729.db2.gz HZWZHNLJBRRJJS-LSDHHAIUSA-N 0 0 302.370 3.300 10 30 DGEERN CCOCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000176100017 655734168 /nfs/dbraw/zinc/73/41/68/655734168.db2.gz DXLMLRVEMIBIAD-SNVBAGLBSA-N 0 0 307.300 3.034 10 30 DGEERN C#CCN(C(=O)NCc1ccc(SC)cc1)C1CCCC1 ZINC000176278506 655747948 /nfs/dbraw/zinc/74/79/48/655747948.db2.gz FQLAPLMUEMHFMU-UHFFFAOYSA-N 0 0 302.443 3.496 10 30 DGEERN Cc1ccc(C#N)cc1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255477625 655760567 /nfs/dbraw/zinc/76/05/67/655760567.db2.gz SWWVGUQHWOQYFU-HJWRWDBZSA-N 0 0 316.357 3.418 10 30 DGEERN COc1cccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)c1 ZINC000255517991 655784466 /nfs/dbraw/zinc/78/44/66/655784466.db2.gz GOXNZKLSKLNPCA-SREVYHEPSA-N 0 0 303.321 3.111 10 30 DGEERN CC[C@@](C)(C#N)C(=O)NCCc1sccc1Br ZINC000713029066 661189900 /nfs/dbraw/zinc/18/99/00/661189900.db2.gz SBIOYMHQIWEISJ-LBPRGKRZSA-N 0 0 315.236 3.109 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1cc2cnccc2cc1OC ZINC000187626673 655821811 /nfs/dbraw/zinc/82/18/11/655821811.db2.gz VPMYFOMTOGYUOC-GOSISDBHSA-N 0 0 315.369 3.378 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1cc(Cl)ccc1C(=O)OC ZINC000065649089 655847558 /nfs/dbraw/zinc/84/75/58/655847558.db2.gz OFLWOKYCAJNPBH-SNVBAGLBSA-N 0 0 312.749 3.013 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(C[S@](C)=O)c1)C(C)(C)C ZINC000159889313 655853216 /nfs/dbraw/zinc/85/32/16/655853216.db2.gz IRNZJWQKUAFSJZ-QVKFZJNVSA-N 0 0 306.427 3.160 10 30 DGEERN N#Cc1ccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)s1 ZINC000255596348 655854069 /nfs/dbraw/zinc/85/40/69/655854069.db2.gz AKXSFYUBDBUYNM-RQOWECAXSA-N 0 0 304.334 3.035 10 30 DGEERN N#C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000177019484 655886188 /nfs/dbraw/zinc/88/61/88/655886188.db2.gz CXWRWFCKWNSODY-RDBSUJKOSA-N 0 0 320.186 3.398 10 30 DGEERN N#Cc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)c(F)c1 ZINC000255716753 655890922 /nfs/dbraw/zinc/89/09/22/655890922.db2.gz RIEAEQZLKLYVAH-FPLPWBNLSA-N 0 0 320.320 3.249 10 30 DGEERN Cc1cnc(CCN(C)C(=O)/C=C\c2ccccc2C#N)s1 ZINC000255715169 655891562 /nfs/dbraw/zinc/89/15/62/655891562.db2.gz BYNFEJZCDQTHMO-FPLPWBNLSA-N 0 0 311.410 3.038 10 30 DGEERN CC(C)(C)NC(=O)CON=Cc1cccc(Cl)c1Cl ZINC000255729822 655892394 /nfs/dbraw/zinc/89/23/94/655892394.db2.gz JKDDXVDBWITIFK-UHFFFAOYSA-N 0 0 303.189 3.259 10 30 DGEERN C=CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccco1 ZINC000096478971 655906137 /nfs/dbraw/zinc/90/61/37/655906137.db2.gz XPUWHUGRVHIVBN-FAIWILQLSA-N 0 0 323.348 3.336 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)NCCc1cc(F)ccc1F ZINC000255849820 655915198 /nfs/dbraw/zinc/91/51/98/655915198.db2.gz ZIXCRGMARDKGEP-YVMONPNESA-N 0 0 312.319 3.209 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nc(-c2cccs2)no1)C(C)C ZINC000177719963 655943301 /nfs/dbraw/zinc/94/33/01/655943301.db2.gz DUMRSMCVPQGFDP-LBPRGKRZSA-N 0 0 318.398 3.322 10 30 DGEERN C#CC[C@@H](OC(=O)COc1ccc(CCC(C)=O)cc1)C(C)C ZINC000177741169 655944382 /nfs/dbraw/zinc/94/43/82/655944382.db2.gz AUHWILQSOYEYBJ-GOSISDBHSA-N 0 0 316.397 3.178 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3ccc(Cl)nc3)n2c1 ZINC000255883696 655947975 /nfs/dbraw/zinc/94/79/75/655947975.db2.gz VRBSTAILUARHOP-ARJAWSKDSA-N 0 0 308.728 3.150 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nc(C2CCCC2)no1)C(C)C ZINC000178037381 655952887 /nfs/dbraw/zinc/95/28/87/655952887.db2.gz ADDSQGSMACHBCJ-CQSZACIVSA-N 0 0 304.390 3.251 10 30 DGEERN Cc1c(C(=O)/C=C\c2cccnc2C)cnn1-c1ccccn1 ZINC000255903657 655963668 /nfs/dbraw/zinc/96/36/68/655963668.db2.gz TTWBSYQVAZPRIM-HJWRWDBZSA-N 0 0 304.353 3.175 10 30 DGEERN C#CCCCNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000178321874 656052031 /nfs/dbraw/zinc/05/20/31/656052031.db2.gz AOQNNNWLNYBFDL-LBPRGKRZSA-N 0 0 308.219 3.472 10 30 DGEERN C#CC[C@H](COC)Nc1nc2cc(Br)ccc2o1 ZINC000716395803 661223030 /nfs/dbraw/zinc/22/30/30/661223030.db2.gz RPSNLGUDWWGMGI-SNVBAGLBSA-N 0 0 309.163 3.041 10 30 DGEERN O=C(Nc1scnc1C1CC1)N[C@@H]1COc2ccccc21 ZINC000328910889 656082947 /nfs/dbraw/zinc/08/29/47/656082947.db2.gz FXMDOAZGRDEVCQ-LLVKDONJSA-N 0 0 301.371 3.480 10 30 DGEERN COC(=O)c1cccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182356937 656105402 /nfs/dbraw/zinc/10/54/02/656105402.db2.gz SPIZSCOYANWAQM-UHFFFAOYSA-N 0 0 321.332 3.248 10 30 DGEERN C[C@H](Cc1ccc(Br)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000162410068 656143011 /nfs/dbraw/zinc/14/30/11/656143011.db2.gz KUKDMWOZZYQOSW-YGRLFVJLSA-N 0 0 322.202 3.473 10 30 DGEERN CC(C)CC(=O)N[C@H](C(=O)OCC(C)(C)CCC#N)C(C)C ZINC000195068569 656208523 /nfs/dbraw/zinc/20/85/23/656208523.db2.gz WJKKBKIZBHBANL-HNNXBMFYSA-N 0 0 310.438 3.046 10 30 DGEERN Cc1nn(C(F)F)c(C)c1CC(=O)OCC(C)(C)CCC#N ZINC000195071326 656208898 /nfs/dbraw/zinc/20/88/98/656208898.db2.gz PCOHMPFDXVSJQR-UHFFFAOYSA-N 0 0 313.348 3.311 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCCC2)c(C)n1-c1ccccn1 ZINC000124804689 656254489 /nfs/dbraw/zinc/25/44/89/656254489.db2.gz YLRNEQXBPDRKLH-UHFFFAOYSA-N 0 0 308.385 3.055 10 30 DGEERN CCCN(CCC)c1ccc(CN2CCO[C@H](C#N)C2)cc1 ZINC000093136132 656268380 /nfs/dbraw/zinc/26/83/80/656268380.db2.gz ROIXJTCEDHTSEB-GOSISDBHSA-N 0 0 301.434 3.037 10 30 DGEERN CC(=O)c1cccc(OC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000045885191 656304687 /nfs/dbraw/zinc/30/46/87/656304687.db2.gz OILMAJPQUUFFQP-ZDUSSCGKSA-N 0 0 309.321 3.134 10 30 DGEERN C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000248690100 656361469 /nfs/dbraw/zinc/36/14/69/656361469.db2.gz IJYFDMFGMIDNKR-CKEIUWERSA-N 0 0 301.386 3.499 10 30 DGEERN COc1ccc(O)c(/C=N/[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000074374599 661286527 /nfs/dbraw/zinc/28/65/27/661286527.db2.gz VVHCQOLUYPUQLO-NNIWKIFQSA-N 0 0 324.380 3.015 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000086031134 657051349 /nfs/dbraw/zinc/05/13/49/657051349.db2.gz FFPZLVWCIPZRBL-UHFFFAOYSA-N 0 0 313.744 3.388 10 30 DGEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 ZINC000158668938 657075636 /nfs/dbraw/zinc/07/56/36/657075636.db2.gz MDGWFZOZOGPJGW-OKZBNKHCSA-N 0 0 324.424 3.245 10 30 DGEERN C#CC[C@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(C)C ZINC000183023454 657375832 /nfs/dbraw/zinc/37/58/32/657375832.db2.gz QIXSJFCUANEODJ-HNNXBMFYSA-N 0 0 314.410 3.339 10 30 DGEERN C=C(Br)CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000049296852 657382637 /nfs/dbraw/zinc/38/26/37/657382637.db2.gz DOQGEDYVLZKSQC-KGLIPLIRSA-N 0 0 324.218 3.179 10 30 DGEERN C#CCCCCCOC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000185332197 657394721 /nfs/dbraw/zinc/39/47/21/657394721.db2.gz SDKNKHMSALGELY-ZRDIBKRKSA-N 0 0 302.370 3.454 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Oc2ccc(C#N)cc2)c1 ZINC000075482832 657477048 /nfs/dbraw/zinc/47/70/48/657477048.db2.gz QNKUICHVTQKBOE-PXAZEXFGSA-N 0 0 320.348 3.372 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccc(F)cc2)cc2c1OCO2 ZINC000096136844 657507720 /nfs/dbraw/zinc/50/77/20/657507720.db2.gz NFRNQATUQQMUPX-UQCOIBPSSA-N 0 0 300.285 3.459 10 30 DGEERN C=CCn1c(C)nnc1SC[C@@H](O)c1ccc(F)cc1C ZINC000304610228 657639488 /nfs/dbraw/zinc/63/94/88/657639488.db2.gz JMQXLTFAMFYBGC-CQSZACIVSA-N 0 0 307.394 3.046 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCCOC1CCCC1 ZINC000127221858 657688343 /nfs/dbraw/zinc/68/83/43/657688343.db2.gz ODFXAPSOEYLVGB-CQSZACIVSA-N 0 0 317.385 3.218 10 30 DGEERN COc1ccc(CNC(=S)NN=C(C)c2ccccc2)cc1 ZINC000254489189 658109773 /nfs/dbraw/zinc/10/97/73/658109773.db2.gz AVUYQFVOFWNSSH-UHFFFAOYSA-N 0 0 313.426 3.084 10 30 DGEERN COC(=O)c1cc(F)ccc1CON=Cc1ccccc1OC ZINC000263634235 658353229 /nfs/dbraw/zinc/35/32/29/658353229.db2.gz CBYTXQLLYIIWFR-UHFFFAOYSA-N 0 0 317.316 3.172 10 30 DGEERN Cc1ccc(OCC(=O)OC[C@@H](C#N)Cc2cccs2)cc1 ZINC000089293101 658394703 /nfs/dbraw/zinc/39/47/03/658394703.db2.gz YGCSGCYMOLXZIM-CQSZACIVSA-N 0 0 315.394 3.361 10 30 DGEERN Cc1nc2c(nccc2C(=O)N[C@H](CCC#N)c2ccccc2)[nH]1 ZINC000436150352 658791283 /nfs/dbraw/zinc/79/12/83/658791283.db2.gz JIVNZTOTYOXUGM-OAHLLOKOSA-N 0 0 319.368 3.041 10 30 DGEERN C#CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C1CCCC1 ZINC000163926410 658908720 /nfs/dbraw/zinc/90/87/20/658908720.db2.gz AHJXZFSTLPGGFI-GJZGRUSLSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)c1cc2c(c(Cl)c1)OCO2)C1CCCC1 ZINC000163929362 658910304 /nfs/dbraw/zinc/91/03/04/658910304.db2.gz PBPABFYTZBFSDH-UHFFFAOYSA-N 0 0 305.761 3.087 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)Cc1ccc(C)s1 ZINC000156589617 658926942 /nfs/dbraw/zinc/92/69/42/658926942.db2.gz LPQPYCAILUIPLU-UHFFFAOYSA-N 0 0 303.358 3.389 10 30 DGEERN C#CCN(C(=O)COc1ccc(C(=O)CC)cc1)C1CCCC1 ZINC000164345042 658930022 /nfs/dbraw/zinc/93/00/22/658930022.db2.gz CGXXJNOAWWBIGH-UHFFFAOYSA-N 0 0 313.397 3.063 10 30 DGEERN Cc1cc2c(nc(N3CCCC3)nc2Nc2ccc(C#N)cc2)[nH]1 ZINC000223921062 659004540 /nfs/dbraw/zinc/00/45/40/659004540.db2.gz CCPPLNFKVCMBEQ-UHFFFAOYSA-N 0 0 318.384 3.482 10 30 DGEERN C#CCOCCC(=O)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000166071561 659013627 /nfs/dbraw/zinc/01/36/27/659013627.db2.gz LOTMZCBXNIEEKI-LJQANCHMSA-N 0 0 312.340 3.498 10 30 DGEERN C#CCN(CC#C)C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000075391654 659013902 /nfs/dbraw/zinc/01/39/02/659013902.db2.gz WSTWJBLPAFQLDS-UHFFFAOYSA-N 0 0 309.409 3.036 10 30 DGEERN N#CCOc1ccc(CC(=O)OCCCC(F)(F)F)cc1 ZINC000157520559 659066901 /nfs/dbraw/zinc/06/69/01/659066901.db2.gz JANIIBFAWKVOED-UHFFFAOYSA-N 0 0 301.264 3.017 10 30 DGEERN CC(C)(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc(Cl)n1 ZINC000228115237 659174497 /nfs/dbraw/zinc/17/44/97/659174497.db2.gz ZVGGGLKISSRVOY-ZYHUDNBSSA-N 0 0 305.809 3.455 10 30 DGEERN COc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1NC(C)=O ZINC000171408803 659279323 /nfs/dbraw/zinc/27/93/23/659279323.db2.gz CWVVBHVLAJIEJH-VOTSOKGWSA-N 0 0 314.341 3.155 10 30 DGEERN CCc1nc(CN[C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000171768393 659298027 /nfs/dbraw/zinc/29/80/27/659298027.db2.gz ZCLPZACDKIAQQW-LBPRGKRZSA-N 0 0 301.415 3.459 10 30 DGEERN COCc1cccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000171877573 659303079 /nfs/dbraw/zinc/30/30/79/659303079.db2.gz VBAXPUSWTFSUGW-CYBMUJFWSA-N 0 0 311.337 3.078 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000171890218 659306261 /nfs/dbraw/zinc/30/62/61/659306261.db2.gz PGFKFAOMEIQPMR-MIMFYIINSA-N 0 0 302.377 3.491 10 30 DGEERN C#CCCCOC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076871261 659339192 /nfs/dbraw/zinc/33/91/92/659339192.db2.gz OUJLXNWSPLOUDG-KBPBESRZSA-N 0 0 309.406 3.027 10 30 DGEERN Cc1nn(C)c(C)c1C(=O)C=Cc1c[nH]c(-c2ccccc2)n1 ZINC000172678463 659349098 /nfs/dbraw/zinc/34/90/98/659349098.db2.gz NYDYLMZCZFEURF-MDZDMXLPSA-N 0 0 306.369 3.323 10 30 DGEERN C=C(COc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000231639359 659395637 /nfs/dbraw/zinc/39/56/37/659395637.db2.gz JPKPNGKQEPUTLD-UHFFFAOYSA-N 0 0 320.128 3.400 10 30 DGEERN C#C[C@H](C)OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000174423086 659433157 /nfs/dbraw/zinc/43/31/57/659433157.db2.gz ZCHVALXNIYCMMO-JTQLQIEISA-N 0 0 305.280 3.117 10 30 DGEERN C#C[C@@H](C)OC(=O)CCSc1ccccc1Br ZINC000174452085 659434800 /nfs/dbraw/zinc/43/48/00/659434800.db2.gz ZBHCPVIQLDZWIA-SNVBAGLBSA-N 0 0 313.216 3.496 10 30 DGEERN N#CCSCC(=O)OCCc1ccc(C(F)(F)F)cc1 ZINC000174591414 659441035 /nfs/dbraw/zinc/44/10/35/659441035.db2.gz RHNCVZLRWJKDQP-UHFFFAOYSA-N 0 0 303.305 3.048 10 30 DGEERN C#C[C@H](OC(=O)CCNc1cc(Cl)ccc1OC)C1CC1 ZINC000152319795 659581947 /nfs/dbraw/zinc/58/19/47/659581947.db2.gz KTXBITHJFVBMIZ-AWEZNQCLSA-N 0 0 307.777 3.106 10 30 DGEERN C=CCC1(c2nc(Cc3ccc4c[nH]nc4c3)no2)CCOCC1 ZINC000351301275 659671183 /nfs/dbraw/zinc/67/11/83/659671183.db2.gz VFVNXTRWVUYFNY-UHFFFAOYSA-N 0 0 324.384 3.161 10 30 DGEERN CN(c1cccc(C#N)c1)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175241695 659918199 /nfs/dbraw/zinc/91/81/99/659918199.db2.gz DKDBKRUVYXXXKN-MDZDMXLPSA-N 0 0 316.357 3.134 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000175708691 659927553 /nfs/dbraw/zinc/92/75/53/659927553.db2.gz DCDMXIZKASJFRH-CHWSQXEVSA-N 0 0 306.192 3.192 10 30 DGEERN COc1ccccc1CC(=O)OC[C@H](C#N)Cc1cccs1 ZINC000180092687 659952562 /nfs/dbraw/zinc/95/25/62/659952562.db2.gz KXXWTJLOJKUGBJ-ZDUSSCGKSA-N 0 0 315.394 3.225 10 30 DGEERN CCOc1ccc(C(=O)CCC(=O)OCC(C)(C)C#N)cc1 ZINC000180175890 659954205 /nfs/dbraw/zinc/95/42/05/659954205.db2.gz DTDFUNYWGKTXHO-UHFFFAOYSA-N 0 0 303.358 3.141 10 30 DGEERN C#CC[C@@H](OC(=O)COc1ccc(C)c(C)c1)c1ccccn1 ZINC000068595959 659958593 /nfs/dbraw/zinc/95/85/93/659958593.db2.gz CCADFVTVXXTLLF-GOSISDBHSA-N 0 0 309.365 3.385 10 30 DGEERN C#CCCCCC(=O)OCCCNc1ncnc2ccccc21 ZINC000180796736 659970426 /nfs/dbraw/zinc/97/04/26/659970426.db2.gz QAFNUJFLEHWDOO-UHFFFAOYSA-N 0 0 311.385 3.169 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000181069539 659978658 /nfs/dbraw/zinc/97/86/58/659978658.db2.gz LBPFLIWYBRAJBN-HNNXBMFYSA-N 0 0 310.438 3.060 10 30 DGEERN CC(C)(C)NC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000069285087 659985396 /nfs/dbraw/zinc/98/53/96/659985396.db2.gz KTMGXQWYXNDTJR-HNNXBMFYSA-N 0 0 321.380 3.100 10 30 DGEERN C=C[C@H](CC)OC(=O)C[C@H](NC(C)=O)c1ccccc1OCC ZINC000181225054 659987702 /nfs/dbraw/zinc/98/77/02/659987702.db2.gz LZNSCNMCIBGXBY-ZBFHGGJFSA-N 0 0 319.401 3.160 10 30 DGEERN C=C[C@@H](CC)OC(=O)C[C@H](NC(C)=O)c1ccccc1OCC ZINC000181225067 659987793 /nfs/dbraw/zinc/98/77/93/659987793.db2.gz LZNSCNMCIBGXBY-HOCLYGCPSA-N 0 0 319.401 3.160 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000181298348 659992570 /nfs/dbraw/zinc/99/25/70/659992570.db2.gz KIRVANNAODGWST-LBPRGKRZSA-N 0 0 316.357 3.395 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1cnn(CCC(F)(F)F)c1 ZINC000181512109 660003870 /nfs/dbraw/zinc/00/38/70/660003870.db2.gz LKBZKCUKSMXAPL-UHFFFAOYSA-N 0 0 322.286 3.044 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1ccccc1O ZINC000182028571 660031193 /nfs/dbraw/zinc/03/11/93/660031193.db2.gz YWBQLSDAUDAGJX-ZDUSSCGKSA-N 0 0 310.353 3.254 10 30 DGEERN COc1cc(/C=C/C(=O)c2cc(O)ccc2OC)cc(OC)c1 ZINC000182294055 660041777 /nfs/dbraw/zinc/04/17/77/660041777.db2.gz CLHZVNATUZYNHY-GQCTYLIASA-N 0 0 314.337 3.314 10 30 DGEERN CCOC(=O)c1ccc(/C=C/C(=O)c2cc(O)ccc2OC)o1 ZINC000182293588 660041929 /nfs/dbraw/zinc/04/19/29/660041929.db2.gz OUSDAVIPYCKENL-FNORWQNLSA-N 0 0 316.309 3.067 10 30 DGEERN N#CC1(COC(=O)c2ccn(-c3c(F)cccc3F)n2)CCC1 ZINC000183877023 660145214 /nfs/dbraw/zinc/14/52/14/660145214.db2.gz FITYQWPBCZITDR-UHFFFAOYSA-N 0 0 317.295 3.001 10 30 DGEERN N#CC1(COC(=O)c2cc3ccccc3s2)CCOCC1 ZINC000183939874 660148567 /nfs/dbraw/zinc/14/85/67/660148567.db2.gz CDEDBDXURJYSAG-UHFFFAOYSA-N 0 0 301.367 3.378 10 30 DGEERN CC#CCCCCOC(=O)CCc1nnc(C2CCCC2)o1 ZINC000183935680 660148657 /nfs/dbraw/zinc/14/86/57/660148657.db2.gz JTUNFINJEKZLNJ-UHFFFAOYSA-N 0 0 304.390 3.397 10 30 DGEERN CCc1ccc(C(C)(C)C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183982459 660151332 /nfs/dbraw/zinc/15/13/32/660151332.db2.gz WFCAQKNNFJXDQE-UHFFFAOYSA-N 0 0 315.413 3.390 10 30 DGEERN C#CCCCCNC(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000184555082 660172785 /nfs/dbraw/zinc/17/27/85/660172785.db2.gz QGBBJYZNJHUVNA-QGZVFWFLSA-N 0 0 313.445 3.100 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1c(C)nn(CCC)c1C ZINC000187507272 661731061 /nfs/dbraw/zinc/73/10/61/661731061.db2.gz IEWOZSFKJUXAOD-KRWDZBQOSA-N 0 0 308.422 3.296 10 30 DGEERN COc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000041516837 661835144 /nfs/dbraw/zinc/83/51/44/661835144.db2.gz WFABQKLCRYOPSF-RISCZKNCSA-N 0 0 316.382 3.104 10 30 DGEERN COc1ccc2c(CC(=O)[C@@H](C#N)c3ccccn3)coc2c1 ZINC000046705940 661869997 /nfs/dbraw/zinc/86/99/97/661869997.db2.gz QTIWMRWFTOGNAR-HNNXBMFYSA-N 0 0 306.321 3.255 10 30 DGEERN C=CCC[C@H](OC(=O)c1cccc(C[S@](C)=O)c1)C1CC1 ZINC000159529436 661889882 /nfs/dbraw/zinc/88/98/82/661889882.db2.gz YOVPWHTZGRXVEL-HRAATJIYSA-N 0 0 306.427 3.467 10 30 DGEERN C=CCC[C@@H](OC(=O)c1ccc(CNC(C)=O)s1)C1CC1 ZINC000159568022 661890481 /nfs/dbraw/zinc/89/04/81/661890481.db2.gz VXVSABFCLXLJQU-CQSZACIVSA-N 0 0 307.415 3.286 10 30 DGEERN C=CCC[C@@H](OC(=O)C1CCN(C(=O)C(C)C)CC1)C1CC1 ZINC000159671223 661893158 /nfs/dbraw/zinc/89/31/58/661893158.db2.gz AYUWWCXXHAKUKM-MRXNPFEDSA-N 0 0 307.434 3.169 10 30 DGEERN C#CC[C@@H](OC(=O)c1cnc(-c2cnn(C)c2)s1)C(C)(C)C ZINC000159673031 661893230 /nfs/dbraw/zinc/89/32/30/661893230.db2.gz BRLWEQHNCLLAAG-CYBMUJFWSA-N 0 0 317.414 3.138 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000075398625 661928752 /nfs/dbraw/zinc/92/87/52/661928752.db2.gz XLXHEPIUMBBJDY-LSDHHAIUSA-N 0 0 306.192 3.192 10 30 DGEERN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCc1ccsc1 ZINC000188423256 661930285 /nfs/dbraw/zinc/93/02/85/661930285.db2.gz GOFJRCWVZHOQEF-UHFFFAOYSA-N 0 0 323.339 3.477 10 30 DGEERN Cc1ccc(N(CCC#N)C(=O)c2cn3ccnc3s2)cc1 ZINC000188437170 661931316 /nfs/dbraw/zinc/93/13/16/661931316.db2.gz CQVPFFLLFIEHSZ-UHFFFAOYSA-N 0 0 310.382 3.265 10 30 DGEERN C=CC[C@@H](OC(=O)c1cc(OC(F)F)n(C)n1)c1ccccc1 ZINC000189228318 661969514 /nfs/dbraw/zinc/96/95/14/661969514.db2.gz NDMDIUSKXMVPMK-CYBMUJFWSA-N 0 0 322.311 3.496 10 30 DGEERN C#CCOc1ccccc1NC(=O)Cc1cnc2ccccc2c1 ZINC000190819943 662045278 /nfs/dbraw/zinc/04/52/78/662045278.db2.gz UZDFNTHAIZTTQU-UHFFFAOYSA-N 0 0 316.360 3.428 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(NC(C)=O)cc1 ZINC000191095081 662053871 /nfs/dbraw/zinc/05/38/71/662053871.db2.gz NBVPBLWBPXDFJV-QGZVFWFLSA-N 0 0 305.374 3.031 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cnc2onc(CC)c2c1 ZINC000191110303 662054317 /nfs/dbraw/zinc/05/43/17/662054317.db2.gz UXYDTDGLXIJGSH-QGZVFWFLSA-N 0 0 318.373 3.171 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000191117115 662054824 /nfs/dbraw/zinc/05/48/24/662054824.db2.gz UUPYJTMMOAUHBJ-SFHVURJKSA-N 0 0 313.397 3.362 10 30 DGEERN C#CCCCC(=O)O[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000191276928 662058119 /nfs/dbraw/zinc/05/81/19/662058119.db2.gz GDZIZQXQIPHCRG-UONOGXRCSA-N 0 0 309.406 3.027 10 30 DGEERN C#CCCCC(=O)O[C@H](CC(=O)OCC)c1ccc(F)c(F)c1 ZINC000191418235 662065526 /nfs/dbraw/zinc/06/55/26/662065526.db2.gz ZFNIKJGLKNJPCB-OAHLLOKOSA-N 0 0 324.323 3.306 10 30 DGEERN Cn1c(=O)sc2cc(/C=C3\Cc4c(cccc4O)C3=O)ccc21 ZINC000191493919 662068852 /nfs/dbraw/zinc/06/88/52/662068852.db2.gz BTVWOBHOIIVSDX-YRNVUSSQSA-N 0 0 323.373 3.128 10 30 DGEERN C#CC[C@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C(C)C ZINC000192241949 662092876 /nfs/dbraw/zinc/09/28/76/662092876.db2.gz DFVLVZYDZHAJHH-JTQLQIEISA-N 0 0 316.266 3.182 10 30 DGEERN C=CCC1(C(=O)Oc2cc(OC)c(OC)c(OC)c2)CCC1 ZINC000192289588 662094304 /nfs/dbraw/zinc/09/43/04/662094304.db2.gz IBTOUEDXQXEGLT-UHFFFAOYSA-N 0 0 306.358 3.364 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000192433875 662098181 /nfs/dbraw/zinc/09/81/81/662098181.db2.gz ZHQWNTDUTKQWNK-ZDUSSCGKSA-N 0 0 319.361 3.271 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)OC[C@H](C#N)Cc1cccs1 ZINC000192435688 662098544 /nfs/dbraw/zinc/09/85/44/662098544.db2.gz ASCHWROAHYFKSO-ZDUSSCGKSA-N 0 0 307.415 3.369 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)C1CC1 ZINC000079209123 662103937 /nfs/dbraw/zinc/10/39/37/662103937.db2.gz DZJPVSKBDGRPTO-BLLLJJGKSA-N 0 0 302.345 3.380 10 30 DGEERN N#C[C@H](COC(=O)CCc1cscn1)Cc1ccccc1 ZINC000079219584 662104389 /nfs/dbraw/zinc/10/43/89/662104389.db2.gz ZXYUIGNTCVGZAY-CQSZACIVSA-N 0 0 300.383 3.001 10 30 DGEERN C=CCn1c(C)nnc1SCc1cc(F)ccc1[N+](=O)[O-] ZINC000193221643 662127033 /nfs/dbraw/zinc/12/70/33/662127033.db2.gz LEBVWOXLNJGPOJ-UHFFFAOYSA-N 0 0 308.338 3.112 10 30 DGEERN Cc1ccc(OC(=O)c2cc(C#N)cn2C)c(Br)c1 ZINC000080942431 662156622 /nfs/dbraw/zinc/15/66/22/662156622.db2.gz QYRQIHMHJGSSIG-UHFFFAOYSA-N 0 0 319.158 3.187 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000081156063 662161758 /nfs/dbraw/zinc/16/17/58/662161758.db2.gz IBHWVXNRYWWVEG-UHFFFAOYSA-N 0 0 324.258 3.057 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccsc1)Cc1ccc(F)cc1 ZINC000194541351 662167920 /nfs/dbraw/zinc/16/79/20/662167920.db2.gz ZZVJEEOGPVCSKU-CQSZACIVSA-N 0 0 303.358 3.355 10 30 DGEERN CCCCCCCS(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000194797624 662173914 /nfs/dbraw/zinc/17/39/14/662173914.db2.gz DXCJBMZCIPLHGW-UHFFFAOYSA-N 0 0 322.434 3.184 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000194963351 662176282 /nfs/dbraw/zinc/17/62/82/662176282.db2.gz UCGBFPVLJQOQMW-LLVKDONJSA-N 0 0 301.390 3.108 10 30 DGEERN Oc1ccccc1/C=N/[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000086961047 662221721 /nfs/dbraw/zinc/22/17/21/662221721.db2.gz AXQZMNPDYLGUFY-NPNVKNKFSA-N 0 0 302.324 3.368 10 30 DGEERN Cc1ccn2c(c1)nnc2NC(=O)C(F)(F)c1ccccc1 ZINC000088254222 662229999 /nfs/dbraw/zinc/22/99/99/662229999.db2.gz BXAPULBRVBKLMF-UHFFFAOYSA-N 0 0 302.284 3.418 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000245401557 662232436 /nfs/dbraw/zinc/23/24/36/662232436.db2.gz DYWNZSBYLYVPJT-BBWFWOEESA-N 0 0 313.397 3.189 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000245424845 662232610 /nfs/dbraw/zinc/23/26/10/662232610.db2.gz DBKRSAPWKMRXOV-KFWWJZLASA-N 0 0 323.433 3.271 10 30 DGEERN C[C@H](Oc1ccccc1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000089296544 662241030 /nfs/dbraw/zinc/24/10/30/662241030.db2.gz JAGHPQBXPQRLJV-UONOGXRCSA-N 0 0 315.394 3.441 10 30 DGEERN C#C[C@H](C)OC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000246257322 662252006 /nfs/dbraw/zinc/25/20/06/662252006.db2.gz ALDKKWONQQQJOH-ILXRZTDVSA-N 0 0 323.433 3.225 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1 ZINC000091837101 662321238 /nfs/dbraw/zinc/32/12/38/662321238.db2.gz NJXIGZFHUWJULM-UHFFFAOYSA-N 0 0 305.337 3.136 10 30 DGEERN C=CCN(Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000092471885 662331600 /nfs/dbraw/zinc/33/16/00/662331600.db2.gz ZENZIOQVVDMIIL-UHFFFAOYSA-N 0 0 314.351 3.074 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)O1 ZINC000248112549 662333551 /nfs/dbraw/zinc/33/35/51/662333551.db2.gz CFHAGZFPTUQOBW-NRUUGDAUSA-N 0 0 319.311 3.175 10 30 DGEERN Cc1cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1C#N ZINC000489028589 685262853 /nfs/dbraw/zinc/26/28/53/685262853.db2.gz QRQFYSYGKCRVEV-AWEZNQCLSA-N 0 0 309.417 3.158 10 30 DGEERN C#C[C@H](C)OC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000174433712 685105825 /nfs/dbraw/zinc/10/58/25/685105825.db2.gz KULPVRBOSGVEBK-OOHWJJMZSA-N 0 0 319.445 3.197 10 30 DGEERN C#CCN(C(=O)/C=C/SCc1ccco1)c1nccs1 ZINC000084981161 1176231287 /nfs/dbraw/zinc/23/12/87/1176231287.db2.gz COEKTISILLHFQG-WEVVVXLNSA-N 0 0 304.396 3.149 10 30 DGEERN CC(=CC(C)(C)C)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000588507596 1176510663 /nfs/dbraw/zinc/51/06/63/1176510663.db2.gz QVOSSMZSJIJGTL-KXXVWKPMSA-N 0 0 300.406 3.173 10 30 DGEERN C[C@@H]1CCC[C@@]1(O)CNc1cc(Br)ccc1C#N ZINC000328078950 1176637433 /nfs/dbraw/zinc/63/74/33/1176637433.db2.gz GGJHYDNFDGKPTO-QMTHXVAHSA-N 0 0 309.207 3.284 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1cc(F)c(Br)cc1N ZINC000393728404 1197720459 /nfs/dbraw/zinc/72/04/59/1197720459.db2.gz ALLGNSJDBDWAGT-MRVPVSSYSA-N 0 0 315.186 3.255 10 30 DGEERN C=C[C@H](C)ONC(=O)c1cc(Cl)cc(Br)c1 ZINC000400915303 1199374394 /nfs/dbraw/zinc/37/43/94/1199374394.db2.gz CDYMUFIAGLAYFS-ZETCQYMHSA-N 0 0 304.571 3.338 10 30 DGEERN N#Cc1ccc(NCc2ccc(N)nc2)c(F)c1Br ZINC000308389791 1199704583 /nfs/dbraw/zinc/70/45/83/1199704583.db2.gz HSCCKBYPKZEIEU-UHFFFAOYSA-N 0 0 321.153 3.049 10 30 DGEERN C=CCOc1cccc(CNc2ccc(-n3cnnn3)c(C)c2)c1 ZINC000119322572 1200055855 /nfs/dbraw/zinc/05/58/55/1200055855.db2.gz LPXZKXVHXRUGMN-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN CCOC(=O)CCCNc1cc(Br)ccc1C#N ZINC000122953461 1200273591 /nfs/dbraw/zinc/27/35/91/1200273591.db2.gz FRPOHLVHBNZOQV-UHFFFAOYSA-N 0 0 311.179 3.076 10 30 DGEERN CCO[C@H]1CCCN(c2cc(Br)ccc2C#N)C1 ZINC000123188880 1200275487 /nfs/dbraw/zinc/27/54/87/1200275487.db2.gz YPPFLLJSGPHIOL-ZDUSSCGKSA-N 0 0 309.207 3.326 10 30 DGEERN COc1cccc(OC)c1COC(=O)c1ccc(C#N)cc1C ZINC000130635922 1201046047 /nfs/dbraw/zinc/04/60/47/1201046047.db2.gz ULPWZUOQSLZFNU-UHFFFAOYSA-N 0 0 311.337 3.241 10 30 DGEERN N#CCOc1ccc(CNC(=O)Nc2ccc3cc[nH]c3c2)cc1 ZINC000194302826 1201360709 /nfs/dbraw/zinc/36/07/09/1201360709.db2.gz GTDQALUXDHQZNW-UHFFFAOYSA-N 0 0 320.352 3.392 10 30 DGEERN C[C@@]1(O)CCCN(c2cc(Br)ccc2C#N)CC1 ZINC000230352238 1202597920 /nfs/dbraw/zinc/59/79/20/1202597920.db2.gz XUZRGDIJGXYEHF-CQSZACIVSA-N 0 0 309.207 3.062 10 30 DGEERN C[C@H](O)[C@H](C)Sc1ccc(C#N)c(Br)c1F ZINC000235599642 1202604590 /nfs/dbraw/zinc/60/45/90/1202604590.db2.gz LWLYWQJEBFDCQV-BQBZGAKWSA-N 0 0 304.184 3.321 10 30 DGEERN C#C[C@@H](CCC)NC(=O)c1cc(C)c(Br)s1 ZINC000233294397 1202602491 /nfs/dbraw/zinc/60/24/91/1202602491.db2.gz VCKBTQFTDVBMJF-VIFPVBQESA-N 0 0 300.221 3.351 10 30 DGEERN C[C@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)CCO1 ZINC000235743060 1202604728 /nfs/dbraw/zinc/60/47/28/1202604728.db2.gz SOGAJJDBJBWYRB-WPRPVWTQSA-N 0 0 313.170 3.439 10 30 DGEERN N#Cc1ccc(Br)cc1NCCOCC(F)F ZINC000236140057 1202605167 /nfs/dbraw/zinc/60/51/67/1202605167.db2.gz XVUFJECERQCXQI-UHFFFAOYSA-N 0 0 305.122 3.014 10 30 DGEERN N#Cc1cccc(CNc2ncc(Br)cc2F)c1 ZINC000236138709 1202605250 /nfs/dbraw/zinc/60/52/50/1202605250.db2.gz VBGQBTOUSWSXRY-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCc2cc(C)cc(C)c2C1 ZINC000186864783 1202969904 /nfs/dbraw/zinc/96/99/04/1202969904.db2.gz SKDXDFBQVCDIHB-LJQANCHMSA-N 0 0 301.430 3.417 10 30 DGEERN C#C[C@@H](NC(=O)NCc1nc(-c2ccccc2)cs1)C(C)C ZINC000282415974 1203283647 /nfs/dbraw/zinc/28/36/47/1203283647.db2.gz ZLAIFXCXZPLRDC-CQSZACIVSA-N 0 0 313.426 3.267 10 30 DGEERN C=C1CCN(c2nnc(-c3ccccc3)n2CCCOC)CC1 ZINC000282866697 1203284895 /nfs/dbraw/zinc/28/48/95/1203284895.db2.gz CNHLGMMXEHVRBK-UHFFFAOYSA-N 0 0 312.417 3.138 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Cl)c1O ZINC000165009766 1203726345 /nfs/dbraw/zinc/72/63/45/1203726345.db2.gz UDODTLUASCFJNB-UHFFFAOYSA-N 0 0 303.705 3.438 10 30 DGEERN CC(C)COCCCNC(=O)c1cccc(SCC#N)c1 ZINC000175988846 1203922874 /nfs/dbraw/zinc/92/28/74/1203922874.db2.gz LKGBMEFLQXVJKT-UHFFFAOYSA-N 0 0 306.431 3.095 10 30 DGEERN N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000179935202 1204325322 /nfs/dbraw/zinc/32/53/22/1204325322.db2.gz ZKYPKZBQUDQXQT-IAQYHMDHSA-N 0 0 323.352 3.463 10 30 DGEERN C=C[C@@H](C)ONC(=O)c1cc(Br)ccc1Cl ZINC000400937182 1204339957 /nfs/dbraw/zinc/33/99/57/1204339957.db2.gz OBWUJXVSDKWBQW-SSDOTTSWSA-N 0 0 304.571 3.338 10 30 DGEERN CCN(CCC#N)C(=O)c1cc(C)c(Br)s1 ZINC000083674284 1082266740 /nfs/dbraw/zinc/26/67/40/1082266740.db2.gz GJMIRYWDKUVNDP-UHFFFAOYSA-N 0 0 301.209 3.195 10 30 DGEERN C=CC[C@H](CO)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC000588479108 1082427505 /nfs/dbraw/zinc/42/75/05/1082427505.db2.gz WBUJATYMMABZKK-HIJJYWJESA-N 0 0 314.212 3.450 10 30 DGEERN O=C(C=Cc1ccc(F)nc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000588524002 1082548291 /nfs/dbraw/zinc/54/82/91/1082548291.db2.gz QTHFHRSWYQAGED-RJRFIUFISA-N 0 0 312.222 3.236 10 30 DGEERN C=CCN(C)C(=O)/C=C\c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000588524624 1082548910 /nfs/dbraw/zinc/54/89/10/1082548910.db2.gz DUQCTHOVUDRYCT-WSROAFLRSA-N 0 0 301.386 3.066 10 30 DGEERN C=C[C@@H](C)OC(=O)/C=C\c1ccc(I)o1 ZINC000588539625 1082585923 /nfs/dbraw/zinc/58/59/23/1082585923.db2.gz XHNVJMIHSKQSEW-GRKOMRHMSA-N 0 0 318.110 3.015 10 30 DGEERN CN(C(=O)c1nscc1Br)c1ccccc1C#N ZINC000404842869 1094270545 /nfs/dbraw/zinc/27/05/45/1094270545.db2.gz NWACDPBILZIRBE-UHFFFAOYSA-N 0 0 322.187 3.054 10 30 DGEERN C=CCCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000312468812 1094981248 /nfs/dbraw/zinc/98/12/48/1094981248.db2.gz UPPKHSGVZFBZGQ-UHFFFAOYSA-N 0 0 311.300 3.497 10 30 DGEERN C=CCOCCCC(=O)NC[C@@H](C)c1nc2ccccc2s1 ZINC000155965293 1099674336 /nfs/dbraw/zinc/67/43/36/1099674336.db2.gz MJKDVRZCIYFKGA-CYBMUJFWSA-N 0 0 318.442 3.499 10 30 DGEERN C=CC[C@@H]1N(C(=O)Cc2cccc(OC)n2)CCCC1(C)C ZINC000338883004 1102111932 /nfs/dbraw/zinc/11/19/32/1102111932.db2.gz LBYJAKCKAIUXEG-HNNXBMFYSA-N 0 0 302.418 3.226 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccc(Br)cc1O ZINC000380955527 1108081680 /nfs/dbraw/zinc/08/16/80/1108081680.db2.gz RGQIFDCQULIVQQ-UHFFFAOYSA-N 0 0 312.207 3.487 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000278296122 214072769 /nfs/dbraw/zinc/07/27/69/214072769.db2.gz HEUOXKFIKZAFSM-UHFFFAOYSA-N 0 0 301.296 3.102 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000278749964 214374302 /nfs/dbraw/zinc/37/43/02/214374302.db2.gz FGOJWNMCCDSLEP-AUUYWEPGSA-N 0 0 310.397 3.253 10 30 DGEERN C#CCCCC(=O)Nc1cc(F)cc(Br)c1F ZINC000278775636 214392216 /nfs/dbraw/zinc/39/22/16/214392216.db2.gz WXBZKLXDHQZLNG-UHFFFAOYSA-N 0 0 302.118 3.469 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000278769510 214389177 /nfs/dbraw/zinc/38/91/77/214389177.db2.gz SVCAXXZNPRTQTJ-USXIJHARSA-N 0 0 303.377 3.123 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000183947063 529447857 /nfs/dbraw/zinc/44/78/57/529447857.db2.gz FRZARPDYSVZWTE-AWEZNQCLSA-N 0 0 302.374 3.064 10 30 DGEERN C=CCN(Cc1nc(C2CC2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287949 432004581 /nfs/dbraw/zinc/00/45/81/432004581.db2.gz GDJUQJKHPRBQEB-UHFFFAOYSA-N 0 0 314.345 3.043 10 30 DGEERN CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1nccs1 ZINC000152478937 529555624 /nfs/dbraw/zinc/55/56/24/529555624.db2.gz DWYYOWJSFHKFPU-NSHDSACASA-N 0 0 307.325 3.174 10 30 DGEERN CC[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccs1 ZINC000329360804 529579610 /nfs/dbraw/zinc/57/96/10/529579610.db2.gz IFCYWFKLEFQGFU-GRYCIOLGSA-N 0 0 307.419 3.164 10 30 DGEERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000092585963 185327202 /nfs/dbraw/zinc/32/72/02/185327202.db2.gz NBLYLLBTYDBHCI-ZDUSSCGKSA-N 0 0 319.405 3.030 10 30 DGEERN Cc1nnc(CNc2ccccc2C#Cc2ccccc2)n1C ZINC000097048081 185403151 /nfs/dbraw/zinc/40/31/51/185403151.db2.gz NBZHYHUSRMRGJJ-UHFFFAOYSA-N 0 0 302.381 3.135 10 30 DGEERN N#Cc1nccn1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000124014763 185867246 /nfs/dbraw/zinc/86/72/46/185867246.db2.gz PHEARMNICLWWKE-UHFFFAOYSA-N 0 0 318.336 3.186 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000150794611 186066218 /nfs/dbraw/zinc/06/62/18/186066218.db2.gz LQPXUHKLZHHWKU-IAGOWNOFSA-N 0 0 312.413 3.368 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCO[C@@H]1C ZINC000191850320 186263633 /nfs/dbraw/zinc/26/36/33/186263633.db2.gz PBPJLBOUTJOLAF-PWSUYJOCSA-N 0 0 323.776 3.331 10 30 DGEERN N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000253394815 186304354 /nfs/dbraw/zinc/30/43/54/186304354.db2.gz LNJBCNIZQSNVOI-YOEHRIQHSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067046821 432026085 /nfs/dbraw/zinc/02/60/85/432026085.db2.gz PVBIPIOBXAVARZ-LLVKDONJSA-N 0 0 303.412 3.096 10 30 DGEERN C=C[C@@]1(C)CC[C@H](C(=C)C)C2=C1C(=O)C(OC)=C(OC)C2=O ZINC000000899232 290914066 /nfs/dbraw/zinc/91/40/66/290914066.db2.gz OXNJGMNJOVOFOW-ZMZPIMSZSA-N 0 0 302.370 3.118 10 30 biogenic,in-vitro DGEERN C=CCCCN(C)C(=O)Nc1ccc(OCCOC)cc1C ZINC000172407104 198092530 /nfs/dbraw/zinc/09/25/30/198092530.db2.gz ASACXGIRZPXPPB-UHFFFAOYSA-N 0 0 306.406 3.450 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000172348081 198083314 /nfs/dbraw/zinc/08/33/14/198083314.db2.gz HHZLEELMCSVXNI-CYBMUJFWSA-N 0 0 306.406 3.372 10 30 DGEERN O=C(O/N=C/c1c(Cl)nc2sccn12)c1ccccc1 ZINC000000166578 180712868 /nfs/dbraw/zinc/71/28/68/180712868.db2.gz BQGQOZSPQOOAAJ-OVCLIPMQSA-N 0 0 305.746 3.240 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)no1 ZINC000173442720 198216089 /nfs/dbraw/zinc/21/60/89/198216089.db2.gz RBGOZVWLFZQAPD-AWEZNQCLSA-N 0 0 310.357 3.042 10 30 DGEERN COc1ccc2c(CC(=O)Nc3cccc(C#N)c3)coc2c1 ZINC000003603805 181038997 /nfs/dbraw/zinc/03/89/97/181038997.db2.gz VOGMPBLWQYECQG-UHFFFAOYSA-N 0 0 306.321 3.494 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCOc4cccc(F)c43)cc2)CC1 ZINC000181804226 283048882 /nfs/dbraw/zinc/04/88/82/283048882.db2.gz JVIVHUKIIMQLNM-UHFFFAOYSA-N 0 0 322.339 3.420 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000408339539 283065584 /nfs/dbraw/zinc/06/55/84/283065584.db2.gz QHMDNCHYYNPICD-DOMZBBRYSA-N 0 0 305.381 3.146 10 30 DGEERN N#Cc1c(Br)n(-c2ccc(O)cc2)c2ncccc12 ZINC000098181286 283073052 /nfs/dbraw/zinc/07/30/52/283073052.db2.gz LTXWDTHTXSFRGP-UHFFFAOYSA-N 0 0 314.142 3.365 10 30 DGEERN N#Cc1cccc(C(=O)NCc2nc3ccccc3n2C2CC2)c1 ZINC000074778959 191358870 /nfs/dbraw/zinc/35/88/70/191358870.db2.gz PWBNOPPAEZOTIO-UHFFFAOYSA-N 0 0 316.364 3.173 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000004959140 181179495 /nfs/dbraw/zinc/17/94/95/181179495.db2.gz JPKBHQROFDXBJI-JTQLQIEISA-N 0 0 301.733 3.013 10 30 DGEERN C=C(C)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000005195091 181215905 /nfs/dbraw/zinc/21/59/05/181215905.db2.gz FHAGACMCMQYSNX-HNNXBMFYSA-N 0 0 307.349 3.277 10 30 endogenous,in-man DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276955316 213201599 /nfs/dbraw/zinc/20/15/99/213201599.db2.gz XVMKHNYWUXKYQN-SNVBAGLBSA-N 0 0 320.345 3.231 10 30 DGEERN C=C[C@H](CC(=O)Nc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000179287336 432052947 /nfs/dbraw/zinc/05/29/47/432052947.db2.gz LSKAIHWTQYGMMG-CYBMUJFWSA-N 0 0 310.353 3.167 10 30 DGEERN COc1cc(/C=C/C(=O)c2oc(C)nc2C)cc(OC)c1OC ZINC000005724569 181276787 /nfs/dbraw/zinc/27/67/87/181276787.db2.gz OYVMXPKCCHKFKS-VOTSOKGWSA-N 0 0 317.341 3.213 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168776600 432070000 /nfs/dbraw/zinc/07/00/00/432070000.db2.gz FEDBLEPBLIOFNE-AWEZNQCLSA-N 0 0 315.335 3.259 10 30 DGEERN N#Cc1nccn1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000179867521 432073009 /nfs/dbraw/zinc/07/30/09/432073009.db2.gz IMCOWELLCCAOKY-UHFFFAOYSA-N 0 0 314.433 3.249 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)C1CCC(C(=O)OC)CC1 ZINC000179462075 199040686 /nfs/dbraw/zinc/04/06/86/199040686.db2.gz OOENORROTVHJRR-UHFFFAOYSA-N 0 0 315.413 3.181 10 30 DGEERN C=CCc1cccc(C=NNc2nnc(SC(C)C)[nH]2)c1O ZINC000005911329 181296103 /nfs/dbraw/zinc/29/61/03/181296103.db2.gz SCDNBDYLQCINQG-CXUHLZMHSA-N 0 0 317.418 3.185 10 30 DGEERN CCSc1nnc([N-][NH+]=Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000005927765 181297174 /nfs/dbraw/zinc/29/71/74/181297174.db2.gz TVCZDJPGVVPXAP-LFIBNONCSA-N 0 0 318.450 3.209 10 30 DGEERN C=CCC[C@H](NCc1cc(-c2ccccc2)n[nH]1)C(=O)OCC ZINC000449660179 240349558 /nfs/dbraw/zinc/34/95/58/240349558.db2.gz XGXFZUQOKPTSNH-INIZCTEOSA-N 0 0 313.401 3.064 10 30 DGEERN C[C@H]1CC(C(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000180281682 432082619 /nfs/dbraw/zinc/08/26/19/432082619.db2.gz PROVMTUPNWQYNT-ZIAGYGMSSA-N 0 0 300.402 3.126 10 30 DGEERN COCc1ccsc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000180273115 432082788 /nfs/dbraw/zinc/08/27/88/432082788.db2.gz OCZIJXCMVJSESW-UHFFFAOYSA-N 0 0 300.383 3.038 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)C1CC1 ZINC000276360995 212826592 /nfs/dbraw/zinc/82/65/92/212826592.db2.gz AKARDTOYPQELCH-INIZCTEOSA-N 0 0 302.418 3.431 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CCC1 ZINC000189815143 432092773 /nfs/dbraw/zinc/09/27/73/432092773.db2.gz PLIKRCOGFNLSQS-UHFFFAOYSA-N 0 0 307.415 3.083 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cccc(Br)c2F)c1 ZINC000435990062 238379682 /nfs/dbraw/zinc/37/96/82/238379682.db2.gz FWBJWIPUFFNSHS-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN Cc1cc(Br)cc(C(=O)Nc2cc(C#N)ccn2)c1 ZINC000435995772 238379868 /nfs/dbraw/zinc/37/98/68/238379868.db2.gz RKKCDMLNMGIRJV-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000435998137 238381533 /nfs/dbraw/zinc/38/15/33/238381533.db2.gz VHIRZEPVZYGAEN-UHFFFAOYSA-N 0 0 306.152 3.441 10 30 DGEERN Cc1ccc(C(=O)Nc2cc(C#N)ccn2)c(Br)c1 ZINC000436003557 238382183 /nfs/dbraw/zinc/38/21/83/238382183.db2.gz SSLXMTVSMSOYBT-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000436029518 238386326 /nfs/dbraw/zinc/38/63/26/238386326.db2.gz SJBAPXPHOZEHGL-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193199324 201005708 /nfs/dbraw/zinc/00/57/08/201005708.db2.gz JTNYGOMAPMOAJL-CQSZACIVSA-N 0 0 305.381 3.394 10 30 DGEERN N#Cc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)ccn1 ZINC000193385231 201043192 /nfs/dbraw/zinc/04/31/92/201043192.db2.gz ZTIKYMHQNJGGMM-CQSZACIVSA-N 0 0 323.421 3.208 10 30 DGEERN N#Cc1cc(C(=O)NCC2(Cc3ccccc3)CCC2)ccn1 ZINC000193510946 201066130 /nfs/dbraw/zinc/06/61/30/201066130.db2.gz SOYBDQHWYGBURP-UHFFFAOYSA-N 0 0 305.381 3.096 10 30 DGEERN COC(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1 ZINC000194415328 201222956 /nfs/dbraw/zinc/22/29/56/201222956.db2.gz DLWQEEIRXFHMHE-UHFFFAOYSA-N 0 0 302.280 3.235 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C(=O)NC2(CC)CCC2)c1 ZINC000194641987 201266799 /nfs/dbraw/zinc/26/67/99/201266799.db2.gz DCIQTPOSCRNTCN-UHFFFAOYSA-N 0 0 316.401 3.029 10 30 DGEERN N#CC1CCC(CNC(=O)NC2(c3ccc(F)cc3)CC2)CC1 ZINC000442166247 239085309 /nfs/dbraw/zinc/08/53/09/239085309.db2.gz SVXKHXBPJXVZGB-UHFFFAOYSA-N 0 0 315.392 3.444 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000194976686 201320062 /nfs/dbraw/zinc/32/00/62/201320062.db2.gz OTHGKMNIHJVHRL-UHFFFAOYSA-N 0 0 307.231 3.104 10 30 DGEERN Cc1cc(Br)ccc1NC(=O)c1ccnc(C#N)c1 ZINC000195014832 201325917 /nfs/dbraw/zinc/32/59/17/201325917.db2.gz JALKCFIMLWQCHW-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C(#Cc1ncnc2c1ncn2Cc1ccccc1)c1ccccc1 ZINC000006581115 181356812 /nfs/dbraw/zinc/35/68/12/181356812.db2.gz WRIGMYJLOIMKSY-UHFFFAOYSA-N 0 0 310.360 3.274 10 30 DGEERN CS[C@@H]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247254791 202660057 /nfs/dbraw/zinc/66/00/57/202660057.db2.gz XYFBCKBGMISNGA-NWANDNLSSA-N 0 0 318.442 3.116 10 30 DGEERN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075680681 283824317 /nfs/dbraw/zinc/82/43/17/283824317.db2.gz PRCMOJQWPBDZKN-QAPCUYQASA-N 0 0 322.408 3.463 10 30 DGEERN CCN(C(=O)c1cc(C#N)cn1C)c1ccc(C#N)c(Cl)c1 ZINC000091207115 193018118 /nfs/dbraw/zinc/01/81/18/193018118.db2.gz XVTFZHXCUWYNCX-UHFFFAOYSA-N 0 0 312.760 3.089 10 30 DGEERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449973359 240504895 /nfs/dbraw/zinc/50/48/95/240504895.db2.gz QRSPJOWSRQIFBT-YVEFUNNKSA-N 0 0 311.360 3.259 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000450210850 240606935 /nfs/dbraw/zinc/60/69/35/240606935.db2.gz LTBGAZJQQPSDOB-UHFFFAOYSA-N 0 0 307.397 3.091 10 30 DGEERN Fc1cccc([C@@H](NCCOCC(F)F)C(F)(F)F)c1F ZINC000189924015 432106542 /nfs/dbraw/zinc/10/65/42/432106542.db2.gz ZTPNFRPTOUDRIK-LLVKDONJSA-N 0 0 319.220 3.440 10 30 DGEERN CC(C)Oc1cccnc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000079397843 283879461 /nfs/dbraw/zinc/87/94/61/283879461.db2.gz RNZXUMYYPQXJMS-UHFFFAOYSA-N 0 0 309.369 3.013 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000451359736 241094495 /nfs/dbraw/zinc/09/44/95/241094495.db2.gz JGZSRDKQYYGIQY-DZGCQCFKSA-N 0 0 311.360 3.102 10 30 DGEERN N#Cc1ccc(OCCNC(=O)NCCC2=CCCCC2)cc1 ZINC000080584649 283899904 /nfs/dbraw/zinc/89/99/04/283899904.db2.gz HMHYUDNZMJALFV-UHFFFAOYSA-N 0 0 313.401 3.127 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000452142160 241329487 /nfs/dbraw/zinc/32/94/87/241329487.db2.gz LMBXVHUHIGDGAM-JKIFEVAISA-N 0 0 307.397 3.303 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@](C)(F)C1 ZINC000452205347 241352508 /nfs/dbraw/zinc/35/25/08/241352508.db2.gz JGTQNBGFNDRBGU-QGZVFWFLSA-N 0 0 307.365 3.224 10 30 DGEERN CC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000080977732 283906981 /nfs/dbraw/zinc/90/69/81/283906981.db2.gz FEESQVCBHHMNFX-AWEZNQCLSA-N 0 0 301.777 3.431 10 30 DGEERN Cc1c(CNC(=O)c2cc(C#N)cn2C)oc2ccc(F)cc12 ZINC000081053118 283909080 /nfs/dbraw/zinc/90/90/80/283909080.db2.gz DDTAQGTWYAHJAH-UHFFFAOYSA-N 0 0 311.316 3.021 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000081547517 283920216 /nfs/dbraw/zinc/92/02/16/283920216.db2.gz DBKWZADMAIIWRY-UHFFFAOYSA-N 0 0 301.777 3.215 10 30 DGEERN Cc1ncc(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000454999147 242083586 /nfs/dbraw/zinc/08/35/86/242083586.db2.gz LZKXFHDAZCGMPR-UHFFFAOYSA-N 0 0 313.426 3.208 10 30 DGEERN C=CCC[C@@H](NC(=O)N[C@H]1COCC1(C)C)c1ccccc1 ZINC000454706538 242015270 /nfs/dbraw/zinc/01/52/70/242015270.db2.gz ZDAAXHMTBXQAIK-CVEARBPZSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC(=O)NC ZINC000455250356 242145908 /nfs/dbraw/zinc/14/59/08/242145908.db2.gz RLDIAQKCOHTLMB-ZDUSSCGKSA-N 0 0 317.433 3.185 10 30 DGEERN C=C(C)CCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000455309560 242165229 /nfs/dbraw/zinc/16/52/29/242165229.db2.gz LGJMCYWDURDUMD-UHFFFAOYSA-N 0 0 321.490 3.104 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](CO)[C@H]1CC ZINC000455384086 242186377 /nfs/dbraw/zinc/18/63/77/242186377.db2.gz NPXGUVOJIVUHEW-NVXWUHKLSA-N 0 0 302.418 3.430 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000455525898 242225495 /nfs/dbraw/zinc/22/54/95/242225495.db2.gz SAOURUGGFLYRTE-INIZCTEOSA-N 0 0 302.418 3.378 10 30 DGEERN COc1ccc(CS[C@H](C)C(=O)N(C)C(C)C)cc1C#N ZINC000135335521 432113302 /nfs/dbraw/zinc/11/33/02/432113302.db2.gz VBDNYTFSMKBNRE-GFCCVEGCSA-N 0 0 306.431 3.055 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)c1 ZINC000455953984 242316784 /nfs/dbraw/zinc/31/67/84/242316784.db2.gz LLXTVZWOSVJSPJ-QGZVFWFLSA-N 0 0 323.400 3.359 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1ccccc1Cc1ccccc1 ZINC000456760697 242548022 /nfs/dbraw/zinc/54/80/22/242548022.db2.gz VLLKQYUCUBJCAA-GOSISDBHSA-N 0 0 309.409 3.334 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@@H](CO)[C@H]1CC)c1ccccc1 ZINC000458573666 243094363 /nfs/dbraw/zinc/09/43/63/243094363.db2.gz MIAMIFAQWWNWBM-OKZBNKHCSA-N 0 0 316.445 3.496 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(CC)C[C@H]1CCCO1 ZINC000460555634 243552139 /nfs/dbraw/zinc/55/21/39/243552139.db2.gz FWBVLYZQMOYAAK-MRXNPFEDSA-N 0 0 320.481 3.448 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000467752166 244005069 /nfs/dbraw/zinc/00/50/69/244005069.db2.gz FDCLKIBZAGESHI-INIZCTEOSA-N 0 0 301.430 3.449 10 30 DGEERN CC(C)C(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(C)C ZINC000469823699 244124800 /nfs/dbraw/zinc/12/48/00/244124800.db2.gz YANNRRFYLLJNDT-SFHVURJKSA-N 0 0 324.465 3.292 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CC)C(F)(F)F ZINC000470783995 244188189 /nfs/dbraw/zinc/18/81/89/244188189.db2.gz NAZQXEDODBRSPW-ZDUSSCGKSA-N 0 0 317.307 3.331 10 30 DGEERN C=CC[C@@H](CO)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000275007228 212070009 /nfs/dbraw/zinc/07/00/09/212070009.db2.gz FGTURNOHIIBOOD-LBPRGKRZSA-N 0 0 309.822 3.131 10 30 DGEERN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)o1 ZINC000093660418 193285316 /nfs/dbraw/zinc/28/53/16/193285316.db2.gz KAKXVWYXOGRZSU-UHFFFAOYSA-N 0 0 311.385 3.229 10 30 DGEERN Cc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1C ZINC000485121828 244915937 /nfs/dbraw/zinc/91/59/37/244915937.db2.gz DWPBYSQDXKVENM-UHFFFAOYSA-N 0 0 318.373 3.139 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000487607594 245082975 /nfs/dbraw/zinc/08/29/75/245082975.db2.gz RFPSMTBYCAUODX-AWEZNQCLSA-N 0 0 322.453 3.111 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000122735724 284224472 /nfs/dbraw/zinc/22/44/72/284224472.db2.gz KWGOHMZCZKNRFK-KRWDZBQOSA-N 0 0 321.380 3.088 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000489738564 245339881 /nfs/dbraw/zinc/33/98/81/245339881.db2.gz DXTMILIVCXWZEP-UHFFFAOYSA-N 0 0 302.403 3.355 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1CC1 ZINC000265080514 204383710 /nfs/dbraw/zinc/38/37/10/204383710.db2.gz IGKPLYBMTKHGJA-UHFFFAOYSA-N 0 0 305.852 3.129 10 30 DGEERN CCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 ZINC000012240450 181743982 /nfs/dbraw/zinc/74/39/82/181743982.db2.gz GOABTQXRQIWEHF-UHFFFAOYSA-N 0 0 319.368 3.258 10 30 DGEERN N#Cc1cc(F)ccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000171382816 432128443 /nfs/dbraw/zinc/12/84/43/432128443.db2.gz KRVAQXJGAHKNQA-CQSZACIVSA-N 0 0 310.376 3.026 10 30 DGEERN C[C@H](O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000266438489 205347780 /nfs/dbraw/zinc/34/77/80/205347780.db2.gz VOKQSUYMIYTVTB-NSHDSACASA-N 0 0 315.804 3.357 10 30 DGEERN CN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1cccc(O)c1 ZINC000016904579 182063480 /nfs/dbraw/zinc/06/34/80/182063480.db2.gz YUNMJYYSHPWDKD-FEGCFHEDSA-N 0 0 311.366 3.021 10 30 DGEERN O=C1C=C(Nc2ccc3c(c2)OCCO3)c2ccccc2C1=O ZINC000018203678 182098785 /nfs/dbraw/zinc/09/87/85/182098785.db2.gz BLLQASMLBLPZRI-XMHGGMMESA-N 0 0 307.305 3.217 10 30 DGEERN N#Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000019162863 182106181 /nfs/dbraw/zinc/10/61/81/182106181.db2.gz XENQLBKWNXGLHH-UHFFFAOYSA-N 0 0 301.689 3.372 10 30 DGEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000019487118 182125132 /nfs/dbraw/zinc/12/51/32/182125132.db2.gz ZOGIFKRHRVELNK-LZYBPNLTSA-N 0 0 323.146 3.493 10 30 DGEERN N/C(=N\O)c1ccccc1Oc1ccccc1Br ZINC000020076424 182184934 /nfs/dbraw/zinc/18/49/34/182184934.db2.gz HIUSVLYYRIDAAG-UHFFFAOYSA-N 0 0 307.147 3.336 10 30 DGEERN C[C@@H](SC1CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000131489536 296210745 /nfs/dbraw/zinc/21/07/45/296210745.db2.gz DVMIXGSRLFEPSQ-CQSZACIVSA-N 0 0 318.442 3.234 10 30 DGEERN COc1ccccc1NC(=O)COc1ccc(C#N)c(Cl)c1 ZINC000190246835 432137299 /nfs/dbraw/zinc/13/72/99/432137299.db2.gz AIBVZTYFHAOPDR-UHFFFAOYSA-N 0 0 316.744 3.238 10 30 DGEERN Cn1ncc(C(=O)O/N=C\c2c(F)cccc2Cl)c1Cl ZINC000033376527 182707450 /nfs/dbraw/zinc/70/74/50/182707450.db2.gz XYOIQVFIIOULAH-FMQZQXMHSA-N 0 0 316.119 3.057 10 30 DGEERN Cc1nnc([C@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc2)[nH]1 ZINC000181672044 432141373 /nfs/dbraw/zinc/14/13/73/432141373.db2.gz RDTSTLVTHZJBCE-FZKQIMNGSA-N 0 0 317.396 3.425 10 30 DGEERN O=[N+]([O-])c1ccc(N=NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000034930245 182745398 /nfs/dbraw/zinc/74/53/98/182745398.db2.gz WELVTVZWNPRATB-NVNXTCNLSA-N 0 0 304.237 3.088 10 30 DGEERN C=CCc1cc(C(=O)N2CCS[C@@H](C)C2)cc(OC)c1OC ZINC000171575700 432146140 /nfs/dbraw/zinc/14/61/40/432146140.db2.gz OYSCPCXRKDVMPO-LBPRGKRZSA-N 0 0 321.442 3.010 10 30 DGEERN OC1CCN(c2ccccc2NCC#Cc2ccccc2)CC1 ZINC000190351349 432146923 /nfs/dbraw/zinc/14/69/23/432146923.db2.gz VTNLPRHXXNGAJK-UHFFFAOYSA-N 0 0 306.409 3.111 10 30 DGEERN O=C(Nc1ccc(C#CCO)cc1F)c1ccc(Cl)cc1 ZINC000037548848 182906634 /nfs/dbraw/zinc/90/66/34/182906634.db2.gz XNVSDLGMLNPJRR-UHFFFAOYSA-N 0 0 303.720 3.075 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000274320211 211508640 /nfs/dbraw/zinc/50/86/40/211508640.db2.gz GFTQWFBVZYOQQA-ZIAGYGMSSA-N 0 0 323.437 3.364 10 30 DGEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040307289 183053359 /nfs/dbraw/zinc/05/33/59/183053359.db2.gz VVRMGNOKXHIPET-UHFFFAOYSA-N 0 0 305.381 3.314 10 30 DGEERN N#CCCN(C1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000042301547 183251403 /nfs/dbraw/zinc/25/14/03/183251403.db2.gz ALJBSXGYNKNSTB-UHFFFAOYSA-N 0 0 319.213 3.060 10 30 DGEERN N#CCCN(c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000042549612 183283945 /nfs/dbraw/zinc/28/39/45/183283945.db2.gz OETZBYSKGASZEG-UHFFFAOYSA-N 0 0 310.151 3.240 10 30 DGEERN CCc1nccn1[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000105897147 194162592 /nfs/dbraw/zinc/16/25/92/194162592.db2.gz JBXFUMHJVMZDPX-INIZCTEOSA-N 0 0 312.392 3.293 10 30 DGEERN N#Cc1cnc(NCc2ccc(Oc3ccc(F)cc3)nc2)cn1 ZINC000106464807 194218960 /nfs/dbraw/zinc/21/89/60/194218960.db2.gz CPTNSCIIYQIVBF-UHFFFAOYSA-N 0 0 321.315 3.287 10 30 DGEERN N#Cc1cnc(NCc2ccc(Oc3cccnc3)c(F)c2)cn1 ZINC000106465082 194219215 /nfs/dbraw/zinc/21/92/15/194219215.db2.gz AHJIOMFHDBFMSP-UHFFFAOYSA-N 0 0 321.315 3.287 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)c1oc(C2CC2)nc1C ZINC000273674620 210970466 /nfs/dbraw/zinc/97/04/66/210970466.db2.gz ZWIGLQNRNNBXPM-UHFFFAOYSA-N 0 0 314.316 3.264 10 30 DGEERN CN(CCOc1ccc(C(F)(F)F)cc1)c1ccncc1C#N ZINC000515226867 269688712 /nfs/dbraw/zinc/68/87/12/269688712.db2.gz XTINQYJFBJPGNV-UHFFFAOYSA-N 0 0 321.302 3.487 10 30 DGEERN CCOc1c(Cl)cc(C(=O)NC2(C#N)CCCC2)cc1OC ZINC000060852706 184157088 /nfs/dbraw/zinc/15/70/88/184157088.db2.gz SIHSBVZJKQINEX-UHFFFAOYSA-N 0 0 322.792 3.313 10 30 DGEERN N#C[C@@H](C(=O)Nc1ncc(Br)s1)c1ccccc1 ZINC000061614614 184178776 /nfs/dbraw/zinc/17/87/76/184178776.db2.gz DDJNKKBNQYYBLJ-SECBINFHSA-N 0 0 322.187 3.151 10 30 DGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892218 184193016 /nfs/dbraw/zinc/19/30/16/184193016.db2.gz OKMWVAHERGOLNT-ZYHUDNBSSA-N 0 0 324.178 3.139 10 30 DGEERN CC1(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)COC1 ZINC000112695839 194504170 /nfs/dbraw/zinc/50/41/70/194504170.db2.gz DEYAGZKCEYAQBV-UHFFFAOYSA-N 0 0 305.740 3.347 10 30 DGEERN COc1cc(N(C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1F ZINC000301617876 532952641 /nfs/dbraw/zinc/95/26/41/532952641.db2.gz KWCRFECMPLQANT-UHFFFAOYSA-N 0 0 315.304 3.251 10 30 DGEERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc(C#N)ccc1Br ZINC000248858977 285033184 /nfs/dbraw/zinc/03/31/84/285033184.db2.gz WYCGPFCRPFDNBP-GNXNZQSNSA-N 0 0 323.234 3.054 10 30 DGEERN CC[C@H]1CC[C@H](C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000249397316 285071720 /nfs/dbraw/zinc/07/17/20/285071720.db2.gz TYPWIGSIEIRGCO-KOMQPUFPSA-N 0 0 300.402 3.270 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cccc(-c2noc(C)n2)c1)OCC ZINC000270138920 208199314 /nfs/dbraw/zinc/19/93/14/208199314.db2.gz ZNNYKHJLJRJZIS-OAHLLOKOSA-N 0 0 315.373 3.355 10 30 DGEERN C[C@@H](NC(=O)CSCC#N)c1ccc(-c2cccnc2)cc1 ZINC000175674127 533084687 /nfs/dbraw/zinc/08/46/87/533084687.db2.gz LEHQREWJRPTQHB-CYBMUJFWSA-N 0 0 311.410 3.183 10 30 DGEERN CCN1C(=O)c2ccccc2N[C@H]1c1c(F)cc(C#N)cc1F ZINC000195266249 285177311 /nfs/dbraw/zinc/17/73/11/285177311.db2.gz KOFIMUHTNKAVSE-MRXNPFEDSA-N 0 0 313.307 3.423 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000155568417 197067588 /nfs/dbraw/zinc/06/75/88/197067588.db2.gz UPYNFJLVGKBOBY-DOTOQJQBSA-N 0 0 304.434 3.149 10 30 DGEERN C[C@]12CC[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O ZINC000253648720 257104347 /nfs/dbraw/zinc/10/43/47/257104347.db2.gz WVAMBAWFDOYFOD-NLGVSFGESA-N 0 0 302.414 3.058 10 30 DGEERN Cc1ccc(Br)c(NC(=O)c2cc(C#N)cn2C)c1 ZINC000121018565 195280747 /nfs/dbraw/zinc/28/07/47/195280747.db2.gz RHJYVVGLGFCIJX-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN COc1cc(C#N)ccc1CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000121593075 195312678 /nfs/dbraw/zinc/31/26/78/195312678.db2.gz UCEOBAKAZDCBEK-GOSISDBHSA-N 0 0 312.369 3.042 10 30 DGEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CSC1(C)C ZINC000328729123 533246578 /nfs/dbraw/zinc/24/65/78/533246578.db2.gz FGVVEGFZLDOYMJ-LSDHHAIUSA-N 0 0 320.458 3.470 10 30 DGEERN C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@@H]1COc2ccccc21 ZINC000178840067 533295711 /nfs/dbraw/zinc/29/57/11/533295711.db2.gz CHOGHDXTPZFGQA-DYVFJYSZSA-N 0 0 306.365 3.047 10 30 DGEERN COC(=O)[C@H](NCCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC000357509966 533332218 /nfs/dbraw/zinc/33/22/18/533332218.db2.gz NGZFFNVIAZAGGA-CYBMUJFWSA-N 0 0 315.200 3.491 10 30 DGEERN CO[C@@H](C)[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000359531423 533354425 /nfs/dbraw/zinc/35/44/25/533354425.db2.gz AQRACTGBBWPLJO-KBPBESRZSA-N 0 0 313.401 3.098 10 30 DGEERN C[C@@H](CC#N)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000129349839 533395548 /nfs/dbraw/zinc/39/55/48/533395548.db2.gz FZZZVCCIWHPJJQ-VIFPVBQESA-N 0 0 321.229 3.057 10 30 DGEERN C[C@@H](CC#N)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155778033 533403441 /nfs/dbraw/zinc/40/34/41/533403441.db2.gz NMWGKTZOBAGSJG-WRWORJQWSA-N 0 0 321.249 3.170 10 30 DGEERN C=C(C)CCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000455306866 533487298 /nfs/dbraw/zinc/48/72/98/533487298.db2.gz HIIUIZOPMWYHCE-HNNXBMFYSA-N 0 0 308.809 3.389 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)NCC1(C)CCC1 ZINC000175093904 533502154 /nfs/dbraw/zinc/50/21/54/533502154.db2.gz NXMCKDPBWHFCPG-UHFFFAOYSA-N 0 0 316.401 3.032 10 30 DGEERN COc1cccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182350998 533508524 /nfs/dbraw/zinc/50/85/24/533508524.db2.gz SINJELWGMWDBCT-UHFFFAOYSA-N 0 0 306.365 3.180 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N(CCC#N)CC1CC1 ZINC000153486763 533554329 /nfs/dbraw/zinc/55/43/29/533554329.db2.gz RDESDDYSJCWBJL-UHFFFAOYSA-N 0 0 306.793 3.043 10 30 DGEERN Cc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1F ZINC000187443504 533646442 /nfs/dbraw/zinc/64/64/42/533646442.db2.gz HONUCLMIVYYHCV-UHFFFAOYSA-N 0 0 308.356 3.354 10 30 DGEERN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2ccccc2C1=O ZINC000329017473 285618680 /nfs/dbraw/zinc/61/86/80/285618680.db2.gz RDFIYECQCYBRKD-HRCADAONSA-N 0 0 301.386 3.346 10 30 DGEERN CCC[C@](C)(O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101303 400093895 /nfs/dbraw/zinc/09/38/95/400093895.db2.gz WXOGNUGEADIOFA-FQEVSTJZSA-N 0 0 322.408 3.393 10 30 DGEERN CCC[C@@](C)(O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101304 400094111 /nfs/dbraw/zinc/09/41/11/400094111.db2.gz WXOGNUGEADIOFA-HXUWFJFHSA-N 0 0 322.408 3.393 10 30 DGEERN C=CCOc1ccc(C(=O)NC(C)(C)C(F)(F)F)cc1OC ZINC000616205659 400100563 /nfs/dbraw/zinc/10/05/63/400100563.db2.gz XXYLBFZOJDFOFX-UHFFFAOYSA-N 0 0 317.307 3.331 10 30 DGEERN C=CCC1(c2nc(-c3ccc(O)c(C)c3)no2)CCOCC1 ZINC000584774676 400101031 /nfs/dbraw/zinc/10/10/31/400101031.db2.gz LOYAZQALTDCJIW-UHFFFAOYSA-N 0 0 300.358 3.375 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C ZINC000616234008 400106042 /nfs/dbraw/zinc/10/60/42/400106042.db2.gz LGIPEPPFLHTSKX-SJORKVTESA-N 0 0 320.477 3.275 10 30 DGEERN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000584807694 400107153 /nfs/dbraw/zinc/10/71/53/400107153.db2.gz LAGHJXAOJAMQOB-ZBFHGGJFSA-N 0 0 312.392 3.183 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000581437247 400079411 /nfs/dbraw/zinc/07/94/11/400079411.db2.gz GLQMVRKOZJXDDX-CYBMUJFWSA-N 0 0 306.454 3.014 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000582010711 400084845 /nfs/dbraw/zinc/08/48/45/400084845.db2.gz APLXUWDLSSUNJZ-UHFFFAOYSA-N 0 0 300.402 3.290 10 30 DGEERN Cc1cc(C#N)cc(N[C@@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000587979964 400176151 /nfs/dbraw/zinc/17/61/51/400176151.db2.gz VRMGPFJICKMYOW-MRXNPFEDSA-N 0 0 310.376 3.482 10 30 DGEERN CC(C)(C)[C@@H](O)CNc1cc(Br)c(C#N)cc1F ZINC000324386689 400179126 /nfs/dbraw/zinc/17/91/26/400179126.db2.gz XXKPXDBLIBTMBU-LBPRGKRZSA-N 0 0 315.186 3.279 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)Nc1ccncc1C ZINC000328617216 400182103 /nfs/dbraw/zinc/18/21/03/400182103.db2.gz CMICYJNOSHYYGG-GFCCVEGCSA-N 0 0 316.430 3.023 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1sccc1C#N ZINC000328619851 400182634 /nfs/dbraw/zinc/18/26/34/400182634.db2.gz GHRUEXNAZUBIMB-NSHDSACASA-N 0 0 317.439 3.235 10 30 DGEERN CCc1nnsc1C(=O)NC[C@H]1CCCc2sc(C)nc21 ZINC000328636418 400183686 /nfs/dbraw/zinc/18/36/86/400183686.db2.gz VLOLTCAGQMBXTO-SECBINFHSA-N 0 0 322.459 3.290 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C)c(SC)c1 ZINC000616605525 400183867 /nfs/dbraw/zinc/18/38/67/400183867.db2.gz KGSYKSGZVIQJDX-CQSZACIVSA-N 0 0 306.431 3.126 10 30 DGEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1=CCCCCC1 ZINC000328652227 400184046 /nfs/dbraw/zinc/18/40/46/400184046.db2.gz WFZDONDRUPUPHS-GJZGRUSLSA-N 0 0 318.396 3.240 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](OC)C1CCCC1 ZINC000616300986 400121352 /nfs/dbraw/zinc/12/13/52/400121352.db2.gz HUROBKNLNGLROF-ROUUACIJSA-N 0 0 301.430 3.495 10 30 DGEERN N#Cc1cc(F)c(NCC[C@H]2CCOC2)cc1Br ZINC000310668941 400132922 /nfs/dbraw/zinc/13/29/22/400132922.db2.gz HCMWGBDWVNHRBB-VIFPVBQESA-N 0 0 313.170 3.298 10 30 DGEERN COc1cc(C)c(NC(=O)CCc2ccc(C#N)cc2)cc1OC ZINC000010444418 400134219 /nfs/dbraw/zinc/13/42/19/400134219.db2.gz QYZZTYMKCDXZMJ-UHFFFAOYSA-N 0 0 324.380 3.455 10 30 DGEERN CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609134532 400142233 /nfs/dbraw/zinc/14/22/33/400142233.db2.gz PZBXMUDXEGKARX-LRDDRELGSA-N 0 0 324.421 3.335 10 30 DGEERN CCC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609134531 400142744 /nfs/dbraw/zinc/14/27/44/400142744.db2.gz PZBXMUDXEGKARX-BLLLJJGKSA-N 0 0 324.421 3.335 10 30 DGEERN CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609134533 400142999 /nfs/dbraw/zinc/14/29/99/400142999.db2.gz PZBXMUDXEGKARX-MLGOLLRUSA-N 0 0 324.421 3.335 10 30 DGEERN CN(C(=O)c1cc(-c2cccnc2)on1)c1ccc(C#N)cc1F ZINC000609217334 400151074 /nfs/dbraw/zinc/15/10/74/400151074.db2.gz CQLYRXAIFMOFMA-UHFFFAOYSA-N 0 0 322.299 3.024 10 30 DGEERN Cc1ccsc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000609239413 400154138 /nfs/dbraw/zinc/15/41/38/400154138.db2.gz LTEJTCAHZWRGNB-UHFFFAOYSA-N 0 0 303.362 3.067 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000616478291 400155520 /nfs/dbraw/zinc/15/55/20/400155520.db2.gz OCIGCELNNHVMOD-ULQDDVLXSA-N 0 0 320.477 3.132 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC[C@H]2c2ccccc2)c(F)c1 ZINC000609253610 400155593 /nfs/dbraw/zinc/15/55/93/400155593.db2.gz DEWAJDTZBAMKKH-KRWDZBQOSA-N 0 0 309.344 3.354 10 30 DGEERN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000014575640 400157243 /nfs/dbraw/zinc/15/72/43/400157243.db2.gz FOBXVAQVJKIXNJ-LLVKDONJSA-N 0 0 316.307 3.093 10 30 DGEERN C=CCNC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000067358861 400164876 /nfs/dbraw/zinc/16/48/76/400164876.db2.gz CLRMTBYOXLMPKF-UHFFFAOYSA-N 0 0 311.223 3.255 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000015361589 400164972 /nfs/dbraw/zinc/16/49/72/400164972.db2.gz FMSIIGPEHIOCHC-JTQLQIEISA-N 0 0 302.280 3.242 10 30 DGEERN CN(C(=O)CNc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000586834536 400166233 /nfs/dbraw/zinc/16/62/33/400166233.db2.gz VJPFZUSCWHZRCG-UHFFFAOYSA-N 0 0 307.397 3.364 10 30 DGEERN CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000015801019 400168485 /nfs/dbraw/zinc/16/84/85/400168485.db2.gz GENHUGRKGCOJEN-ZDUSSCGKSA-N 0 0 308.337 3.167 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O ZINC000601067855 400219843 /nfs/dbraw/zinc/21/98/43/400219843.db2.gz DCZQOICLERYLPE-HZPDHXFCSA-N 0 0 311.385 3.308 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccc(F)cc2CSC)C1=O ZINC000601067930 400220188 /nfs/dbraw/zinc/22/01/88/400220188.db2.gz FMRJHCIAAPVOFF-CQSZACIVSA-N 0 0 322.405 3.075 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000024499270 400220327 /nfs/dbraw/zinc/22/03/27/400220327.db2.gz AZSQBRLDDCZGOI-UHFFFAOYSA-N 0 0 318.380 3.096 10 30 DGEERN C[C@H](NC(=O)Nc1ccc2nccn2c1)c1cccc(C#N)c1 ZINC000610326346 400242491 /nfs/dbraw/zinc/24/24/91/400242491.db2.gz WEBSWRTUBCIWIZ-LBPRGKRZSA-N 0 0 305.341 3.089 10 30 DGEERN C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000610352876 400248134 /nfs/dbraw/zinc/24/81/34/400248134.db2.gz OHAKNORQORXCCO-IEBWSBKVSA-N 0 0 323.371 3.227 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cc3occc3s2)c(F)c1 ZINC000609858071 400196432 /nfs/dbraw/zinc/19/64/32/400196432.db2.gz XZICTAQZTIZTML-UHFFFAOYSA-N 0 0 300.314 3.435 10 30 DGEERN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616662985 400197058 /nfs/dbraw/zinc/19/70/58/400197058.db2.gz NOLBYYBFGVOHSM-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCSCCNC(=O)c1c(F)cc(OC)cc1Cl ZINC000601020278 400205093 /nfs/dbraw/zinc/20/50/93/400205093.db2.gz WRPNJRNBNXGKSI-UHFFFAOYSA-N 0 0 303.786 3.137 10 30 DGEERN C=CCSCCNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000601019786 400205106 /nfs/dbraw/zinc/20/51/06/400205106.db2.gz OYJZZVJSKJOGQO-UHFFFAOYSA-N 0 0 305.443 3.230 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000616698229 400207519 /nfs/dbraw/zinc/20/75/19/400207519.db2.gz ZICJAWDAKJJLAI-GFCCVEGCSA-N 0 0 303.328 3.239 10 30 DGEERN C=C1CCN(C(=O)Cc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000601039659 400208794 /nfs/dbraw/zinc/20/87/94/400208794.db2.gz NZSAUCFOZPBSKR-UHFFFAOYSA-N 0 0 315.413 3.363 10 30 DGEERN C=C(CNC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000588339996 400211858 /nfs/dbraw/zinc/21/18/58/400211858.db2.gz WTZDMYUEWAHNBA-UHFFFAOYSA-N 0 0 309.344 3.210 10 30 DGEERN N#Cc1c(Cl)nsc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000092960799 400214869 /nfs/dbraw/zinc/21/48/69/400214869.db2.gz FOEWQSINXNKKEU-SNVBAGLBSA-N 0 0 314.197 3.467 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1nc(C2CCC2)no1 ZINC000601058981 400216605 /nfs/dbraw/zinc/21/66/05/400216605.db2.gz RMOJFTODGIYTGN-LBPRGKRZSA-N 0 0 323.462 3.383 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1nc(CC2CC2)no1 ZINC000601060827 400217774 /nfs/dbraw/zinc/21/77/74/400217774.db2.gz FSCCZDRZJHYNLQ-GFCCVEGCSA-N 0 0 323.462 3.068 10 30 DGEERN CC1(c2ccccc2)CC(NC(=O)Cc2cccc(C#N)c2)C1 ZINC000610521451 400270265 /nfs/dbraw/zinc/27/02/65/400270265.db2.gz POSBUFRGTSIFAM-UHFFFAOYSA-N 0 0 304.393 3.337 10 30 DGEERN Cc1cc(NC(=O)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000610527920 400271490 /nfs/dbraw/zinc/27/14/90/400271490.db2.gz QYOGCVWHFWYGJA-UHFFFAOYSA-N 0 0 301.349 3.018 10 30 DGEERN CCC(CC)n1ccc(C(=O)NCc2ccc(C#N)cc2F)n1 ZINC000610905056 400322587 /nfs/dbraw/zinc/32/25/87/400322587.db2.gz HAWVKTMZICTYGF-UHFFFAOYSA-N 0 0 314.364 3.185 10 30 DGEERN C=CCN(CC(=O)Nc1ccccc1OC)Cc1ccccc1 ZINC000027775458 400281174 /nfs/dbraw/zinc/28/11/74/400281174.db2.gz HAULVSITGLWCPR-UHFFFAOYSA-N 0 0 310.397 3.322 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000617036860 400288020 /nfs/dbraw/zinc/28/80/20/400288020.db2.gz GBORJNNIAFELNU-CJNGLKHVSA-N 0 0 312.413 3.436 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617037922 400288243 /nfs/dbraw/zinc/28/82/43/400288243.db2.gz SNSQIVISTODVBA-TZMCWYRMSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000617035708 400288276 /nfs/dbraw/zinc/28/82/76/400288276.db2.gz RGOAPKNFAUHRFC-CPUCHLNUSA-N 0 0 301.386 3.078 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1OC ZINC000617039524 400288712 /nfs/dbraw/zinc/28/87/12/400288712.db2.gz IPSYXRVLVPNFGD-HUUCEWRRSA-N 0 0 302.418 3.358 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1nnc(C(C)C)o1 ZINC000617039191 400288734 /nfs/dbraw/zinc/28/87/34/400288734.db2.gz DLVZZRQDFBKXMC-KGLIPLIRSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccccn2)c1C ZINC000617038264 400289022 /nfs/dbraw/zinc/28/90/22/400289022.db2.gz VSPWOUQXNRQEKT-WBVHZDCISA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nncn1C(C)C ZINC000617038437 400289267 /nfs/dbraw/zinc/28/92/67/400289267.db2.gz XERJYLAHRWGCQR-KBPBESRZSA-N 0 0 322.478 3.202 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000617040085 400289952 /nfs/dbraw/zinc/28/99/52/400289952.db2.gz PKIKMRPJRPMDHY-TZMCWYRMSA-N 0 0 319.401 3.274 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1c2c(nn1C)CCCC2 ZINC000617040366 400290060 /nfs/dbraw/zinc/29/00/60/400290060.db2.gz SVGGVYLEHWUGIA-UKRRQHHQSA-N 0 0 301.434 3.164 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000617042749 400291216 /nfs/dbraw/zinc/29/12/16/400291216.db2.gz VKHYWYSCSJTXKQ-PWSUYJOCSA-N 0 0 313.323 3.360 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000617043472 400291265 /nfs/dbraw/zinc/29/12/65/400291265.db2.gz AGYYLUPMLDCTGJ-LZWOXQAQSA-N 0 0 301.434 3.330 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000617042471 400291508 /nfs/dbraw/zinc/29/15/08/400291508.db2.gz RXAYOMAWKNVUSA-AAEUAGOBSA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617042987 400291561 /nfs/dbraw/zinc/29/15/61/400291561.db2.gz XXIUZSAWHXGMGA-HOCLYGCPSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](CNC(C)=O)CC(C)C ZINC000617044547 400291785 /nfs/dbraw/zinc/29/17/85/400291785.db2.gz PDCWRYGCTQHLFQ-RCCFBDPRSA-N 0 0 322.493 3.426 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000617045010 400291869 /nfs/dbraw/zinc/29/18/69/400291869.db2.gz WJGVRBGQPMNABV-HOCLYGCPSA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000617045091 400292006 /nfs/dbraw/zinc/29/20/06/400292006.db2.gz XAVKLZRUTCNNNC-DGCLKSJQSA-N 0 0 300.358 3.398 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601654485 400323635 /nfs/dbraw/zinc/32/36/35/400323635.db2.gz HMAVGJFVBCBEJG-ZIAGYGMSSA-N 0 0 307.434 3.169 10 30 DGEERN C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000576685457 400324083 /nfs/dbraw/zinc/32/40/83/400324083.db2.gz YCCWNHOJMBXWAW-HOTGVXAUSA-N 0 0 300.450 3.433 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(C[C@@H](C)C(=O)OC)cc2)C1 ZINC000601442266 400301089 /nfs/dbraw/zinc/30/10/89/400301089.db2.gz WVUPGYHGZZMVEQ-CYBMUJFWSA-N 0 0 301.386 3.333 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1CC#N ZINC000601462194 400303327 /nfs/dbraw/zinc/30/33/27/400303327.db2.gz SWPGNZGWZVSDLO-GOEBONIOSA-N 0 0 318.442 3.166 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1CC#N ZINC000601462196 400303421 /nfs/dbraw/zinc/30/34/21/400303421.db2.gz SWPGNZGWZVSDLO-ZBFHGGJFSA-N 0 0 318.442 3.166 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000601498191 400304463 /nfs/dbraw/zinc/30/44/63/400304463.db2.gz STGOKDWIWSXXHX-UHFFFAOYSA-N 0 0 324.421 3.109 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000504056997 400306377 /nfs/dbraw/zinc/30/63/77/400306377.db2.gz UFNNBZFNRKUCSV-MRXNPFEDSA-N 0 0 323.481 3.164 10 30 DGEERN N#Cc1ccc(N2CC[C@H](C(F)F)C2)c(Br)c1 ZINC000589600071 400308172 /nfs/dbraw/zinc/30/81/72/400308172.db2.gz NQCIQQQVGUVDOM-VIFPVBQESA-N 0 0 301.134 3.412 10 30 DGEERN C=CCCC1(CNC(=O)CCC(=O)NC2CCCC2)CCCC1 ZINC000617416862 400384001 /nfs/dbraw/zinc/38/40/01/400384001.db2.gz ALBFIMFAZOFXSN-UHFFFAOYSA-N 0 0 320.477 3.468 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCN2C(=O)CCC)CCCC1 ZINC000617416471 400384181 /nfs/dbraw/zinc/38/41/81/400384181.db2.gz RRDINJXWBCLLNZ-MRXNPFEDSA-N 0 0 320.477 3.420 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)CCCC1 ZINC000617416256 400384444 /nfs/dbraw/zinc/38/44/44/400384444.db2.gz HRLGUMJZFADFCV-MRXNPFEDSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCCC1(CNC(=O)C2(OCC)CCOCC2)CCCC1 ZINC000617418128 400385295 /nfs/dbraw/zinc/38/52/95/400385295.db2.gz SVPQTPNEIMGGHG-UHFFFAOYSA-N 0 0 309.450 3.215 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)CCCC1 ZINC000617417871 400385397 /nfs/dbraw/zinc/38/53/97/400385397.db2.gz JSYIYJIVUDIURN-INIZCTEOSA-N 0 0 318.461 3.030 10 30 DGEERN C=CCCC1(CNC(=O)C[C@@H]2CCOC[C@H]2OC)CCCC1 ZINC000617417987 400385609 /nfs/dbraw/zinc/38/56/09/400385609.db2.gz OMPPWVOUWVTMCJ-JKSUJKDBSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCCC1(CNC(=O)c2cn3nccc3nc2C)CCCC1 ZINC000617418950 400386526 /nfs/dbraw/zinc/38/65/26/400386526.db2.gz PNPFNLAOWPQELL-UHFFFAOYSA-N 0 0 312.417 3.294 10 30 DGEERN C=CCCOCC(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000617458759 400389743 /nfs/dbraw/zinc/38/97/43/400389743.db2.gz WNOBGGMAIDOVJE-KRWDZBQOSA-N 0 0 317.429 3.175 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(OC)cccc1SC ZINC000578351858 400327557 /nfs/dbraw/zinc/32/75/57/400327557.db2.gz BIACXQGBCDEZQW-RYUDHWBXSA-N 0 0 322.430 3.130 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000601683132 400328902 /nfs/dbraw/zinc/32/89/02/400328902.db2.gz NRPROPICISOXJY-UONOGXRCSA-N 0 0 307.434 3.169 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000578545564 400329520 /nfs/dbraw/zinc/32/95/20/400329520.db2.gz VWRJCNVYGGSGTJ-UHFFFAOYSA-N 0 0 321.442 3.099 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000610978006 400331905 /nfs/dbraw/zinc/33/19/05/400331905.db2.gz LGZLZOIZBULSHU-UHFFFAOYSA-N 0 0 307.434 3.337 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000578904797 400333705 /nfs/dbraw/zinc/33/37/05/400333705.db2.gz SFYPZZVQJWPPDY-UHFFFAOYSA-N 0 0 324.465 3.496 10 30 DGEERN CN(CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1 ZINC000031005212 400336710 /nfs/dbraw/zinc/33/67/10/400336710.db2.gz RGYSJCLVHUQEST-UHFFFAOYSA-N 0 0 319.836 3.114 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1cc(C)sc1C ZINC000579703851 400341992 /nfs/dbraw/zinc/34/19/92/400341992.db2.gz XBNXIUGDJYEYER-ZLDLUXBVSA-N 0 0 308.447 3.316 10 30 DGEERN CCc1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 ZINC000579932236 400343807 /nfs/dbraw/zinc/34/38/07/400343807.db2.gz ZNEQDEDFRLVGBZ-UHFFFAOYSA-N 0 0 309.417 3.019 10 30 DGEERN N#Cc1ccc(CNCc2cnc([C@H]3CCCO3)s2)c(F)c1 ZINC000611118747 400346881 /nfs/dbraw/zinc/34/68/81/400346881.db2.gz HQLAMYHCNYHTMG-OAHLLOKOSA-N 0 0 317.389 3.295 10 30 DGEERN C=C(C)C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)OC ZINC000601781515 400347954 /nfs/dbraw/zinc/34/79/54/400347954.db2.gz IOZDIGMIEFKUGR-GOEBONIOSA-N 0 0 303.402 3.194 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000601781557 400348259 /nfs/dbraw/zinc/34/82/59/400348259.db2.gz JBIHECFRYJGVRX-BXUZGUMPSA-N 0 0 309.793 3.068 10 30 DGEERN C=CCCCCCNc1ccccc1C(=O)N1CCC[C@H]1CO ZINC000580873162 400348431 /nfs/dbraw/zinc/34/84/31/400348431.db2.gz SQNZTJLCISSOME-INIZCTEOSA-N 0 0 316.445 3.442 10 30 DGEERN C=CCCCCCNC(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000580901248 400348657 /nfs/dbraw/zinc/34/86/57/400348657.db2.gz NUHINVILIAHUHQ-MJGOQNOKSA-N 0 0 316.445 3.198 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cc(C(F)F)ccc1F)C(=O)OC ZINC000601786784 400349203 /nfs/dbraw/zinc/34/92/03/400349203.db2.gz ZPNMVTGPBLHANM-LBPRGKRZSA-N 0 0 315.291 3.001 10 30 DGEERN C=CC1CCN(C(=O)NCc2ccc(OCC)c(F)c2)CC1 ZINC000111495874 400364868 /nfs/dbraw/zinc/36/48/68/400364868.db2.gz APWXFWFINOJACR-UHFFFAOYSA-N 0 0 306.381 3.332 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601861380 400366160 /nfs/dbraw/zinc/36/61/60/400366160.db2.gz LMGXUUAGLSIVCJ-HOTGVXAUSA-N 0 0 313.449 3.325 10 30 DGEERN CCCc1cnc(NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000611454610 400404536 /nfs/dbraw/zinc/40/45/36/400404536.db2.gz WAPHIFRREOPQQG-UHFFFAOYSA-N 0 0 318.377 3.428 10 30 DGEERN CSc1ccccc1CC(=O)NCc1ccc(C#N)cc1F ZINC000611470598 400406808 /nfs/dbraw/zinc/40/68/08/400406808.db2.gz UAOQSCYQKAFTSY-UHFFFAOYSA-N 0 0 314.385 3.278 10 30 DGEERN CC[C@H](C)n1nc(C(=O)NCc2ccc(C#N)cc2F)cc1C ZINC000611493391 400410225 /nfs/dbraw/zinc/41/02/25/400410225.db2.gz AUWFVAYYBZZKDU-NSHDSACASA-N 0 0 314.364 3.103 10 30 DGEERN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000611561014 400422545 /nfs/dbraw/zinc/42/25/45/400422545.db2.gz RTJLLAUVMCBRSJ-UKRRQHHQSA-N 0 0 300.402 3.488 10 30 DGEERN CC1(C#N)CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC000611561315 400422665 /nfs/dbraw/zinc/42/26/65/400422665.db2.gz XKUOPQIMUVRANV-UHFFFAOYSA-N 0 0 313.332 3.247 10 30 DGEERN N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000611551532 400420218 /nfs/dbraw/zinc/42/02/18/400420218.db2.gz MKLGTVIIDVWMKU-LJQANCHMSA-N 0 0 309.388 3.208 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@](C)(COCc1ccccc1)OC ZINC000617680523 400443368 /nfs/dbraw/zinc/44/33/68/400443368.db2.gz JRPSFZUAZHUSBP-APWZRJJASA-N 0 0 319.445 3.327 10 30 DGEERN C=CCNC(=O)[C@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120725658 400448289 /nfs/dbraw/zinc/44/82/89/400448289.db2.gz QISCLNUSNYNXLF-BDAKNGLRSA-N 0 0 319.207 3.474 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC000617776823 400450608 /nfs/dbraw/zinc/45/06/08/400450608.db2.gz BYSUTPWDVJYGTE-GFCCVEGCSA-N 0 0 303.793 3.416 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C1CCC1 ZINC000128182756 400511900 /nfs/dbraw/zinc/51/19/00/400511900.db2.gz XPNRDIDHESJHAS-CYBMUJFWSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nc(C)no1 ZINC000591012107 400476214 /nfs/dbraw/zinc/47/62/14/400476214.db2.gz RVMRGLDBVVYPBI-LLVKDONJSA-N 0 0 302.334 3.035 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C1CCC1 ZINC000128182528 400512154 /nfs/dbraw/zinc/51/21/54/400512154.db2.gz XPNRDIDHESJHAS-ZDUSSCGKSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000043878656 400480441 /nfs/dbraw/zinc/48/04/41/400480441.db2.gz LHQAGWLUXDVCQO-ZDUSSCGKSA-N 0 0 304.390 3.148 10 30 DGEERN C=C[C@H](C)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612265492 400515161 /nfs/dbraw/zinc/51/51/61/400515161.db2.gz ZBLBBKXDTNZGNL-NSHDSACASA-N 0 0 323.234 3.354 10 30 DGEERN C=CCCCCCN(C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000128744402 400518390 /nfs/dbraw/zinc/51/83/90/400518390.db2.gz ONEDARXHSGOYSH-OAHLLOKOSA-N 0 0 317.433 3.401 10 30 DGEERN CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1nccs1 ZINC000130821759 400542388 /nfs/dbraw/zinc/54/23/88/400542388.db2.gz IUOAUXTUUKIYML-WCQYABFASA-N 0 0 315.398 3.050 10 30 DGEERN N#Cc1ccc(Cl)cc1OCc1nnc([C@H]2CCCOC2)o1 ZINC000591600406 400543858 /nfs/dbraw/zinc/54/38/58/400543858.db2.gz WTCJHUVLLYYRRN-NSHDSACASA-N 0 0 319.748 3.068 10 30 DGEERN C=CCC1(NC(=O)c2cc3c(cc2O)CCCC3)CCOCC1 ZINC000618248516 400550474 /nfs/dbraw/zinc/55/04/74/400550474.db2.gz KMJZNLABUSIGLE-UHFFFAOYSA-N 0 0 315.413 3.126 10 30 DGEERN C=CCC1(NC(=O)c2cc3cc(OC)ccc3[nH]2)CCOCC1 ZINC000618249350 400551437 /nfs/dbraw/zinc/55/14/37/400551437.db2.gz QGFRZSQUZFKEMU-UHFFFAOYSA-N 0 0 314.385 3.032 10 30 DGEERN C=C(C)C[C@@H](NCc1cc2cc(Cl)cnc2o1)C(=O)OC ZINC000602732770 400555783 /nfs/dbraw/zinc/55/57/83/400555783.db2.gz DLBGLZUGNQAQMW-CYBMUJFWSA-N 0 0 308.765 3.079 10 30 DGEERN C=CCN(Cc1cnn(Cc2ccccc2)c1)CC(F)(F)F ZINC000131968624 400555905 /nfs/dbraw/zinc/55/59/05/400555905.db2.gz KYCLSHQCDQFBQG-UHFFFAOYSA-N 0 0 309.335 3.482 10 30 DGEERN C=C(C)C[C@H](NCc1cc(Br)cs1)C(=O)OC ZINC000602734478 400557475 /nfs/dbraw/zinc/55/74/75/400557475.db2.gz ZLVVTDZFXWOTNR-NSHDSACASA-N 0 0 318.236 3.108 10 30 DGEERN C=CCC[C@@H](C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1)c1ccccc1 ZINC000618273667 400557445 /nfs/dbraw/zinc/55/74/45/400557445.db2.gz FVQAOGVLZQYXCB-ATLSCFEFSA-N 0 0 301.430 3.212 10 30 DGEERN C=C(C)C[C@H](N[C@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OC ZINC000602735317 400558841 /nfs/dbraw/zinc/55/88/41/400558841.db2.gz UTYXXOWWROHXDH-PVAVHDDUSA-N 0 0 302.418 3.205 10 30 DGEERN C=C(C)C[C@H](N[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739048 400559770 /nfs/dbraw/zinc/55/97/70/400559770.db2.gz PHBUILLZARXBPV-LIRZEXBASA-N 0 0 317.429 3.285 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@H](CC)C(=O)OC ZINC000592256343 400629337 /nfs/dbraw/zinc/62/93/37/400629337.db2.gz CGGXBAVDDJQLBK-CYBMUJFWSA-N 0 0 304.390 3.126 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603115622 400643578 /nfs/dbraw/zinc/64/35/78/400643578.db2.gz ZAEGKMZGEQFWJN-BYCMXARLSA-N 0 0 302.374 3.049 10 30 DGEERN C=CCCN(Cc1ccccc1)C(=O)C(=C)CCC(=O)OC ZINC000136559992 400591514 /nfs/dbraw/zinc/59/15/14/400591514.db2.gz HQBMKNRMOUIXTM-UHFFFAOYSA-N 0 0 301.386 3.101 10 30 DGEERN C=CCOCCCNC(=O)COc1ccccc1C(C)(C)C ZINC000618516730 400609389 /nfs/dbraw/zinc/60/93/89/400609389.db2.gz FFMUBCZKLFVAAO-UHFFFAOYSA-N 0 0 305.418 3.072 10 30 DGEERN C=CCOCCCNC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000618526031 400611273 /nfs/dbraw/zinc/61/12/73/400611273.db2.gz LJBANARQZTUYDT-UHFFFAOYSA-N 0 0 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ZINC000620306763 401051727 /nfs/dbraw/zinc/05/17/27/401051727.db2.gz QEXDWSJDDWWITB-IYBDPMFKSA-N 0 0 322.412 3.357 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(F)F)nc1 ZINC000620306749 401051824 /nfs/dbraw/zinc/05/18/24/401051824.db2.gz PFYKWZSLHNHMDN-BETUJISGSA-N 0 0 308.328 3.049 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)onc1-c1ccccn1 ZINC000620306704 401051864 /nfs/dbraw/zinc/05/18/64/401051864.db2.gz NTJBNSCHQZGACN-OKILXGFUSA-N 0 0 309.369 3.368 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(C)c(-c3cnn(C)c3)c2)C1 ZINC000633672243 401053758 /nfs/dbraw/zinc/05/37/58/401053758.db2.gz NKMPWJJFDUXKLI-OAHLLOKOSA-N 0 0 309.413 3.434 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(-c2ccco2)oc1C ZINC000620309989 401053894 /nfs/dbraw/zinc/05/38/94/401053894.db2.gz HOKYUFBPBTZNMS-OKILXGFUSA-N 0 0 312.369 3.495 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000620310255 401054164 /nfs/dbraw/zinc/05/41/64/401054164.db2.gz KAHMHWGZYSHYQL-BHYGNILZSA-N 0 0 318.461 3.171 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000620315165 401054942 /nfs/dbraw/zinc/05/49/42/401054942.db2.gz ZRDBDWCDTHHGPX-IYBDPMFKSA-N 0 0 311.360 3.335 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000629719447 401058300 /nfs/dbraw/zinc/05/83/00/401058300.db2.gz CQRHMEGHQSHGOX-DZGCQCFKSA-N 0 0 321.392 3.131 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000607419408 401062018 /nfs/dbraw/zinc/06/20/18/401062018.db2.gz SRSLIPGJRGBZCK-QGZVFWFLSA-N 0 0 312.417 3.232 10 30 DGEERN O=C(NCC#Cc1ccccc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000607454730 401067156 /nfs/dbraw/zinc/06/71/56/401067156.db2.gz XJJVENWASDMYPJ-RDJZCZTQSA-N 0 0 311.331 3.236 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000081548400 401077496 /nfs/dbraw/zinc/07/74/96/401077496.db2.gz IWXMMZSZQYXEFP-UHFFFAOYSA-N 0 0 311.385 3.465 10 30 DGEERN C=CCC1(C(=O)NC[C@H](OC)C2CCCCC2)CCOCC1 ZINC000620381393 401080262 /nfs/dbraw/zinc/08/02/62/401080262.db2.gz 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/nfs/dbraw/zinc/10/81/53/401108153.db2.gz GAESUHDCNYCLTC-NSHDSACASA-N 0 0 319.348 3.292 10 30 DGEERN C=CCCn1cc(CSCCc2noc3ccccc32)nn1 ZINC000594563203 401112183 /nfs/dbraw/zinc/11/21/83/401112183.db2.gz ZNDUKLZWZMGAPU-UHFFFAOYSA-N 0 0 314.414 3.471 10 30 DGEERN C=CCCn1cc(CSCc2cccc(C(C)=O)c2)nn1 ZINC000594560275 401112524 /nfs/dbraw/zinc/11/25/24/401112524.db2.gz VAZIAJVVRLECSY-UHFFFAOYSA-N 0 0 301.415 3.490 10 30 DGEERN C=CCCn1cc(CSCc2ccccc2[N+](=O)[O-])nn1 ZINC000594564704 401113820 /nfs/dbraw/zinc/11/38/20/401113820.db2.gz ALIBSYUTFAJODH-UHFFFAOYSA-N 0 0 304.375 3.196 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000621185378 401114217 /nfs/dbraw/zinc/11/42/17/401114217.db2.gz NSSYZDHTIXUZTL-AUUYWEPGSA-N 0 0 317.429 3.418 10 30 DGEERN C[C@]12CC[C@@H]3c4ccc(O)c(C=C=O)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000263584038 401121174 /nfs/dbraw/zinc/12/11/74/401121174.db2.gz IOISSRSIPNQMDX-VCNAKFCDSA-N 0 0 312.409 3.291 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cscc1Br ZINC000615736385 401146327 /nfs/dbraw/zinc/14/63/27/401146327.db2.gz VRDQJFMFPIBWLW-XCBNKYQSSA-N 0 0 302.193 3.040 10 30 DGEERN C=CCOCC(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000633847706 401133271 /nfs/dbraw/zinc/13/32/71/401133271.db2.gz IWSZMBZSAOMTAD-GOSISDBHSA-N 0 0 310.397 3.074 10 30 DGEERN CCc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc(C)n1 ZINC000272899246 401139191 /nfs/dbraw/zinc/13/91/91/401139191.db2.gz PCIGSWXFZUZMTH-UHFFFAOYSA-N 0 0 322.412 3.267 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@H]2CCCC23CC3)c(OC)c1 ZINC000633766387 401093153 /nfs/dbraw/zinc/09/31/53/401093153.db2.gz BRKSSOSWYXMOSO-KRWDZBQOSA-N 0 0 315.413 3.251 10 30 DGEERN N#C[C@@]1(F)CCN(C(=O)NCCc2cccc3ccccc32)C1 ZINC000615531798 401098771 /nfs/dbraw/zinc/09/87/71/401098771.db2.gz PWJGDDVMEUUFNI-SFHVURJKSA-N 0 0 311.360 3.029 10 30 DGEERN C/C(=C/c1cc2n(n1)CCC2)c1nc2ccccc2n1CC#N ZINC000594695311 401152849 /nfs/dbraw/zinc/15/28/49/401152849.db2.gz DLJDBIDNIXJUCS-QBFSEMIESA-N 0 0 303.369 3.263 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000633963073 401166607 /nfs/dbraw/zinc/16/66/07/401166607.db2.gz DLFDROLFULQGRE-UHFFFAOYSA-N 0 0 323.458 3.121 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cnn(C)c1C(F)(F)F ZINC000633963070 401166774 /nfs/dbraw/zinc/16/67/74/401166774.db2.gz DJEYOSJAEDJBMD-UHFFFAOYSA-N 0 0 303.328 3.161 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cnn(CC(F)(F)F)c1 ZINC000633964896 401167840 /nfs/dbraw/zinc/16/78/40/401167840.db2.gz GFNICIPSCCAFJO-UHFFFAOYSA-N 0 0 303.328 3.168 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000633965092 401167846 /nfs/dbraw/zinc/16/78/46/401167846.db2.gz XRDHSIRBRCFAQR-UHFFFAOYSA-N 0 0 308.447 3.106 10 30 DGEERN C=CCCC(C)(C)CNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000633964997 401168317 /nfs/dbraw/zinc/16/83/17/401168317.db2.gz VKFCNQVEQWHWRD-UHFFFAOYSA-N 0 0 317.389 3.371 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000633966532 401169197 /nfs/dbraw/zinc/16/91/97/401169197.db2.gz OONIWCKGNVOTCC-CVEARBPZSA-N 0 0 302.418 3.268 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Cc1c(CC)nn(C)c1CC ZINC000633965675 401169466 /nfs/dbraw/zinc/16/94/66/401169466.db2.gz ZGDAXPCWOQGFNE-UHFFFAOYSA-N 0 0 305.466 3.196 10 30 DGEERN N#Cc1cc(CNc2ccc(Br)c(F)c2)ccn1 ZINC000088083917 401193213 /nfs/dbraw/zinc/19/32/13/401193213.db2.gz IAVMXAUSMKGWAM-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600165268 401204124 /nfs/dbraw/zinc/20/41/24/401204124.db2.gz QDHMALFANMYZMO-UHFFFAOYSA-N 0 0 301.346 3.408 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000600168961 401205517 /nfs/dbraw/zinc/20/55/17/401205517.db2.gz CCTIKRIIAPPZMT-UONOGXRCSA-N 0 0 309.450 3.463 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000600169959 401207031 /nfs/dbraw/zinc/20/70/31/401207031.db2.gz HUCYGYKUSDMLAH-UHFFFAOYSA-N 0 0 308.385 3.076 10 30 DGEERN C=CC[C@@H](C(=O)N1CCO[C@@H](C(F)F)CC1)c1ccccc1 ZINC000634163271 401223314 /nfs/dbraw/zinc/22/33/14/401223314.db2.gz VZRAMWZIILJDLK-HUUCEWRRSA-N 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/nfs/dbraw/zinc/27/99/83/401279983.db2.gz SMMFNXGVJIGTKZ-ZDUSSCGKSA-N 0 0 311.341 3.096 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(O[C@@H](C)CC)c2)C1=O ZINC000630505372 401280072 /nfs/dbraw/zinc/28/00/72/401280072.db2.gz PQAILAYKEZMCMY-SWLSCSKDSA-N 0 0 302.374 3.255 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2cc(C)n(C3CCCCC3)n2)C1=O ZINC000630521987 401281935 /nfs/dbraw/zinc/28/19/35/401281935.db2.gz UWQWVIQZGZTJJA-CQSZACIVSA-N 0 0 316.405 3.088 10 30 DGEERN C=C(C)C(C)(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000600349586 401239668 /nfs/dbraw/zinc/23/96/68/401239668.db2.gz QSPDHZZATQGMJJ-NSHDSACASA-N 0 0 323.364 3.307 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000626220146 401325343 /nfs/dbraw/zinc/32/53/43/401325343.db2.gz GVTUZDQIIBOPMR-UHFFFAOYSA-N 0 0 303.406 3.112 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)C1 ZINC000630786887 401328222 /nfs/dbraw/zinc/32/82/22/401328222.db2.gz FXHOSVZNHXIGOO-UHFFFAOYSA-N 0 0 322.430 3.051 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000626249895 401329271 /nfs/dbraw/zinc/32/92/71/401329271.db2.gz OJZFNEGGLOHGDK-UHFFFAOYSA-N 0 0 303.406 3.112 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)NC)ccc2Cl)C1 ZINC000626289691 401335695 /nfs/dbraw/zinc/33/56/95/401335695.db2.gz IEMNTFBYWRHICU-LLVKDONJSA-N 0 0 321.808 3.130 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)C1 ZINC000626310122 401338627 /nfs/dbraw/zinc/33/86/27/401338627.db2.gz XWXOJOBNAQAWRJ-NSHDSACASA-N 0 0 321.808 3.130 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)n1cc(-c2cn(C)nc2C)nn1 ZINC000630591424 401293429 /nfs/dbraw/zinc/29/34/29/401293429.db2.gz BDFOOYMTUJSULF-INIZCTEOSA-N 0 0 307.401 3.347 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)C1 ZINC000626428039 401355729 /nfs/dbraw/zinc/35/57/29/401355729.db2.gz QMLOCBDDSVWBEA-AWEZNQCLSA-N 0 0 315.417 3.127 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2ccnn2CC2CCC2)cc1 ZINC000630954227 401359196 /nfs/dbraw/zinc/35/91/96/401359196.db2.gz HKUBDFGMZFNGJC-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/66/24/53/401662453.db2.gz RMSRARGHASPMIH-NEPJUHHUSA-N 0 0 322.371 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H]1c1cn(C)nc1C ZINC000624465260 401662828 /nfs/dbraw/zinc/66/28/28/401662828.db2.gz JLRCTBXFCYOYJX-OAHLLOKOSA-N 0 0 304.438 3.177 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000624464979 401663127 /nfs/dbraw/zinc/66/31/27/401663127.db2.gz YGHYOFFTQFDMGP-CYBMUJFWSA-N 0 0 308.447 3.433 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@H](CCO)c1ccccc1 ZINC000624465352 401663140 /nfs/dbraw/zinc/66/31/40/401663140.db2.gz NEJWOSRUVFVTNX-INIZCTEOSA-N 0 0 304.434 3.054 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)C1 ZINC000633355706 401675821 /nfs/dbraw/zinc/67/58/21/401675821.db2.gz ZCKUAOPFEQHZFQ-LBPRGKRZSA-N 0 0 313.401 3.193 10 30 DGEERN C[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H](C)O1 ZINC000408328225 165954077 /nfs/dbraw/zinc/95/40/77/165954077.db2.gz INUSCDIOPKZJEX-KBPBESRZSA-N 0 0 324.428 3.098 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1CCCCC1 ZINC000078371044 164562279 /nfs/dbraw/zinc/56/22/79/164562279.db2.gz SLFIZMIAKZRKEM-CQSZACIVSA-N 0 0 300.402 3.364 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)n1 ZINC000177501863 164808238 /nfs/dbraw/zinc/80/82/38/164808238.db2.gz MEOBHOROUSHSSA-GFCCVEGCSA-N 0 0 317.439 3.405 10 30 DGEERN Cc1scc(C(=O)NCCOc2ccc(C#N)cc2)c1C ZINC000179944805 164870070 /nfs/dbraw/zinc/87/00/70/164870070.db2.gz ZNLHPQOXGMICIP-UHFFFAOYSA-N 0 0 300.383 3.045 10 30 DGEERN CC(C)[C@@H]1C[C@@H]1C(=O)NCCSCc1ccccc1C#N ZINC000184967704 164989655 /nfs/dbraw/zinc/98/96/55/164989655.db2.gz OHLRLAYANHFCAX-HOTGVXAUSA-N 0 0 302.443 3.200 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)o1 ZINC000185646559 165010841 /nfs/dbraw/zinc/01/08/41/165010841.db2.gz NYJBEDVLAUKGSR-INIZCTEOSA-N 0 0 302.761 3.378 10 30 DGEERN Cc1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)c(C)n1 ZINC000186444021 165043114 /nfs/dbraw/zinc/04/31/14/165043114.db2.gz KUWFJBRVAYCCHL-UHFFFAOYSA-N 0 0 324.403 3.031 10 30 DGEERN CCO[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCC2 ZINC000187349366 165087099 /nfs/dbraw/zinc/08/70/99/165087099.db2.gz FZWXROQNBKPRII-IRXDYDNUSA-N 0 0 324.424 3.054 10 30 DGEERN Cc1noc(C)c1[C@H](C)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188874001 165141280 /nfs/dbraw/zinc/14/12/80/165141280.db2.gz BTTUDCLYMIEERK-GFCCVEGCSA-N 0 0 323.396 3.115 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCc4cc(F)ccc4C3)CC2)cc1 ZINC000188985112 165144604 /nfs/dbraw/zinc/14/46/04/165144604.db2.gz JBPZMEBPCWVEDV-UHFFFAOYSA-N 0 0 320.367 3.314 10 30 DGEERN COc1cc(F)cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188986732 165145156 /nfs/dbraw/zinc/14/51/56/165145156.db2.gz BNASFJPSHCPSFG-UHFFFAOYSA-N 0 0 324.355 3.054 10 30 DGEERN CC1(C)CN(C(=O)c2cc(C#N)cs2)CC2(CCCC2)O1 ZINC000189385746 165159692 /nfs/dbraw/zinc/15/96/92/165159692.db2.gz AZNWJWMXEKTFJF-UHFFFAOYSA-N 0 0 304.415 3.184 10 30 DGEERN N#Cc1ccc(COc2ccc(N3CCCC3=O)cc2)cc1F ZINC000189983883 165184680 /nfs/dbraw/zinc/18/46/80/165184680.db2.gz PNJMPIZXFDRDEM-UHFFFAOYSA-N 0 0 310.328 3.403 10 30 DGEERN COc1cccc(OC)c1[S@](=O)Cc1ccc(C#N)c(F)c1 ZINC000191202103 165236234 /nfs/dbraw/zinc/23/62/34/165236234.db2.gz DHDVHQFUGSYZQG-JOCHJYFZSA-N 0 0 319.357 3.022 10 30 DGEERN N#Cc1cc(C(=O)NCc2csc(-c3ccccc3)n2)ccn1 ZINC000192474179 165293019 /nfs/dbraw/zinc/29/30/19/165293019.db2.gz VXZLNZWZZHJKTP-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN CN(C(=O)c1ccnc(C#N)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000193152004 165318890 /nfs/dbraw/zinc/31/88/90/165318890.db2.gz PPKRLMUPRPLTCN-AWEZNQCLSA-N 0 0 319.286 3.329 10 30 DGEERN N#Cc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)ccn1 ZINC000193321488 165322335 /nfs/dbraw/zinc/32/23/35/165322335.db2.gz OIYQHNWKYIBAEX-UHFFFAOYSA-N 0 0 311.772 3.068 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)ccn1 ZINC000193693379 165329451 /nfs/dbraw/zinc/32/94/51/165329451.db2.gz OCVNVPXXJWNNIM-UHFFFAOYSA-N 0 0 313.267 3.019 10 30 DGEERN N#Cc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000128696795 195984689 /nfs/dbraw/zinc/98/46/89/195984689.db2.gz IHUMZYCVLSUMRF-UHFFFAOYSA-N 0 0 323.327 3.076 10 30 DGEERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(C#N)cc1 ZINC000171617251 432152587 /nfs/dbraw/zinc/15/25/87/432152587.db2.gz XQWDYIXWEYUXMS-UHFFFAOYSA-N 0 0 322.412 3.118 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)N(CCC#N)Cc1ccccn1 ZINC000269271298 432156310 /nfs/dbraw/zinc/15/63/10/432156310.db2.gz GQBWGCIKOOXHOO-HNNXBMFYSA-N 0 0 315.417 3.109 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)N(CCC#N)Cc1ccccn1 ZINC000269271299 432156415 /nfs/dbraw/zinc/15/64/15/432156415.db2.gz GQBWGCIKOOXHOO-OAHLLOKOSA-N 0 0 315.417 3.109 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N[C@](C)(C#N)CCc2ccccc2)n1 ZINC000171835505 432178017 /nfs/dbraw/zinc/17/80/17/432178017.db2.gz WMVHEYGSIDYWOS-APWZRJJASA-N 0 0 324.428 3.092 10 30 DGEERN CC1(C)CN(C(=O)c2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000190675716 432181971 /nfs/dbraw/zinc/18/19/71/432181971.db2.gz PHYIXYFZOPXPHN-LBPRGKRZSA-N 0 0 311.307 3.004 10 30 DGEERN C=CCOCCCC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190705555 432183404 /nfs/dbraw/zinc/18/34/04/432183404.db2.gz QCLPTYUZKPMOPR-LBPRGKRZSA-N 0 0 307.356 3.406 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000129853776 196080956 /nfs/dbraw/zinc/08/09/56/196080956.db2.gz VDVJPMLCJZSVSV-GUYCJALGSA-N 0 0 306.365 3.161 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000172214318 432203607 /nfs/dbraw/zinc/20/36/07/432203607.db2.gz VCHHZBUCAQXFCV-LLVKDONJSA-N 0 0 303.412 3.444 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2cnn(CCC(F)(F)F)c2)c1 ZINC000182603740 432210765 /nfs/dbraw/zinc/21/07/65/432210765.db2.gz LVFTYENOUIGYSF-UHFFFAOYSA-N 0 0 321.302 3.093 10 30 DGEERN COc1ccc2cccc(CC(=O)NC3(C#N)CCCC3)c2c1 ZINC000153065955 227082431 /nfs/dbraw/zinc/08/24/31/227082431.db2.gz OZRZNZYVAXQTIF-UHFFFAOYSA-N 0 0 308.381 3.343 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCOc1ccc(Cl)cc1 ZINC000159753243 228243779 /nfs/dbraw/zinc/24/37/79/228243779.db2.gz SCJOZWZGRSQFJU-UHFFFAOYSA-N 0 0 314.772 3.329 10 30 DGEERN N#CCSc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000175702400 228304315 /nfs/dbraw/zinc/30/43/15/228304315.db2.gz QOOOLDNMUUSQTH-OAHLLOKOSA-N 0 0 310.378 3.166 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000176689940 228317869 /nfs/dbraw/zinc/31/78/69/228317869.db2.gz BJLAVGPGBJKGAB-UHFFFAOYSA-N 0 0 306.325 3.168 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000176780559 228319406 /nfs/dbraw/zinc/31/94/06/228319406.db2.gz UCVCWEDEZACADO-UHFFFAOYSA-N 0 0 318.336 3.336 10 30 DGEERN C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCCC1 ZINC000178172755 228337564 /nfs/dbraw/zinc/33/75/64/228337564.db2.gz NFDYNAXALSWLHZ-ZDUSSCGKSA-N 0 0 300.402 3.411 10 30 DGEERN Cc1sc(C(=O)Nc2cccc(C#N)c2C)cc1[N+](=O)[O-] ZINC000178370219 228339919 /nfs/dbraw/zinc/33/99/19/228339919.db2.gz ZSWXWTDAOZYATL-UHFFFAOYSA-N 0 0 301.327 3.397 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000178538484 228342931 /nfs/dbraw/zinc/34/29/31/228342931.db2.gz WJEGPQOIPHCHLU-UHFFFAOYSA-N 0 0 303.365 3.321 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)NCCCc1ccccn1 ZINC000180047649 228354401 /nfs/dbraw/zinc/35/44/01/228354401.db2.gz QBWBVVUDASFZKR-CQSZACIVSA-N 0 0 324.384 3.127 10 30 DGEERN C[C@@H](C#N)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000181972740 228364763 /nfs/dbraw/zinc/36/47/63/228364763.db2.gz FHFWMVFNAYXBTN-ZDUSSCGKSA-N 0 0 307.438 3.010 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1CN(CCC#N)Cc1ccccn1 ZINC000183330113 228372615 /nfs/dbraw/zinc/37/26/15/228372615.db2.gz AWWMPRSXGXLLMN-UHFFFAOYSA-N 0 0 310.357 3.214 10 30 DGEERN O=C1CSC(=Nc2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000254903326 228638887 /nfs/dbraw/zinc/63/88/87/228638887.db2.gz ULANVUCKABVYJP-UHFFFAOYSA-N 0 0 317.801 3.498 10 30 DGEERN C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328922069 228920632 /nfs/dbraw/zinc/92/06/32/228920632.db2.gz UGYTULJAPLYMFP-NVBFEUDRSA-N 0 0 319.430 3.416 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@H]1CCCc2ccc(F)cc21 ZINC000330000649 228970964 /nfs/dbraw/zinc/97/09/64/228970964.db2.gz WUVRGYULMYTVNC-GVDBMIGSSA-N 0 0 318.392 3.274 10 30 DGEERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC000330168650 228979026 /nfs/dbraw/zinc/97/90/26/228979026.db2.gz WLMRCRBNNLSNLE-DGCLKSJQSA-N 0 0 300.362 3.087 10 30 DGEERN NC(=O)C1CCC(NC(=O)c2coc(Br)c2)CC1 ZINC000330668350 228999210 /nfs/dbraw/zinc/99/92/10/228999210.db2.gz UHEVEHFDVLIRTA-UHFFFAOYSA-N 0 0 315.167 3.441 10 30 DGEERN COCC1(c2noc([C@@]3(C#N)CC34CCCC4)n2)CCCC1 ZINC000333641144 229038977 /nfs/dbraw/zinc/03/89/77/229038977.db2.gz CCNDJKQMWNUAAQ-KRWDZBQOSA-N 0 0 301.390 3.253 10 30 DGEERN N#C[C@]1(C(=O)N2CCO[C@@H](C3CCCCC3)C2)CC12CCCC2 ZINC000333668419 229038999 /nfs/dbraw/zinc/03/89/99/229038999.db2.gz IKGOMRUGBFIMMX-APWZRJJASA-N 0 0 316.445 3.268 10 30 DGEERN CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CC#N ZINC000358731665 229365505 /nfs/dbraw/zinc/36/55/05/229365505.db2.gz HIBKSMZNRJNFEA-ZDUSSCGKSA-N 0 0 322.416 3.195 10 30 DGEERN N#CCCCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000359911160 229385762 /nfs/dbraw/zinc/38/57/62/229385762.db2.gz KWHQNMAODHWRQR-UHFFFAOYSA-N 0 0 323.400 3.304 10 30 DGEERN C[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)c1cccs1 ZINC000366216435 229469566 /nfs/dbraw/zinc/46/95/66/229469566.db2.gz MGHWLBHOZFEGSF-YSVLISHTSA-N 0 0 318.442 3.305 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2ccc(F)cc21 ZINC000194606258 263816273 /nfs/dbraw/zinc/81/62/73/263816273.db2.gz GFTDNJVXILCPQE-CYBMUJFWSA-N 0 0 324.355 3.444 10 30 DGEERN N#Cc1cccc(CC(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000530670185 269971768 /nfs/dbraw/zinc/97/17/68/269971768.db2.gz NJWUIGIWVFAJPO-UHFFFAOYSA-N 0 0 308.356 3.431 10 30 DGEERN N#Cc1ccc(CCC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000110443076 270003589 /nfs/dbraw/zinc/00/35/89/270003589.db2.gz IYMZNCNWDFOTOF-OALUTQOASA-N 0 0 304.393 3.411 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000357427813 270003845 /nfs/dbraw/zinc/00/38/45/270003845.db2.gz QDHSKCNRUIGVPX-UHFFFAOYSA-N 0 0 306.152 3.441 10 30 DGEERN N#Cc1ccnc(NC(=O)CSc2ccccc2Cl)c1 ZINC000357418065 270003867 /nfs/dbraw/zinc/00/38/67/270003867.db2.gz YQJOMSZCNWPVBY-UHFFFAOYSA-N 0 0 303.774 3.337 10 30 DGEERN COc1cccc2c1CCCCN2C(=O)Cc1cccc(C#N)c1 ZINC000533588490 270004975 /nfs/dbraw/zinc/00/49/75/270004975.db2.gz PAUPWRLOYVTPTH-UHFFFAOYSA-N 0 0 320.392 3.479 10 30 DGEERN N#Cc1csc(CN[C@H]2CCSc3ccc(F)cc32)n1 ZINC000352836751 265188770 /nfs/dbraw/zinc/18/87/70/265188770.db2.gz XJNADGIVECBGTE-LBPRGKRZSA-N 0 0 305.403 3.481 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000626445875 424813073 /nfs/dbraw/zinc/81/30/73/424813073.db2.gz SDQQRPLXKKXLEA-MRVPVSSYSA-N 0 0 320.340 3.073 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@]2(C)COc3ccccc3O2)c1 ZINC000528075692 266844914 /nfs/dbraw/zinc/84/49/14/266844914.db2.gz BQKVXVYDHZEILX-LJQANCHMSA-N 0 0 322.364 3.403 10 30 DGEERN CCO[C@H](CCNC(=O)Cc1cccc(C#N)c1)C1CCCC1 ZINC000530915725 267155440 /nfs/dbraw/zinc/15/54/40/267155440.db2.gz WOZBBRPBPWUDAH-GOSISDBHSA-N 0 0 314.429 3.202 10 30 DGEERN CN(CCCCNC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000531384385 267305533 /nfs/dbraw/zinc/30/55/33/267305533.db2.gz LIUHETXLZIBHAL-UHFFFAOYSA-N 0 0 321.424 3.134 10 30 DGEERN COc1ccc([C@H](C)CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530915238 267641504 /nfs/dbraw/zinc/64/15/04/267641504.db2.gz RWBGDRFHBQFSAG-OAHLLOKOSA-N 0 0 322.408 3.419 10 30 DGEERN Cc1nc(C(C)(C)NC(=O)Cc2cccc(C#N)c2)sc1C ZINC000531154167 268072897 /nfs/dbraw/zinc/07/28/97/268072897.db2.gz RCOLNHAHLQMMBB-UHFFFAOYSA-N 0 0 313.426 3.226 10 30 DGEERN Cc1nnc(-c2cccc(NC(=O)Cc3cccc(C#N)c3)c2)o1 ZINC000530914138 268093526 /nfs/dbraw/zinc/09/35/26/268093526.db2.gz NBLJIDIHZZVHHU-UHFFFAOYSA-N 0 0 318.336 3.098 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000517214130 268204168 /nfs/dbraw/zinc/20/41/68/268204168.db2.gz AHNARCMTEVSOAN-CTYIDZIISA-N 0 0 311.772 3.283 10 30 DGEERN N#Cc1cccc(CCNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000359945504 268245695 /nfs/dbraw/zinc/24/56/95/268245695.db2.gz GABWSOLPUDRYMW-UHFFFAOYSA-N 0 0 302.721 3.169 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000527267138 268276662 /nfs/dbraw/zinc/27/66/62/268276662.db2.gz UFLNJMGFCVMQGS-GOSISDBHSA-N 0 0 308.356 3.434 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000531843278 268277448 /nfs/dbraw/zinc/27/74/48/268277448.db2.gz GGLGKNDSRCZFEK-UHFFFAOYSA-N 0 0 320.270 3.480 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000531148831 268278924 /nfs/dbraw/zinc/27/89/24/268278924.db2.gz STUDGQJKWGKLJP-UHFFFAOYSA-N 0 0 305.381 3.340 10 30 DGEERN N#Cc1ccsc1C(=O)NC1CC(OCc2ccccc2)C1 ZINC000372062270 268302595 /nfs/dbraw/zinc/30/25/95/268302595.db2.gz GDSHBOOPXFSMKK-UHFFFAOYSA-N 0 0 312.394 3.097 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)Cc1cnc2ccccc2c1 ZINC000191381623 432258470 /nfs/dbraw/zinc/25/84/70/432258470.db2.gz CLEZLJIFSFHUFZ-UHFFFAOYSA-N 0 0 305.312 3.427 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@H]3CCC[C@H]3C#N)sc2C1 ZINC000408232493 287828875 /nfs/dbraw/zinc/82/88/75/287828875.db2.gz OPQVJIVUCQTRFA-VWYCJHECSA-N 0 0 304.419 3.082 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@@H](CC(C)C)N(C)C1=O ZINC000420097523 275749128 /nfs/dbraw/zinc/74/91/28/275749128.db2.gz CITILVLFICQXQM-IAGOWNOFSA-N 0 0 314.429 3.483 10 30 DGEERN CC(C)COC1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274321029 275896954 /nfs/dbraw/zinc/89/69/54/275896954.db2.gz KJWUBVNHCCZJJZ-UHFFFAOYSA-N 0 0 303.362 3.108 10 30 DGEERN N#Cc1cnccc1Sc1nnc(NCc2ccco2)s1 ZINC000545240257 430310145 /nfs/dbraw/zinc/31/01/45/430310145.db2.gz JUQVLWYCVFJWFY-UHFFFAOYSA-N 0 0 315.383 3.161 10 30 DGEERN C=CC[C@H](CO)CNc1nnc(-c2ccccc2Cl)s1 ZINC000545472721 430322896 /nfs/dbraw/zinc/32/28/96/430322896.db2.gz XXCWRDGYZVEKDZ-JTQLQIEISA-N 0 0 309.822 3.455 10 30 DGEERN CC(=O)NC1(C(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)CCCCC1 ZINC000329428491 277732901 /nfs/dbraw/zinc/73/29/01/277732901.db2.gz GQACQWWLXJIXCO-CRAIPNDOSA-N 0 0 322.449 3.082 10 30 DGEERN CO[C@H]1CN(c2c(C#N)cnc3c(C)cc(F)cc32)CC[C@H]1C ZINC000302568950 277749873 /nfs/dbraw/zinc/74/98/73/277749873.db2.gz PVUFOWJASQJXST-BZNIZROVSA-N 0 0 313.376 3.415 10 30 DGEERN C=C(C)CS(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000370461983 277778023 /nfs/dbraw/zinc/77/80/23/277778023.db2.gz QYZMPBYGGAWXOA-MRXNPFEDSA-N 0 0 322.474 3.323 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCCCC[C@@H]1C ZINC000359110140 277786769 /nfs/dbraw/zinc/78/67/69/277786769.db2.gz XYXRHPSQHOJZFL-LSDHHAIUSA-N 0 0 304.438 3.127 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000469538070 277808321 /nfs/dbraw/zinc/80/83/21/277808321.db2.gz QGSAUPQJMXKRCH-QKPAOTATSA-N 0 0 309.450 3.068 10 30 DGEERN C[C@@H](Nc1cc(C#N)c2ccccc2n1)C(=O)N1CCCC[C@H]1C ZINC000609892768 430563571 /nfs/dbraw/zinc/56/35/71/430563571.db2.gz XXVOOMURAAVURU-ZIAGYGMSSA-N 0 0 322.412 3.308 10 30 DGEERN C=CCN(C)C(=O)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000410788836 277840400 /nfs/dbraw/zinc/84/04/00/277840400.db2.gz ZQLOYCGOZQUGGT-HNNXBMFYSA-N 0 0 320.820 3.038 10 30 DGEERN C=CCn1c(N2CCCC[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453435729 277893719 /nfs/dbraw/zinc/89/37/19/277893719.db2.gz GYNKRSZNCLJQSI-RHSMWYFYSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2CCCCC[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453442377 277893720 /nfs/dbraw/zinc/89/37/20/277893720.db2.gz PHLCVFIFHNXIEM-YOEHRIQHSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCCCC[C@H]1C ZINC000453435181 277895619 /nfs/dbraw/zinc/89/56/19/277895619.db2.gz GJRLNXUJQXPPFQ-HUUCEWRRSA-N 0 0 304.438 3.475 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000455428576 277902893 /nfs/dbraw/zinc/90/28/93/277902893.db2.gz SHATYJINZQZRTG-LPWJVIDDSA-N 0 0 320.355 3.092 10 30 DGEERN C=CCNc1ncc(C(=O)NCC(F)(F)C(C)(C)C)s1 ZINC000622182037 430609142 /nfs/dbraw/zinc/60/91/42/430609142.db2.gz RSNZGVIELANPES-UHFFFAOYSA-N 0 0 303.378 3.152 10 30 DGEERN C=CCNc1ncc(C(=O)N(CCC2CC2)CC2CC2)s1 ZINC000622182235 430609186 /nfs/dbraw/zinc/60/91/86/430609186.db2.gz ZTEJLFIZQUYWGP-UHFFFAOYSA-N 0 0 305.447 3.393 10 30 DGEERN C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCS1 ZINC000171819594 278440366 /nfs/dbraw/zinc/44/03/66/278440366.db2.gz CPPJWNSIHDUGMY-VIFPVBQESA-N 0 0 305.353 3.326 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)c2c(n1)onc2C(C)C ZINC000435990275 278652923 /nfs/dbraw/zinc/65/29/23/278652923.db2.gz NUQZBZXSLLBORM-UHFFFAOYSA-N 0 0 321.340 3.174 10 30 DGEERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081547462 279002413 /nfs/dbraw/zinc/00/24/13/279002413.db2.gz LRJRZGOTBWZBSI-DOMZBBRYSA-N 0 0 311.360 3.054 10 30 DGEERN Cc1cnn(-c2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2)c1 ZINC000361947598 279029419 /nfs/dbraw/zinc/02/94/19/279029419.db2.gz LUGWTLXHXRYMLN-GOSISDBHSA-N 0 0 310.401 3.239 10 30 DGEERN Cc1nnccc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000330167838 279242845 /nfs/dbraw/zinc/24/28/45/279242845.db2.gz ZLFYXFUYYWKHHN-CQSZACIVSA-N 0 0 312.373 3.223 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncc(C#N)cc1Cl ZINC000108951386 431162044 /nfs/dbraw/zinc/16/20/44/431162044.db2.gz GNHLLOVVXHIBNM-CQSZACIVSA-N 0 0 315.808 3.299 10 30 DGEERN N#Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109085200 431170004 /nfs/dbraw/zinc/17/00/04/431170004.db2.gz CCOFVMMBAYSWCS-GJZGRUSLSA-N 0 0 312.319 3.256 10 30 DGEERN N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C1CC1 ZINC000108828245 431157396 /nfs/dbraw/zinc/15/73/96/431157396.db2.gz SGJSMMCAGSSIPX-CQSZACIVSA-N 0 0 313.426 3.427 10 30 DGEERN CC(C)(C)c1ccc(SCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108835058 431157472 /nfs/dbraw/zinc/15/74/72/431157472.db2.gz VSCHJJKCHOGXCV-HNNXBMFYSA-N 0 0 302.443 3.495 10 30 DGEERN N#C[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C1CC1 ZINC000108834229 431157893 /nfs/dbraw/zinc/15/78/93/431157893.db2.gz FFNSUUKXLVNOHP-LBPRGKRZSA-N 0 0 317.801 3.495 10 30 DGEERN N#C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C1CC1 ZINC000108842319 431160573 /nfs/dbraw/zinc/16/05/73/431160573.db2.gz QBJSZEAIXJFKAI-INIZCTEOSA-N 0 0 312.394 3.359 10 30 DGEERN COc1ccc(CC2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000112560145 431285671 /nfs/dbraw/zinc/28/56/71/431285671.db2.gz IFSOFIZYPYSLPB-GOSISDBHSA-N 0 0 311.429 3.393 10 30 DGEERN C=C[C@@H]1CC[C@H](O)[C@H](N(C)C(=S)Nc2ccccc2C)C1 ZINC000004644925 431300483 /nfs/dbraw/zinc/30/04/83/431300483.db2.gz PUUAMWUOMHYSEZ-BMFZPTHFSA-N 0 0 304.459 3.339 10 30 DGEERN CC1(C)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000072605146 431342509 /nfs/dbraw/zinc/34/25/09/431342509.db2.gz VIDHOQSWOUJBGH-UHFFFAOYSA-N 0 0 303.431 3.115 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1cccc(C(N)=O)c1 ZINC000073719610 431378551 /nfs/dbraw/zinc/37/85/51/431378551.db2.gz WVOFOIGZAHDSAK-UHFFFAOYSA-N 0 0 312.325 3.001 10 30 DGEERN N#CCCN(Cc1cccnc1)C(=O)c1cccc2ncccc21 ZINC000114682827 431403424 /nfs/dbraw/zinc/40/34/24/431403424.db2.gz QSTFOZVWSPYCOK-UHFFFAOYSA-N 0 0 316.364 3.186 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115219326 431441822 /nfs/dbraw/zinc/44/18/22/431441822.db2.gz FPSPZHIFNZTRMY-CQSZACIVSA-N 0 0 321.392 3.177 10 30 DGEERN CCSCC[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075380390 431472441 /nfs/dbraw/zinc/47/24/41/431472441.db2.gz OAMVTVJGROLWQS-ZIAGYGMSSA-N 0 0 320.458 3.316 10 30 DGEERN C[C@H]1CCC[C@@](C#N)(NC(=O)c2coc(Br)c2)C1 ZINC000116813592 431530531 /nfs/dbraw/zinc/53/05/31/431530531.db2.gz KJDDXLSICYLBAM-TVQRCGJNSA-N 0 0 311.179 3.244 10 30 DGEERN C=CC[C@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 ZINC000116855766 431532566 /nfs/dbraw/zinc/53/25/66/431532566.db2.gz VRZYMRXJTVGCPL-NSHDSACASA-N 0 0 317.414 3.365 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117576272 431569402 /nfs/dbraw/zinc/56/94/02/431569402.db2.gz QJAGQWBENZOHQZ-XIKOKIGWSA-N 0 0 323.348 3.427 10 30 DGEERN Cc1ccc(COc2ccc(-c3nnn(CCC#N)n3)cc2)cc1 ZINC000013744432 431570045 /nfs/dbraw/zinc/57/00/45/431570045.db2.gz VUSDBJFLQQARCA-UHFFFAOYSA-N 0 0 319.368 3.141 10 30 DGEERN C[C@]1(C(=O)Nc2ccn(CCC#N)n2)CCCc2ccccc21 ZINC000117711657 431573963 /nfs/dbraw/zinc/57/39/63/431573963.db2.gz HKIOUYAJGNVSLF-SFHVURJKSA-N 0 0 308.385 3.029 10 30 DGEERN Cc1csc([C@@H]2CN([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000118395900 431603398 /nfs/dbraw/zinc/60/33/98/431603398.db2.gz PPHMQSGYABNRFZ-BBRMVZONSA-N 0 0 313.426 3.458 10 30 DGEERN C[C@H](Sc1nnnn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000118171445 431591313 /nfs/dbraw/zinc/59/13/13/431591313.db2.gz UYLLVSAXDCCOIW-LBPRGKRZSA-N 0 0 307.382 3.387 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccccc1OC(F)F ZINC000118214954 431591883 /nfs/dbraw/zinc/59/18/83/431591883.db2.gz VPPADUADUOZXKO-UHFFFAOYSA-N 0 0 323.261 3.407 10 30 DGEERN Oc1cccc(C=NN2CC(c3ccccc3)=NC2=S)c1O ZINC000006211037 280453787 /nfs/dbraw/zinc/45/37/87/280453787.db2.gz VNQZEXCFCKAYJW-RQZCQDPDSA-N 0 0 311.366 3.132 10 30 DGEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 ZINC000078188340 431647206 /nfs/dbraw/zinc/64/72/06/431647206.db2.gz ISVQCSAMSMGRME-GDBMZVCRSA-N 0 0 312.413 3.484 10 30 DGEERN N#CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCCC1 ZINC000078208323 431648634 /nfs/dbraw/zinc/64/86/34/431648634.db2.gz FSVNQLCDWJOVCQ-UHFFFAOYSA-N 0 0 316.788 3.411 10 30 DGEERN Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccccc3C#N)cc2o1 ZINC000078359510 431664343 /nfs/dbraw/zinc/66/43/43/431664343.db2.gz RTYCSXZCTCXMRQ-NSHDSACASA-N 0 0 321.336 3.414 10 30 DGEERN COc1cccc([C@H]2CN(Cc3ccc(C#N)cc3)CCO2)c1 ZINC000119313004 431676445 /nfs/dbraw/zinc/67/64/45/431676445.db2.gz PVDNFBSIRJTJFP-LJQANCHMSA-N 0 0 308.381 3.140 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000029789867 431729147 /nfs/dbraw/zinc/72/91/47/431729147.db2.gz XEKQYFVZYDYYLO-WMLDXEAASA-N 0 0 321.380 3.084 10 30 DGEERN N#CC1(NC(=O)CCc2ncc(-c3ccccc3)o2)CCCC1 ZINC000120864159 431736643 /nfs/dbraw/zinc/73/66/43/431736643.db2.gz ZZFPPNOZHNEZIH-UHFFFAOYSA-N 0 0 309.369 3.227 10 30 DGEERN Cc1cc(Oc2cnn(C)c2)n2c3ccccc3nc2c1C#N ZINC000302300594 280641116 /nfs/dbraw/zinc/64/11/16/280641116.db2.gz MZEISDNLVHPRKH-UHFFFAOYSA-N 0 0 303.325 3.193 10 30 DGEERN CC(C)(C)c1ccccc1OCC(=O)NC1(C#N)CCCC1 ZINC000122026512 431811039 /nfs/dbraw/zinc/81/10/39/431811039.db2.gz ZWBCTUAUERPFMD-UHFFFAOYSA-N 0 0 300.402 3.315 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000080938521 431777650 /nfs/dbraw/zinc/77/76/50/431777650.db2.gz XHTQNTZWPZFPRI-UHFFFAOYSA-N 0 0 315.376 3.416 10 30 DGEERN Cc1ccc(Br)cc1NC(=O)c1cc(C#N)cn1C ZINC000081030104 431781385 /nfs/dbraw/zinc/78/13/85/431781385.db2.gz DRRKTHXPGYDXNS-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN Cc1ccc(Br)cc1C(=O)NC1(C#N)CCCC1 ZINC000087742570 431855256 /nfs/dbraw/zinc/85/52/56/431855256.db2.gz OGEBVFQIFMMCPI-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN CCOc1cc(CNC(=O)c2ccc(C#N)cc2C)ccc1OC ZINC000123154918 431856832 /nfs/dbraw/zinc/85/68/32/431856832.db2.gz OSROIXBRUHJTRY-UHFFFAOYSA-N 0 0 324.380 3.204 10 30 DGEERN C#CCOc1ccc(CN2CCc3c(nc(C(C)C)n3C)C2)cc1 ZINC000123326753 431861543 /nfs/dbraw/zinc/86/15/43/431861543.db2.gz VWEKRXDLHJUWLX-UHFFFAOYSA-N 0 0 323.440 3.114 10 30 DGEERN CC(C)c1csc(NC(=O)NCc2cccc(C#N)c2)n1 ZINC000043601293 431869531 /nfs/dbraw/zinc/86/95/31/431869531.db2.gz DMIWQMKDEKZCGR-UHFFFAOYSA-N 0 0 300.387 3.460 10 30 DGEERN C=CC[C@]1(O)c2ccccc2N(Cc2ccc(OC)cc2)C1=O ZINC000085348026 431839141 /nfs/dbraw/zinc/83/91/41/431839141.db2.gz OYKPTRCNNHJRBE-IBGZPJMESA-N 0 0 309.365 3.006 10 30 DGEERN CC(C)[C@@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000047686029 431914550 /nfs/dbraw/zinc/91/45/50/431914550.db2.gz ICBBSQBEEJBSGY-GFCCVEGCSA-N 0 0 312.335 3.401 10 30 DGEERN C[NH+](C)C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000125309166 431920933 /nfs/dbraw/zinc/92/09/33/431920933.db2.gz BMCSJBVVOVPCFM-GOSISDBHSA-N 0 0 322.412 3.177 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000125362168 431923332 /nfs/dbraw/zinc/92/33/32/431923332.db2.gz GTVKVQHTFCIGSZ-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCc1cccc(C)n1 ZINC000123822113 431875048 /nfs/dbraw/zinc/87/50/48/431875048.db2.gz OFOLJNQKMZPROG-UHFFFAOYSA-N 0 0 301.415 3.349 10 30 DGEERN CCCS(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091050028 431900073 /nfs/dbraw/zinc/90/00/73/431900073.db2.gz ZHKNYCWDHDEAHL-UHFFFAOYSA-N 0 0 314.410 3.055 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000046971822 431903553 /nfs/dbraw/zinc/90/35/53/431903553.db2.gz CPBQRGTYJWFTMN-YOEHRIQHSA-N 0 0 315.417 3.047 10 30 DGEERN CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055245216 431978736 /nfs/dbraw/zinc/97/87/36/431978736.db2.gz FTDKAYBTZPNAJB-UHFFFAOYSA-N 0 0 312.822 3.165 10 30 DGEERN N#C[C@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccccn1 ZINC000125477539 431926927 /nfs/dbraw/zinc/92/69/27/431926927.db2.gz PIEMVOMYIQWLHP-HNNXBMFYSA-N 0 0 322.755 3.411 10 30 DGEERN N#Cc1ccccc1OCCN1CCO[C@@H](c2ccsc2)C1 ZINC000125703707 431933853 /nfs/dbraw/zinc/93/38/53/431933853.db2.gz SNSGAVMRJOBGGD-QGZVFWFLSA-N 0 0 314.410 3.072 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000126307537 431947269 /nfs/dbraw/zinc/94/72/69/431947269.db2.gz CGJZSXZPDTWVJD-OAHLLOKOSA-N 0 0 301.346 3.106 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000151547609 281042339 /nfs/dbraw/zinc/04/23/39/281042339.db2.gz UIRHTDNKCXKLCN-INIZCTEOSA-N 0 0 306.431 3.043 10 30 DGEERN CN1CC[C@H](CNC(=O)c2cccc(CC#N)c2)c2ccccc21 ZINC000056047837 431987558 /nfs/dbraw/zinc/98/75/58/431987558.db2.gz LMTKFPKHXOMBLP-QGZVFWFLSA-N 0 0 319.408 3.106 10 30 DGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(C#N)cc1 ZINC000190615503 281281928 /nfs/dbraw/zinc/28/19/28/281281928.db2.gz SABTTXVIGQSXGF-KRWDZBQOSA-N 0 0 306.365 3.049 10 30 DGEERN CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](C)c1cccnc1 ZINC000151798463 432276928 /nfs/dbraw/zinc/27/69/28/432276928.db2.gz GKUUPYKQGHJQGT-NSHDSACASA-N 0 0 315.323 3.455 10 30 DGEERN CC[C@]1(C)CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000173497996 432282691 /nfs/dbraw/zinc/28/26/91/432282691.db2.gz YFMGBDHHGVVTMM-KBXCAEBGSA-N 0 0 300.402 3.364 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000248383364 432282812 /nfs/dbraw/zinc/28/28/12/432282812.db2.gz ZXGBCGWEFBQZFO-ZDUSSCGKSA-N 0 0 312.344 3.123 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000248551435 432300716 /nfs/dbraw/zinc/30/07/16/432300716.db2.gz GTXUCSZAAXOZJU-AEAUEXCSSA-N 0 0 322.836 3.273 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000128403059 431993945 /nfs/dbraw/zinc/99/39/45/431993945.db2.gz IIPAPYMROGDEEN-DOTOQJQBSA-N 0 0 300.402 3.048 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCCc2ccc(F)cc21 ZINC000058458359 431996238 /nfs/dbraw/zinc/99/62/38/431996238.db2.gz GFTDNJVXILCPQE-ZDUSSCGKSA-N 0 0 324.355 3.444 10 30 DGEERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000173214793 432264736 /nfs/dbraw/zinc/26/47/36/432264736.db2.gz QSEGDOXTCPLXTK-QWRGUYRKSA-N 0 0 312.822 3.021 10 30 DGEERN CC[C@H](CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)C ZINC000183691682 432317115 /nfs/dbraw/zinc/31/71/15/432317115.db2.gz NBBQVQMLUKJWEF-CYBMUJFWSA-N 0 0 311.389 3.150 10 30 DGEERN CC(=O)Nc1cccc2c1CCN(CC#Cc1ccccc1)C2 ZINC000191955800 432317874 /nfs/dbraw/zinc/31/78/74/432317874.db2.gz CJCCSXBMSZORRG-UHFFFAOYSA-N 0 0 304.393 3.055 10 30 DGEERN C=CC[C@@H](CO)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192208127 432345430 /nfs/dbraw/zinc/34/54/30/432345430.db2.gz OFVQKIMVYJYFCE-JTQLQIEISA-N 0 0 304.615 3.129 10 30 DGEERN N#Cc1ccc2ncc(CNc3cccc(OCCF)c3)n2c1 ZINC000152102833 432304194 /nfs/dbraw/zinc/30/41/94/432304194.db2.gz AEMLPRRVMFFXQK-UHFFFAOYSA-N 0 0 310.332 3.166 10 30 DGEERN C#CCCCCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271380315 432383799 /nfs/dbraw/zinc/38/37/99/432383799.db2.gz QVTASRSXFFGYMV-UHFFFAOYSA-N 0 0 310.397 3.122 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000184438715 432391738 /nfs/dbraw/zinc/39/17/38/432391738.db2.gz VTSOJXLXTRWXGH-HUUCEWRRSA-N 0 0 316.449 3.270 10 30 DGEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000254342386 432401993 /nfs/dbraw/zinc/40/19/93/432401993.db2.gz RFHGEKSZYGSBST-UHFFFAOYSA-N 0 0 314.819 3.104 10 30 DGEERN CC1N=NC(=S)N1N=Cc1ccc(Cc2ccccc2)s1 ZINC000254873374 432404479 /nfs/dbraw/zinc/40/44/79/432404479.db2.gz CPSLTDGJMDWZJF-UHFFFAOYSA-N 0 0 314.439 3.410 10 30 DGEERN CO[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@H]1C ZINC000251589405 432369836 /nfs/dbraw/zinc/36/98/36/432369836.db2.gz FLJZEJULJGHARL-IAQYHMDHSA-N 0 0 323.234 3.178 10 30 DGEERN Cc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)o1 ZINC000193043880 432441699 /nfs/dbraw/zinc/44/16/99/432441699.db2.gz DDVVLGRPJZOEGT-OAHLLOKOSA-N 0 0 311.385 3.186 10 30 DGEERN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C(C)(C)C ZINC000184599254 432411425 /nfs/dbraw/zinc/41/14/25/432411425.db2.gz CQNPPDJOPMTPPF-GFCCVEGCSA-N 0 0 319.405 3.140 10 30 DGEERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1sccc1C#N ZINC000175223931 432411994 /nfs/dbraw/zinc/41/19/94/432411994.db2.gz DMBLSMDSERLDRA-GFCCVEGCSA-N 0 0 311.410 3.100 10 30 DGEERN CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153478024 432414184 /nfs/dbraw/zinc/41/41/84/432414184.db2.gz FOFCAIFPQICGPK-XJKSGUPXSA-N 0 0 307.388 3.281 10 30 DGEERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000175339931 432426421 /nfs/dbraw/zinc/42/64/21/432426421.db2.gz MDRQVFGXCMYEOH-ZIAGYGMSSA-N 0 0 307.394 3.493 10 30 DGEERN COCCCCN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000192899764 432426672 /nfs/dbraw/zinc/42/66/72/432426672.db2.gz XTFYXZSISIXKNA-UHFFFAOYSA-N 0 0 323.396 3.022 10 30 DGEERN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccnc(C#N)c2)c1 ZINC000193615913 432484054 /nfs/dbraw/zinc/48/40/54/432484054.db2.gz YNWDQLBXIYWFQM-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176026652 432487146 /nfs/dbraw/zinc/48/71/46/432487146.db2.gz RMWFLHKSGBNBIE-AWEZNQCLSA-N 0 0 323.418 3.264 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C#Cc1ccccc1 ZINC000176199034 432499769 /nfs/dbraw/zinc/49/97/69/432499769.db2.gz GNOKFBOWXIFPCK-VQIMIIECSA-N 0 0 305.377 3.027 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176192492 432500293 /nfs/dbraw/zinc/50/02/93/432500293.db2.gz GYLZOHSSNREMIB-MLGOLLRUSA-N 0 0 311.360 3.259 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2cccc(C#N)c2)s1 ZINC000176190640 432500387 /nfs/dbraw/zinc/50/03/87/432500387.db2.gz BTKAZTIUAMPFAZ-NSHDSACASA-N 0 0 315.398 3.307 10 30 DGEERN COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)CC(C)C ZINC000185588660 432513093 /nfs/dbraw/zinc/51/30/93/432513093.db2.gz KKTVFIFELPEUQF-CYBMUJFWSA-N 0 0 304.390 3.204 10 30 DGEERN N#Cc1cc(F)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000176279628 432507226 /nfs/dbraw/zinc/50/72/26/432507226.db2.gz ITVVNCWXKZKSGK-VIFPVBQESA-N 0 0 318.245 3.251 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193260008 432461457 /nfs/dbraw/zinc/46/14/57/432461457.db2.gz RPIHKELFZJLXTL-LLVKDONJSA-N 0 0 309.435 3.066 10 30 DGEERN C[C@H]1SCCN(C(=O)c2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000193298720 432463540 /nfs/dbraw/zinc/46/35/40/432463540.db2.gz GNEOFHYJEVNAHM-DYVFJYSZSA-N 0 0 323.421 3.272 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000175813815 432468404 /nfs/dbraw/zinc/46/84/04/432468404.db2.gz DEVXMEDNWLXNHY-QGZVFWFLSA-N 0 0 307.397 3.134 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000185961023 432548720 /nfs/dbraw/zinc/54/87/20/432548720.db2.gz GEUIVUZVIRJEQI-HIFRSBDPSA-N 0 0 318.392 3.040 10 30 DGEERN C#CCC(C)(C)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000185952099 432549128 /nfs/dbraw/zinc/54/91/28/432549128.db2.gz XPPFGYLSOBQMHC-HNNXBMFYSA-N 0 0 305.805 3.369 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccsc1 ZINC000194440152 432551258 /nfs/dbraw/zinc/55/12/58/432551258.db2.gz HMGJWXAYPKKGDR-UHFFFAOYSA-N 0 0 316.382 3.414 10 30 DGEERN Cc1cc(C#N)ccc1COc1cc(Cl)ccc1C(N)=O ZINC000185994582 432552571 /nfs/dbraw/zinc/55/25/71/432552571.db2.gz SEEDSXURSFKBKK-UHFFFAOYSA-N 0 0 300.745 3.198 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)cc1C ZINC000185998809 432553386 /nfs/dbraw/zinc/55/33/86/432553386.db2.gz PXKMEUDIIZTQPY-UHFFFAOYSA-N 0 0 313.364 3.354 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC000186136367 432561698 /nfs/dbraw/zinc/56/16/98/432561698.db2.gz SMIWCTFMNZNJSQ-OAHLLOKOSA-N 0 0 302.418 3.372 10 30 DGEERN C#Cc1cccc(NC(=O)NC2(c3noc(CC)n3)CCCC2)c1 ZINC000176483113 432528605 /nfs/dbraw/zinc/52/86/05/432528605.db2.gz OKKCVQJQTNBVEK-UHFFFAOYSA-N 0 0 324.384 3.204 10 30 DGEERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C#N)cn1C ZINC000176563285 432533709 /nfs/dbraw/zinc/53/37/09/432533709.db2.gz VCCIYXVELJELBT-NSHDSACASA-N 0 0 324.409 3.340 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC#N ZINC000273032871 432540670 /nfs/dbraw/zinc/54/06/70/432540670.db2.gz NCOASBXQTXNSEQ-VIFPVBQESA-N 0 0 301.173 3.181 10 30 DGEERN Cc1cc(COC(=O)c2ccc(C3(C#N)CC3)cc2)nc(C)n1 ZINC000185897618 432543851 /nfs/dbraw/zinc/54/38/51/432543851.db2.gz TUKKIMNBCRAFLD-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000185912509 432544015 /nfs/dbraw/zinc/54/40/15/432544015.db2.gz ZNSWTFMGQSDSBS-QWHCGFSZSA-N 0 0 303.402 3.237 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000185931555 432545673 /nfs/dbraw/zinc/54/56/73/432545673.db2.gz VWZPJZHFMRAURV-ZDUSSCGKSA-N 0 0 313.850 3.266 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CCC1=O ZINC000186565223 432608988 /nfs/dbraw/zinc/60/89/88/432608988.db2.gz YQRTVRYUUCUTRZ-CQSZACIVSA-N 0 0 318.376 3.276 10 30 DGEERN N#CC1(NC(=O)c2ccc(OC(F)(F)Cl)cc2)CCCC1 ZINC000195310880 432616950 /nfs/dbraw/zinc/61/69/50/432616950.db2.gz WBKGJEQGMXWWSI-UHFFFAOYSA-N 0 0 314.719 3.421 10 30 DGEERN CCc1nc(C2(NCc3ccc(C#N)cc3C)CCCC2)no1 ZINC000186244671 432572888 /nfs/dbraw/zinc/57/28/88/432572888.db2.gz LJJOOXIZNNOOEP-UHFFFAOYSA-N 0 0 310.401 3.371 10 30 DGEERN C=CCn1c(C)nnc1SCc1csc(N(C)C2CC2)n1 ZINC000155880458 432579419 /nfs/dbraw/zinc/57/94/19/432579419.db2.gz AQNITRCFGKAOQG-UHFFFAOYSA-N 0 0 321.475 3.120 10 30 DGEERN Cc1cccc(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966520 432590309 /nfs/dbraw/zinc/59/03/09/432590309.db2.gz YUGFTDCXGRFHHM-UHFFFAOYSA-N 0 0 319.408 3.470 10 30 DGEERN C[C@@H]1CCCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000186398051 432591175 /nfs/dbraw/zinc/59/11/75/432591175.db2.gz MIDUAUQEHHCUBP-LLVKDONJSA-N 0 0 312.822 3.022 10 30 DGEERN N#Cc1ccc(OCCNC(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC000156181629 432591663 /nfs/dbraw/zinc/59/16/63/432591663.db2.gz OYBUIHOQRDBFMW-IBGZPJMESA-N 0 0 320.392 3.247 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000186409622 432593329 /nfs/dbraw/zinc/59/33/29/432593329.db2.gz KBLBSJBVZDKNEF-ZBFHGGJFSA-N 0 0 304.434 3.318 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000195031924 432596784 /nfs/dbraw/zinc/59/67/84/432596784.db2.gz XFZVUBKKJLVMED-JTQLQIEISA-N 0 0 319.286 3.463 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000186482808 432600789 /nfs/dbraw/zinc/60/07/89/432600789.db2.gz OPNFVEIEQQWFFL-ZDUSSCGKSA-N 0 0 316.323 3.240 10 30 DGEERN Cc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c(C)n1 ZINC000156591171 432601422 /nfs/dbraw/zinc/60/14/22/432601422.db2.gz TZUONYKSXBWVOE-IBGZPJMESA-N 0 0 307.397 3.343 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000273477892 432602850 /nfs/dbraw/zinc/60/28/50/432602850.db2.gz LILNBFDECHTZHA-GXSJLCMTSA-N 0 0 302.201 3.150 10 30 DGEERN CCc1csc([C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)n1 ZINC000195404154 432622226 /nfs/dbraw/zinc/62/22/26/432622226.db2.gz RISMIURRYIFLNQ-UONOGXRCSA-N 0 0 302.447 3.328 10 30 DGEERN C=CCOc1cccnc1C(=O)Nc1cccc(C)c1C(C)=O ZINC000157770578 432628473 /nfs/dbraw/zinc/62/84/73/432628473.db2.gz IQJAWMODGZSFMO-UHFFFAOYSA-N 0 0 310.353 3.410 10 30 DGEERN N#Cc1ccc(C(=O)CSc2ccc(C(F)(F)F)nn2)cc1 ZINC000186819790 432631483 /nfs/dbraw/zinc/63/14/83/432631483.db2.gz GZETVGOFGPNESU-UHFFFAOYSA-N 0 0 323.299 3.342 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000274268148 432645669 /nfs/dbraw/zinc/64/56/69/432645669.db2.gz ABPIACHAENNSCT-CYBMUJFWSA-N 0 0 308.372 3.216 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000274314256 432650153 /nfs/dbraw/zinc/65/01/53/432650153.db2.gz YRRMGRHKFVJOPP-KBPBESRZSA-N 0 0 303.402 3.455 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)CC(=C)C ZINC000274342893 432654803 /nfs/dbraw/zinc/65/48/03/432654803.db2.gz LKFHNRXHFHNXJI-JYJNAYRXSA-N 0 0 308.466 3.154 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000274346194 432656394 /nfs/dbraw/zinc/65/63/94/432656394.db2.gz FICLHKBTNQYCRG-WBVHZDCISA-N 0 0 315.413 3.089 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CCN(C)C(=O)[C@@H](C)CC(=C)C ZINC000274370956 432659311 /nfs/dbraw/zinc/65/93/11/432659311.db2.gz DEXGXDCEUWRAEF-HOTGVXAUSA-N 0 0 308.466 3.108 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC)[C@H](O)c1c(F)cccc1F ZINC000274392059 432660936 /nfs/dbraw/zinc/66/09/36/432660936.db2.gz OLDCKGIRYNZCPI-PEYYIBSZSA-N 0 0 311.372 3.495 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)[C@@H](C)CC(=C)C ZINC000274435287 432667213 /nfs/dbraw/zinc/66/72/13/432667213.db2.gz IQSQDSNBJXAENQ-XHSDSOJGSA-N 0 0 308.466 3.202 10 30 DGEERN CN(C(=O)c1cn2ccnc2s1)c1cc(Cl)ccc1C#N ZINC000187992979 432697455 /nfs/dbraw/zinc/69/74/55/432697455.db2.gz AKVRJUVQHLMDQF-UHFFFAOYSA-N 0 0 316.773 3.197 10 30 DGEERN C(#Cc1ccccc1)CSc1nccn1Cc1ccccn1 ZINC000188004739 432698430 /nfs/dbraw/zinc/69/84/30/432698430.db2.gz SMGDJFSFCHNPIM-UHFFFAOYSA-N 0 0 305.406 3.470 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000188062506 432702694 /nfs/dbraw/zinc/70/26/94/432702694.db2.gz CMFBMTNYOOTCMR-KOLCDFICSA-N 0 0 317.216 3.291 10 30 DGEERN COc1cc(F)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188144576 432707726 /nfs/dbraw/zinc/70/77/26/432707726.db2.gz SLKTVCLIUXQRFQ-UHFFFAOYSA-N 0 0 310.328 3.376 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000188250020 432715027 /nfs/dbraw/zinc/71/50/27/432715027.db2.gz VFKVEYDTUUWHOM-SNVBAGLBSA-N 0 0 318.236 3.006 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000274489300 432673984 /nfs/dbraw/zinc/67/39/84/432673984.db2.gz QTMNGUFEQUAUMD-ZDUSSCGKSA-N 0 0 315.442 3.466 10 30 DGEERN CCOc1ccc(CNC(=O)c2cccc(F)c2C#N)cc1F ZINC000187651778 432675132 /nfs/dbraw/zinc/67/51/32/432675132.db2.gz PKWDUFNEAQKNHH-UHFFFAOYSA-N 0 0 316.307 3.165 10 30 DGEERN C=C(CSc1nnc(-c2ccccc2C)n1C)C(=O)OCC ZINC000187667594 432676543 /nfs/dbraw/zinc/67/65/43/432676543.db2.gz VYAFSAOYFGJPFD-UHFFFAOYSA-N 0 0 317.414 3.002 10 30 DGEERN CO[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[C@@H]1C ZINC000187670928 432676807 /nfs/dbraw/zinc/67/68/07/432676807.db2.gz DQIIDUYTOUKYPX-BHYGNILZSA-N 0 0 315.417 3.098 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000188951321 432755641 /nfs/dbraw/zinc/75/56/41/432755641.db2.gz NLOFSOPASJGATB-ZWKOTPCHSA-N 0 0 320.367 3.401 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCC1 ZINC000189213195 432770706 /nfs/dbraw/zinc/77/07/06/432770706.db2.gz ZKOAEKVYDHAFRW-ZDUSSCGKSA-N 0 0 320.383 3.406 10 30 DGEERN N#CC1(c2ccc(C(=O)O[C@H]3CCc4cccnc43)cc2)CC1 ZINC000189294033 432776113 /nfs/dbraw/zinc/77/61/13/432776113.db2.gz GNTROZBQMZJERS-INIZCTEOSA-N 0 0 304.349 3.481 10 30 DGEERN CCOc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1OC ZINC000161490597 432781101 /nfs/dbraw/zinc/78/11/01/432781101.db2.gz HINLMODIPCWYFK-UHFFFAOYSA-N 0 0 324.380 3.204 10 30 DGEERN Cc1ncc(CN(C)C(=O)C2(c3ccc(C#N)cc3)CC2)s1 ZINC000188462506 432727645 /nfs/dbraw/zinc/72/76/45/432727645.db2.gz NBANSNSXVDOEBH-UHFFFAOYSA-N 0 0 311.410 3.013 10 30 DGEERN CC1(C)CN(C(=O)NCCCCC#N)CC[C@@H]1C(F)(F)F ZINC000188593305 432734350 /nfs/dbraw/zinc/73/43/50/432734350.db2.gz BYTBDPFWQCKKEE-NSHDSACASA-N 0 0 305.344 3.300 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000188765343 432743281 /nfs/dbraw/zinc/74/32/81/432743281.db2.gz AQXIXMNPSCRKNI-QGZVFWFLSA-N 0 0 324.424 3.198 10 30 DGEERN COc1ccc(F)cc1CNC(=O)Nc1cc(C#N)ccc1C ZINC000188775263 432744829 /nfs/dbraw/zinc/74/48/29/432744829.db2.gz CVPMAPBZEZFAEU-UHFFFAOYSA-N 0 0 313.332 3.336 10 30 DGEERN CC(C)[C@H](C)CNC(=O)Nc1ncccc1OCCCC#N ZINC000188786102 432745200 /nfs/dbraw/zinc/74/52/00/432745200.db2.gz QOIARZQCRDKVMI-CYBMUJFWSA-N 0 0 304.394 3.178 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245514957 432839033 /nfs/dbraw/zinc/83/90/33/432839033.db2.gz CUQNUEQUZCOFOF-CVEARBPZSA-N 0 0 321.852 3.303 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CCC1 ZINC000189771949 432817621 /nfs/dbraw/zinc/81/76/21/432817621.db2.gz MHNCIDGRUSDULP-CQSZACIVSA-N 0 0 310.401 3.191 10 30 DGEERN COc1ccc(CSc2nnc(C(C)C)n2C)cc1C#N ZINC000162300908 432820776 /nfs/dbraw/zinc/82/07/76/432820776.db2.gz GTEUDCYHOLSWSD-UHFFFAOYSA-N 0 0 302.403 3.111 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000267331478 432832872 /nfs/dbraw/zinc/83/28/72/432832872.db2.gz BUHJKVIJUGDXPG-LLVKDONJSA-N 0 0 308.328 3.004 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000161752488 432797304 /nfs/dbraw/zinc/79/73/04/432797304.db2.gz TXKMTBRMEPLZKA-SUMWQHHRSA-N 0 0 300.402 3.192 10 30 DGEERN C[C@H](CNc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189536540 432798084 /nfs/dbraw/zinc/79/80/84/432798084.db2.gz IAAQRQZSUACRTK-OAHLLOKOSA-N 0 0 319.408 3.207 10 30 DGEERN C[C@@H](CNc1ccccc1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189536519 432798326 /nfs/dbraw/zinc/79/83/26/432798326.db2.gz IAAQRQZSUACRTK-HNNXBMFYSA-N 0 0 319.408 3.207 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](C)c2ccncc2OC)cc1 ZINC000189600390 432803358 /nfs/dbraw/zinc/80/33/58/432803358.db2.gz CHDPYCZODDAQPB-CYBMUJFWSA-N 0 0 312.369 3.146 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000162953972 432838748 /nfs/dbraw/zinc/83/87/48/432838748.db2.gz VYWYMXPURXHCLO-KXBFYZLASA-N 0 0 320.392 3.469 10 30 DGEERN C[C@H]1CC[C@H](C)N(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000162178432 432814078 /nfs/dbraw/zinc/81/40/78/432814078.db2.gz RMFQHRGACIPCJF-KBPBESRZSA-N 0 0 300.402 3.363 10 30 DGEERN N#Cc1c(Cl)nsc1N1CCO[C@H](c2cccs2)C1 ZINC000268379609 432867068 /nfs/dbraw/zinc/86/70/68/432867068.db2.gz JDRQTSWMNCIQOJ-VIFPVBQESA-N 0 0 311.819 3.308 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246054412 432874887 /nfs/dbraw/zinc/87/48/87/432874887.db2.gz QKOOXLVLOCQZTM-BZPMIXESSA-N 0 0 304.415 3.444 10 30 DGEERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1csc2ccccc12 ZINC000329983968 432886265 /nfs/dbraw/zinc/88/62/65/432886265.db2.gz PZZHGZKGJOTNKV-LLVKDONJSA-N 0 0 317.414 3.366 10 30 DGEERN O=C(C[C@H]1C=CCCC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329984839 432886354 /nfs/dbraw/zinc/88/63/54/432886354.db2.gz QOXRIBDZAPYTHM-KKUMJFAQSA-N 0 0 318.396 3.096 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCSC1 ZINC000288249735 432890380 /nfs/dbraw/zinc/89/03/80/432890380.db2.gz STHHXEKNDBDLFY-IAGOWNOFSA-N 0 0 316.470 3.063 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccncc1 ZINC000288196334 432890531 /nfs/dbraw/zinc/89/05/31/432890531.db2.gz PEJUAAZXGUEQJO-IBGZPJMESA-N 0 0 321.424 3.248 10 30 DGEERN O=C(NCC[C@@H]1CCCCO1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330053166 432891390 /nfs/dbraw/zinc/89/13/90/432891390.db2.gz QBEHPKASSNBSJT-HRCADAONSA-N 0 0 304.390 3.075 10 30 DGEERN COc1ccc(CNc2ccccc2C(=O)NC2CC2)cc1C#N ZINC000163042194 432841351 /nfs/dbraw/zinc/84/13/51/432841351.db2.gz JUJJUKHSMLXIDF-UHFFFAOYSA-N 0 0 321.380 3.071 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cc(C(=O)OC)co2)CCCC1(C)C ZINC000278421577 432895062 /nfs/dbraw/zinc/89/50/62/432895062.db2.gz OTYYCBQPJIIRHH-AWEZNQCLSA-N 0 0 305.374 3.273 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NCCCC(C)(F)F ZINC000296565028 432923467 /nfs/dbraw/zinc/92/34/67/432923467.db2.gz GWMXIRKXKZXMSS-UHFFFAOYSA-N 0 0 312.360 3.486 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H]1CCOC1(C)C)c1ccc(F)c(F)c1 ZINC000296847505 432931343 /nfs/dbraw/zinc/93/13/43/432931343.db2.gz MBWCQGAOFMRVHL-GJZGRUSLSA-N 0 0 324.371 3.449 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000296375904 432901584 /nfs/dbraw/zinc/90/15/84/432901584.db2.gz OTTMZTKMPIXLBB-QZTJIDSGSA-N 0 0 321.380 3.105 10 30 DGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C ZINC000289554075 432967363 /nfs/dbraw/zinc/96/73/63/432967363.db2.gz FOWYGWVQWZYXGV-GFCCVEGCSA-N 0 0 318.808 3.010 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000279275762 432951385 /nfs/dbraw/zinc/95/13/85/432951385.db2.gz SLXMXOOZAPVJLN-QMTHXVAHSA-N 0 0 315.747 3.216 10 30 DGEERN C[C@@H]1SCCN(C(=O)c2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000193298732 288944344 /nfs/dbraw/zinc/94/43/44/288944344.db2.gz GNEOFHYJEVNAHM-GUYCJALGSA-N 0 0 323.421 3.272 10 30 DGEERN C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1cc(C#N)cn1C ZINC000177555825 289028232 /nfs/dbraw/zinc/02/82/32/289028232.db2.gz XGQHVPZNRHBJKE-NEPJUHHUSA-N 0 0 311.410 3.426 10 30 DGEERN C=CCOc1cccc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000372919662 433063754 /nfs/dbraw/zinc/06/37/54/433063754.db2.gz DGHZNHQYVAKTFF-SFHVURJKSA-N 0 0 320.396 3.249 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)NCC1CCC(C#N)CC1)CO2 ZINC000373021700 433073768 /nfs/dbraw/zinc/07/37/68/433073768.db2.gz HVFWSQBQDCZZMJ-XUJLQICISA-N 0 0 313.401 3.058 10 30 DGEERN C=CCC[C@H]1NC(=O)N(CCc2c(C)oc3ccccc32)C1=O ZINC000419932190 433081905 /nfs/dbraw/zinc/08/19/05/433081905.db2.gz FBFHCSSTABHJLB-OAHLLOKOSA-N 0 0 312.369 3.170 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2cc(F)c(Cl)cc2F)C1=O ZINC000419936511 433083599 /nfs/dbraw/zinc/08/35/99/433083599.db2.gz DONQQKVKXMSWPP-LBPRGKRZSA-N 0 0 314.719 3.005 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CCCC23CCC3)c(OC)c1 ZINC000373067727 433084130 /nfs/dbraw/zinc/08/41/30/433084130.db2.gz CMWUOXCGHMTDRT-UHFFFAOYSA-N 0 0 315.413 3.348 10 30 DGEERN C=CCC(C)(C)CN1C(=O)[C@H](C)N(Cc2ccccc2)C1=O ZINC000419945859 433085474 /nfs/dbraw/zinc/08/54/74/433085474.db2.gz TYJNYRVBSIHROI-AWEZNQCLSA-N 0 0 300.402 3.442 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H]2CCCc3c(F)cc(F)cc32)C1=O ZINC000419967952 433088795 /nfs/dbraw/zinc/08/87/95/433088795.db2.gz PANZNVQOVHHGOF-GJZGRUSLSA-N 0 0 320.339 3.229 10 30 DGEERN C=CC(C)(C)CN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000420015181 433095083 /nfs/dbraw/zinc/09/50/83/433095083.db2.gz PRFAMJZUQYVXGI-CYBMUJFWSA-N 0 0 306.793 3.015 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCOCC1 ZINC000373225298 433135753 /nfs/dbraw/zinc/13/57/53/433135753.db2.gz DYPHPXKMMGPXCG-MRXNPFEDSA-N 0 0 303.402 3.027 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000373629797 433158148 /nfs/dbraw/zinc/15/81/48/433158148.db2.gz PLQOIFULNLVSAX-UHFFFAOYSA-N 0 0 317.364 3.148 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374514493 433209702 /nfs/dbraw/zinc/20/97/02/433209702.db2.gz PARQCJFWBQKQJM-IAGOWNOFSA-N 0 0 302.418 3.372 10 30 DGEERN C=CCN(Cc1ccccc1)c1nnc([C@]2(C)CCCO2)n1C ZINC000453418425 433172937 /nfs/dbraw/zinc/17/29/37/433172937.db2.gz DKYXGLRAGSDUFR-SFHVURJKSA-N 0 0 312.417 3.033 10 30 DGEERN C=CCn1c(N2CCC[C@H](C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453434901 433181722 /nfs/dbraw/zinc/18/17/22/433181722.db2.gz FWUKNCFHTXRCPT-YOEHRIQHSA-N 0 0 304.438 3.116 10 30 DGEERN C=CC[C@H]1N(c2nnc([C@H]3CCCO3)n2C)CCCC1(C)C ZINC000453437430 433182681 /nfs/dbraw/zinc/18/26/81/433182681.db2.gz BDECUWQVJVLTDU-ZIAGYGMSSA-N 0 0 304.438 3.238 10 30 DGEERN C=CCn1c(N2CCC[C@H](C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453434900 433184048 /nfs/dbraw/zinc/18/40/48/433184048.db2.gz FWUKNCFHTXRCPT-WMLDXEAASA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2CCc3ccccc3C2)nnc1[C@@]1(C)CCCO1 ZINC000453444745 433189881 /nfs/dbraw/zinc/18/98/81/433189881.db2.gz SPMQKUYFBLEBDI-LJQANCHMSA-N 0 0 324.428 3.052 10 30 DGEERN C=C(C)Cn1c(N(C)[C@@H](C)C2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453472114 433200977 /nfs/dbraw/zinc/20/09/77/433200977.db2.gz WBZANIXOKHMRQK-SUMWQHHRSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453472739 433201047 /nfs/dbraw/zinc/20/10/47/433201047.db2.gz YDUYNHFHNPMBAQ-RLFYNMQTSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c(N(C)Cc2ccco2)nnc1[C@@]1(C)CCCO1 ZINC000453470872 433201147 /nfs/dbraw/zinc/20/11/47/433201147.db2.gz RIGILEFQWRQGTI-QGZVFWFLSA-N 0 0 316.405 3.109 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@@]2(C)CCCO2)n1CC(=C)C ZINC000453471209 433201500 /nfs/dbraw/zinc/20/15/00/433201500.db2.gz SVJSKOZNGMSTKR-QGZVFWFLSA-N 0 0 304.438 3.282 10 30 DGEERN C=CCN(Cc1ccccc1F)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425406814 433226037 /nfs/dbraw/zinc/22/60/37/433226037.db2.gz NHVIPHZJOJWJEM-MRXNPFEDSA-N 0 0 304.409 3.213 10 30 DGEERN C=CCOCCCC(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000447614199 433249133 /nfs/dbraw/zinc/24/91/33/433249133.db2.gz IDPXLOIGXDLLAP-UHFFFAOYSA-N 0 0 305.393 3.457 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000281006955 433252776 /nfs/dbraw/zinc/25/27/76/433252776.db2.gz DWKWZOPLUDUPDG-DUVNUKRYSA-N 0 0 300.402 3.366 10 30 DGEERN C=C[C@](C)(CC)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447686584 433259059 /nfs/dbraw/zinc/25/90/59/433259059.db2.gz REWMJOKVUZINCR-QGZVFWFLSA-N 0 0 304.390 3.114 10 30 DGEERN C=CCOc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447685817 433259990 /nfs/dbraw/zinc/25/99/90/433259990.db2.gz BGAXUSSDTFNKTL-UHFFFAOYSA-N 0 0 324.340 3.070 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSc1ccccc1C ZINC000281210485 433270622 /nfs/dbraw/zinc/27/06/22/433270622.db2.gz DEGUNGUHYWGAIS-WMLDXEAASA-N 0 0 305.443 3.185 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@@H]2CCO[C@H](CC)C2)cc1 ZINC000420869210 433288552 /nfs/dbraw/zinc/28/85/52/433288552.db2.gz UIXUOUATJWPFGX-HZPDHXFCSA-N 0 0 318.417 3.008 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000281428494 433296952 /nfs/dbraw/zinc/29/69/52/433296952.db2.gz NMTSDEFUWMTEJQ-RDTXWAMCSA-N 0 0 323.383 3.385 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000448031068 433353389 /nfs/dbraw/zinc/35/33/89/433353389.db2.gz OQOKDBFOLNQPBT-MRXNPFEDSA-N 0 0 306.381 3.183 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOCc1ccccc1 ZINC000299326779 433361470 /nfs/dbraw/zinc/36/14/70/433361470.db2.gz ZFXMKPIJWWQYHJ-UHFFFAOYSA-N 0 0 301.308 3.170 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375118718 433365902 /nfs/dbraw/zinc/36/59/02/433365902.db2.gz ANIKTQWYOZFGKM-SWLSCSKDSA-N 0 0 306.406 3.011 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000425876771 433366428 /nfs/dbraw/zinc/36/64/28/433366428.db2.gz OOZJMUFYOKORLJ-BBRMVZONSA-N 0 0 320.820 3.040 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000425923540 433374648 /nfs/dbraw/zinc/37/46/48/433374648.db2.gz RYVBDBKOGFVSEG-CABCVRRESA-N 0 0 324.490 3.181 10 30 DGEERN C=CCCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000447937167 433327706 /nfs/dbraw/zinc/32/77/06/433327706.db2.gz VOFUVERFNKZTCL-UHFFFAOYSA-N 0 0 311.447 3.372 10 30 DGEERN C=CCCCNC(=O)NCc1cccnc1OC1CCCC1 ZINC000447980065 433337732 /nfs/dbraw/zinc/33/77/32/433337732.db2.gz VOELKKWKHBNYED-UHFFFAOYSA-N 0 0 303.406 3.168 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1SC ZINC000448375793 433402275 /nfs/dbraw/zinc/40/22/75/433402275.db2.gz PDFPHLBHVYQGAT-UHFFFAOYSA-N 0 0 312.822 3.083 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000448373145 433403798 /nfs/dbraw/zinc/40/37/98/433403798.db2.gz GGGXUDOBMJPCFM-UHFFFAOYSA-N 0 0 314.410 3.436 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1cccc(C(F)(F)F)c1 ZINC000448579345 433432785 /nfs/dbraw/zinc/43/27/85/433432785.db2.gz CWMDKNCQAKOOOA-SNVBAGLBSA-N 0 0 321.302 3.407 10 30 DGEERN C=CCOc1ccccc1[C@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000414189392 433448613 /nfs/dbraw/zinc/44/86/13/433448613.db2.gz JRCMXMQTSCZJHH-SFHVURJKSA-N 0 0 320.392 3.419 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000426259444 433449946 /nfs/dbraw/zinc/44/99/46/433449946.db2.gz ZLVXAGRUBQMXGN-QWHCGFSZSA-N 0 0 303.362 3.406 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000448614449 433456442 /nfs/dbraw/zinc/45/64/42/433456442.db2.gz IAAMTBQCUQGMQF-ZDUSSCGKSA-N 0 0 315.373 3.003 10 30 DGEERN CC(C)c1noc(CCCNc2c(F)cc(C#N)cc2F)n1 ZINC000301234503 433462449 /nfs/dbraw/zinc/46/24/49/433462449.db2.gz KZBCYFVIXWCQPF-UHFFFAOYSA-N 0 0 306.316 3.388 10 30 DGEERN CC(C)OC(=O)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301241614 433467600 /nfs/dbraw/zinc/46/76/00/433467600.db2.gz OIFHYSCTBRSZAM-UHFFFAOYSA-N 0 0 305.353 3.119 10 30 DGEERN C#CCNC(=O)c1ccc(N[C@@H](C)c2ccc(OCC)cc2)nc1 ZINC000301235042 433463765 /nfs/dbraw/zinc/46/37/65/433463765.db2.gz LINSYVGMLFACPO-AWEZNQCLSA-N 0 0 323.396 3.016 10 30 DGEERN CC(C)(C#N)CCCN1CCO[C@H](COc2ccccc2)C1 ZINC000361986106 433485558 /nfs/dbraw/zinc/48/55/58/433485558.db2.gz PNAPMMFRMXRSOP-KRWDZBQOSA-N 0 0 302.418 3.096 10 30 DGEERN Cc1cccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000301328030 433510176 /nfs/dbraw/zinc/51/01/76/433510176.db2.gz AFGCGWDZRCOMMR-UHFFFAOYSA-N 0 0 319.324 3.330 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N(C)CCc1ncc(C)s1 ZINC000282157489 433515792 /nfs/dbraw/zinc/51/57/92/433515792.db2.gz CPCOWQMLMDTAMH-UHFFFAOYSA-N 0 0 319.478 3.106 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000282217300 433533050 /nfs/dbraw/zinc/53/30/50/433533050.db2.gz SFXLBXPUMIAFEF-GOEBONIOSA-N 0 0 300.402 3.207 10 30 DGEERN CC(C)COCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301389632 433535221 /nfs/dbraw/zinc/53/52/21/433535221.db2.gz ZJNFLECLXWUMKK-UHFFFAOYSA-N 0 0 314.345 3.099 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)Nc1ccnnc1C ZINC000362034490 433498871 /nfs/dbraw/zinc/49/88/71/433498871.db2.gz GNBFNEJAQCZYTQ-UHFFFAOYSA-N 0 0 300.337 3.144 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CCC[C@@]3(CCOC3)C2)c1 ZINC000454589965 433501616 /nfs/dbraw/zinc/50/16/16/433501616.db2.gz XRKWKVQOSPXSNQ-GOSISDBHSA-N 0 0 316.401 3.286 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000448797589 433553911 /nfs/dbraw/zinc/55/39/11/433553911.db2.gz YURJJLWNKIOVAR-UHFFFAOYSA-N 0 0 307.397 3.339 10 30 DGEERN C=CCOc1ccc(COC(=O)c2nnn(C(C)C)c2C)cc1 ZINC000292354731 433560796 /nfs/dbraw/zinc/56/07/96/433560796.db2.gz ZCFQASWMKGTRIK-UHFFFAOYSA-N 0 0 315.373 3.089 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1 ZINC000426726543 433574157 /nfs/dbraw/zinc/57/41/57/433574157.db2.gz KIVLPUQTQOOLMF-WMZOPIPTSA-N 0 0 303.402 3.375 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000448844795 433579657 /nfs/dbraw/zinc/57/96/57/433579657.db2.gz KPSSAEVWGZOSDA-INIZCTEOSA-N 0 0 307.397 3.134 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000362143849 433544512 /nfs/dbraw/zinc/54/45/12/433544512.db2.gz YLDPINDFUXVABP-ROUUACIJSA-N 0 0 316.420 3.456 10 30 DGEERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1c(C)nn(C)c1C ZINC000301420664 433545051 /nfs/dbraw/zinc/54/50/51/433545051.db2.gz CORGQJUZSIPIAH-CQSZACIVSA-N 0 0 313.361 3.380 10 30 DGEERN C=CC1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000448956186 433629626 /nfs/dbraw/zinc/62/96/26/433629626.db2.gz NWSQUJGXZVWVFO-UHFFFAOYSA-N 0 0 314.248 3.478 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)OCC)no1 ZINC000448968957 433633309 /nfs/dbraw/zinc/63/33/09/433633309.db2.gz MMXJKBJPTPCWMI-UHFFFAOYSA-N 0 0 320.389 3.060 10 30 DGEERN C=CCc1cc(CN2CCO[C@H](C3CCC3)C2)cc(OC)c1O ZINC000414467438 433635435 /nfs/dbraw/zinc/63/54/35/433635435.db2.gz BDXQXNZKIRGRDK-SFHVURJKSA-N 0 0 317.429 3.130 10 30 DGEERN COc1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1C#N ZINC000162317197 292851665 /nfs/dbraw/zinc/85/16/65/292851665.db2.gz MTRFAJAMAZHEHN-UHFFFAOYSA-N 0 0 301.327 3.162 10 30 DGEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)C1CC1 ZINC000293163236 433638062 /nfs/dbraw/zinc/63/80/62/433638062.db2.gz XIEKPNGBTLAXDE-AWEZNQCLSA-N 0 0 311.433 3.075 10 30 DGEERN CN(C(=O)c1ncsc1Br)c1ccc(C#N)cc1 ZINC000342361246 433639418 /nfs/dbraw/zinc/63/94/18/433639418.db2.gz BJPCLEBRYREAJA-UHFFFAOYSA-N 0 0 322.187 3.054 10 30 DGEERN COc1ccc(CSc2nnc(-c3ccncc3)o2)cc1C#N ZINC000162631579 292856499 /nfs/dbraw/zinc/85/64/99/292856499.db2.gz ZNOWOWCMSUJQCF-UHFFFAOYSA-N 0 0 324.365 3.304 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282956342 433642427 /nfs/dbraw/zinc/64/24/27/433642427.db2.gz UKAQBCDDPAYFIY-HOCLYGCPSA-N 0 0 315.417 3.011 10 30 DGEERN C=CCOc1ccccc1CNc1ncnc2c1ncn2C1CC1 ZINC000292755822 433594549 /nfs/dbraw/zinc/59/45/49/433594549.db2.gz NZJIECOWAWAVGF-UHFFFAOYSA-N 0 0 321.384 3.338 10 30 DGEERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301556578 433609056 /nfs/dbraw/zinc/60/90/56/433609056.db2.gz NNCHDUCVDBCZLO-IDFMNXDXSA-N 0 0 312.385 3.328 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@@H](c1ccccc1)C(F)(F)F ZINC000448904845 433609144 /nfs/dbraw/zinc/60/91/44/433609144.db2.gz VBGULISRWMRVLF-AWEZNQCLSA-N 0 0 321.302 3.272 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC000282519002 433612359 /nfs/dbraw/zinc/61/23/59/433612359.db2.gz GJCABGLOMHKZTG-HUUCEWRRSA-N 0 0 312.417 3.053 10 30 DGEERN C#Cc1cccc(N(CC)Cc2nc(C(=O)OCC)cs2)c1 ZINC000293055672 433612351 /nfs/dbraw/zinc/61/23/51/433612351.db2.gz YMJPFDNUVDBNMQ-UHFFFAOYSA-N 0 0 314.410 3.328 10 30 DGEERN C=CCC1(NC(=O)C[C@@H](O)Cc2ccccc2)CCCCC1 ZINC000456364366 433618593 /nfs/dbraw/zinc/61/85/93/433618593.db2.gz JOSFXYWEQANHFQ-KRWDZBQOSA-N 0 0 301.430 3.375 10 30 DGEERN C=CCC1(NC(=O)Cn2ccc(=O)c3ccccc32)CCCCC1 ZINC000456362439 433619977 /nfs/dbraw/zinc/61/99/77/433619977.db2.gz HHCNAWQDQRBVSV-UHFFFAOYSA-N 0 0 324.424 3.397 10 30 DGEERN COc1cc(C)c(C(=O)Nc2ccc(C#N)c(F)c2)cc1OC ZINC000362289612 433624137 /nfs/dbraw/zinc/62/41/37/433624137.db2.gz WTSJXKALGSSKSJ-UHFFFAOYSA-N 0 0 314.316 3.275 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000362341734 433654478 /nfs/dbraw/zinc/65/44/78/433654478.db2.gz JAEAZGOYQVKPTJ-HOTGVXAUSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCC1(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)CCCC1 ZINC000456490793 433689257 /nfs/dbraw/zinc/68/92/57/433689257.db2.gz YBTWUGNWOUOVIY-OAHLLOKOSA-N 0 0 314.429 3.058 10 30 DGEERN C=CCN(Cc1cccs1)Cc1cccc(S(C)(=O)=O)c1 ZINC000449008225 433651766 /nfs/dbraw/zinc/65/17/66/433651766.db2.gz OWPKIMIWLZSBQP-UHFFFAOYSA-N 0 0 321.467 3.340 10 30 DGEERN C=C(C)CN(C)C(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000356781817 433697055 /nfs/dbraw/zinc/69/70/55/433697055.db2.gz OTZUPFAYLJZUEA-UHFFFAOYSA-N 0 0 309.793 3.346 10 30 DGEERN C=CCCCN(C)c1nn2c(nnc2C(F)(F)F)c(C)c1C ZINC000301754451 433709136 /nfs/dbraw/zinc/70/91/36/433709136.db2.gz WUXKCRVVYMOTCJ-UHFFFAOYSA-N 0 0 313.327 3.162 10 30 DGEERN Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)sc1SCC#N ZINC000121782632 293330791 /nfs/dbraw/zinc/33/07/91/293330791.db2.gz DIPRGJQBSDWJMR-VHSXEESVSA-N 0 0 319.411 3.402 10 30 DGEERN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(C#N)cc2)no1 ZINC000408155269 293381439 /nfs/dbraw/zinc/38/14/39/293381439.db2.gz TYOULZMXNZXGEE-OAHLLOKOSA-N 0 0 310.357 3.007 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)OC)c(C)cc1C ZINC000362517426 433732376 /nfs/dbraw/zinc/73/23/76/433732376.db2.gz ZRNXYHIGMIBIDF-BBRMVZONSA-N 0 0 317.385 3.010 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000362492435 433733365 /nfs/dbraw/zinc/73/33/65/433733365.db2.gz LYDRZXHMCIZFOV-IBGZPJMESA-N 0 0 309.409 3.195 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000456629060 433752792 /nfs/dbraw/zinc/75/27/92/433752792.db2.gz AVGUOSBMAUYAKX-CYBMUJFWSA-N 0 0 318.383 3.097 10 30 DGEERN C=CCOc1ccc(C(=O)NC2(C3(C)CC3)CC2)cc1OC ZINC000456638217 433755806 /nfs/dbraw/zinc/75/58/06/433755806.db2.gz CKOJNFWVSAPFMB-UHFFFAOYSA-N 0 0 301.386 3.323 10 30 DGEERN C=C[C@@H](C)NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000362585758 433772663 /nfs/dbraw/zinc/77/26/63/433772663.db2.gz DHLHTUXATVVYLE-SNVBAGLBSA-N 0 0 308.428 3.327 10 30 DGEERN N#Cc1ccc(F)cc1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339778585 433775873 /nfs/dbraw/zinc/77/58/73/433775873.db2.gz DTUUBTCIYXZWME-MSOLQXFVSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1cc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)ccc1F ZINC000339775042 433778249 /nfs/dbraw/zinc/77/82/49/433778249.db2.gz DEMOZRQDDUMRQC-WMZOPIPTSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339788282 433781281 /nfs/dbraw/zinc/78/12/81/433781281.db2.gz MZGJZJRMETXUSH-GUYCJALGSA-N 0 0 300.308 3.149 10 30 DGEERN C=C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000362603255 433786620 /nfs/dbraw/zinc/78/66/20/433786620.db2.gz XJHBAEOWNHVZGS-MRVPVSSYSA-N 0 0 321.174 3.007 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](CC)c1nc(-c2ccccc2)c[nH]1 ZINC000376645765 433794302 /nfs/dbraw/zinc/79/43/02/433794302.db2.gz MCICNNUCEUENKJ-QGZVFWFLSA-N 0 0 319.408 3.307 10 30 DGEERN C=CCn1c(Sc2nc(C)ns2)nnc1-c1ccco1 ZINC000301923415 433797563 /nfs/dbraw/zinc/79/75/63/433797563.db2.gz HGDGWHIYFQGZAI-UHFFFAOYSA-N 0 0 305.388 3.035 10 30 DGEERN CC(=O)C1(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000293605215 433800264 /nfs/dbraw/zinc/80/02/64/433800264.db2.gz YEHCVEIJTSWLBR-UHFFFAOYSA-N 0 0 318.376 3.211 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000376723474 433804081 /nfs/dbraw/zinc/80/40/81/433804081.db2.gz NYHXGODUVCNUFQ-UHFFFAOYSA-N 0 0 323.436 3.139 10 30 DGEERN Cn1c2cc(Nc3ccc([N+](=O)[O-])cc3C#N)ccc2ccc1=O ZINC000362663865 433810967 /nfs/dbraw/zinc/81/09/67/433810967.db2.gz MIOIOSVJLQIMFX-UHFFFAOYSA-N 0 0 320.308 3.062 10 30 DGEERN Cn1nccc1[C@H]1OCC[C@@H]1CNc1c(Cl)cccc1C#N ZINC000362662964 433811069 /nfs/dbraw/zinc/81/10/69/433811069.db2.gz KCUVNYQDSLYDCS-WBMJQRKESA-N 0 0 316.792 3.135 10 30 DGEERN C=CCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000302140723 433814181 /nfs/dbraw/zinc/81/41/81/433814181.db2.gz JGEGKMNSSCHLDQ-NSHDSACASA-N 0 0 316.279 3.395 10 30 DGEERN C=CCC1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCCCC1 ZINC000449924874 433873819 /nfs/dbraw/zinc/87/38/19/433873819.db2.gz RWDPGWCCYOKWKJ-CQSZACIVSA-N 0 0 305.340 3.039 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000376851176 433829591 /nfs/dbraw/zinc/82/95/91/433829591.db2.gz WUHLFCDMCZDBMR-HNNXBMFYSA-N 0 0 319.408 3.021 10 30 DGEERN C=C(CNC(=O)N1CC[C@@H](Cc2ccncc2)C1)c1ccccc1 ZINC000377020947 433843528 /nfs/dbraw/zinc/84/35/28/433843528.db2.gz SIOOCSHGJRFHFE-SFHVURJKSA-N 0 0 321.424 3.369 10 30 DGEERN C#CCCCCNC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377333231 433856911 /nfs/dbraw/zinc/85/69/11/433856911.db2.gz CGMKMCOSSJKPRD-IAGOWNOFSA-N 0 0 300.402 3.009 10 30 DGEERN N#Cc1nc(NCc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000302772366 433858880 /nfs/dbraw/zinc/85/88/80/433858880.db2.gz NKHSUOWXSKRUEM-UHFFFAOYSA-N 0 0 305.297 3.022 10 30 DGEERN C=CC(C)(C)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000449906215 433865928 /nfs/dbraw/zinc/86/59/28/433865928.db2.gz XFIIIWSWZJQFRX-HUUCEWRRSA-N 0 0 316.445 3.447 10 30 DGEERN C=CCNc1ncc(C(=O)N(C)Cc2cc(C)cc(C)c2)s1 ZINC000434501491 433869329 /nfs/dbraw/zinc/86/93/29/433869329.db2.gz AVYVUZNDRUYRKT-UHFFFAOYSA-N 0 0 315.442 3.630 10 30 DGEERN COc1ccccc1C[C@@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000363060945 433959918 /nfs/dbraw/zinc/95/99/18/433959918.db2.gz DVVGWESENQTRJX-HNNXBMFYSA-N 0 0 312.413 3.170 10 30 DGEERN N#Cc1ccnc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000357419774 434006884 /nfs/dbraw/zinc/00/68/84/434006884.db2.gz AFNNHXVUOCYHEE-UHFFFAOYSA-N 0 0 317.801 3.479 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000285666428 434029972 /nfs/dbraw/zinc/02/99/72/434029972.db2.gz FPVYAFNHZWVRFW-GUDVDZBRSA-N 0 0 313.441 3.333 10 30 DGEERN N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194104 434035194 /nfs/dbraw/zinc/03/51/94/434035194.db2.gz RDRFENQUSOBWLJ-UTUOFQBUSA-N 0 0 312.339 3.300 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000450308758 434097718 /nfs/dbraw/zinc/09/77/18/434097718.db2.gz OEWUBJRSRZYNKT-UHFFFAOYSA-N 0 0 313.788 3.012 10 30 DGEERN C#Cc1ccccc1CC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000378006018 434055347 /nfs/dbraw/zinc/05/53/47/434055347.db2.gz UTCKEOYNLIETKZ-UHFFFAOYSA-N 0 0 301.389 3.284 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnc(C2CC2)nc1 ZINC000294444147 434114139 /nfs/dbraw/zinc/11/41/39/434114139.db2.gz LSDABSZHCVCKBE-UHFFFAOYSA-N 0 0 323.396 3.191 10 30 DGEERN C=CCC(F)(F)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000294485495 434115758 /nfs/dbraw/zinc/11/57/58/434115758.db2.gz HMSNIXSMKXHEHL-UHFFFAOYSA-N 0 0 322.355 3.031 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOc1cccc(OC)c1 ZINC000294652248 434127032 /nfs/dbraw/zinc/12/70/32/434127032.db2.gz HMXIVYOXIPDCPH-UHFFFAOYSA-N 0 0 317.307 3.041 10 30 DGEERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC(C)(C)C2)cn1 ZINC000330153718 294288066 /nfs/dbraw/zinc/28/80/66/294288066.db2.gz MXXXRSLDORVJJT-LNSITVRQSA-N 0 0 318.421 3.363 10 30 DGEERN C=C(C)CS(=O)(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000416595309 434144696 /nfs/dbraw/zinc/14/46/96/434144696.db2.gz QNQAFNXRRDHYGE-INIZCTEOSA-N 0 0 305.443 3.162 10 30 DGEERN N#Cc1cc(F)c(NC[C@H]2CCC[C@@H]2O)cc1Br ZINC000380593027 434265584 /nfs/dbraw/zinc/26/55/84/434265584.db2.gz DVAOAFFTSVIJNR-OQPBUACISA-N 0 0 313.170 3.033 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC000437478443 434268920 /nfs/dbraw/zinc/26/89/20/434268920.db2.gz BWPNYUOACLUVAX-ZBEGNZNMSA-N 0 0 303.333 3.283 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000437503308 434273291 /nfs/dbraw/zinc/27/32/91/434273291.db2.gz XBBRJRYCIANWLG-YVEFUNNKSA-N 0 0 316.376 3.326 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC2(CCC(O)CC2)CC1 ZINC000450575236 434274113 /nfs/dbraw/zinc/27/41/13/434274113.db2.gz GWXUDVLAAKRUAI-UHFFFAOYSA-N 0 0 312.413 3.282 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC000437523668 434278706 /nfs/dbraw/zinc/27/87/06/434278706.db2.gz KXKONXQTCZOKHU-IGMKCIBUSA-N 0 0 303.377 3.326 10 30 DGEERN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(O)c1 ZINC000364701528 434280157 /nfs/dbraw/zinc/28/01/57/434280157.db2.gz MHBYOQSCIJVLQI-ZWKOTPCHSA-N 0 0 306.365 3.304 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1c(C)noc1C ZINC000286630223 434283296 /nfs/dbraw/zinc/28/32/96/434283296.db2.gz CTABRROHHQEMKL-QGZVFWFLSA-N 0 0 324.424 3.320 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CC1 ZINC000286675223 434284707 /nfs/dbraw/zinc/28/47/07/434284707.db2.gz FRBPDOXBRGNQEL-LJQANCHMSA-N 0 0 303.405 3.469 10 30 DGEERN O=C(CC1=CCCCC1)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328604475 434287415 /nfs/dbraw/zinc/28/74/15/434287415.db2.gz KCPJDARZFFLOPP-JKSUJKDBSA-N 0 0 318.421 3.101 10 30 DGEERN O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)C1=CCCCCC1 ZINC000328602102 434287739 /nfs/dbraw/zinc/28/77/39/434287739.db2.gz AEOZKOKLMOFRFB-JKSUJKDBSA-N 0 0 318.421 3.101 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1C(C)C)CCC2 ZINC000328649196 434290743 /nfs/dbraw/zinc/29/07/43/434290743.db2.gz IOPOROWJFXVGBR-LSDHHAIUSA-N 0 0 304.438 3.103 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2=C(C)OCCC2)cn1 ZINC000328630297 434291080 /nfs/dbraw/zinc/29/10/80/434291080.db2.gz PTGUGTINCMKYEF-JKSUJKDBSA-N 0 0 319.405 3.164 10 30 DGEERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cccc3[nH]ccc32)cn1 ZINC000328645333 434291179 /nfs/dbraw/zinc/29/11/79/434291179.db2.gz ZOSQECXMHDWXAX-DLBZAZTESA-N 0 0 324.384 3.126 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2ccncc2)cn1 ZINC000328640183 434291300 /nfs/dbraw/zinc/29/13/00/434291300.db2.gz XGSBQCDLCINCLW-VBNZEHGJSA-N 0 0 314.389 3.093 10 30 DGEERN C#CCCCNC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000365199160 434292757 /nfs/dbraw/zinc/29/27/57/434292757.db2.gz GEKZLKIVJAPRDD-UHFFFAOYSA-N 0 0 315.804 3.233 10 30 DGEERN C[C@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1cccs1 ZINC000328663352 434294950 /nfs/dbraw/zinc/29/49/50/434294950.db2.gz BANNVRPYASHJRR-JQWIXIFHSA-N 0 0 304.419 3.124 10 30 DGEERN CC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328663972 434298103 /nfs/dbraw/zinc/29/81/03/434298103.db2.gz YGQCTGSVCVPQDE-LSDHHAIUSA-N 0 0 304.438 3.247 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)noc1CC ZINC000287025053 434300887 /nfs/dbraw/zinc/30/08/87/434300887.db2.gz IOSOZJSCZBCDCM-OAHLLOKOSA-N 0 0 311.385 3.302 10 30 DGEERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](n3cccn3)C2)[C@H]1C ZINC000328687708 434301236 /nfs/dbraw/zinc/30/12/36/434301236.db2.gz HEQSZARRFXLKDY-QZWWFDLISA-N 0 0 318.465 3.301 10 30 DGEERN C[C@H](NC(=O)CN1CCC[C@H](n2cccn2)C1)c1cccs1 ZINC000328700676 434301686 /nfs/dbraw/zinc/30/16/86/434301686.db2.gz MWDHGCPIXCBOGA-KBPBESRZSA-N 0 0 318.446 3.299 10 30 DGEERN Cc1cn2cc(NC(=O)[C@@H](C)c3c(C)nn(C)c3C)ccc2n1 ZINC000328746082 434305714 /nfs/dbraw/zinc/30/57/14/434305714.db2.gz AJDSBMNVGVKFAX-NSHDSACASA-N 0 0 311.389 3.385 10 30 DGEERN C=CCC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCC1 ZINC000450633032 434307237 /nfs/dbraw/zinc/30/72/37/434307237.db2.gz VTPIHDLRXPCVPL-UHFFFAOYSA-N 0 0 315.373 3.011 10 30 DGEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1nnc2ccccn21 ZINC000328770154 434309925 /nfs/dbraw/zinc/30/99/25/434309925.db2.gz GPVDEDANLXXXKS-RYUDHWBXSA-N 0 0 315.377 3.036 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295329906 434313986 /nfs/dbraw/zinc/31/39/86/434313986.db2.gz OZWRVWWVQDJYLX-CYBMUJFWSA-N 0 0 315.385 3.444 10 30 DGEERN O=C(NCCOC1CCCC1)N[C@@H]1CCc2ccccc2C1 ZINC000328827985 434318094 /nfs/dbraw/zinc/31/80/94/434318094.db2.gz SVIABBITUGGXNZ-MRXNPFEDSA-N 0 0 302.418 3.007 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccnc1 ZINC000287284393 434325352 /nfs/dbraw/zinc/32/53/52/434325352.db2.gz VRXHAUMLWHGDSI-MAUKXSAKSA-N 0 0 307.397 3.076 10 30 DGEERN C[C@@H]1C[C@H](C(=O)NC2CCN(c3ccccn3)CC2)CCC1=O ZINC000328904191 434325586 /nfs/dbraw/zinc/32/55/86/434325586.db2.gz IYIJYTONWOPHCG-ZIAGYGMSSA-N 0 0 315.417 3.012 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)CC(F)(F)F ZINC000457818309 434363038 /nfs/dbraw/zinc/36/30/38/434363038.db2.gz YERYJEFTYSKQAR-LLVKDONJSA-N 0 0 319.323 3.265 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1cc(C)ccc1C ZINC000437934482 434367758 /nfs/dbraw/zinc/36/77/58/434367758.db2.gz PWMRZCPKDSNKLD-SJLPKXTDSA-N 0 0 316.445 3.426 10 30 DGEERN C#Cc1ccc(CNC(=O)CCc2ncc(C(C)(C)C)o2)cc1 ZINC000295460217 434372012 /nfs/dbraw/zinc/37/20/12/434372012.db2.gz MSWMKQGSSXNOLR-UHFFFAOYSA-N 0 0 310.397 3.202 10 30 DGEERN Cn1ccc([C@@H](Nc2cccc(C#N)n2)c2ccc(F)cc2)n1 ZINC000358464089 434391947 /nfs/dbraw/zinc/39/19/47/434391947.db2.gz MIPXASDMLZTXIM-KRWDZBQOSA-N 0 0 307.332 3.027 10 30 DGEERN C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@H]1CCCO1 ZINC000295900965 434443406 /nfs/dbraw/zinc/44/34/06/434443406.db2.gz IMXXBXOMNZAZAO-CQSZACIVSA-N 0 0 300.362 3.068 10 30 DGEERN C[C@@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)[C@H]2CCCC[C@@H]12 ZINC000329607378 434445866 /nfs/dbraw/zinc/44/58/66/434445866.db2.gz IIGZTCLRRPQRQO-ZLDLUXBVSA-N 0 0 302.422 3.354 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000438073983 434394582 /nfs/dbraw/zinc/39/45/82/434394582.db2.gz LXIGXGSYJXUVKJ-ZIFCJYIRSA-N 0 0 318.461 3.500 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000438077251 434394596 /nfs/dbraw/zinc/39/45/96/434394596.db2.gz RMLAGQXJGUKYKH-JQHSSLGASA-N 0 0 314.429 3.344 10 30 DGEERN C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572473 434398692 /nfs/dbraw/zinc/39/86/92/434398692.db2.gz QBLSEBYPLDJJOQ-DIFFPNOSSA-N 0 0 302.324 3.221 10 30 DGEERN C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585001 434398849 /nfs/dbraw/zinc/39/88/49/434398849.db2.gz IFOUXHFDAWSPQF-ACJLOTCBSA-N 0 0 323.371 3.153 10 30 DGEERN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358562621 434399233 /nfs/dbraw/zinc/39/92/33/434399233.db2.gz HPVKOQQBNUQGAL-LBPRGKRZSA-N 0 0 314.408 3.406 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)c1ccccn1 ZINC000287602430 434409451 /nfs/dbraw/zinc/40/94/51/434409451.db2.gz YVVBTFXFQCKHBS-SJLPKXTDSA-N 0 0 321.424 3.419 10 30 DGEERN Cc1noc(C)c1[C@H](C)CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329563432 434434177 /nfs/dbraw/zinc/43/41/77/434434177.db2.gz RZMZVVLUYGDRPZ-MFKMUULPSA-N 0 0 307.394 3.498 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000295869399 434438392 /nfs/dbraw/zinc/43/83/92/434438392.db2.gz FRBFAXQHPSZYLP-IUODEOHRSA-N 0 0 309.331 3.400 10 30 DGEERN N#Cc1ccnc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000287822984 434459424 /nfs/dbraw/zinc/45/94/24/434459424.db2.gz KCAJLMODTYXKOW-CYBMUJFWSA-N 0 0 323.318 3.148 10 30 DGEERN C=CCC[C@@H](CO)Nc1nnc(-c2ccccc2Cl)s1 ZINC000450892109 434464668 /nfs/dbraw/zinc/46/46/68/434464668.db2.gz COLNNQUHCHYWSG-JTQLQIEISA-N 0 0 309.822 3.598 10 30 DGEERN C#CCCCC(=O)Nc1cccc2cc(C(=O)OC)sc21 ZINC000296089119 434505121 /nfs/dbraw/zinc/50/51/21/434505121.db2.gz MBFGZUCMIFIZQU-UHFFFAOYSA-N 0 0 301.367 3.430 10 30 DGEERN C=CCOc1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000438373245 434475046 /nfs/dbraw/zinc/47/50/46/434475046.db2.gz JFPLIJSCLPZURD-ZNMIVQPWSA-N 0 0 305.418 3.258 10 30 DGEERN Cn1c(CNC(=O)[C@@H]2CCc3ccccc32)nnc1C1CCC1 ZINC000329757165 434476292 /nfs/dbraw/zinc/47/62/92/434476292.db2.gz ZDPPMTGZZMKHDL-OAHLLOKOSA-N 0 0 310.401 3.269 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000417628556 434477278 /nfs/dbraw/zinc/47/72/78/434477278.db2.gz QXEUECYWOUTFEY-ZDUSSCGKSA-N 0 0 313.344 3.414 10 30 DGEERN O=C(NCc1ccc(O)cc1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329863621 434496545 /nfs/dbraw/zinc/49/65/45/434496545.db2.gz ZGCXBGOOZXFDST-QGZVFWFLSA-N 0 0 318.417 3.087 10 30 DGEERN Cc1nnc([C@H]2CCCCN2c2nc(C)c(C#N)cc2Cl)[nH]1 ZINC000360066410 434503825 /nfs/dbraw/zinc/50/38/25/434503825.db2.gz PHMVYCXOFZTYAG-CYBMUJFWSA-N 0 0 316.796 3.073 10 30 DGEERN CC1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329652504 434450454 /nfs/dbraw/zinc/45/04/54/434450454.db2.gz KXJKRZGKZRFQRS-NQBOGQKCSA-N 0 0 314.433 3.369 10 30 DGEERN CC(C)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CC#N ZINC000450975943 434512496 /nfs/dbraw/zinc/51/24/96/434512496.db2.gz YBNPQPQPIXAWIT-UHFFFAOYSA-N 0 0 308.447 3.167 10 30 DGEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)cc1Br ZINC000408066820 434540094 /nfs/dbraw/zinc/54/00/94/434540094.db2.gz DGQQODVHSHOTBX-SMDDNHRTSA-N 0 0 321.218 3.488 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCOc2cccc(F)c2C1 ZINC000367335697 434546317 /nfs/dbraw/zinc/54/63/17/434546317.db2.gz FEVHPLMQSWONMA-CMDGGOBGSA-N 0 0 322.339 3.132 10 30 DGEERN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc(C#N)n1C ZINC000451059877 434548467 /nfs/dbraw/zinc/54/84/67/434548467.db2.gz XKMNNPQCRPWFLJ-UHFFFAOYSA-N 0 0 321.302 3.154 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000367551143 434550496 /nfs/dbraw/zinc/55/04/96/434550496.db2.gz XLAZAVULCGVOAA-DLBZAZTESA-N 0 0 302.418 3.372 10 30 DGEERN CC1(C)Oc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc2O1 ZINC000408238197 434554366 /nfs/dbraw/zinc/55/43/66/434554366.db2.gz WCEXSFAYULJULH-PWSUYJOCSA-N 0 0 301.346 3.008 10 30 DGEERN C#C[C@@H](C)NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367840468 434558904 /nfs/dbraw/zinc/55/89/04/434558904.db2.gz BATBKJVKGGICCU-MLGOLLRUSA-N 0 0 306.356 3.280 10 30 DGEERN C#C[C@H](C)NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000367840467 434559294 /nfs/dbraw/zinc/55/92/94/434559294.db2.gz BATBKJVKGGICCU-LRDDRELGSA-N 0 0 306.356 3.280 10 30 DGEERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)c1cccc(C#N)c1)CC2 ZINC000527528510 295101313 /nfs/dbraw/zinc/10/13/13/295101313.db2.gz MKGFJWNMWHDKNK-CQSZACIVSA-N 0 0 322.412 3.173 10 30 DGEERN COc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(Cl)c1O ZINC000408399289 434572291 /nfs/dbraw/zinc/57/22/91/434572291.db2.gz GKPHBAIGWPVPOV-ZDUSSCGKSA-N 0 0 322.792 3.209 10 30 DGEERN Cc1cc(C#N)nc(N(Cc2ccco2)Cc2ccc(O)cc2)n1 ZINC000439161439 434573004 /nfs/dbraw/zinc/57/30/04/434573004.db2.gz AVXNEZSGBZYERW-UHFFFAOYSA-N 0 0 320.352 3.162 10 30 DGEERN C#CCCCS(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000368626082 434579772 /nfs/dbraw/zinc/57/97/72/434579772.db2.gz SJISXVONCLKVRO-MRXNPFEDSA-N 0 0 309.406 3.096 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368729653 434582769 /nfs/dbraw/zinc/58/27/69/434582769.db2.gz QPHVKDCYZRZQIJ-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN CC#CCCCC(=O)NCc1nc(C)c(Br)s1 ZINC000452400638 434594183 /nfs/dbraw/zinc/59/41/83/434594183.db2.gz VCWHHRYNFHBFTI-UHFFFAOYSA-N 0 0 315.236 3.024 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC2(CC2)CC1 ZINC000370875694 434620985 /nfs/dbraw/zinc/62/09/85/434620985.db2.gz HNPHTERAUWNROR-KRWDZBQOSA-N 0 0 312.413 3.364 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000409784904 434621556 /nfs/dbraw/zinc/62/15/56/434621556.db2.gz DLCFPTKWIQAGCL-SFHVURJKSA-N 0 0 320.408 3.168 10 30 DGEERN CC(C)(C)c1noc(OCc2ccc(C#N)cc2OC(F)F)n1 ZINC000439539234 434623490 /nfs/dbraw/zinc/62/34/90/434623490.db2.gz CQWJLVBSTIRVJJ-UHFFFAOYSA-N 0 0 323.299 3.419 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000424125096 434629973 /nfs/dbraw/zinc/62/99/73/434629973.db2.gz NJDRMQQGPBUBMC-XQQFMLRXSA-N 0 0 304.463 3.124 10 30 DGEERN CC[C@@H]1CCC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452535256 434638940 /nfs/dbraw/zinc/63/89/40/434638940.db2.gz WQPJHLYYDIAUNV-QWQRMKEZSA-N 0 0 322.449 3.191 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000459689602 434664590 /nfs/dbraw/zinc/66/45/90/434664590.db2.gz GOYIXPIWEFORCW-JTQLQIEISA-N 0 0 311.451 3.062 10 30 DGEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411234784 434750770 /nfs/dbraw/zinc/75/07/70/434750770.db2.gz CRKOLWHFIHCTSN-SNVBAGLBSA-N 0 0 323.462 3.022 10 30 DGEERN C=CCC1(C(=O)N(C)CCCc2ccccc2)CCOCC1 ZINC000424591766 434752258 /nfs/dbraw/zinc/75/22/58/434752258.db2.gz NVXMPILNOWAWFE-UHFFFAOYSA-N 0 0 301.430 3.451 10 30 DGEERN C=CCC1(C(=O)NCCOc2cccc(Cl)c2)CCOCC1 ZINC000424594171 434753875 /nfs/dbraw/zinc/75/38/75/434753875.db2.gz QIZSAKXBTYMATQ-UHFFFAOYSA-N 0 0 323.820 3.208 10 30 DGEERN C=CCC1(c2nc(-c3ncccc3SC)no2)CCOCC1 ZINC000424350849 434708144 /nfs/dbraw/zinc/70/81/44/434708144.db2.gz BQQVJTGWGFPYRT-UHFFFAOYSA-N 0 0 317.414 3.478 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)C(C)(C)COCC(F)F ZINC000411061602 434708149 /nfs/dbraw/zinc/70/81/49/434708149.db2.gz IUHFHWUHANVALT-UHFFFAOYSA-N 0 0 324.327 3.007 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000452772426 434709786 /nfs/dbraw/zinc/70/97/86/434709786.db2.gz FECPRNLDZDPTCK-KRWDZBQOSA-N 0 0 317.429 3.252 10 30 DGEERN C=C(C)CN(C)c1nnc([C@@H]2CCCS2)n1C[C@@H]1CCCO1 ZINC000424361270 434711349 /nfs/dbraw/zinc/71/13/49/434711349.db2.gz XDTBHVDJBFAXBV-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)Cc2ccccc2F)CCOCC1 ZINC000424602055 434754859 /nfs/dbraw/zinc/75/48/59/434754859.db2.gz DUKXCAAVKRHKKB-AWEZNQCLSA-N 0 0 305.393 3.246 10 30 DGEERN C=CCC1(C(=O)Nc2cc(OC)cc(OC)c2)CCOCC1 ZINC000424519120 434732014 /nfs/dbraw/zinc/73/20/14/434732014.db2.gz AFAFOKLZKNKRSJ-UHFFFAOYSA-N 0 0 305.374 3.015 10 30 DGEERN C=CCOCCNC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000371637160 434732757 /nfs/dbraw/zinc/73/27/57/434732757.db2.gz GUGJUBJXEZXXDC-KRWDZBQOSA-N 0 0 318.417 3.134 10 30 DGEERN C=CCOCCNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000371641988 434734009 /nfs/dbraw/zinc/73/40/09/434734009.db2.gz KLRQFQWBDAUSNF-CQSZACIVSA-N 0 0 308.809 3.042 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC000424556883 434739795 /nfs/dbraw/zinc/73/97/95/434739795.db2.gz HRFRXSCHMPHALJ-STQMWFEESA-N 0 0 319.380 3.461 10 30 DGEERN C=CCC1(C(=O)N[C@H](CC)Cc2ccccc2)CCOCC1 ZINC000424651866 434770619 /nfs/dbraw/zinc/77/06/19/434770619.db2.gz ZILOTOOPMIICEZ-QGZVFWFLSA-N 0 0 301.430 3.497 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(CC)C[C@@H]1CCCO1 ZINC000460555633 434761678 /nfs/dbraw/zinc/76/16/78/434761678.db2.gz FWBVLYZQMOYAAK-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000452990711 434773586 /nfs/dbraw/zinc/77/35/86/434773586.db2.gz ZCOJTWZDWPTTAM-LBPRGKRZSA-N 0 0 300.358 3.163 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ncc(CC)s2)CCOCC1 ZINC000424709046 434784965 /nfs/dbraw/zinc/78/49/65/434784965.db2.gz SHAICAAFWVHKIZ-UHFFFAOYSA-N 0 0 308.447 3.037 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCc3c2cccc3OC)CCOCC1 ZINC000424725490 434787574 /nfs/dbraw/zinc/78/75/74/434787574.db2.gz VCVRUWUYCAWTBU-INIZCTEOSA-N 0 0 315.413 3.172 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411489722 434788782 /nfs/dbraw/zinc/78/87/82/434788782.db2.gz KVDFSXFOFFWTDU-LBPRGKRZSA-N 0 0 308.809 3.366 10 30 DGEERN C=CCC1(C(=O)NCC2(Cc3ccccc3)CC2)CCOCC1 ZINC000424729682 434789773 /nfs/dbraw/zinc/78/97/73/434789773.db2.gz CYVDZKPSNHSXDN-UHFFFAOYSA-N 0 0 313.441 3.498 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2c(F)cccc2OC)CCOCC1 ZINC000424701849 434782876 /nfs/dbraw/zinc/78/28/76/434782876.db2.gz XVSPLTLLJJNKCA-ZDUSSCGKSA-N 0 0 321.392 3.384 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)c2nc(C)cs2)CCOCC1 ZINC000424769260 434800329 /nfs/dbraw/zinc/80/03/29/434800329.db2.gz AMZBABWKWWILAP-GFCCVEGCSA-N 0 0 308.447 3.044 10 30 DGEERN C=C(C)CCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411571168 434804402 /nfs/dbraw/zinc/80/44/02/434804402.db2.gz GSESWYRIUCFXRI-UHFFFAOYSA-N 0 0 323.462 3.024 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)CC(=O)c2cccs2)CCOCC1 ZINC000424732634 434791801 /nfs/dbraw/zinc/79/18/01/434791801.db2.gz HPNDJEGRCPIAJA-CYBMUJFWSA-N 0 0 321.442 3.199 10 30 DGEERN C=CCC1(C(=O)NCc2nc(C(C)C)cs2)CCOCC1 ZINC000424742824 434793062 /nfs/dbraw/zinc/79/30/62/434793062.db2.gz VJVPPGVEKAMQEC-UHFFFAOYSA-N 0 0 308.447 3.256 10 30 DGEERN C=CCNC(=O)Cc1noc(/C(C)=C\c2ccc(Cl)cc2)n1 ZINC000445332713 434797326 /nfs/dbraw/zinc/79/73/26/434797326.db2.gz LWQUOVOLONTVFU-LUAWRHEFSA-N 0 0 317.776 3.128 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(Cl)cn2)CCOCC1 ZINC000424806684 434807429 /nfs/dbraw/zinc/80/74/29/434807429.db2.gz RGKZMOZPEHNJBY-LBPRGKRZSA-N 0 0 308.809 3.285 10 30 DGEERN C=CCCn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2O)nn1 ZINC000424820018 434811459 /nfs/dbraw/zinc/81/14/59/434811459.db2.gz KOLDAQAZCPCHEO-UHFFFAOYSA-N 0 0 314.389 3.110 10 30 DGEERN C=CCCn1cc(C(=O)Nc2ccc(CCC(C)C)cn2)nn1 ZINC000424868888 434821433 /nfs/dbraw/zinc/82/14/33/434821433.db2.gz UVHRPUSSFMPGIJ-UHFFFAOYSA-N 0 0 313.405 3.090 10 30 DGEERN C=CCC1(C(=O)NCc2cnccc2C(C)(C)C)CCOCC1 ZINC000424877473 434823549 /nfs/dbraw/zinc/82/35/49/434823549.db2.gz ISZUXRREAHQVEB-UHFFFAOYSA-N 0 0 316.445 3.368 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1cc(C)ccc1C(C)C ZINC000424899458 434827387 /nfs/dbraw/zinc/82/73/87/434827387.db2.gz CXJPJRQQLVNOEG-RDJZCZTQSA-N 0 0 317.429 3.205 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000424916576 434828581 /nfs/dbraw/zinc/82/85/81/434828581.db2.gz RAHFJCYQQYWLJD-FZMZJTMJSA-N 0 0 314.212 3.243 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(CCCC)cc1 ZINC000424918055 434829487 /nfs/dbraw/zinc/82/94/87/434829487.db2.gz UPAOPASOXNUGGA-ROUUACIJSA-N 0 0 301.430 3.279 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000424930270 434829757 /nfs/dbraw/zinc/82/97/57/434829757.db2.gz DXVHXIRFZGPRKQ-WWGRRREGSA-N 0 0 323.433 3.261 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(CSC)c1 ZINC000424934323 434829829 /nfs/dbraw/zinc/82/98/29/434829829.db2.gz URQIKGFRIBKDDF-WFASDCNBSA-N 0 0 309.406 3.010 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000424931000 434830345 /nfs/dbraw/zinc/83/03/45/434830345.db2.gz IGZBNDKNAQCNHM-NOLJZWGESA-N 0 0 307.821 3.226 10 30 DGEERN C=CCOc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000446221803 434854318 /nfs/dbraw/zinc/85/43/18/434854318.db2.gz JFBRKGJSXORURY-IHRRRGAJSA-N 0 0 304.390 3.281 10 30 DGEERN CC[C@H](C)Oc1cc(C)ccc1CNc1nc(C)cc(C#N)n1 ZINC000553108516 434878419 /nfs/dbraw/zinc/87/84/19/434878419.db2.gz NFCSNVOFBBSLLP-AWEZNQCLSA-N 0 0 310.401 3.755 10 30 DGEERN Cc1cc(C#N)nc(N(C)[C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000553096153 434878997 /nfs/dbraw/zinc/87/89/97/434878997.db2.gz AZKSSBNOBGVONO-GFCCVEGCSA-N 0 0 300.793 3.378 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000553392775 434890058 /nfs/dbraw/zinc/89/00/58/434890058.db2.gz GJVYZNSDWGUPGW-UHFFFAOYSA-N 0 0 322.364 3.404 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)OCC(C)C ZINC000521724421 434894748 /nfs/dbraw/zinc/89/47/48/434894748.db2.gz UENCCADUZCIRHU-CQSZACIVSA-N 0 0 320.389 3.171 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000521995352 434905854 /nfs/dbraw/zinc/90/58/54/434905854.db2.gz KBVXTFANFGAGKB-NHYWBVRUSA-N 0 0 323.824 3.119 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC000520895915 434865987 /nfs/dbraw/zinc/86/59/87/434865987.db2.gz ANQSSXPCJRGEQF-GOSISDBHSA-N 0 0 312.392 3.417 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)[C@@H]1CCSC1 ZINC000460962720 434866445 /nfs/dbraw/zinc/86/64/45/434866445.db2.gz MBMZXHOYMMDLRF-CQSZACIVSA-N 0 0 308.495 3.385 10 30 DGEERN CCn1c(Cc2ccccc2C)nnc1N1CCC(C)(C#N)CC1 ZINC000555043732 434957947 /nfs/dbraw/zinc/95/79/47/434957947.db2.gz TZTDKGKAUKNKMS-UHFFFAOYSA-N 0 0 323.444 3.327 10 30 DGEERN C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC ZINC000555244763 434967423 /nfs/dbraw/zinc/96/74/23/434967423.db2.gz RSYVOPTXJSSKJZ-UHFFFAOYSA-N 0 0 314.433 3.104 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1csc(-c2ccncc2)n1 ZINC000555287396 434968177 /nfs/dbraw/zinc/96/81/77/434968177.db2.gz DSDJJJKSWUDWRI-TZMCWYRMSA-N 0 0 315.398 3.125 10 30 DGEERN C=CCOCC(=O)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000463832266 434971522 /nfs/dbraw/zinc/97/15/22/434971522.db2.gz XEDILHOCXBALHZ-UHFFFAOYSA-N 0 0 323.436 3.407 10 30 DGEERN C=CC[C@@H](C(=O)NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000462648419 434923179 /nfs/dbraw/zinc/92/31/79/434923179.db2.gz YLZFCAKHQHKEHP-MRXNPFEDSA-N 0 0 323.440 3.275 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC000573740739 434923367 /nfs/dbraw/zinc/92/33/67/434923367.db2.gz UJSLFGCTHGWOFQ-SFHVURJKSA-N 0 0 314.408 3.492 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@@H]2C[C@@]2(C)Br)c1 ZINC000528162968 435020674 /nfs/dbraw/zinc/02/06/74/435020674.db2.gz CFXSDVVUFKYUJN-GXTWGEPZSA-N 0 0 310.191 3.363 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528275181 435021719 /nfs/dbraw/zinc/02/17/19/435021719.db2.gz ZJBJSMWFYPCDFM-GOEBONIOSA-N 0 0 322.246 3.417 10 30 DGEERN CCc1ccc(SC(F)(F)F)c(CC(=O)OC)c1C#N ZINC000575389307 435034242 /nfs/dbraw/zinc/03/42/42/435034242.db2.gz FYOWSOANNZYNLZ-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN COC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1C(F)F ZINC000575344176 435030661 /nfs/dbraw/zinc/03/06/61/435030661.db2.gz STELGASJWSOLIG-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN COC(=O)c1ccc(C(F)(F)F)c(OC(F)(F)F)c1C#N ZINC000575345229 435030952 /nfs/dbraw/zinc/03/09/52/435030952.db2.gz LIVRZRTVGGWUQA-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1C(F)F ZINC000575385244 435034318 /nfs/dbraw/zinc/03/43/18/435034318.db2.gz FTSNEWAJWMNTFR-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000574518421 434984849 /nfs/dbraw/zinc/98/48/49/434984849.db2.gz GXRURDJONIEQIG-GXTWGEPZSA-N 0 0 323.820 3.447 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)(F)F)c1Cl ZINC000575383033 435032927 /nfs/dbraw/zinc/03/29/27/435032927.db2.gz BBFSVHQVURKNAD-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CCOC(=O)Cc1ccc(C(F)F)c(Br)c1C#N ZINC000575382780 435033089 /nfs/dbraw/zinc/03/30/89/435033089.db2.gz ZYBWVQGBLJMFEJ-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1OC(F)(F)F ZINC000575388939 435034094 /nfs/dbraw/zinc/03/40/94/435034094.db2.gz LZVYSKJMONYZND-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCCOCC1CCC1 ZINC000577254541 435059583 /nfs/dbraw/zinc/05/95/83/435059583.db2.gz OAMFKYFEYJKQNO-UHFFFAOYSA-N 0 0 308.447 3.262 10 30 DGEERN Cc1cc(C#N)nc(N2CCCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000557629481 435060836 /nfs/dbraw/zinc/06/08/36/435060836.db2.gz RMMFNTCMAMDHRH-KRWDZBQOSA-N 0 0 310.376 3.397 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000530954694 435062034 /nfs/dbraw/zinc/06/20/34/435062034.db2.gz MRWPXBIGUQGEJB-UHFFFAOYSA-N 0 0 314.360 3.015 10 30 DGEERN COCCCOc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530948469 435062839 /nfs/dbraw/zinc/06/28/39/435062839.db2.gz XBPXKOCBHJZZAS-UHFFFAOYSA-N 0 0 324.380 3.155 10 30 DGEERN N#Cc1cnccc1N1CCc2cc(Br)ccc2C1 ZINC000557683816 435064145 /nfs/dbraw/zinc/06/41/45/435064145.db2.gz DFXDEYMEPREGJK-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(C=O)c1SC(F)(F)F ZINC000575391471 435035189 /nfs/dbraw/zinc/03/51/89/435035189.db2.gz NJIXYXLXEWGDTF-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1c(C#N)ccc([N+](=O)[O-])c1SC(F)(F)F ZINC000575394250 435035391 /nfs/dbraw/zinc/03/53/91/435035391.db2.gz QMYROTVHVBBTMC-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1c(C=O)ccc(C#N)c1SC(F)(F)F ZINC000575391072 435035802 /nfs/dbraw/zinc/03/58/02/435035802.db2.gz IKMFOGIWCRXHOT-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N(C)Cc1ccc(C)o1 ZINC000575400595 435036238 /nfs/dbraw/zinc/03/62/38/435036238.db2.gz LHOLMRWKQFTMAZ-UHFFFAOYSA-N 0 0 314.311 3.107 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc(C)o2)C1 ZINC000529522593 435037370 /nfs/dbraw/zinc/03/73/70/435037370.db2.gz WXBCZYUYTWISHW-CQSZACIVSA-N 0 0 313.401 3.417 10 30 DGEERN CCc1c(C#N)ccc(I)c1OC(F)F ZINC000575654426 435038476 /nfs/dbraw/zinc/03/84/76/435038476.db2.gz CLXRIKVELJBNGP-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1cc(I)cc(OC(F)F)c1C#N ZINC000575654394 435038527 /nfs/dbraw/zinc/03/85/27/435038527.db2.gz BRNHIDRFYBEDIT-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN N#CCc1c(OC(F)(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575665522 435040655 /nfs/dbraw/zinc/04/06/55/435040655.db2.gz FUAHGRWWUQDYQS-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#CCc1c(OC(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575666534 435040724 /nfs/dbraw/zinc/04/07/24/435040724.db2.gz JKVFPXMNMSXTOM-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1OC(F)(F)F ZINC000575668016 435041809 /nfs/dbraw/zinc/04/18/09/435041809.db2.gz PTDJASBXTMXXRZ-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000530037594 435041946 /nfs/dbraw/zinc/04/19/46/435041946.db2.gz KGGGGWSYSYKAOJ-CRAIPNDOSA-N 0 0 305.393 3.247 10 30 DGEERN CCOc1cc(I)cc(C#N)c1C(F)F ZINC000575667587 435041967 /nfs/dbraw/zinc/04/19/67/435041967.db2.gz RAJLNZJCVMRDAN-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1)c1ccccc1 ZINC000530078485 435042903 /nfs/dbraw/zinc/04/29/03/435042903.db2.gz GZCWUQSFJBIPJN-YOEHRIQHSA-N 0 0 323.396 3.206 10 30 DGEERN N#CCc1cc(Br)c([N+](=O)[O-])cc1OC(F)F ZINC000575686255 435044158 /nfs/dbraw/zinc/04/41/58/435044158.db2.gz OPCWOGWCJYRVQZ-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1cc(Br)cc([N+](=O)[O-])c1OC(F)F ZINC000575684231 435044531 /nfs/dbraw/zinc/04/45/31/435044531.db2.gz FTDBLXILESARNV-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN COc1cc(Br)c(Br)c(CC#N)c1 ZINC000575694333 435045428 /nfs/dbraw/zinc/04/54/28/435045428.db2.gz LVTPBWQRNMXSHV-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN N#CCc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000575694941 435045465 /nfs/dbraw/zinc/04/54/65/435045465.db2.gz NLQYICXIHVZWFG-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CS(C)(=O)=O ZINC000530563814 435046066 /nfs/dbraw/zinc/04/60/66/435046066.db2.gz HTMCBGQZOYPFBD-CYBMUJFWSA-N 0 0 323.458 3.158 10 30 DGEERN CCOc1cc(CC)c(CC#N)cc1I ZINC000575696948 435046696 /nfs/dbraw/zinc/04/66/96/435046696.db2.gz QZIZVAZOVYYFFY-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN COc1cc(I)c(CC#N)c(SC)c1 ZINC000575707666 435048957 /nfs/dbraw/zinc/04/89/57/435048957.db2.gz CENHOYQXKSYLTF-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN CSc1cc(I)c(C)c(CC#N)c1 ZINC000575710140 435049151 /nfs/dbraw/zinc/04/91/51/435049151.db2.gz VCNHTZLIBPQEDR-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN CSc1cc(I)cc(CC#N)c1C ZINC000575709186 435049503 /nfs/dbraw/zinc/04/95/03/435049503.db2.gz NQZFBWKQQCUXLJ-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000575743270 435052075 /nfs/dbraw/zinc/05/20/75/435052075.db2.gz GLUZRRDPJLQBRU-ZOBUZTSGSA-N 0 0 302.418 3.255 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557501026 435056076 /nfs/dbraw/zinc/05/60/76/435056076.db2.gz FRJMDDYRAQFGIK-BLLLJJGKSA-N 0 0 322.836 3.275 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)CC(C)C ZINC000559006212 435117793 /nfs/dbraw/zinc/11/77/93/435117793.db2.gz JDTGTCOIWXTDBH-UHFFFAOYSA-N 0 0 302.422 3.325 10 30 DGEERN C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cc1 ZINC000467387154 435119757 /nfs/dbraw/zinc/11/97/57/435119757.db2.gz FGAMQMHXBIEJLK-JQHSSLGASA-N 0 0 315.413 3.025 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000469532694 435131438 /nfs/dbraw/zinc/13/14/38/435131438.db2.gz GZYINJBLRLMTPT-IGQOVBAYSA-N 0 0 319.367 3.453 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000564393146 435272389 /nfs/dbraw/zinc/27/23/89/435272389.db2.gz CKCKBLOQKHPCAQ-HZPDHXFCSA-N 0 0 317.433 3.616 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000564887479 435275216 /nfs/dbraw/zinc/27/52/16/435275216.db2.gz NXURBSGROGDFKL-YJBOKZPZSA-N 0 0 323.396 3.461 10 30 DGEERN C=CCCCCCNC(=O)c1cc(C(=O)OCC)cnc1C ZINC000565205116 435276591 /nfs/dbraw/zinc/27/65/91/435276591.db2.gz AJVCLVAIZDKYRW-UHFFFAOYSA-N 0 0 304.390 3.043 10 30 DGEERN N#CC1(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 ZINC000565650725 435280893 /nfs/dbraw/zinc/28/08/93/435280893.db2.gz OYRAELHSTKVNJJ-UHFFFAOYSA-N 0 0 322.412 3.361 10 30 DGEERN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC(C)C)C(=O)[O-] ZINC000566743761 435288188 /nfs/dbraw/zinc/28/81/88/435288188.db2.gz SSBHYQZABKDSSI-OAHLLOKOSA-N 0 0 306.362 3.082 10 30 DGEERN COc1ccc(C[C@@H](C)C(=O)N[C@@](C)(C#N)CC(C)C)cc1 ZINC000533999545 435263686 /nfs/dbraw/zinc/26/36/86/435263686.db2.gz PKKHVTHNNCQHAP-RDTXWAMCSA-N 0 0 302.418 3.318 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000567659879 435340062 /nfs/dbraw/zinc/34/00/62/435340062.db2.gz SECLBNVOTRRJGL-QWRGUYRKSA-N 0 0 309.435 3.153 10 30 DGEERN COc1cc(OC2CC2)ccc1C(=O)N[C@@](C)(C#N)CC(C)C ZINC000479939189 435358954 /nfs/dbraw/zinc/35/89/54/435358954.db2.gz LJEHHAPTESYGQN-GOSISDBHSA-N 0 0 316.401 3.295 10 30 DGEERN C[C@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000510604935 435312833 /nfs/dbraw/zinc/31/28/33/435312833.db2.gz GJIZSURNHMEVGE-GFCCVEGCSA-N 0 0 324.421 3.287 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000568186254 435403727 /nfs/dbraw/zinc/40/37/27/435403727.db2.gz YMEXRHOLLXJSSP-ZDUSSCGKSA-N 0 0 322.371 3.486 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000513695085 435396113 /nfs/dbraw/zinc/39/61/13/435396113.db2.gz YHYNWVOEOFPQMR-CHWSQXEVSA-N 0 0 307.356 3.405 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC000514950809 435451833 /nfs/dbraw/zinc/45/18/33/435451833.db2.gz QGYVXARDBVJHPW-QFBILLFUSA-N 0 0 316.420 3.146 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000568816374 435473667 /nfs/dbraw/zinc/47/36/67/435473667.db2.gz JBDLLRRNHLYKRN-UONOGXRCSA-N 0 0 308.495 3.383 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000568367969 435429530 /nfs/dbraw/zinc/42/95/30/435429530.db2.gz CVXKORPIHDPSFF-INIZCTEOSA-N 0 0 318.392 3.429 10 30 DGEERN C=CCn1c(SCc2conc2C)nnc1-c1ccccn1 ZINC000514774588 435435786 /nfs/dbraw/zinc/43/57/86/435435786.db2.gz FBRUQSMBLPVDNM-UHFFFAOYSA-N 0 0 313.386 3.115 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000568452727 435437866 /nfs/dbraw/zinc/43/78/66/435437866.db2.gz LQXNWDPJAHCDKX-LLVKDONJSA-N 0 0 308.353 3.397 10 30 DGEERN C=CCC[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)C1CC1 ZINC000538614608 435509297 /nfs/dbraw/zinc/50/92/97/435509297.db2.gz GIPDQJOCKABGQB-QGZVFWFLSA-N 0 0 316.449 3.099 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H](CO)[C@@H](C)CCC)c1 ZINC000569247580 435516002 /nfs/dbraw/zinc/51/60/02/435516002.db2.gz BTFJQLMOVNPWIE-BBRMVZONSA-N 0 0 306.406 3.170 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000569298712 435519608 /nfs/dbraw/zinc/51/96/08/435519608.db2.gz DSNGLEYWRDXHRF-HNNXBMFYSA-N 0 0 306.454 3.060 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000538143570 435484861 /nfs/dbraw/zinc/48/48/61/435484861.db2.gz FRNHPUOXSNLOGS-GFCCVEGCSA-N 0 0 303.362 3.263 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000539447000 435553225 /nfs/dbraw/zinc/55/32/25/435553225.db2.gz PEPQVHPWDLRLRT-ZDUSSCGKSA-N 0 0 304.390 3.268 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Oc1cccc(C)c1 ZINC000485738014 435577106 /nfs/dbraw/zinc/57/71/06/435577106.db2.gz NLOZAPYSGWGLNT-KBAYOESNSA-N 0 0 317.429 3.250 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](C)[C@H]1CC ZINC000517204426 435582167 /nfs/dbraw/zinc/58/21/67/435582167.db2.gz VHAOYBNKGVNMFA-UKRRQHHQSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@@H](C)C[C@H]1CC ZINC000570087657 435587913 /nfs/dbraw/zinc/58/79/13/435587913.db2.gz UHDYTLVJRYEWBA-DZGCQCFKSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000518212873 435629511 /nfs/dbraw/zinc/62/95/11/435629511.db2.gz HOOHFRYGTSMNDK-NVXWUHKLSA-N 0 0 304.434 3.024 10 30 DGEERN COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000540976327 435629843 /nfs/dbraw/zinc/62/98/43/435629843.db2.gz YMQDSGJOQYTIOB-PXAZEXFGSA-N 0 0 314.360 3.090 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)NC[C@H](C)C#N)s2)cs1 ZINC000541017520 435632250 /nfs/dbraw/zinc/63/22/50/435632250.db2.gz FARVUGGMICJCAU-SECBINFHSA-N 0 0 320.443 3.139 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC000570742992 435646716 /nfs/dbraw/zinc/64/67/16/435646716.db2.gz OXOLKRIUNNEWHH-VQIMIIECSA-N 0 0 318.436 3.370 10 30 DGEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489811412 435651148 /nfs/dbraw/zinc/65/11/48/435651148.db2.gz PWVVBPLCBRNHKN-LBPRGKRZSA-N 0 0 322.455 3.334 10 30 DGEERN COCCSc1ccc([C@H](C)Nc2ccncc2C#N)cc1 ZINC000548480391 435696806 /nfs/dbraw/zinc/69/68/06/435696806.db2.gz YWPZBICJRRWXTQ-ZDUSSCGKSA-N 0 0 313.426 3.287 10 30 DGEERN C=CCCCCCNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000571819159 435743072 /nfs/dbraw/zinc/74/30/72/435743072.db2.gz QUAFFCWQHRANHR-GOEBONIOSA-N 0 0 312.479 3.087 10 30 DGEERN C=CCCCCCNC(=O)c1cn(CC)nc1C(F)(F)F ZINC000571892176 435752940 /nfs/dbraw/zinc/75/29/40/435752940.db2.gz BXVDBFFWSBQMKB-UHFFFAOYSA-N 0 0 303.328 3.398 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339704386 303183397 /nfs/dbraw/zinc/18/33/97/303183397.db2.gz IQTXGLPGTDZHTL-WBVHZDCISA-N 0 0 300.308 3.149 10 30 DGEERN Cc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000171315071 312716994 /nfs/dbraw/zinc/71/69/94/312716994.db2.gz KLNLADMXJQLMAY-UHFFFAOYSA-N 0 0 320.396 3.136 10 30 DGEERN CSc1ccc(F)cc1CNC(=O)Cc1cccc(C#N)c1 ZINC000530676311 313395343 /nfs/dbraw/zinc/39/53/43/313395343.db2.gz HWQMCVGJOPZNGI-UHFFFAOYSA-N 0 0 314.385 3.278 10 30 DGEERN CC1(C)CN(C(=O)Cc2cccc(C#N)c2)c2ccccc2O1 ZINC000533199336 313603966 /nfs/dbraw/zinc/60/39/66/313603966.db2.gz UJRBNYFTJQPDBG-UHFFFAOYSA-N 0 0 306.365 3.305 10 30 DGEERN CC(=O)c1cc(F)c(NC(=O)Cc2cccc(C#N)c2)c(F)c1 ZINC000537447858 313813847 /nfs/dbraw/zinc/81/38/47/313813847.db2.gz SHHBJBCGZMWYOV-UHFFFAOYSA-N 0 0 314.291 3.220 10 30 DGEERN COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000540976329 313991233 /nfs/dbraw/zinc/99/12/33/313991233.db2.gz YMQDSGJOQYTIOB-SJKOYZFVSA-N 0 0 314.360 3.090 10 30 DGEERN CCc1cc(NC(=O)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000545211357 314233668 /nfs/dbraw/zinc/23/36/68/314233668.db2.gz CIPSQQQYMVYGDV-UHFFFAOYSA-N 0 0 315.376 3.272 10 30 DGEERN CN(CCCOCc1ccccc1)C(=O)Cc1cccc(C#N)c1 ZINC000545286951 314241217 /nfs/dbraw/zinc/24/12/17/314241217.db2.gz UPHDCARHWSEUOH-UHFFFAOYSA-N 0 0 322.408 3.166 10 30 DGEERN COc1ccc(C)cc1Cc1noc(Cc2cccc(C#N)c2)n1 ZINC000545539963 314256864 /nfs/dbraw/zinc/25/68/64/314256864.db2.gz KNOGOHOCULTKKQ-UHFFFAOYSA-N 0 0 319.364 3.440 10 30 DGEERN Cc1sc(CCNc2ccncc2C#N)nc1-c1ccccc1 ZINC000545947372 314277624 /nfs/dbraw/zinc/27/76/24/314277624.db2.gz AJSJRUYEZQEGSS-UHFFFAOYSA-N 0 0 320.421 3.462 10 30 DGEERN C[C@H]1CCN(C(=O)Cc2cccc(C#N)c2)c2c(O)cccc21 ZINC000545953697 314278483 /nfs/dbraw/zinc/27/84/83/314278483.db2.gz AMDGYRAAHSVVLG-ZDUSSCGKSA-N 0 0 306.365 3.347 10 30 DGEERN N#Cc1cnccc1NCc1cc(Cl)ccc1OC(F)F ZINC000547825817 314399295 /nfs/dbraw/zinc/39/92/95/314399295.db2.gz DWEVDBCBJPMHAP-UHFFFAOYSA-N 0 0 309.703 3.242 10 30 DGEERN C[C@@H](Cc1ccccc1Br)Nc1ccncc1C#N ZINC000548162597 314428107 /nfs/dbraw/zinc/42/81/07/314428107.db2.gz JXJJEXZNYPUZAA-NSHDSACASA-N 0 0 316.202 3.181 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000563887073 315144593 /nfs/dbraw/zinc/14/45/93/315144593.db2.gz LUOMBWXSXYVWEG-INIZCTEOSA-N 0 0 308.356 3.256 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccccc2-c2cn[nH]c2)c1 ZINC000564035487 315153528 /nfs/dbraw/zinc/15/35/28/315153528.db2.gz KQCPPENQQBRSOV-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC(c2c[nH]nc2C)CC1 ZINC000564676454 315191570 /nfs/dbraw/zinc/19/15/70/315191570.db2.gz QLBBEXYYNSNNMJ-UHFFFAOYSA-N 0 0 308.385 3.176 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1ccc(F)c(F)c1 ZINC000190296958 323441298 /nfs/dbraw/zinc/44/12/98/323441298.db2.gz QFXLJCFHQSSDOF-UHFFFAOYSA-N 0 0 300.308 3.117 10 30 DGEERN CCN(c1cc(Br)c(C#N)cc1F)[C@H]1CCOC1 ZINC000386157948 323635740 /nfs/dbraw/zinc/63/57/40/323635740.db2.gz QBHIETVXMRPUAA-JTQLQIEISA-N 0 0 313.170 3.075 10 30 DGEERN C=CCCCCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000565488418 331700554 /nfs/dbraw/zinc/70/05/54/331700554.db2.gz HXMQBFMHJNTOGG-UHFFFAOYSA-N 0 0 308.389 3.369 10 30 DGEERN C=CCC[C@@H](Nc1cccc(C(=O)NCCOC)c1)C1CC1 ZINC000556913255 331753086 /nfs/dbraw/zinc/75/30/86/331753086.db2.gz XWDGFVRKHDIVGO-QGZVFWFLSA-N 0 0 302.418 3.220 10 30 DGEERN C=CCCCCCNS(=O)(=O)Cc1c(F)cccc1F ZINC000518396755 332025600 /nfs/dbraw/zinc/02/56/00/332025600.db2.gz KVIBRKHHMVVVRE-UHFFFAOYSA-N 0 0 303.374 3.131 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000533832511 332216204 /nfs/dbraw/zinc/21/62/04/332216204.db2.gz BAFUGKPIABMEGB-GFCCVEGCSA-N 0 0 312.360 3.260 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000292914952 335097686 /nfs/dbraw/zinc/09/76/86/335097686.db2.gz XGWGJUJPOFJDCM-AWEZNQCLSA-N 0 0 308.447 3.433 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000185016366 335103617 /nfs/dbraw/zinc/10/36/17/335103617.db2.gz NJVNYHGYSULRCZ-CABCVRRESA-N 0 0 312.417 3.389 10 30 DGEERN CCCOc1ccc([C@@H](C)NC(=O)CC#N)cc1OCCC ZINC000119790732 332378379 /nfs/dbraw/zinc/37/83/79/332378379.db2.gz ZYIQCVVCODJJEC-CYBMUJFWSA-N 0 0 304.390 3.355 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2cc(-c3ccoc3)n[nH]2)cc1 ZINC000560710597 332380004 /nfs/dbraw/zinc/38/00/04/332380004.db2.gz HPRJTYRUTRMECY-UHFFFAOYSA-N 0 0 323.352 3.165 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](C)n1cccc1 ZINC000561229604 332426851 /nfs/dbraw/zinc/42/68/51/332426851.db2.gz UKJGYBPHXWYVDI-HNNXBMFYSA-N 0 0 316.401 3.129 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc2ccccc21 ZINC000563024900 333071916 /nfs/dbraw/zinc/07/19/16/333071916.db2.gz VZBRGBKTPYZVDA-WMZOPIPTSA-N 0 0 310.397 3.230 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000563029663 333077700 /nfs/dbraw/zinc/07/77/00/333077700.db2.gz QWCFUCHIQQUBJV-GWCFXTLKSA-N 0 0 310.781 3.061 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000189614420 333164558 /nfs/dbraw/zinc/16/45/58/333164558.db2.gz CBZAABBMNKHLLG-ZDUSSCGKSA-N 0 0 321.380 3.136 10 30 DGEERN C=CC[C@H](CO)CNC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000497772392 333289214 /nfs/dbraw/zinc/28/92/14/333289214.db2.gz FBRAKMGIQMQFSK-ROUUACIJSA-N 0 0 303.446 3.192 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC=C(C)C1 ZINC000563127452 333395452 /nfs/dbraw/zinc/39/54/52/333395452.db2.gz XNFZQMYRQPTBAB-UHFFFAOYSA-N 0 0 315.446 3.443 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)c(C)cc1Cl ZINC000296430294 335144569 /nfs/dbraw/zinc/14/45/69/335144569.db2.gz DMXVLJWFURAHND-UHFFFAOYSA-N 0 0 308.809 3.320 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)c1nc(C)c(C(=O)OCC)s1 ZINC000185724734 335147652 /nfs/dbraw/zinc/14/76/52/335147652.db2.gz GGIHPMVQRZEZKG-SNVBAGLBSA-N 0 0 310.419 3.193 10 30 DGEERN C=CC[C@@H](CO)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000185701721 335148267 /nfs/dbraw/zinc/14/82/67/335148267.db2.gz WJOPHPUZVRZWGH-MARXPDLDSA-N 0 0 313.319 3.162 10 30 DGEERN C=C(C)C[C@H](C)C(=O)OCc1noc(-c2ccc(OC)cc2)n1 ZINC000185704630 335148451 /nfs/dbraw/zinc/14/84/51/335148451.db2.gz OIHJXZLRCNZKMX-LBPRGKRZSA-N 0 0 316.357 3.391 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)COc1cccc2cccnc21 ZINC000571432395 333788777 /nfs/dbraw/zinc/78/87/77/333788777.db2.gz AJDAZPNDMYQSEH-SFHVURJKSA-N 0 0 311.385 3.058 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[C@@H](CO)C2)c1 ZINC000416792903 334679873 /nfs/dbraw/zinc/67/98/73/334679873.db2.gz MOZXOCVWXXWWOA-CABCVRRESA-N 0 0 318.417 3.314 10 30 DGEERN C=C[C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000526980098 336277886 /nfs/dbraw/zinc/27/78/86/336277886.db2.gz PMRXVYNJACGDPE-DOTOQJQBSA-N 0 0 323.392 3.303 10 30 DGEERN C=CCn1c(SC[C@H](OC)C2CC2)nnc1-c1ccccn1 ZINC000582240378 336390919 /nfs/dbraw/zinc/39/09/19/336390919.db2.gz IPECESOVBNBSBQ-AWEZNQCLSA-N 0 0 316.430 3.043 10 30 DGEERN CCc1c(C(=O)N2CCC(C)(C#N)CC2)cnn1-c1ccccc1 ZINC000356975094 336568094 /nfs/dbraw/zinc/56/80/94/336568094.db2.gz HQYYANDQVMBAPU-UHFFFAOYSA-N 0 0 322.412 3.201 10 30 DGEERN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CC#N)C1CC1 ZINC000357697130 336594826 /nfs/dbraw/zinc/59/48/26/336594826.db2.gz SDWBNZRQDUEEQD-MRXNPFEDSA-N 0 0 300.402 3.482 10 30 DGEERN C=C(CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000359467291 336674126 /nfs/dbraw/zinc/67/41/26/336674126.db2.gz MCJIMCQOKCVACC-LJQANCHMSA-N 0 0 324.355 3.306 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188701729 337005153 /nfs/dbraw/zinc/00/51/53/337005153.db2.gz XLKDFVVZWBWBIO-KRWDZBQOSA-N 0 0 316.445 3.384 10 30 DGEERN C=CCCCCCNC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000582615505 337115058 /nfs/dbraw/zinc/11/50/58/337115058.db2.gz XYWUGEDDEAIALP-UHFFFAOYSA-N 0 0 306.372 3.123 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000582632025 337116284 /nfs/dbraw/zinc/11/62/84/337116284.db2.gz LISBROLITJPZOV-AWEZNQCLSA-N 0 0 313.401 3.340 10 30 DGEERN CC(=O)c1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1Cl ZINC000181025007 337179374 /nfs/dbraw/zinc/17/93/74/337179374.db2.gz RELUITQJEWYUJQ-INIZCTEOSA-N 0 0 321.808 3.009 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000583067170 337235085 /nfs/dbraw/zinc/23/50/85/337235085.db2.gz FSMULSWSAADNBQ-SUHUHFCYSA-N 0 0 317.414 3.000 10 30 DGEERN Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)s1 ZINC000190911987 337291262 /nfs/dbraw/zinc/29/12/62/337291262.db2.gz ZNYQUWVXFZAAPU-LLVKDONJSA-N 0 0 308.366 3.193 10 30 DGEERN N#Cc1ccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c(F)c1 ZINC000584598795 337370626 /nfs/dbraw/zinc/37/06/26/337370626.db2.gz JYIATLREBRAJGZ-UHFFFAOYSA-N 0 0 322.343 3.077 10 30 DGEERN NC(=S)N/N=C/c1ccc(Oc2ccccc2CF)cc1 ZINC000584605183 337371453 /nfs/dbraw/zinc/37/14/53/337371453.db2.gz HOXYQEGDGMBACK-VCHYOVAHSA-N 0 0 303.362 3.116 10 30 DGEERN CNC(=O)c1ccc(NC2(C#N)CCC(C)(C)CC2)cc1F ZINC000584655659 337377819 /nfs/dbraw/zinc/37/78/19/337377819.db2.gz QMVBZBBAZRVMOS-UHFFFAOYSA-N 0 0 303.381 3.460 10 30 DGEERN O=C1/C(=C/c2cc(O)cc(O)c2)CC/C1=C\c1cc(O)cc(O)c1 ZINC000584660951 337378293 /nfs/dbraw/zinc/37/82/93/337378293.db2.gz FPVXDVFIWMAFJM-NPJRDEIVSA-N 0 0 324.332 3.339 10 30 DGEERN C=CCCCCCNC(=O)c1cnn(C)c1Cc1ccccc1 ZINC000564096879 337453967 /nfs/dbraw/zinc/45/39/67/337453967.db2.gz RHTVKPQCOLLYNX-UHFFFAOYSA-N 0 0 311.429 3.487 10 30 DGEERN C=CCCCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000572012046 337586531 /nfs/dbraw/zinc/58/65/31/337586531.db2.gz JNYCLGLURNPICZ-UHFFFAOYSA-N 0 0 321.377 3.149 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1NCC ZINC000572275877 337602635 /nfs/dbraw/zinc/60/26/35/337602635.db2.gz JYYVSZLLXODETR-NHYWBVRUSA-N 0 0 308.809 3.093 10 30 DGEERN CCOc1c(F)cccc1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000162299280 337613151 /nfs/dbraw/zinc/61/31/51/337613151.db2.gz KAHJSHHGQCLZCF-OAHLLOKOSA-N 0 0 304.365 3.427 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCSCC2)c(Cl)cc1F ZINC000162560869 337637318 /nfs/dbraw/zinc/63/73/18/337637318.db2.gz BNNMCUVOVLHJSL-UHFFFAOYSA-N 0 0 312.797 3.307 10 30 DGEERN N#C[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000108831053 337841699 /nfs/dbraw/zinc/84/16/99/337841699.db2.gz KMLBCSIQZUUHRH-GFCCVEGCSA-N 0 0 317.801 3.495 10 30 DGEERN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000108839497 337842466 /nfs/dbraw/zinc/84/24/66/337842466.db2.gz FJMTZTGXYCEJJZ-BBRMVZONSA-N 0 0 300.402 3.304 10 30 DGEERN Cn1c(=O)oc2ccc(NCC#Cc3ccc(Cl)cc3)cc21 ZINC000085275730 338007960 /nfs/dbraw/zinc/00/79/60/338007960.db2.gz UALQCDZHLFPQRH-UHFFFAOYSA-N 0 0 312.756 3.249 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1ccc(SC)cc1 ZINC000516473797 338013156 /nfs/dbraw/zinc/01/31/56/338013156.db2.gz ZIOJOGBNMRSYHC-RDJZCZTQSA-N 0 0 319.470 3.439 10 30 DGEERN CC#CCCNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000499000596 340027651 /nfs/dbraw/zinc/02/76/51/340027651.db2.gz LLENYHNVNUXVOU-STQMWFEESA-N 0 0 311.303 3.218 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cc(C)cc(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000501016934 340072374 /nfs/dbraw/zinc/07/23/74/340072374.db2.gz WHYCZUPFWQSHMY-INIZCTEOSA-N 0 0 318.323 3.421 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000501316753 340078530 /nfs/dbraw/zinc/07/85/30/340078530.db2.gz NLMHGGPDRSRRIK-YQQAZPJKSA-N 0 0 317.429 3.125 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000505058169 340160301 /nfs/dbraw/zinc/16/03/01/340160301.db2.gz QOVLRLREIBGVIO-GOSISDBHSA-N 0 0 316.401 3.222 10 30 DGEERN C=C(C)CCN(C)S(=O)(=O)c1ccccc1Br ZINC000505694550 340175065 /nfs/dbraw/zinc/17/50/65/340175065.db2.gz NUEZZLOJJIFSQH-UHFFFAOYSA-N 0 0 318.236 3.036 10 30 DGEERN CC(C)C1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506604578 340197519 /nfs/dbraw/zinc/19/75/19/340197519.db2.gz XZDHZAVPDXLUNH-SFHVURJKSA-N 0 0 322.449 3.143 10 30 DGEERN C=CCCCN(C)c1nnc(COc2cc(C)ccc2C)n1C ZINC000508406485 340243422 /nfs/dbraw/zinc/24/34/22/340243422.db2.gz OVWBFXYGUKNKDE-UHFFFAOYSA-N 0 0 314.433 3.413 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1O ZINC000508644129 340249108 /nfs/dbraw/zinc/24/91/08/340249108.db2.gz AWCUNWIIOYUSNA-ZDUSSCGKSA-N 0 0 324.218 3.264 10 30 DGEERN C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CC1 ZINC000508811332 340253540 /nfs/dbraw/zinc/25/35/40/340253540.db2.gz GXCUBSNNOCKGBN-UHFFFAOYSA-N 0 0 321.428 3.469 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000509164554 340262819 /nfs/dbraw/zinc/26/28/19/340262819.db2.gz HTKCGOISBVJJRW-QGZVFWFLSA-N 0 0 304.459 3.279 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC000172905005 340347442 /nfs/dbraw/zinc/34/74/42/340347442.db2.gz IEPDIDBASDFOKL-AWEZNQCLSA-N 0 0 313.319 3.184 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000186977326 340517167 /nfs/dbraw/zinc/51/71/67/340517167.db2.gz POWHTJRFMCBTAJ-ZBFHGGJFSA-N 0 0 303.402 3.236 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000189719208 340539564 /nfs/dbraw/zinc/53/95/64/340539564.db2.gz BCNWRXYHSVIRJZ-AWEZNQCLSA-N 0 0 311.447 3.278 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000529243755 340749802 /nfs/dbraw/zinc/74/98/02/340749802.db2.gz HMURULGYWQSTOH-KOLCDFICSA-N 0 0 319.348 3.478 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCc2ccccc2CC1 ZINC000529247027 340750187 /nfs/dbraw/zinc/75/01/87/340750187.db2.gz PZXDRSWNLIDJRM-RBUKOAKNSA-N 0 0 313.441 3.279 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529502270 340758190 /nfs/dbraw/zinc/75/81/90/340758190.db2.gz POMCAPNSVDMFAA-SVGFKBNWSA-N 0 0 303.377 3.027 10 30 DGEERN C=CCCn1cc(C(=O)Nc2cc(Cl)cc(C)c2OC)nn1 ZINC000529848180 340771624 /nfs/dbraw/zinc/77/16/24/340771624.db2.gz 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/nfs/dbraw/zinc/06/23/61/341062361.db2.gz BPGUGDGNVPZZKY-QGZVFWFLSA-N 0 0 318.461 3.272 10 30 DGEERN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC(CC#N)CC1 ZINC000544121535 341071106 /nfs/dbraw/zinc/07/11/06/341071106.db2.gz JEJPXOIIXMQDRR-HNNXBMFYSA-N 0 0 324.783 3.319 10 30 DGEERN Cn1c(=O)c2ccccc2nc1SCC#Cc1ccccc1 ZINC000072262400 341071475 /nfs/dbraw/zinc/07/14/75/341071475.db2.gz RNHKRKUPXNVKMW-UHFFFAOYSA-N 0 0 306.390 3.077 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000544417933 341081468 /nfs/dbraw/zinc/08/14/68/341081468.db2.gz LOVKSNWQUQQJMU-QGZVFWFLSA-N 0 0 320.820 3.262 10 30 DGEERN C=CCOCCCC(=O)Nc1scc(C)c1C(=O)OCC ZINC000073849443 341122007 /nfs/dbraw/zinc/12/20/07/341122007.db2.gz IOOFNBUAFRKGIT-UHFFFAOYSA-N 0 0 311.403 3.155 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@](C)(O)CCC(C)C)cc1 ZINC000075130100 341166921 /nfs/dbraw/zinc/16/69/21/341166921.db2.gz CTOLOSYHAISRGM-SFHVURJKSA-N 0 0 305.418 3.168 10 30 DGEERN C=CCCO[C@@H](C)c1nc(-c2ccc3c(c2)CCC(=O)N3)no1 ZINC000547184508 341200226 /nfs/dbraw/zinc/20/02/26/341200226.db2.gz HKCZCJUAGUEIRU-NSHDSACASA-N 0 0 313.357 3.275 10 30 DGEERN C=C(C)COCC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000134501438 341216406 /nfs/dbraw/zinc/21/64/06/341216406.db2.gz MWGLNBSLMKNTQR-UHFFFAOYSA-N 0 0 303.324 3.310 10 30 DGEERN C=CCOc1ccccc1C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000134586014 341218946 /nfs/dbraw/zinc/21/89/46/341218946.db2.gz VVGFAJUPVXYMTO-NVXWUHKLSA-N 0 0 317.429 3.313 10 30 DGEERN C=CC[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)C)c1ccccc1 ZINC000547652227 341225284 /nfs/dbraw/zinc/22/52/84/341225284.db2.gz LLUAYIICLXURFL-SJORKVTESA-N 0 0 315.413 3.289 10 30 DGEERN C=CCSCCNC(=O)NCC1CC(c2ccccc2)C1 ZINC000548996569 341283266 /nfs/dbraw/zinc/28/32/66/341283266.db2.gz QOYOXTILQNFENK-UHFFFAOYSA-N 0 0 304.459 3.399 10 30 DGEERN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C)C1 ZINC000549260536 341289896 /nfs/dbraw/zinc/28/98/96/341289896.db2.gz FJLOWRRVMQKNMC-PBHICJAKSA-N 0 0 324.428 3.377 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)CCOC ZINC000549260359 341289901 /nfs/dbraw/zinc/28/99/01/341289901.db2.gz DAQOJTRPIZZCIZ-UHFFFAOYSA-N 0 0 318.396 3.051 10 30 DGEERN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1 ZINC000549272923 341290146 /nfs/dbraw/zinc/29/01/46/341290146.db2.gz QXLUWMHZZNIZNW-UHFFFAOYSA-N 0 0 307.401 3.239 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000549803943 341303424 /nfs/dbraw/zinc/30/34/24/341303424.db2.gz PTBBCFIINBDUET-MSOLQXFVSA-N 0 0 301.430 3.449 10 30 DGEERN C=CCC(C)(C)c1noc(-c2cccc(C(=O)NC3CC3)c2)n1 ZINC000551142827 341332467 /nfs/dbraw/zinc/33/24/67/341332467.db2.gz FUPCYJINWATCLS-UHFFFAOYSA-N 0 0 311.385 3.483 10 30 DGEERN CC(C)N(CCC#N)S(=O)(=O)c1cccc2ccccc21 ZINC000083990775 341356853 /nfs/dbraw/zinc/35/68/53/341356853.db2.gz NAOKBYQGFXCQAT-UHFFFAOYSA-N 0 0 302.399 3.153 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC(OC(C)C)CC1 ZINC000554630945 341460063 /nfs/dbraw/zinc/46/00/63/341460063.db2.gz HJDBIDBYZKQPLT-UHFFFAOYSA-N 0 0 316.405 3.118 10 30 DGEERN C=CCNC(=O)Cc1noc(-c2ccc(Cl)c(CCC)c2)n1 ZINC000554818672 341465205 /nfs/dbraw/zinc/46/52/05/341465205.db2.gz JDNUEWLYICLEBT-UHFFFAOYSA-N 0 0 319.792 3.187 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@H](OC(F)F)C1 ZINC000555219196 341477424 /nfs/dbraw/zinc/47/74/24/341477424.db2.gz OJASMIRKOIHJDX-NSHDSACASA-N 0 0 313.369 3.418 10 30 DGEERN C=CCCCNC(=O)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C ZINC000555754584 341489801 /nfs/dbraw/zinc/48/98/01/341489801.db2.gz FQJLZUSOTRMCJH-KRWDZBQOSA-N 0 0 316.445 3.145 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)NC(C)(C)C#N)c2)c1C ZINC000565846202 341540034 /nfs/dbraw/zinc/54/00/34/341540034.db2.gz JMRSBIXAIMRITO-UHFFFAOYSA-N 0 0 310.401 3.084 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000566141980 341548895 /nfs/dbraw/zinc/54/88/95/341548895.db2.gz RFKVYFJIFQWLFE-KCQAQPDRSA-N 0 0 306.431 3.090 10 30 DGEERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000153647658 341576308 /nfs/dbraw/zinc/57/63/08/341576308.db2.gz PNIXJSFJARNMHD-IINYFYTJSA-N 0 0 321.218 3.046 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H]1C(=O)N(CC)CC(=C)C ZINC000154265009 341587323 /nfs/dbraw/zinc/58/73/23/341587323.db2.gz RVSJGDLXOQMNLV-IRXDYDNUSA-N 0 0 320.477 3.252 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000567286850 341593400 /nfs/dbraw/zinc/59/34/00/341593400.db2.gz ZISDHGLZPUVEOG-UHFFFAOYSA-N 0 0 309.797 3.307 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000155243262 341604902 /nfs/dbraw/zinc/60/49/02/341604902.db2.gz UQJFESAITUFROB-UHFFFAOYSA-N 0 0 305.802 3.207 10 30 DGEERN C=C(C)CNC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000156228355 341618473 /nfs/dbraw/zinc/61/84/73/341618473.db2.gz AWKLUASJYCLHNY-UHFFFAOYSA-N 0 0 302.418 3.235 10 30 DGEERN C=C(C)CNC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000156346431 341620034 /nfs/dbraw/zinc/62/00/34/341620034.db2.gz SCWBEKDRNPOBKP-UHFFFAOYSA-N 0 0 313.445 3.047 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000568448168 341671591 /nfs/dbraw/zinc/67/15/91/341671591.db2.gz YRRUKNAYPCRHRP-DLBZAZTESA-N 0 0 308.429 3.352 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)Nc2ccccc2F)no1 ZINC000574556495 341762036 /nfs/dbraw/zinc/76/20/36/341762036.db2.gz UCRTVQBOZCXMDA-NSHDSACASA-N 0 0 303.337 3.460 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000574648929 341764907 /nfs/dbraw/zinc/76/49/07/341764907.db2.gz BMRUAKWGIYEKOF-DLBZAZTESA-N 0 0 323.481 3.164 10 30 DGEERN C=C(C)[C@H](CC(=O)NC[C@@H]1CSc2ccccc2O1)OCC ZINC000580648348 341891880 /nfs/dbraw/zinc/89/18/80/341891880.db2.gz GCVXZUCQAFYKET-HIFRSBDPSA-N 0 0 321.442 3.027 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCCCCC1 ZINC000577220167 341898187 /nfs/dbraw/zinc/89/81/87/341898187.db2.gz GUAQGENUXLLLSE-UHFFFAOYSA-N 0 0 303.435 3.276 10 30 DGEERN C=C(Cl)CNCc1ccccc1I ZINC000379358304 1177337660 /nfs/dbraw/zinc/33/76/60/1177337660.db2.gz UYYNNTZKYFXLOO-UHFFFAOYSA-N 0 0 307.562 3.133 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000177583552 533802001 /nfs/dbraw/zinc/80/20/01/533802001.db2.gz 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/nfs/dbraw/zinc/33/67/32/534336732.db2.gz XVBWKPKMAXBKFS-HNNXBMFYSA-N 0 0 320.343 3.147 10 30 DGEERN O=C(C[C@H]1CCCCC(=O)N1)Nc1cccc2c1OCCO2 ZINC000328681560 534338598 /nfs/dbraw/zinc/33/85/98/534338598.db2.gz VDSBRTNXRMXRDP-LLVKDONJSA-N 0 0 304.346 3.335 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)COc1c(C)cccc1C ZINC000469038415 534359465 /nfs/dbraw/zinc/35/94/65/534359465.db2.gz RSUFNZKVISECBM-GVDBMIGSSA-N 0 0 317.429 3.168 10 30 DGEERN C=CCc1cncc(OC[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000066055031 519148533 /nfs/dbraw/zinc/14/85/33/519148533.db2.gz AYPCXAHMBBPATL-AWEZNQCLSA-N 0 0 304.390 3.198 10 30 DGEERN C=CCn1c(N2CCC[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453445294 534442094 /nfs/dbraw/zinc/44/20/94/534442094.db2.gz UOPYSVRLYQOBIL-RHSMWYFYSA-N 0 0 304.438 3.116 10 30 DGEERN CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CCCCC1 ZINC000013305606 520398714 /nfs/dbraw/zinc/39/87/14/520398714.db2.gz XMNREPIORSOPRH-NBVRZTHBSA-N 0 0 309.797 3.114 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000455450393 534514855 /nfs/dbraw/zinc/51/48/55/534514855.db2.gz RMGYSCLJMGHFNB-UHFFFAOYSA-N 0 0 315.373 3.288 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](C)Cc2cccc(OC)c2)CC1 ZINC000494697615 534523308 /nfs/dbraw/zinc/52/33/08/534523308.db2.gz QOPAVLVWDGHDDT-CQSZACIVSA-N 0 0 302.418 3.234 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccccc1OCCOCC ZINC000489957966 534551162 /nfs/dbraw/zinc/55/11/62/534551162.db2.gz QINCPEIZZZPOIJ-UHFFFAOYSA-N 0 0 305.418 3.434 10 30 DGEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000330285197 534575135 /nfs/dbraw/zinc/57/51/35/534575135.db2.gz YNUOJORIKLGCHH-RTXFEEFZSA-N 0 0 324.446 3.218 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000452954579 534597643 /nfs/dbraw/zinc/59/76/43/534597643.db2.gz NJSMMRFHKSVMDC-KGLIPLIRSA-N 0 0 313.319 3.098 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CC[C@@H](C(=O)OCC)C2)CCCCC1 ZINC000451414211 534593385 /nfs/dbraw/zinc/59/33/85/534593385.db2.gz RXRSJNSIWIPNCT-CABCVRRESA-N 0 0 307.434 3.361 10 30 DGEERN N#CCCCCNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000170885541 534597524 /nfs/dbraw/zinc/59/75/24/534597524.db2.gz AVKNVRGDWLBHQO-MRXNPFEDSA-N 0 0 303.381 3.236 10 30 DGEERN N#CCCCCNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000172071042 534598070 /nfs/dbraw/zinc/59/80/70/534598070.db2.gz DUZDHSBCSCHROJ-UHFFFAOYSA-N 0 0 319.380 3.072 10 30 DGEERN C=CCC1(CNC(=O)N2CCC[C@@]3(CCOC3)C2)CCCC1 ZINC000455472039 534600132 /nfs/dbraw/zinc/60/01/32/534600132.db2.gz ZOYGUJXOYXNOJS-GOSISDBHSA-N 0 0 306.450 3.335 10 30 DGEERN COc1cc(/C=N\n2cnnc2)ccc1OCc1ccc(C)cc1 ZINC000033282002 522011007 /nfs/dbraw/zinc/01/10/07/522011007.db2.gz MHWBEAKNLVAWFJ-FBHDLOMBSA-N 0 0 322.368 3.056 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000488874115 534693398 /nfs/dbraw/zinc/69/33/98/534693398.db2.gz CRCPEMUXDDMWCZ-INIZCTEOSA-N 0 0 312.417 3.268 10 30 DGEERN O=C(c1ccc(NCC#Cc2ccccc2)cc1)N1CCCC1 ZINC000190328690 534713764 /nfs/dbraw/zinc/71/37/64/534713764.db2.gz KIMPLLOHPDZOTB-UHFFFAOYSA-N 0 0 304.393 3.386 10 30 DGEERN N#CCc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000192885841 534729596 /nfs/dbraw/zinc/72/95/96/534729596.db2.gz GNEKTHAGRUJBCW-UHFFFAOYSA-N 0 0 315.376 3.432 10 30 DGEERN C=CCCCS(=O)(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000489555286 534742837 /nfs/dbraw/zinc/74/28/37/534742837.db2.gz HXZAESOOALCTGX-UHFFFAOYSA-N 0 0 316.426 3.134 10 30 DGEERN C=CCN(Cc1cccs1)c1nnc([C@@]2(C)CCCO2)n1C ZINC000453431497 534841905 /nfs/dbraw/zinc/84/19/05/534841905.db2.gz SEXUQVRQJQZIEO-MRXNPFEDSA-N 0 0 318.446 3.095 10 30 DGEERN C[C@@H]1Cc2ccccc2CN1Cc1cnc2ccc(C#N)cn12 ZINC000179909771 525525837 /nfs/dbraw/zinc/52/58/37/525525837.db2.gz ZANFHMZXFLBFID-CQSZACIVSA-N 0 0 302.381 3.153 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2nc(COC)cs2)cc1 ZINC000449870471 534881986 /nfs/dbraw/zinc/88/19/86/534881986.db2.gz KMDHWIBACMISDM-UHFFFAOYSA-N 0 0 318.398 3.036 10 30 DGEERN C=CCN(CCOC)C(=O)CCCC(=O)c1ccc(C)cc1 ZINC000357154576 526285640 /nfs/dbraw/zinc/28/56/40/526285640.db2.gz DJMKPPXKIJMTDK-UHFFFAOYSA-N 0 0 303.402 3.009 10 30 DGEERN CC#CCCCC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000367414838 526290581 /nfs/dbraw/zinc/29/05/81/526290581.db2.gz HUPXOBWUEGWJKT-UHFFFAOYSA-N 0 0 320.383 3.197 10 30 DGEERN C=CCN(CCOC)C(=O)c1sc(C2CCCC2)nc1C ZINC000191978166 526299226 /nfs/dbraw/zinc/29/92/26/526299226.db2.gz YWWIWNHCODGWFR-UHFFFAOYSA-N 0 0 308.447 3.384 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000346486867 526310785 /nfs/dbraw/zinc/31/07/85/526310785.db2.gz VCGFLDLHEUSDJA-QGZVFWFLSA-N 0 0 311.429 3.318 10 30 DGEERN C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCS2)n1C ZINC000424107899 526328627 /nfs/dbraw/zinc/32/86/27/526328627.db2.gz ZJADYIQAWRUJQD-AWEZNQCLSA-N 0 0 318.446 3.211 10 30 DGEERN C=CCN(CCc1ccco1)c1ncncc1Br ZINC000352085362 526328761 /nfs/dbraw/zinc/32/87/61/526328761.db2.gz ZTIDHIIEGBNODC-UHFFFAOYSA-N 0 0 308.179 3.067 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)CCOCC1CC1 ZINC000433872519 526335668 /nfs/dbraw/zinc/33/56/68/526335668.db2.gz KTBDULQFLUAURJ-UHFFFAOYSA-N 0 0 303.402 3.027 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cccc(-n2cncn2)c1 ZINC000359837828 526357364 /nfs/dbraw/zinc/35/73/64/526357364.db2.gz AXWKGIOCQWBBPV-UHFFFAOYSA-N 0 0 318.380 3.096 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)C1CCOCC1 ZINC000121840388 526363470 /nfs/dbraw/zinc/36/34/70/526363470.db2.gz HCRUDLKJXTXMJW-CQSZACIVSA-N 0 0 305.393 3.403 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1cccnn1 ZINC000358274064 526372029 /nfs/dbraw/zinc/37/20/29/526372029.db2.gz USHJSDWRXRHUOV-GFCCVEGCSA-N 0 0 319.455 3.234 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1cccnn1 ZINC000358274068 526374528 /nfs/dbraw/zinc/37/45/28/526374528.db2.gz USHJSDWRXRHUOV-LBPRGKRZSA-N 0 0 319.455 3.234 10 30 DGEERN CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000443370484 526377354 /nfs/dbraw/zinc/37/73/54/526377354.db2.gz PLFBJCXHWHLLDS-LLVKDONJSA-N 0 0 304.699 3.266 10 30 DGEERN C=CCN(Cc1nc2cc(Br)ccc2[nH]1)C1CC1 ZINC000360140306 526383241 /nfs/dbraw/zinc/38/32/41/526383241.db2.gz OFLSDTDEPAJSLO-UHFFFAOYSA-N 0 0 306.207 3.476 10 30 DGEERN C=CCN(c1nnc(CCCc2cccs2)n1C)C1CC1 ZINC000350162457 526387140 /nfs/dbraw/zinc/38/71/40/526387140.db2.gz YEUWTEJTHYVLIJ-UHFFFAOYSA-N 0 0 302.447 3.207 10 30 DGEERN C=CCN1C(=O)N(CC2(C)CCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431194917 526402759 /nfs/dbraw/zinc/40/27/59/526402759.db2.gz VVEHGEVIWGBKNO-MRXNPFEDSA-N 0 0 312.413 3.238 10 30 DGEERN C=CCN1C(=O)N(C[C@H](C)C(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000431257026 526404616 /nfs/dbraw/zinc/40/46/16/526404616.db2.gz JQMJXGFVQWUJGS-DOTOQJQBSA-N 0 0 314.429 3.340 10 30 DGEERN CC(=O)N(C)c1ccccc1NCCCC1(C#N)CCOCC1 ZINC000347851218 526483973 /nfs/dbraw/zinc/48/39/73/526483973.db2.gz OKZSNDJGBYVVSR-UHFFFAOYSA-N 0 0 315.417 3.182 10 30 DGEERN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc(Cl)c2F)C1=O ZINC000337232567 526502432 /nfs/dbraw/zinc/50/24/32/526502432.db2.gz VOJXBZNHNMHDAE-FZMZJTMJSA-N 0 0 310.800 3.259 10 30 DGEERN C=C(C)CN(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCO1 ZINC000338996583 526507798 /nfs/dbraw/zinc/50/77/98/526507798.db2.gz MXHAJKSIDSJLKU-CQSZACIVSA-N 0 0 316.405 3.038 10 30 DGEERN C=C(C)CN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCO1 ZINC000338996580 526508070 /nfs/dbraw/zinc/50/80/70/526508070.db2.gz MXHAJKSIDSJLKU-AWEZNQCLSA-N 0 0 316.405 3.038 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434900035 526534148 /nfs/dbraw/zinc/53/41/48/526534148.db2.gz BSMYOIPVWORNJY-UHFFFAOYSA-N 0 0 322.405 3.451 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000433219395 526534321 /nfs/dbraw/zinc/53/43/21/526534321.db2.gz LYAURAIOXDLGDL-UHFFFAOYSA-N 0 0 318.421 3.282 10 30 DGEERN C=C(C)CN(CC)C(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000368630208 526547057 /nfs/dbraw/zinc/54/70/57/526547057.db2.gz CXEBEVUPXIAXID-CYBMUJFWSA-N 0 0 308.447 3.384 10 30 DGEERN C=CCNC(=O)CSCc1ccc(Br)c(F)c1 ZINC000177561939 526576023 /nfs/dbraw/zinc/57/60/23/526576023.db2.gz ONKLDEVTMHTTBX-UHFFFAOYSA-N 0 0 318.211 3.124 10 30 DGEERN C=C(C)CNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000428115171 526620871 /nfs/dbraw/zinc/62/08/71/526620871.db2.gz KSQYUINYVNXFAP-LJQANCHMSA-N 0 0 306.409 3.483 10 30 DGEERN C=C(C)COCCNC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000136182902 526631419 /nfs/dbraw/zinc/63/14/19/526631419.db2.gz PIPZURFSQGWHLK-INIZCTEOSA-N 0 0 317.429 3.214 10 30 DGEERN C=CCNC(=O)c1ccc(N2CC[C@H](c3ccc(C)cc3)C2)nc1 ZINC000302140791 526643420 /nfs/dbraw/zinc/64/34/20/526643420.db2.gz JHYWIRDHAYKMLL-SFHVURJKSA-N 0 0 321.424 3.300 10 30 DGEERN C=C(C)COCCNc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000354472749 526658466 /nfs/dbraw/zinc/65/84/66/526658466.db2.gz VWOHTTVGHHQTTC-UHFFFAOYSA-N 0 0 302.378 3.260 10 30 DGEERN N#Cc1ccc(NCc2ccn(C3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000154742854 526664945 /nfs/dbraw/zinc/66/49/45/526664945.db2.gz NOAGETNBRFCOFM-UHFFFAOYSA-N 0 0 311.345 3.390 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@@]23CCOC3)c1 ZINC000421053739 526668582 /nfs/dbraw/zinc/66/85/82/526668582.db2.gz PHDSPWJPVIVSDS-KRWDZBQOSA-N 0 0 302.374 3.038 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000287459564 526673908 /nfs/dbraw/zinc/67/39/08/526673908.db2.gz HCQUPOZWIBJBON-UHFFFAOYSA-N 0 0 316.813 3.229 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1nc(-c2cccc(O)c2)cs1 ZINC000377577101 526675615 /nfs/dbraw/zinc/67/56/15/526675615.db2.gz KGTIIIZUFCCXIR-UHFFFAOYSA-N 0 0 310.378 3.117 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(C)cc1N1CCOCC1 ZINC000341488676 526699101 /nfs/dbraw/zinc/69/91/01/526699101.db2.gz ZQSLKVDISDGVOJ-MRXNPFEDSA-N 0 0 316.445 3.050 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000281215754 526702713 /nfs/dbraw/zinc/70/27/13/526702713.db2.gz USKJLXYKPYBXNA-OAHLLOKOSA-N 0 0 302.418 3.372 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ncc(OC)cc1Br ZINC000345838562 526703034 /nfs/dbraw/zinc/70/30/34/526703034.db2.gz ALTOQJOAOJOONK-SECBINFHSA-N 0 0 313.195 3.394 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(Cc2nncn2-c2ccccc2)no1 ZINC000289332980 526704788 /nfs/dbraw/zinc/70/47/88/526704788.db2.gz ZUPSBZBRTGZEJA-CYBMUJFWSA-N 0 0 309.373 3.311 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC ZINC000185984158 526713386 /nfs/dbraw/zinc/71/33/86/526713386.db2.gz DWKFFQBEICZSST-ZDUSSCGKSA-N 0 0 318.417 3.328 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000185367280 526713997 /nfs/dbraw/zinc/71/39/97/526713997.db2.gz XVORESUXTHHFAX-ZDUSSCGKSA-N 0 0 300.402 3.428 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000184230980 526714549 /nfs/dbraw/zinc/71/45/49/526714549.db2.gz QLSPQNDYNTXLOE-AWEZNQCLSA-N 0 0 302.418 3.189 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC000185596474 526714778 /nfs/dbraw/zinc/71/47/78/526714778.db2.gz NNJJQELCTAJBQO-FPTDNZKUSA-N 0 0 323.458 3.123 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297797660 526715836 /nfs/dbraw/zinc/71/58/36/526715836.db2.gz RWGAERYRLWEXSD-VIFPVBQESA-N 0 0 323.194 3.033 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)C[C@H]1CCCCO1 ZINC000338789441 526719166 /nfs/dbraw/zinc/71/91/66/526719166.db2.gz QFCPSQJRVSEBBE-OAHLLOKOSA-N 0 0 316.405 3.120 10 30 DGEERN C=CCOCCCC(=O)N1CCN(CCC)c2cc(F)ccc21 ZINC000360476935 526732339 /nfs/dbraw/zinc/73/23/39/526732339.db2.gz JXPXZZARHMQCGQ-UHFFFAOYSA-N 0 0 320.408 3.372 10 30 DGEERN C=CCOCCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000173623288 526737755 /nfs/dbraw/zinc/73/77/55/526737755.db2.gz RYOXPODXVWDYDQ-WBVHZDCISA-N 0 0 317.429 3.382 10 30 DGEERN C=C(C)[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185465430 526754093 /nfs/dbraw/zinc/75/40/93/526754093.db2.gz WUOZYRXNDUXVIB-XJKSGUPXSA-N 0 0 324.371 3.402 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc(F)ccc1SC ZINC000346122491 526763232 /nfs/dbraw/zinc/76/32/32/526763232.db2.gz XRRZXZJNGONUAO-ZFWWWQNUSA-N 0 0 309.406 3.145 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000373889489 526770427 /nfs/dbraw/zinc/77/04/27/526770427.db2.gz DFGUZZGLWZFHGP-KHYOSLBOSA-N 0 0 315.413 3.040 10 30 DGEERN C=CCOCCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000339081653 526772352 /nfs/dbraw/zinc/77/23/52/526772352.db2.gz WYRFRRGILUDREE-HNNXBMFYSA-N 0 0 315.335 3.281 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OCC(C)C)CC1 ZINC000331225463 526791400 /nfs/dbraw/zinc/79/14/00/526791400.db2.gz DXFAXJXGAUTDED-RDJZCZTQSA-N 0 0 324.465 3.019 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(SC)cc1 ZINC000437635892 526797219 /nfs/dbraw/zinc/79/72/19/526797219.db2.gz QSWBCNJGNOXNPL-HOCLYGCPSA-N 0 0 320.458 3.189 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)Cc1cccc(OC)c1)OCC ZINC000339375119 526814556 /nfs/dbraw/zinc/81/45/56/526814556.db2.gz XBQYPSATIFPMAF-YOEHRIQHSA-N 0 0 305.418 3.114 10 30 DGEERN C=C(C)[C@H](NC(=O)Nc1nncs1)c1ccc(F)c(F)c1 ZINC000185501922 526818826 /nfs/dbraw/zinc/81/88/26/526818826.db2.gz RPSILRKWJYKBJR-NSHDSACASA-N 0 0 310.329 3.255 10 30 DGEERN C=CCO[C@H]1CCN(c2nc3ccccc3nc2N2CCCC2)C1 ZINC000302089581 526820921 /nfs/dbraw/zinc/82/09/21/526820921.db2.gz AQTIESSRMFTRJW-HNNXBMFYSA-N 0 0 324.428 3.011 10 30 DGEERN C=CCOc1ccc(/C=C/c2ncc(C(=O)NC)s2)cc1 ZINC000338838294 526832284 /nfs/dbraw/zinc/83/22/84/526832284.db2.gz BOOGWOWLGODKPG-RMKNXTFCSA-N 0 0 300.383 3.238 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000358938099 526842478 /nfs/dbraw/zinc/84/24/78/526842478.db2.gz JNPUSMQPMZKJTQ-TZMCWYRMSA-N 0 0 315.398 3.125 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2csc(CC)n2)cc1 ZINC000341068917 526848270 /nfs/dbraw/zinc/84/82/70/526848270.db2.gz ZAPBYOSRSJUUOP-UHFFFAOYSA-N 0 0 302.399 3.200 10 30 DGEERN C=C(CN1C(=O)N[C@@H](CCC(C)(C)C)C1=O)c1ccccc1 ZINC000352689854 526862770 /nfs/dbraw/zinc/86/27/70/526862770.db2.gz AXOAOEORYAYCSL-HNNXBMFYSA-N 0 0 300.402 3.447 10 30 DGEERN C=C(CNC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000345819073 526864725 /nfs/dbraw/zinc/86/47/25/526864725.db2.gz AFZOYLOUWDBMJN-UHFFFAOYSA-N 0 0 323.392 3.220 10 30 DGEERN C=C(CNC(=O)CCc1nc(C(C)(C)C)no1)c1ccccc1 ZINC000360225484 526865229 /nfs/dbraw/zinc/86/52/29/526865229.db2.gz JTCZGPGKTTZSBC-UHFFFAOYSA-N 0 0 313.401 3.129 10 30 DGEERN C=C(CNC(=O)NC[C@](C)(O)CCC(C)C)c1ccccc1 ZINC000358595948 526871533 /nfs/dbraw/zinc/87/15/33/526871533.db2.gz VQFKWDNEWAAGCV-GOSISDBHSA-N 0 0 304.434 3.186 10 30 DGEERN C=C(CNC(=O)Nc1nc(COC)cs1)c1ccccc1 ZINC000349447433 526876520 /nfs/dbraw/zinc/87/65/20/526876520.db2.gz CRUKPTLIRZAILW-UHFFFAOYSA-N 0 0 303.387 3.124 10 30 DGEERN C=C(CNC(=O)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000345748294 526880539 /nfs/dbraw/zinc/88/05/39/526880539.db2.gz MWPGLJGIHCQOLA-UHFFFAOYSA-N 0 0 302.761 3.187 10 30 DGEERN C=C(Cl)CNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000363839777 526889585 /nfs/dbraw/zinc/88/95/85/526889585.db2.gz ZTGDBGKLRCBYOK-AWEZNQCLSA-N 0 0 322.840 3.427 10 30 DGEERN C=C1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000359404051 526894692 /nfs/dbraw/zinc/89/46/92/526894692.db2.gz IFINXIZOOBFNJC-UHFFFAOYSA-N 0 0 324.218 3.179 10 30 DGEERN C=CCOc1cccc(N2C(=O)[C@@H](CC(C)C)N(C)C2=O)c1 ZINC000445994899 526904826 /nfs/dbraw/zinc/90/48/26/526904826.db2.gz XRCPBFIGDKQXNR-OAHLLOKOSA-N 0 0 302.374 3.065 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](OC)C2)c1 ZINC000190048120 526914046 /nfs/dbraw/zinc/91/40/46/526914046.db2.gz YMUYMBRIHCMDOH-CZUORRHYSA-N 0 0 304.390 3.140 10 30 DGEERN C=CCOc1cccc(NS(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000352945332 526920464 /nfs/dbraw/zinc/92/04/64/526920464.db2.gz AIQLGWDJXLJYIZ-UHFFFAOYSA-N 0 0 320.414 3.077 10 30 DGEERN C=CCOc1ccccc1C=Cc1nc2cnccc2c(=O)[nH]1 ZINC000434934518 526922254 /nfs/dbraw/zinc/92/22/54/526922254.db2.gz QALGTQAGWOKETA-FPLPWBNLSA-N 0 0 305.337 3.053 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1nccn1CC(C)C ZINC000131319474 526927049 /nfs/dbraw/zinc/92/70/49/526927049.db2.gz OJSHIWIVRVAYFW-UHFFFAOYSA-N 0 0 313.401 3.034 10 30 DGEERN C=CCOc1ccccc1CN(CCO)Cc1ccc(C)o1 ZINC000355654455 526929926 /nfs/dbraw/zinc/92/99/26/526929926.db2.gz LLSHDSPZGVMXBD-UHFFFAOYSA-N 0 0 301.386 3.147 10 30 DGEERN C=CCOc1ccccc1CN1C(=O)[C@@H](CC(C)C)N(C)C1=O ZINC000431327996 526931010 /nfs/dbraw/zinc/93/10/10/526931010.db2.gz UTOUFHHCWCDIJQ-OAHLLOKOSA-N 0 0 316.401 3.060 10 30 DGEERN CC(C)(C)n1nccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179800878 526941263 /nfs/dbraw/zinc/94/12/63/526941263.db2.gz ZSHWCOGHRPPGRW-UHFFFAOYSA-N 0 0 308.385 3.446 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NCCC1(F)CCC1 ZINC000344823980 526941741 /nfs/dbraw/zinc/94/17/41/526941741.db2.gz HQHSVUBITWWWJS-UHFFFAOYSA-N 0 0 306.381 3.333 10 30 DGEERN C=CCOc1ccccc1CNc1cccc(-n2nnnc2C)c1 ZINC000124946768 526951978 /nfs/dbraw/zinc/95/19/78/526951978.db2.gz JTZAEHLPDKHIPU-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN C=CCOc1cccnc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000357685825 526963625 /nfs/dbraw/zinc/96/36/25/526963625.db2.gz HTXCWZFXENZFDX-HZPDHXFCSA-N 0 0 308.381 3.180 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000341546310 526965619 /nfs/dbraw/zinc/96/56/19/526965619.db2.gz MKLRIHIUCLDRMZ-OAHLLOKOSA-N 0 0 324.380 3.127 10 30 DGEERN C=CC1CCN(c2nnc(Cc3ccsc3)n2CC)CC1 ZINC000338607092 526985222 /nfs/dbraw/zinc/98/52/22/526985222.db2.gz MUGKTPDPAXGGDF-UHFFFAOYSA-N 0 0 302.447 3.353 10 30 DGEERN C=CCC(C)(C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000347156023 526994358 /nfs/dbraw/zinc/99/43/58/526994358.db2.gz LVKLQDGIXZDRSR-UHFFFAOYSA-N 0 0 303.337 3.094 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000352420917 526995292 /nfs/dbraw/zinc/99/52/92/526995292.db2.gz IJSJLWSKILKTOC-DLBZAZTESA-N 0 0 309.413 3.447 10 30 DGEERN C=CCC(C)(C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000432894191 526996336 /nfs/dbraw/zinc/99/63/36/526996336.db2.gz VQQJXTXTESWKEC-UHFFFAOYSA-N 0 0 311.385 3.286 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCCOc1ccc(F)cc1F ZINC000432096978 527006669 /nfs/dbraw/zinc/00/66/69/527006669.db2.gz ZMYGWZDRSNKGCD-UHFFFAOYSA-N 0 0 312.360 3.245 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000432097009 527008293 /nfs/dbraw/zinc/00/82/93/527008293.db2.gz HFJITJZDUKJWNM-LBPRGKRZSA-N 0 0 304.390 3.378 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000342539900 527009307 /nfs/dbraw/zinc/00/93/07/527009307.db2.gz CHQAZVRSULBMNB-ZFWWWQNUSA-N 0 0 305.443 3.462 10 30 DGEERN C=CCC(C)(C)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000432260004 527018384 /nfs/dbraw/zinc/01/83/84/527018384.db2.gz RVDGJFKYDUUAGC-UHFFFAOYSA-N 0 0 305.802 3.360 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000281272073 527037832 /nfs/dbraw/zinc/03/78/32/527037832.db2.gz HHBFRSGMHQLYOP-CQSZACIVSA-N 0 0 302.349 3.494 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCOCC1 ZINC000425642490 527039371 /nfs/dbraw/zinc/03/93/71/527039371.db2.gz YXJPBZROYQBXMT-OAHLLOKOSA-N 0 0 312.413 3.451 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413504561 527047086 /nfs/dbraw/zinc/04/70/86/527047086.db2.gz AXGGIEGSIRHHII-HUUCEWRRSA-N 0 0 305.397 3.058 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000337086828 527050994 /nfs/dbraw/zinc/05/09/94/527050994.db2.gz FMADEUFSPJFMAJ-GFCCVEGCSA-N 0 0 302.374 3.270 10 30 DGEERN C=CCC1(C(=O)NCc2ccc3ccccc3n2)CCOCC1 ZINC000424585199 527056652 /nfs/dbraw/zinc/05/66/52/527056652.db2.gz PMYXCRKSIBJICM-UHFFFAOYSA-N 0 0 310.397 3.224 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2cccc(OC)c2)CCOCC1 ZINC000424578588 527056989 /nfs/dbraw/zinc/05/69/89/527056989.db2.gz XQFWVWWPTCOFAD-AWEZNQCLSA-N 0 0 303.402 3.245 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)CCOCC1 ZINC000424792453 527058339 /nfs/dbraw/zinc/05/83/39/527058339.db2.gz YWNIPDMKNBQBDC-HUUCEWRRSA-N 0 0 309.450 3.068 10 30 DGEERN C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CCOCC1 ZINC000425619215 527060334 /nfs/dbraw/zinc/06/03/34/527060334.db2.gz GOKFXKOERUSNPJ-UHFFFAOYSA-N 0 0 318.373 3.469 10 30 DGEERN C=CCC1(C(=O)Nc2cnn(CCC)c2C2CC2)CCOCC1 ZINC000424866629 527062211 /nfs/dbraw/zinc/06/22/11/527062211.db2.gz OQNIWIDJRVXDMS-UHFFFAOYSA-N 0 0 317.433 3.482 10 30 DGEERN C=CCCC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000359525187 527076836 /nfs/dbraw/zinc/07/68/36/527076836.db2.gz NXBMVIONBRURIX-DOTOQJQBSA-N 0 0 315.413 3.121 10 30 DGEERN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000160944923 527078243 /nfs/dbraw/zinc/07/82/43/527078243.db2.gz APVRTFMQXRQUPO-CYBMUJFWSA-N 0 0 321.380 3.316 10 30 DGEERN C=CC[C@@H](CO)NC(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC000185694542 527084223 /nfs/dbraw/zinc/08/42/23/527084223.db2.gz QKTOHMYBJLURQD-ZKQHCESOSA-N 0 0 313.319 3.162 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000185245214 527088889 /nfs/dbraw/zinc/08/88/89/527088889.db2.gz SZLUFPDSALYVTO-SFHVURJKSA-N 0 0 324.424 3.055 10 30 DGEERN C#CCOc1ccc(C(=O)N(CCC)CCc2ccccn2)cc1 ZINC000162298217 527093639 /nfs/dbraw/zinc/09/36/39/527093639.db2.gz DZJCIJKDMFLOKR-UHFFFAOYSA-N 0 0 322.408 3.189 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cscn1 ZINC000413199246 527110117 /nfs/dbraw/zinc/11/01/17/527110117.db2.gz JBOXWAFLZSCKIL-AWEZNQCLSA-N 0 0 301.415 3.130 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000412848860 527112097 /nfs/dbraw/zinc/11/20/97/527112097.db2.gz ZIWPYHGCRHTHDK-HOTGVXAUSA-N 0 0 309.413 3.133 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2nn(CC)cc2[N+](=O)[O-])CCCC1(C)C ZINC000443864160 527118668 /nfs/dbraw/zinc/11/86/68/527118668.db2.gz ZDNWCKGBQZARFR-ZDUSSCGKSA-N 0 0 320.393 3.018 10 30 DGEERN C=CCCCCCN(C)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000156820348 527126947 /nfs/dbraw/zinc/12/69/47/527126947.db2.gz MMIUHXOUCXQFRI-UHFFFAOYSA-N 0 0 318.446 3.362 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000188028993 527134207 /nfs/dbraw/zinc/13/42/07/527134207.db2.gz DXDHPJDQIGLIES-OAHLLOKOSA-N 0 0 322.364 3.344 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000341443478 527158020 /nfs/dbraw/zinc/15/80/20/527158020.db2.gz XBHGFRGWSAHPPW-KBPBESRZSA-N 0 0 312.479 3.085 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000337089343 527161535 /nfs/dbraw/zinc/16/15/35/527161535.db2.gz IKLFVTBEJVJPLJ-JTQLQIEISA-N 0 0 314.288 3.281 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000297852870 527172337 /nfs/dbraw/zinc/17/23/37/527172337.db2.gz MNSYHZAVUTWPKS-ZDUSSCGKSA-N 0 0 322.836 3.284 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000417692477 527172509 /nfs/dbraw/zinc/17/25/09/527172509.db2.gz AHCHBWCXDVGRMM-GJZGRUSLSA-N 0 0 308.466 3.084 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCn2cccc2[C@@H]1C ZINC000288238265 527172866 /nfs/dbraw/zinc/17/28/66/527172866.db2.gz SBOYYCFDULMVRW-FUHWJXTLSA-N 0 0 321.424 3.209 10 30 DGEERN C=CCCCN(C)C(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000340551227 527181140 /nfs/dbraw/zinc/18/11/40/527181140.db2.gz RHBFNFDSOXBBAT-OFLPRAFFSA-N 0 0 309.450 3.165 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCSC ZINC000371686931 527193882 /nfs/dbraw/zinc/19/38/82/527193882.db2.gz KORWTMIMCRSNEK-UHFFFAOYSA-N 0 0 313.426 3.265 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000185859888 527207153 /nfs/dbraw/zinc/20/71/53/527207153.db2.gz JUFUHEBGAAOSAZ-OAHLLOKOSA-N 0 0 304.434 3.277 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1CCc1ccccc1 ZINC000185890217 527208095 /nfs/dbraw/zinc/20/80/95/527208095.db2.gz OFQJMNOWXRSNPY-GOSISDBHSA-N 0 0 309.409 3.139 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000185756954 527208908 /nfs/dbraw/zinc/20/89/08/527208908.db2.gz PZIPVZJWTZAHIT-CQSZACIVSA-N 0 0 301.411 3.390 10 30 DGEERN CC(=O)c1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)ccc1F ZINC000352120740 527212858 /nfs/dbraw/zinc/21/28/58/527212858.db2.gz NBOOQYGPRVNDTL-SNVBAGLBSA-N 0 0 303.337 3.184 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000413833224 527216627 /nfs/dbraw/zinc/21/66/27/527216627.db2.gz KFQIVOQUCZHXMI-UIBIWLFHSA-N 0 0 316.445 3.381 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000302092776 527223853 /nfs/dbraw/zinc/22/38/53/527223853.db2.gz HSWJTYRDPQTMBC-IBGZPJMESA-N 0 0 322.364 3.044 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](c2cccs2)C1 ZINC000302104149 527229631 /nfs/dbraw/zinc/22/96/31/527229631.db2.gz MQGGERJDKKPQTG-MRXNPFEDSA-N 0 0 312.394 3.400 10 30 DGEERN C=CCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000344495753 527230707 /nfs/dbraw/zinc/23/07/07/527230707.db2.gz JDIYAFUNVMMNNZ-UHFFFAOYSA-N 0 0 306.365 3.377 10 30 DGEERN C=CCc1cc(CN(C[C@@H](C)C#N)C2CC2)cc(OC)c1O ZINC000354032520 527236213 /nfs/dbraw/zinc/23/62/13/527236213.db2.gz BELFGESHWPTDPG-ZDUSSCGKSA-N 0 0 300.402 3.253 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000432285318 527240818 /nfs/dbraw/zinc/24/08/18/527240818.db2.gz KTMMDVKSWCTJCR-AWEZNQCLSA-N 0 0 313.850 3.425 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@@H]2CC23CCCC3)c(OC)c1 ZINC000430249866 527252217 /nfs/dbraw/zinc/25/22/17/527252217.db2.gz QWTVJUKLODGVTQ-QGZVFWFLSA-N 0 0 315.413 3.251 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000352325421 527252728 /nfs/dbraw/zinc/25/27/28/527252728.db2.gz RSKTXHZZFXSNLB-CYBMUJFWSA-N 0 0 322.836 3.159 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)N(C)C ZINC000191440647 527258904 /nfs/dbraw/zinc/25/89/04/527258904.db2.gz DLKGCGATVTUVMF-UHFFFAOYSA-N 0 0 317.433 3.138 10 30 DGEERN CC(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c(F)c1 ZINC000347229740 527262511 /nfs/dbraw/zinc/26/25/11/527262511.db2.gz HYSZLJAIPBLUIP-MRXNPFEDSA-N 0 0 314.291 3.162 10 30 DGEERN C=CCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccco1 ZINC000351114676 527276036 /nfs/dbraw/zinc/27/60/36/527276036.db2.gz LATPWKJISVQGFU-AWEZNQCLSA-N 0 0 323.400 3.404 10 30 DGEERN CC(=O)c1ccc(NC(=O)N2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000330812927 527291356 /nfs/dbraw/zinc/29/13/56/527291356.db2.gz NRBHILMIWWTKMY-OAHLLOKOSA-N 0 0 324.808 3.445 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000343238163 527295335 /nfs/dbraw/zinc/29/53/35/527295335.db2.gz MQRHOZNZKRFWSK-CABCVRRESA-N 0 0 301.434 3.402 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000289783990 527300728 /nfs/dbraw/zinc/30/07/28/527300728.db2.gz SYJYMNUYXKFPSJ-LBPRGKRZSA-N 0 0 314.355 3.331 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(CCc1nccs1)C(C)C ZINC000350729541 527305803 /nfs/dbraw/zinc/30/58/03/527305803.db2.gz LEVCLFCBXXEFQJ-UHFFFAOYSA-N 0 0 317.462 3.256 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000337817980 527308550 /nfs/dbraw/zinc/30/85/50/527308550.db2.gz PPPLXQJVCLTWLJ-GOSISDBHSA-N 0 0 316.449 3.129 10 30 DGEERN C=CCCN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000342371650 527310616 /nfs/dbraw/zinc/31/06/16/527310616.db2.gz FYEAXXKXYOJZRI-AWEZNQCLSA-N 0 0 312.417 3.459 10 30 DGEERN C=CCCN(C)C(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000286984369 527316294 /nfs/dbraw/zinc/31/62/94/527316294.db2.gz TWWYURHRVXCOPJ-DGCLKSJQSA-N 0 0 304.365 3.068 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC2(CCC2)C1 ZINC000337847146 527320241 /nfs/dbraw/zinc/32/02/41/527320241.db2.gz HRFFLUSAVPYXHQ-UHFFFAOYSA-N 0 0 312.417 3.223 10 30 DGEERN C=CCn1c(N(C)C2CC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000414527837 527328660 /nfs/dbraw/zinc/32/86/60/527328660.db2.gz NHDUZOHZAMUWIO-QGZVFWFLSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N2CCC3(CCOCC3)[C@H]2C)nnc1C(C)(C)C ZINC000350731233 527330235 /nfs/dbraw/zinc/33/02/35/527330235.db2.gz YVZWDCCMKKGIPV-CQSZACIVSA-N 0 0 318.465 3.157 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000342621849 527335745 /nfs/dbraw/zinc/33/57/45/527335745.db2.gz NMGQJXDGKHEWFT-MRXNPFEDSA-N 0 0 304.365 3.270 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000342976889 527336685 /nfs/dbraw/zinc/33/66/85/527336685.db2.gz FWCJJOBOPNPTJF-WBVHZDCISA-N 0 0 317.429 3.430 10 30 DGEERN C=CCCOCCCCC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000344966306 527338494 /nfs/dbraw/zinc/33/84/94/527338494.db2.gz BPAOJPWJJVPHSF-UHFFFAOYSA-N 0 0 320.437 3.485 10 30 DGEERN C=CCn1c(S[C@@H](CC(C)C)C(=O)OC)nnc1C1CC1 ZINC000285197448 527346298 /nfs/dbraw/zinc/34/62/98/527346298.db2.gz VVTRUZHWMBMLRL-LBPRGKRZSA-N 0 0 309.435 3.021 10 30 DGEERN C=CCn1c(S[C@H](C)c2cccc(Cl)c2F)n[nH]c1=O ZINC000186630981 527346593 /nfs/dbraw/zinc/34/65/93/527346593.db2.gz AFXRMBYIDOQJGU-MRVPVSSYSA-N 0 0 313.785 3.403 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000409784902 527351805 /nfs/dbraw/zinc/35/18/05/527351805.db2.gz DLCFPTKWIQAGCL-GOSISDBHSA-N 0 0 320.408 3.168 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000351120048 527356727 /nfs/dbraw/zinc/35/67/27/527356727.db2.gz VZBPYFPPCWDDSG-HUUCEWRRSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C)C1 ZINC000337824909 527360947 /nfs/dbraw/zinc/36/09/47/527360947.db2.gz VCSJHGKOXBHILR-RHSMWYFYSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000347838303 527372270 /nfs/dbraw/zinc/37/22/70/527372270.db2.gz ZUWMBFDIAOJHKU-WMLDXEAASA-N 0 0 305.393 3.340 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000356145524 527421522 /nfs/dbraw/zinc/42/15/22/527421522.db2.gz FMEABAJVVRSLQA-UHFFFAOYSA-N 0 0 313.382 3.399 10 30 DGEERN C=C[C@@H](CC(=O)NCC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC000346938398 527422012 /nfs/dbraw/zinc/42/20/12/527422012.db2.gz QBCMNLFKQTUZPK-GXTWGEPZSA-N 0 0 315.335 3.430 10 30 DGEERN CC(=O)c1cnc(NC(=O)C[C@H](CC#N)c2ccccc2)s1 ZINC000356148746 527422145 /nfs/dbraw/zinc/42/21/45/527422145.db2.gz IPUVPFRBQSXRGV-ZDUSSCGKSA-N 0 0 313.382 3.372 10 30 DGEERN C#Cc1ccc(CNC(=O)c2c(Cl)n(C)nc2C(C)C)cc1 ZINC000295545684 527437324 /nfs/dbraw/zinc/43/73/24/527437324.db2.gz SMKBUBHMSRBSMJ-UHFFFAOYSA-N 0 0 315.804 3.108 10 30 DGEERN C=CCC[C@@H](NC(=O)NCC[C@H]1CCOC1)c1ccccc1 ZINC000343885359 527441637 /nfs/dbraw/zinc/44/16/37/527441637.db2.gz FDYWKNPBFUNWTJ-DOTOQJQBSA-N 0 0 302.418 3.420 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000427683847 527445617 /nfs/dbraw/zinc/44/56/17/527445617.db2.gz ZFHZJSLIFNOUBO-CQSZACIVSA-N 0 0 322.355 3.304 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCOc1ccc(C)cc1C ZINC000424935088 527492665 /nfs/dbraw/zinc/49/26/65/527492665.db2.gz WOJJLIYMCDIIBP-IRXDYDNUSA-N 0 0 317.429 3.170 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cccs1)C1CC1 ZINC000425853792 527494512 /nfs/dbraw/zinc/49/45/12/527494512.db2.gz JJOVXIHKRKZGGT-WFASDCNBSA-N 0 0 306.431 3.013 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000425285318 527499433 /nfs/dbraw/zinc/49/94/33/527499433.db2.gz SOGPLFBODXJJJI-CABZTGNLSA-N 0 0 314.288 3.199 10 30 DGEERN C=CCN(C(=O)Nc1cccc(N(C)C(=O)NCC)c1)C1CC1 ZINC000433480344 527542194 /nfs/dbraw/zinc/54/21/94/527542194.db2.gz LLBQVLSENKVBLG-UHFFFAOYSA-N 0 0 316.405 3.035 10 30 DGEERN C=C[C@H](CC(=O)NCC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC000346938408 527576757 /nfs/dbraw/zinc/57/67/57/527576757.db2.gz QBCMNLFKQTUZPK-TZMCWYRMSA-N 0 0 315.335 3.430 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCSc1ccccn1 ZINC000127851658 527585755 /nfs/dbraw/zinc/58/57/55/527585755.db2.gz BGWMBLUWRYYYRO-UHFFFAOYSA-N 0 0 304.337 3.141 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F ZINC000342017110 527587837 /nfs/dbraw/zinc/58/78/37/527587837.db2.gz XSZXICQCBYAWNC-UHFFFAOYSA-N 0 0 315.188 3.434 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(Cl)c(O)c(OC)c1 ZINC000358595555 527587975 /nfs/dbraw/zinc/58/79/75/527587975.db2.gz CWIQXBDFOITLKU-UHFFFAOYSA-N 0 0 323.698 3.245 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-n2cccc2)ccn1 ZINC000341443453 527588304 /nfs/dbraw/zinc/58/83/04/527588304.db2.gz WSNKZMMHAKSRTI-UHFFFAOYSA-N 0 0 309.291 3.063 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnn1C1CCCC1 ZINC000360374936 527588406 /nfs/dbraw/zinc/58/84/06/527588406.db2.gz CVDRUKSKVBUVIZ-UHFFFAOYSA-N 0 0 301.312 3.189 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000299324489 527588545 /nfs/dbraw/zinc/58/85/45/527588545.db2.gz YLVVDTZUDFJENU-UHFFFAOYSA-N 0 0 312.213 3.291 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccn(C(CC)CC)n1 ZINC000432432946 527588649 /nfs/dbraw/zinc/58/86/49/527588649.db2.gz UMBWOWFLWHXRBM-UHFFFAOYSA-N 0 0 303.328 3.435 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1nc2ccccc2s1 ZINC000347131721 527589707 /nfs/dbraw/zinc/58/97/07/527589707.db2.gz AUTGRDFKFIWSJN-UHFFFAOYSA-N 0 0 300.305 3.487 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000352081853 527612183 /nfs/dbraw/zinc/61/21/83/527612183.db2.gz HNWVWCJVDQIKOF-TVQRCGJNSA-N 0 0 312.211 3.019 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434895968 527623790 /nfs/dbraw/zinc/62/37/90/527623790.db2.gz OENLORRGLHVBTI-UHFFFAOYSA-N 0 0 320.389 3.227 10 30 DGEERN CC(C)(C)C1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000179063386 527634374 /nfs/dbraw/zinc/63/43/74/527634374.db2.gz RKODOYUAVSYQEY-UHFFFAOYSA-N 0 0 314.429 3.416 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1OCCC2 ZINC000378140197 527637416 /nfs/dbraw/zinc/63/74/16/527637416.db2.gz SLBXAPHMXOCDIT-AWEZNQCLSA-N 0 0 300.402 3.013 10 30 DGEERN C=CCN(CCC#N)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000359382787 527657685 /nfs/dbraw/zinc/65/76/85/527657685.db2.gz QFWYZAYPIVWLGS-UHFFFAOYSA-N 0 0 314.776 3.068 10 30 DGEERN CC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301175801 527696395 /nfs/dbraw/zinc/69/63/95/527696395.db2.gz GEVSNDZGHUIWRY-UHFFFAOYSA-N 0 0 319.836 3.296 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCCCCC#N)C12CCCC2 ZINC000172621741 527794333 /nfs/dbraw/zinc/79/43/33/527794333.db2.gz FOXYSPWXEBRMLG-HUUCEWRRSA-N 0 0 307.438 3.059 10 30 DGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000330286527 527816573 /nfs/dbraw/zinc/81/65/73/527816573.db2.gz ZYHREOUJNKARTB-KBMXLJTQSA-N 0 0 321.465 3.002 10 30 DGEERN CCN(CC)C(=O)[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000177168030 528055253 /nfs/dbraw/zinc/05/52/53/528055253.db2.gz HRMQLTLWJJXHFU-KRWDZBQOSA-N 0 0 318.848 3.024 10 30 DGEERN CCCCCCCC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183105491 528120793 /nfs/dbraw/zinc/12/07/93/528120793.db2.gz DDDWOQULTCCPBD-INIZCTEOSA-N 0 0 317.433 3.054 10 30 DGEERN CCOc1c(F)cccc1C(=O)Nc1ccc(F)cc1C#N ZINC000177574009 528184141 /nfs/dbraw/zinc/18/41/41/528184141.db2.gz VEXSRWCMLYAYHO-UHFFFAOYSA-N 0 0 302.280 3.487 10 30 DGEERN CCOC(=O)c1cccc(CNc2ccc(Cl)c(C#N)n2)c1 ZINC000302350436 528246065 /nfs/dbraw/zinc/24/60/65/528246065.db2.gz BKYFXSIXXQXWDU-UHFFFAOYSA-N 0 0 315.760 3.395 10 30 DGEERN CC(C)C[C@@H](Nc1ccc(C#N)nn1)c1nc2ccccc2[nH]1 ZINC000301861118 528361464 /nfs/dbraw/zinc/36/14/64/528361464.db2.gz AETYBNKGTAMZCK-OAHLLOKOSA-N 0 0 306.373 3.424 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000179468256 528377765 /nfs/dbraw/zinc/37/77/65/528377765.db2.gz HCRRAYWPZPAGSR-VXGBXAGGSA-N 0 0 302.374 3.099 10 30 DGEERN CC(C)c1nn(C)c2sc(C(=O)NC3(C#N)CCCC3)cc12 ZINC000173078284 528392156 /nfs/dbraw/zinc/39/21/56/528392156.db2.gz CQLSZQRGYZQJAD-UHFFFAOYSA-N 0 0 316.430 3.324 10 30 DGEERN CCCc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(C)n1 ZINC000182373562 528609716 /nfs/dbraw/zinc/60/97/16/528609716.db2.gz OIQIJBBVBUVZEH-UHFFFAOYSA-N 0 0 308.385 3.180 10 30 DGEERN CC(C)[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000180489712 528735465 /nfs/dbraw/zinc/73/54/65/528735465.db2.gz WJQWNOZWENPLTG-INIZCTEOSA-N 0 0 314.454 3.455 10 30 DGEERN CCN(Cc1ccc(Br)cc1OC)C[C@@H](C)C#N ZINC000182111908 528769896 /nfs/dbraw/zinc/76/98/96/528769896.db2.gz VQPSDVUACQCHHW-NSHDSACASA-N 0 0 311.223 3.439 10 30 DGEERN CCN(Cc1ccc(Br)cc1OC)C[C@H](C)C#N ZINC000182111944 528770634 /nfs/dbraw/zinc/77/06/34/528770634.db2.gz VQPSDVUACQCHHW-LLVKDONJSA-N 0 0 311.223 3.439 10 30 DGEERN CCN(C(=O)[C@@H]1CCOC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000193975227 529045443 /nfs/dbraw/zinc/04/54/43/529045443.db2.gz NIEXELPPXYCBBB-JJRVBVJISA-N 0 0 300.402 3.140 10 30 DGEERN CCS[C@@H]1CC[C@]1(O)CNc1cc(C#N)nc2ccccc21 ZINC000301478572 529221652 /nfs/dbraw/zinc/22/16/52/529221652.db2.gz CJZFVZLEVHFYQT-SJORKVTESA-N 0 0 313.426 3.165 10 30 DGEERN CCS[C@H]1CCC[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000357134258 529230808 /nfs/dbraw/zinc/23/08/08/529230808.db2.gz WIMCHBDEQCWTJN-KBPBESRZSA-N 0 0 309.479 3.386 10 30 DGEERN CC[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000180491104 529282317 /nfs/dbraw/zinc/28/23/17/529282317.db2.gz MUFQTKCMDIMNRT-HNNXBMFYSA-N 0 0 300.427 3.209 10 30 DGEERN CC1(C#N)CCN(C(=O)COCc2cccc(Cl)c2)CC1 ZINC000457698978 535274651 /nfs/dbraw/zinc/27/46/51/535274651.db2.gz NMWWXWPXSNHWQS-UHFFFAOYSA-N 0 0 306.793 3.009 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000185223775 546186421 /nfs/dbraw/zinc/18/64/21/546186421.db2.gz CDFLMPYRUNMDEH-RHSMWYFYSA-N 0 0 304.434 3.182 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(C)=O)c2ccccc21 ZINC000185680782 546189911 /nfs/dbraw/zinc/18/99/11/546189911.db2.gz HAELYBIRJPSYIF-CQSZACIVSA-N 0 0 300.402 3.379 10 30 DGEERN CCO/C=C/C(=O)c1ccc(I)cc1 ZINC000233640464 546277220 /nfs/dbraw/zinc/27/72/20/546277220.db2.gz FDFPXFXRTUFATJ-BQYQJAHWSA-N 0 0 302.111 3.024 10 30 DGEERN O=C(NCC1CC(c2ccccc2)C1)N[C@@H]1CCCC[C@H]1CO ZINC000328726935 546480934 /nfs/dbraw/zinc/48/09/34/546480934.db2.gz ZYJZLJKKDNXIEY-ZLGJRNTRSA-N 0 0 316.445 3.235 10 30 DGEERN O=C(Nc1scnc1C1CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328933663 546482780 /nfs/dbraw/zinc/48/27/80/546482780.db2.gz PUUIORXDGQZUKQ-WBMJQRKESA-N 0 0 321.446 3.193 10 30 DGEERN Cc1noc(C)c1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329217848 546483295 /nfs/dbraw/zinc/48/32/95/546483295.db2.gz QYDFMSUNWODFGJ-IUODEOHRSA-N 0 0 307.394 3.324 10 30 DGEERN O=C(COC[C@@H]1CCOC1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000329668174 546489688 /nfs/dbraw/zinc/48/96/88/546489688.db2.gz RVUJGJVHUJDIJC-DOMZBBRYSA-N 0 0 323.364 3.049 10 30 DGEERN O=C(NCCOC1CCCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330071226 546494713 /nfs/dbraw/zinc/49/47/13/546494713.db2.gz XXJITYCNEYRRRF-JKSUJKDBSA-N 0 0 304.390 3.075 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000330044400 546494768 /nfs/dbraw/zinc/49/47/68/546494768.db2.gz HRUHOYGOCWNOGT-YJNKXOJESA-N 0 0 312.369 3.210 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000410069759 546769951 /nfs/dbraw/zinc/76/99/51/546769951.db2.gz HWAZBOGNHZXNIM-KRWDZBQOSA-N 0 0 303.446 3.360 10 30 DGEERN C=CCOc1ccccc1C[NH2+]CCc1cccc(C(=O)[O-])c1 ZINC000426693856 546810983 /nfs/dbraw/zinc/81/09/83/546810983.db2.gz GLQZVRYILRBAHU-UHFFFAOYSA-N 0 0 311.381 3.282 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@H](C)OCCC(C)C)c1 ZINC000730406293 574529026 /nfs/dbraw/zinc/52/90/26/574529026.db2.gz QVTVTIDOODZJSV-HNNXBMFYSA-N 0 0 304.386 3.193 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(COC)o2)cc1 ZINC000730424731 574529298 /nfs/dbraw/zinc/52/92/98/574529298.db2.gz BQTHWGFRRZZRKO-CYBMUJFWSA-N 0 0 314.337 3.356 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](C)OCC(C)C ZINC000730424160 574529316 /nfs/dbraw/zinc/52/93/16/574529316.db2.gz RFFPHDZZICECSR-HUUCEWRRSA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@@H](C)OCCC=C)c1 ZINC000730699339 574534021 /nfs/dbraw/zinc/53/40/21/574534021.db2.gz FSTBOGFYACVWNK-LSDHHAIUSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@H](C)OCCC=C)c1 ZINC000730699336 574534055 /nfs/dbraw/zinc/53/40/55/574534055.db2.gz FSTBOGFYACVWNK-CABCVRRESA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@H](C)OCCC=C)c1 ZINC000730699337 574534167 /nfs/dbraw/zinc/53/41/67/574534167.db2.gz FSTBOGFYACVWNK-GJZGRUSLSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)CCOCC(C)C)c1 ZINC000730702189 574534261 /nfs/dbraw/zinc/53/42/61/574534261.db2.gz YKYXBEJOEFJQIG-OAHLLOKOSA-N 0 0 304.386 3.366 10 30 DGEERN C#CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000730979716 574541046 /nfs/dbraw/zinc/54/10/46/574541046.db2.gz BRCQVJCUQDUVRL-UHFFFAOYSA-N 0 0 310.309 3.168 10 30 DGEERN CCCCCCOCC(=O)OCc1cn2ccccc2c1C#N ZINC000730859191 574537569 /nfs/dbraw/zinc/53/75/69/574537569.db2.gz VZCVLEFFTOPURJ-UHFFFAOYSA-N 0 0 314.385 3.451 10 30 DGEERN Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(-n3cncn3)cc1)C2 ZINC000730948292 574539529 /nfs/dbraw/zinc/53/95/29/574539529.db2.gz BSTMYMZBNYHYGD-CXUHLZMHSA-N 0 0 301.349 3.398 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000731110997 574543637 /nfs/dbraw/zinc/54/36/37/574543637.db2.gz MLBWMHNEXKEYJI-MSOLQXFVSA-N 0 0 306.365 3.376 10 30 DGEERN CC(=O)CCCOC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000732398224 574573312 /nfs/dbraw/zinc/57/33/12/574573312.db2.gz BBEXIYOEXHCHCA-UHFFFAOYSA-N 0 0 324.336 3.272 10 30 DGEERN C[C@@H]1C[C@H](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC(C)(C)C1 ZINC000732651147 574577820 /nfs/dbraw/zinc/57/78/20/574577820.db2.gz XPBJQUQQNICLLX-BFYDXBDKSA-N 0 0 317.477 3.038 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)/C=C\C2CCOCC2)c1 ZINC000732710137 574579695 /nfs/dbraw/zinc/57/96/95/574579695.db2.gz MHERZKRDHRZFJL-ZPIQOJFGSA-N 0 0 314.381 3.286 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCC2(O)CCCCC2)cc1 ZINC000732916223 574587383 /nfs/dbraw/zinc/58/73/83/574587383.db2.gz IKGGZCTXWMPWMX-UHFFFAOYSA-N 0 0 303.406 3.101 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)C2CCSCC2)cc1 ZINC000733053057 574593412 /nfs/dbraw/zinc/59/34/12/574593412.db2.gz CCJUXUBJIVDQDD-ZDUSSCGKSA-N 0 0 304.411 3.446 10 30 DGEERN N#Cc1ccsc1C(=O)OCc1noc(-c2ccccc2)n1 ZINC000733109879 574598293 /nfs/dbraw/zinc/59/82/93/574598293.db2.gz OXTQOPQSJFLYMM-UHFFFAOYSA-N 0 0 311.322 3.027 10 30 DGEERN C#CCCNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000733246785 574609735 /nfs/dbraw/zinc/60/97/35/574609735.db2.gz DZTMUXDOVPSVBT-UHFFFAOYSA-N 0 0 323.421 3.208 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c21 ZINC000733247354 574610170 /nfs/dbraw/zinc/61/01/70/574610170.db2.gz XQRUDPYCYVFRPQ-UHFFFAOYSA-N 0 0 323.352 3.359 10 30 DGEERN C#CCCNC(=O)NCc1ccc(Oc2ccccc2OC)cc1 ZINC000733349320 574617427 /nfs/dbraw/zinc/61/74/27/574617427.db2.gz XOTHODDFRXWFGE-UHFFFAOYSA-N 0 0 324.380 3.310 10 30 DGEERN C#CCCNC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000733356810 574617650 /nfs/dbraw/zinc/61/76/50/574617650.db2.gz PAMLQTMLHXQGRN-LLVKDONJSA-N 0 0 309.207 3.175 10 30 DGEERN C#CCCNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000733618985 574631929 /nfs/dbraw/zinc/63/19/29/574631929.db2.gz GGMDXJJAFKKCEV-UHFFFAOYSA-N 0 0 322.368 3.475 10 30 DGEERN C=C(COc1ccc2c(CCC)cc(=O)oc2c1)C(=O)OCC ZINC000733870271 574641090 /nfs/dbraw/zinc/64/10/90/574641090.db2.gz FWVVNMWEPAHVPP-UHFFFAOYSA-N 0 0 316.353 3.244 10 30 DGEERN C=C(COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000734029349 574647562 /nfs/dbraw/zinc/64/75/62/574647562.db2.gz LUKQAKPZAJRNOT-GHMZBOCLSA-N 0 0 308.296 3.018 10 30 DGEERN C=C(COC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)OCC ZINC000734030902 574647931 /nfs/dbraw/zinc/64/79/31/574647931.db2.gz JPUKZZKFDRIEHL-MRXNPFEDSA-N 0 0 304.386 3.479 10 30 DGEERN C=C(COC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)OCC ZINC000734022899 574648270 /nfs/dbraw/zinc/64/82/70/574648270.db2.gz MPCHFQVDUAYAFM-SNVBAGLBSA-N 0 0 308.399 3.149 10 30 DGEERN C#CCOc1ccccc1CNC(=O)c1cccc2ncccc21 ZINC000734105012 574650239 /nfs/dbraw/zinc/65/02/39/574650239.db2.gz YDMGLYHNOFGNOK-UHFFFAOYSA-N 0 0 316.360 3.177 10 30 DGEERN C#CCOc1ccccc1CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000734105678 574650252 /nfs/dbraw/zinc/65/02/52/574650252.db2.gz VZBNBDMTKLZEIG-UHFFFAOYSA-N 0 0 323.367 3.186 10 30 DGEERN C(=NN=c1[nH]c2ccccc2[nH]1)c1nccn1Cc1ccccc1 ZINC000734091596 574650498 /nfs/dbraw/zinc/65/04/98/574650498.db2.gz GKEVBWBPFMRGJU-UHFFFAOYSA-N 0 0 316.368 3.254 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000734166862 574653714 /nfs/dbraw/zinc/65/37/14/574653714.db2.gz GUNYGQXFTUVVEI-MSOLQXFVSA-N 0 0 320.392 3.054 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N1CCC[C@H](C)CC1 ZINC000734215694 574653904 /nfs/dbraw/zinc/65/39/04/574653904.db2.gz BDQCFLHREVEMLZ-HNNXBMFYSA-N 0 0 300.402 3.030 10 30 DGEERN C=CC[C@H](NC(=O)NCc1csc(CC)n1)c1ccncc1 ZINC000734670132 574672842 /nfs/dbraw/zinc/67/28/42/574672842.db2.gz ZYWDAPSZGIINGF-AWEZNQCLSA-N 0 0 316.430 3.217 10 30 DGEERN CC(C)n1nnnc1SCc1cc(Cl)ccc1OCC#N ZINC000735230608 574691895 /nfs/dbraw/zinc/69/18/95/574691895.db2.gz NKHTVUOBHFGJKT-UHFFFAOYSA-N 0 0 323.809 3.102 10 30 DGEERN COC(=O)C[C@H](C)SCc1cc(Cl)ccc1OCC#N ZINC000735233832 574691940 /nfs/dbraw/zinc/69/19/40/574691940.db2.gz GDCOAYLJEYPCGD-JTQLQIEISA-N 0 0 313.806 3.427 10 30 DGEERN CCC[C@@](C)(NCc1cc(Cl)ccc1OCC#N)C(=O)OC ZINC000735309187 574696371 /nfs/dbraw/zinc/69/63/71/574696371.db2.gz IQFJUKDNIRQYBC-MRXNPFEDSA-N 0 0 324.808 3.064 10 30 DGEERN CCOc1ccc(F)c(C(=O)OCc2cccc(C#N)c2)c1N ZINC000741039970 574949861 /nfs/dbraw/zinc/94/98/61/574949861.db2.gz YDNGULGQHDIGMS-UHFFFAOYSA-N 0 0 314.316 3.035 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000741547905 574962573 /nfs/dbraw/zinc/96/25/73/574962573.db2.gz WQGJRBAEXUAQBF-UHFFFAOYSA-N 0 0 323.318 3.278 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)C[C@H](C)n1cccc1 ZINC000741639529 574965246 /nfs/dbraw/zinc/96/52/46/574965246.db2.gz CEOQXBALGOYPAG-ZDUSSCGKSA-N 0 0 300.333 3.229 10 30 DGEERN C#CCN(CC#CC)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000742130140 574981676 /nfs/dbraw/zinc/98/16/76/574981676.db2.gz NZJBMFAEWIPUJN-UHFFFAOYSA-N 0 0 321.420 3.013 10 30 DGEERN CC(C)CC(CC(C)C)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000742402256 574996678 /nfs/dbraw/zinc/99/66/78/574996678.db2.gz IDYCAMGJGOOPLQ-UHFFFAOYSA-N 0 0 323.462 3.078 10 30 DGEERN C=CCNC(=S)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000743006667 575028874 /nfs/dbraw/zinc/02/88/74/575028874.db2.gz GWBSAQRKBUPGPN-SECBINFHSA-N 0 0 303.214 3.077 10 30 DGEERN C=CCOCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000729328779 575235588 /nfs/dbraw/zinc/23/55/88/575235588.db2.gz RNBLJYPAOKQRAB-UHFFFAOYSA-N 0 0 311.385 3.028 10 30 DGEERN FC(F)(F)c1ccc(CNN=Cc2cnn3ccccc23)cc1 ZINC000729637369 575257786 /nfs/dbraw/zinc/25/77/86/575257786.db2.gz LHQIZGMDDMPWHX-UHFFFAOYSA-N 0 0 318.302 3.477 10 30 DGEERN C=CCOc1ccccc1C=Nn1cnnc1-c1ccccc1 ZINC000725856422 575933932 /nfs/dbraw/zinc/93/39/32/575933932.db2.gz RCPAIXMBZQDCPJ-UHFFFAOYSA-N 0 0 304.353 3.392 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccncc1 ZINC000726384417 576020079 /nfs/dbraw/zinc/02/00/79/576020079.db2.gz DRXWHHLIYCTPTH-KRWDZBQOSA-N 0 0 310.353 3.100 10 30 DGEERN CC(C)S(=O)(=O)NN=C(Cc1ccccc1)C1CCCCC1 ZINC000727061637 576099436 /nfs/dbraw/zinc/09/94/36/576099436.db2.gz LYWXENWZZAOWSJ-UHFFFAOYSA-N 0 0 322.474 3.493 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1nc2ccccc2n1C ZINC000727060521 576099470 /nfs/dbraw/zinc/09/94/70/576099470.db2.gz PYYNGMJACVMLIY-UHFFFAOYSA-N 0 0 314.339 3.365 10 30 DGEERN C#CCOc1ccccc1C=NNCc1ccc(F)cc1F ZINC000727060417 576099675 /nfs/dbraw/zinc/09/96/75/576099675.db2.gz OOXAQJIWFGMFGU-UHFFFAOYSA-N 0 0 300.308 3.101 10 30 DGEERN CCOc1c(C=NNc2ccc(C)cn2)c(C)nn1CC(C)C ZINC000727259850 576116318 /nfs/dbraw/zinc/11/63/18/576116318.db2.gz LXNFYMHKWHALIF-UHFFFAOYSA-N 0 0 315.421 3.396 10 30 DGEERN CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(O)c(F)c1 ZINC000728427620 576181205 /nfs/dbraw/zinc/18/12/05/576181205.db2.gz SWHSIUMWWSPWQD-UHFFFAOYSA-N 0 0 321.352 3.381 10 30 DGEERN C#Cc1ccc(C(=O)NCCc2cccc3ccccc32)cn1 ZINC000728812783 576208134 /nfs/dbraw/zinc/20/81/34/576208134.db2.gz BDCDFLWZXBFRNR-UHFFFAOYSA-N 0 0 300.361 3.189 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)cn1 ZINC000728811152 576208291 /nfs/dbraw/zinc/20/82/91/576208291.db2.gz QEVHOLNYBYPXLC-NSHDSACASA-N 0 0 300.308 3.174 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)CCc2ccccc2OC)cc1 ZINC000154518485 620683613 /nfs/dbraw/zinc/68/36/13/620683613.db2.gz KBTNMSVORVCLNV-UHFFFAOYSA-N 0 0 323.392 3.022 10 30 DGEERN C#CCN(C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000154566408 620687172 /nfs/dbraw/zinc/68/71/72/620687172.db2.gz XCIRIHUANGAXJH-UHFFFAOYSA-N 0 0 323.487 3.213 10 30 DGEERN COc1ccc(CC/N=C/c2ccc(O)c(O)c2O)c(Cl)c1 ZINC000155035435 620758420 /nfs/dbraw/zinc/75/84/20/620758420.db2.gz MVNUEIJZTBELAQ-GIJQJNRQSA-N 0 0 321.760 3.127 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)/C=C/C1CCOCC1 ZINC000112223392 620801670 /nfs/dbraw/zinc/80/16/70/620801670.db2.gz DDSKHFXOLNMOFO-XVJNWHFHSA-N 0 0 314.381 3.286 10 30 DGEERN N#Cc1ccc(OC(=O)/C=C/c2cnc3ccccc3n2)cc1 ZINC000014468893 618496973 /nfs/dbraw/zinc/49/69/73/618496973.db2.gz QSWAIGSCBUVFOW-JXMROGBWSA-N 0 0 301.305 3.120 10 30 DGEERN C#C[C@H](OC(=O)CCc1ccccc1Br)C1CC1 ZINC000152519953 620511628 /nfs/dbraw/zinc/51/16/28/620511628.db2.gz LPTWFALFJGRBLO-AWEZNQCLSA-N 0 0 307.187 3.337 10 30 DGEERN C#C[C@H](OC(=O)CCC(=O)c1ccc(OCC)cc1)C1CC1 ZINC000152625953 620515587 /nfs/dbraw/zinc/51/55/87/620515587.db2.gz HENHEIYWAIMYLG-KRWDZBQOSA-N 0 0 300.354 3.003 10 30 DGEERN C#CC[C@H](OC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000153298805 620547432 /nfs/dbraw/zinc/54/74/32/620547432.db2.gz UGUYYRNIEOEBFW-CABCVRRESA-N 0 0 321.417 3.121 10 30 DGEERN C#CC[C@H](OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000153298921 620547822 /nfs/dbraw/zinc/54/78/22/620547822.db2.gz UGUYYRNIEOEBFW-GJZGRUSLSA-N 0 0 321.417 3.121 10 30 DGEERN COC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000032618412 620601890 /nfs/dbraw/zinc/60/18/90/620601890.db2.gz RTUGMMUICMDBKB-UHFFFAOYSA-N 0 0 323.352 3.009 10 30 DGEERN CCOc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)ccc1C ZINC000113652670 620934488 /nfs/dbraw/zinc/93/44/88/620934488.db2.gz XILKLSBBCLBOAT-INIZCTEOSA-N 0 0 322.364 3.355 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)c2cccc(NC(C)=O)c2)c1 ZINC000103028502 621223224 /nfs/dbraw/zinc/22/32/24/621223224.db2.gz QTCWXVGNBFKNPT-UHFFFAOYSA-N 0 0 306.365 3.293 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)c1 ZINC000103030774 621223957 /nfs/dbraw/zinc/22/39/57/621223957.db2.gz SQNUWDWGISBNAX-UHFFFAOYSA-N 0 0 315.376 3.439 10 30 DGEERN Cc1ccc(CC(=O)Nc2ccc(F)cc2OCC#N)s1 ZINC000119996856 621758159 /nfs/dbraw/zinc/75/81/59/621758159.db2.gz NLCWWEIHFDWJKR-UHFFFAOYSA-N 0 0 304.346 3.279 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000122365432 622307169 /nfs/dbraw/zinc/30/71/69/622307169.db2.gz MNRSUDPXIUTVPC-DGCLKSJQSA-N 0 0 324.174 3.016 10 30 DGEERN N#Cc1cc(NC[C@@H]2CSCCS2)nc2ccccc12 ZINC000122376450 622309496 /nfs/dbraw/zinc/30/94/96/622309496.db2.gz BFMWRQHRFPSWDX-GFCCVEGCSA-N 0 0 301.440 3.367 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cc(F)cc(F)c1 ZINC000122604557 622364428 /nfs/dbraw/zinc/36/44/28/622364428.db2.gz HGECJNYMZDSPMT-SNVBAGLBSA-N 0 0 303.264 3.209 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000122821080 622412740 /nfs/dbraw/zinc/41/27/40/622412740.db2.gz TXKSUZKOPQYDGU-CJNGLKHVSA-N 0 0 314.385 3.119 10 30 DGEERN CCCCCCCCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000129369297 625603772 /nfs/dbraw/zinc/60/37/72/625603772.db2.gz LQWYQPGFWUWWQX-OAHLLOKOSA-N 0 0 321.469 3.033 10 30 DGEERN COc1cccc(COC(=O)c2ccc(C#N)cc2C)c1OC ZINC000129535204 625674096 /nfs/dbraw/zinc/67/40/96/625674096.db2.gz RYSDOYRTCALDSF-UHFFFAOYSA-N 0 0 311.337 3.241 10 30 DGEERN COc1ccc(C(=O)/C=C/c2cncs2)cc1NC(C)=O ZINC000130056371 625811594 /nfs/dbraw/zinc/81/15/94/625811594.db2.gz KJUAMYWLQHTBFH-SNAWJCMRSA-N 0 0 302.355 3.006 10 30 DGEERN C=CCC(CC=C)C(=O)OC[C@@H]1CCCN1c1ccc(C)nn1 ZINC000130306979 625835846 /nfs/dbraw/zinc/83/58/46/625835846.db2.gz OUCAHBBFIQCEDD-INIZCTEOSA-N 0 0 315.417 3.065 10 30 DGEERN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C#N)C1CC1 ZINC000130518235 625864586 /nfs/dbraw/zinc/86/45/86/625864586.db2.gz RUQJATXYXBPCAC-CABZTGNLSA-N 0 0 317.439 3.195 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1cc(F)cc(Br)c1 ZINC000131516361 626646473 /nfs/dbraw/zinc/64/64/73/626646473.db2.gz XRBIUWJZYDGEJR-SECBINFHSA-N 0 0 317.154 3.475 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)nc1 ZINC000131721179 626674367 /nfs/dbraw/zinc/67/43/67/626674367.db2.gz MYPOAKMPGVXUEW-UHFFFAOYSA-N 0 0 309.760 3.222 10 30 DGEERN C#C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000133947658 626847563 /nfs/dbraw/zinc/84/75/63/626847563.db2.gz TZDMDPCRSFOTEP-GFCCVEGCSA-N 0 0 313.231 3.182 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(C(=O)OC)cc1 ZINC000102136299 629956136 /nfs/dbraw/zinc/95/61/36/629956136.db2.gz KAHPHYNGVYKBLS-QWHCGFSZSA-N 0 0 306.358 3.059 10 30 DGEERN C#CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)cc1 ZINC000108185792 631823290 /nfs/dbraw/zinc/82/32/90/631823290.db2.gz ASJYHUPTMQKQCV-OALUTQOASA-N 0 0 321.376 3.449 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000108842822 631960239 /nfs/dbraw/zinc/96/02/39/631960239.db2.gz NVLWSSSRMCCKDH-LLVKDONJSA-N 0 0 300.305 3.330 10 30 DGEERN N#CCOc1ccccc1C(=O)NCCCc1cccc(F)c1 ZINC000109231115 632106125 /nfs/dbraw/zinc/10/61/25/632106125.db2.gz WREWMCZSTRALNO-UHFFFAOYSA-N 0 0 312.344 3.091 10 30 DGEERN CC(C)(CC#N)COC(=O)c1cnc(-c2ccncc2)s1 ZINC000184773349 660186119 /nfs/dbraw/zinc/18/61/19/660186119.db2.gz VGPVGWVIPFXBFT-UHFFFAOYSA-N 0 0 301.371 3.302 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1nc(-c2ccsc2)no1 ZINC000185345939 660217218 /nfs/dbraw/zinc/21/72/18/660217218.db2.gz HYLYDUAOLUOPBA-UHFFFAOYSA-N 0 0 318.398 3.323 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1cc(OC)cc(OC)c1 ZINC000185376407 660219145 /nfs/dbraw/zinc/21/91/45/660219145.db2.gz OJTVGPVXAYOENL-UHFFFAOYSA-N 0 0 304.386 3.229 10 30 DGEERN C#CCC(C)(C)COC(=O)CSCc1ccc(C#N)cc1 ZINC000185366706 660219589 /nfs/dbraw/zinc/21/95/89/660219589.db2.gz XXKPURVDNIXUJQ-UHFFFAOYSA-N 0 0 301.411 3.384 10 30 DGEERN O=C1c2cc3c(cc2OC/C1=C\c1cc(F)ccc1F)OCO3 ZINC000063556845 659396064 /nfs/dbraw/zinc/39/60/64/659396064.db2.gz DSCOJASGPWMUPR-XCVCLJGOSA-N 0 0 316.259 3.352 10 30 DGEERN COCCc1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000073077299 660238939 /nfs/dbraw/zinc/23/89/39/660238939.db2.gz BXXINKDUMZKELH-UHFFFAOYSA-N 0 0 309.365 3.285 10 30 DGEERN C#CCN(CC)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000700627116 660631017 /nfs/dbraw/zinc/63/10/17/660631017.db2.gz XKXQLNZFGCTGBD-LBPRGKRZSA-N 0 0 308.219 3.424 10 30 DGEERN N#CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)o2)C1 ZINC000706014437 660842541 /nfs/dbraw/zinc/84/25/41/660842541.db2.gz BRWDNQFGFHULPB-MALLOTDXSA-N 0 0 323.190 3.208 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2cccc(CC#N)c2)C1 ZINC000711446753 660953385 /nfs/dbraw/zinc/95/33/85/660953385.db2.gz GKRAJGHTUZSUKU-UHFFFAOYSA-N 0 0 315.417 3.468 10 30 DGEERN C#Cc1cccc(NCC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000711449507 660953632 /nfs/dbraw/zinc/95/36/32/660953632.db2.gz YDJXHEOYXLTTRR-UHFFFAOYSA-N 0 0 300.402 3.383 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCOc2ccccc21 ZINC000187633636 655529161 /nfs/dbraw/zinc/52/91/61/655529161.db2.gz ZNCCLTNKOKPEOH-KDOFPFPSSA-N 0 0 304.386 3.325 10 30 DGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000175721155 655532114 /nfs/dbraw/zinc/53/21/14/655532114.db2.gz YUJQIPJRTUNQIP-KBPBESRZSA-N 0 0 306.192 3.192 10 30 DGEERN COc1cccc(/C=N\[C@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000254939601 655546940 /nfs/dbraw/zinc/54/69/40/655546940.db2.gz KKRLMBDWYGPAEU-CQLSMYGBSA-N 0 0 322.368 3.162 10 30 DGEERN C=C[C@H](C)OC(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000187564447 655551507 /nfs/dbraw/zinc/55/15/07/655551507.db2.gz LGTJZRGKGOBJJE-LBPRGKRZSA-N 0 0 306.358 3.175 10 30 DGEERN C=C[C@@H](C)OC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000187581363 655552051 /nfs/dbraw/zinc/55/20/51/655552051.db2.gz HBBMSWICVPUTJD-LLVKDONJSA-N 0 0 304.321 3.234 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@H](C)Cc1ccc2c(c1)OCO2 ZINC000187632800 655554175 /nfs/dbraw/zinc/55/41/75/655554175.db2.gz ZRYFHQQKKOJFBG-ACJLOTCBSA-N 0 0 320.385 3.118 10 30 DGEERN CC(C)C(=O)N1CCC(/N=C\c2cc(Cl)ccc2O)CC1 ZINC000255070847 655590927 /nfs/dbraw/zinc/59/09/27/655590927.db2.gz ILUYAEZNKKTHJG-ZDLGFXPLSA-N 0 0 308.809 3.112 10 30 DGEERN CON=Cc1ccc(C(=O)OCCCOC2CCCC2)cc1 ZINC000255160378 655617100 /nfs/dbraw/zinc/61/71/00/655617100.db2.gz LBPHETDTBMGXAQ-UHFFFAOYSA-N 0 0 305.374 3.173 10 30 DGEERN C#CCN(C(=O)c1sccc1Br)C(C)(C)C ZINC000723037389 655654215 /nfs/dbraw/zinc/65/42/15/655654215.db2.gz RZNMACCLYKRHFY-UHFFFAOYSA-N 0 0 300.221 3.385 10 30 DGEERN N#CCc1ccc(CN2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000721450957 655655870 /nfs/dbraw/zinc/65/58/70/655655870.db2.gz RCZARPASEXMQSA-CYBMUJFWSA-N 0 0 300.349 3.232 10 30 DGEERN C#CCOc1cccc(COC(=O)c2scnc2CC)c1 ZINC000160793803 655678230 /nfs/dbraw/zinc/67/82/30/655678230.db2.gz YIGAUCLZJVLEPX-UHFFFAOYSA-N 0 0 301.367 3.075 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)/C=C\c1ccccc1C#N ZINC000255278365 655680900 /nfs/dbraw/zinc/68/09/00/655680900.db2.gz GVPSZPLHNYSNJP-RXQFDZFGSA-N 0 0 312.413 3.379 10 30 DGEERN COc1ccc(O)c(/C=N\[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000255330411 655701736 /nfs/dbraw/zinc/70/17/36/655701736.db2.gz VVHCQOLUYPUQLO-IZQLPPHKSA-N 0 0 324.380 3.015 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255337299 655702487 /nfs/dbraw/zinc/70/24/87/655702487.db2.gz NSFGPAVQUHPGDD-QXMHVHEDSA-N 0 0 315.369 3.244 10 30 DGEERN COc1ccccc1C[C@@H]1CCCN1C(=O)C#Cc1ccccc1 ZINC000176148852 655744238 /nfs/dbraw/zinc/74/42/38/655744238.db2.gz IRFAZWULSMJCHW-IBGZPJMESA-N 0 0 319.404 3.280 10 30 DGEERN COc1ccc(O)c(/C=N\[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000255431153 655749036 /nfs/dbraw/zinc/74/90/36/655749036.db2.gz QMZCYPPANKRQAO-LPXFMOJISA-N 0 0 322.368 3.162 10 30 DGEERN C=CCCCN(C)C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000176669326 655776248 /nfs/dbraw/zinc/77/62/48/655776248.db2.gz YGPFTNUCAQXDFJ-KRWDZBQOSA-N 0 0 310.438 3.058 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000187624719 655796986 /nfs/dbraw/zinc/79/69/86/655796986.db2.gz SEHGGHYQCGPNQW-XJKSGUPXSA-N 0 0 307.415 3.202 10 30 DGEERN C=C(Br)CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000247142269 655829645 /nfs/dbraw/zinc/82/96/45/655829645.db2.gz ZTKMYXBFNKJPHV-FZMZJTMJSA-N 0 0 314.198 3.496 10 30 DGEERN C[C@H](Oc1ccccc1Br)C(=O)O[C@@H](C#N)C1CC1 ZINC000177038238 655889317 /nfs/dbraw/zinc/88/93/17/655889317.db2.gz QFIOFYNVCDDBIW-ZANVPECISA-N 0 0 324.174 3.062 10 30 DGEERN C[C@@H](OC(=O)c1cnc(-c2ccncc2)s1)C(C)(C)C#N ZINC000179469119 655893372 /nfs/dbraw/zinc/89/33/72/655893372.db2.gz SZGMMFIIIGRRKX-SNVBAGLBSA-N 0 0 301.371 3.300 10 30 DGEERN C=C[C@H](CC(=O)OCc1nnc(C)n1C1CC1)c1ccccc1 ZINC000179675902 655911573 /nfs/dbraw/zinc/91/15/73/655911573.db2.gz ZTJNXQUITOGURA-CQSZACIVSA-N 0 0 311.385 3.325 10 30 DGEERN CC(C)(C)c1nnc(SCC#Cc2ccc(Cl)cc2)n1N ZINC000177470594 655927054 /nfs/dbraw/zinc/92/70/54/655927054.db2.gz AAQDBAJFWHUQJV-UHFFFAOYSA-N 0 0 320.849 3.087 10 30 DGEERN C[C@@H](CC(C)(C)C#N)NCc1ncc(Br)s1 ZINC000714949010 661204641 /nfs/dbraw/zinc/20/46/41/661204641.db2.gz BMLTTWCWIPVEBY-QMMMGPOBSA-N 0 0 302.241 3.324 10 30 DGEERN CCc1cccc(CC)c1NC(=O)CON=C(N)CCC(C)C ZINC000066374530 655948664 /nfs/dbraw/zinc/94/86/64/655948664.db2.gz NKBCGXFLGJYVJA-UHFFFAOYSA-N 0 0 319.449 3.475 10 30 DGEERN N#C[C@H](COC(=O)CC[C@H]1CCCCO1)Cc1cccs1 ZINC000180104572 655950492 /nfs/dbraw/zinc/95/04/92/655950492.db2.gz UPAQIRAZIHBVNI-ZIAGYGMSSA-N 0 0 307.415 3.323 10 30 DGEERN CN(C)c1ccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)cc1 ZINC000255909810 655965723 /nfs/dbraw/zinc/96/57/23/655965723.db2.gz LOOGLIPKBLQCFO-HJWRWDBZSA-N 0 0 316.364 3.168 10 30 DGEERN C#CCCCCC(=O)O[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000180764547 655968898 /nfs/dbraw/zinc/96/88/98/655968898.db2.gz KHBSQMDUIAWJPK-LSDHHAIUSA-N 0 0 323.433 3.417 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)CCOCC(F)(F)F ZINC000122536514 656060708 /nfs/dbraw/zinc/06/07/08/656060708.db2.gz KBJHIUVZXZBZCP-UHFFFAOYSA-N 0 0 318.291 3.298 10 30 DGEERN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162298200 656079692 /nfs/dbraw/zinc/07/96/92/656079692.db2.gz YORWONWTWIPQGY-ZBFHGGJFSA-N 0 0 322.449 3.130 10 30 DGEERN COC(=O)c1ccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182257666 656104497 /nfs/dbraw/zinc/10/44/97/656104497.db2.gz IJAYSRCKVKZBCE-UHFFFAOYSA-N 0 0 321.332 3.248 10 30 DGEERN COc1ccccc1OCC(=O)OCC1(C#N)CCCCC1 ZINC000183720357 656114213 /nfs/dbraw/zinc/11/42/13/656114213.db2.gz DNEZSVIAFKBAQC-UHFFFAOYSA-N 0 0 303.358 3.091 10 30 DGEERN N#CC1(COC(=O)CCSc2ccccc2F)CCOCC1 ZINC000183965415 656116154 /nfs/dbraw/zinc/11/61/54/656116154.db2.gz PIQOLINMEZQMMA-UHFFFAOYSA-N 0 0 323.389 3.171 10 30 DGEERN CSCCCCNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184305548 656118164 /nfs/dbraw/zinc/11/81/64/656118164.db2.gz LNGLGAVOGVNMHK-LBPRGKRZSA-N 0 0 307.419 3.242 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000188092551 656143463 /nfs/dbraw/zinc/14/34/63/656143463.db2.gz BSMYSFDLYORCFX-OAHLLOKOSA-N 0 0 303.358 3.284 10 30 DGEERN N#CCOc1ccccc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191310132 656168002 /nfs/dbraw/zinc/16/80/02/656168002.db2.gz BNXGXKWLWBMQCO-UHFFFAOYSA-N 0 0 306.365 3.396 10 30 DGEERN Cn1c2ccc(/C=C/C(=O)c3ccccc3C#N)cc2sc1=O ZINC000194589760 656202789 /nfs/dbraw/zinc/20/27/89/656202789.db2.gz LNMFWWSQZIODRE-VQHVLOKHSA-N 0 0 320.373 3.368 10 30 DGEERN COCCOc1ccc(C(=O)OCC(C)(C)CCC#N)cc1 ZINC000195056208 656208284 /nfs/dbraw/zinc/20/82/84/656208284.db2.gz IAGMFYVXNHDKAP-UHFFFAOYSA-N 0 0 305.374 3.199 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cnn(Cc2ccccc2)c1 ZINC000195054135 656208387 /nfs/dbraw/zinc/20/83/87/656208387.db2.gz GOLUSFNRQBRIDQ-UHFFFAOYSA-N 0 0 311.385 3.418 10 30 DGEERN COc1cc(OC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1C#N ZINC000195169188 656209976 /nfs/dbraw/zinc/20/99/76/656209976.db2.gz HIUMLRFUPNZYAH-UHFFFAOYSA-N 0 0 318.332 3.341 10 30 DGEERN C=CCn1c(C)nn(CN2CCC(OCC(C)C)CC2)c1=S ZINC000124298254 656233131 /nfs/dbraw/zinc/23/31/31/656233131.db2.gz SSDJSHGULSBNJG-UHFFFAOYSA-N 0 0 324.494 3.003 10 30 DGEERN C=CCCN(Cc1nnc(C)n1CC)OCc1ccccc1 ZINC000187381558 661286253 /nfs/dbraw/zinc/28/62/53/661286253.db2.gz XPKLCIOTQMNHEO-UHFFFAOYSA-N 0 0 300.406 3.116 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(-n2ccnc2)nc1 ZINC000319774173 657182281 /nfs/dbraw/zinc/18/22/81/657182281.db2.gz XQTVJRUZDMACOX-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN O=C(Nc1nc2c(s1)CCCC2)N1CCC[C@@H]1c1ncc[nH]1 ZINC000329718295 657188034 /nfs/dbraw/zinc/18/80/34/657188034.db2.gz YOABDNLCNVJKRW-LLVKDONJSA-N 0 0 317.418 3.128 10 30 DGEERN C=C(COc1cc(Br)ccc1F)C(=O)OCC ZINC000164769618 657330101 /nfs/dbraw/zinc/33/01/01/657330101.db2.gz KGOYGQKIJFYVDZ-UHFFFAOYSA-N 0 0 303.127 3.086 10 30 DGEERN C#Cc1cccc(NC(=O)NCc2cccc(OCCOC)c2)c1 ZINC000046843779 657337104 /nfs/dbraw/zinc/33/71/04/657337104.db2.gz TVMLSHXJSVKDBW-UHFFFAOYSA-N 0 0 324.380 3.015 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc2ccccc2oc1=O ZINC000191120648 657370303 /nfs/dbraw/zinc/37/03/03/657370303.db2.gz IJJHOOVSAVTXQS-GOSISDBHSA-N 0 0 316.353 3.179 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cn(C)nc1C(C)(C)C ZINC000191124037 657370714 /nfs/dbraw/zinc/37/07/14/657370714.db2.gz CWXJIPYBUJWUBP-KRWDZBQOSA-N 0 0 308.422 3.103 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2ncon2)cc1 ZINC000191127785 657370826 /nfs/dbraw/zinc/37/08/26/657370826.db2.gz NKXMYXOXLLVNMU-QGZVFWFLSA-N 0 0 316.357 3.122 10 30 DGEERN COc1ccc(C(=O)CCC(=O)OCC#Cc2ccccc2)cc1 ZINC000182884090 657375218 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301.386 3.434 10 30 DGEERN CC#CCCCCOC(=O)CCc1nc(-c2cccs2)no1 ZINC000183927819 660148171 /nfs/dbraw/zinc/14/81/71/660148171.db2.gz YLWTZNSFERFDEQ-UHFFFAOYSA-N 0 0 318.398 3.468 10 30 DGEERN C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2C)SC1=S ZINC000183937032 660148610 /nfs/dbraw/zinc/14/86/10/660148610.db2.gz GROBOLRZHXNSJY-WQLSENKSSA-N 0 0 320.395 3.290 10 30 DGEERN CC#CCCCCOC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC000183965675 660150567 /nfs/dbraw/zinc/15/05/67/660150567.db2.gz NWVLGNGFSMCPOF-UHFFFAOYSA-N 0 0 322.426 3.057 10 30 DGEERN C=CCOc1ccc(C(=O)OCCC[C@H]2CCCO2)cc1OC ZINC000184433915 660168308 /nfs/dbraw/zinc/16/83/08/660168308.db2.gz FFKRTLQTQSTNLM-OAHLLOKOSA-N 0 0 320.385 3.376 10 30 DGEERN COc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000041516843 661835132 /nfs/dbraw/zinc/83/51/32/661835132.db2.gz WFABQKLCRYOPSF-SMDDNHRTSA-N 0 0 316.382 3.104 10 30 DGEERN C#C[C@@H](C)OC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155246467 661844144 /nfs/dbraw/zinc/84/41/44/661844144.db2.gz 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C#CCN(CC#C)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000075392697 661928170 /nfs/dbraw/zinc/92/81/70/661928170.db2.gz WQAARNFQEDCLMI-UHFFFAOYSA-N 0 0 323.417 3.441 10 30 DGEERN C=CC[C@@]1(C(=O)N2CCC[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000188482403 661932445 /nfs/dbraw/zinc/93/24/45/661932445.db2.gz RHNDMOCBTOTBQC-KSSFIOAISA-N 0 0 322.449 3.343 10 30 DGEERN C=CC[C@H](OC(=O)CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000189241523 661970004 /nfs/dbraw/zinc/97/00/04/661970004.db2.gz CEYNVUDPEHSBMS-HNNXBMFYSA-N 0 0 303.402 3.399 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000189827731 661992481 /nfs/dbraw/zinc/99/24/81/661992481.db2.gz AKJOFIXRQYHIHT-MRXNPFEDSA-N 0 0 307.346 3.175 10 30 DGEERN C=CCOCCCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000076880712 662004243 /nfs/dbraw/zinc/00/42/43/662004243.db2.gz RQRPUPTYJNAFBH-ZDUSSCGKSA-N 0 0 305.374 3.232 10 30 DGEERN CCOc1ccccc1OCC(=O)OCC#Cc1ccccc1 ZINC000076923554 662013403 /nfs/dbraw/zinc/01/34/03/662013403.db2.gz WBPWCNVSDRREEN-UHFFFAOYSA-N 0 0 310.349 3.059 10 30 DGEERN CCCCCCCC[S@](=O)Cc1nsc(N(C)C)n1 ZINC000190847169 662047171 /nfs/dbraw/zinc/04/71/71/662047171.db2.gz KLKYUVVLRRBEIN-IBGZPJMESA-N 0 0 303.497 3.213 10 30 DGEERN N#Cc1ccc2ncc(/C=C/C(=O)c3ccc(F)cc3F)n2c1 ZINC000078162017 662053992 /nfs/dbraw/zinc/05/39/92/662053992.db2.gz FJTPOUCPMZZSNK-HWKANZROSA-N 0 0 309.275 3.380 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000191144830 662055463 /nfs/dbraw/zinc/05/54/63/662055463.db2.gz RHOUVIUXBNLYOX-IWHGQQBYSA-N 0 0 318.369 3.201 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000191141014 662055479 /nfs/dbraw/zinc/05/54/79/662055479.db2.gz KZCUVPVOYZUMNC-GOSISDBHSA-N 0 0 320.385 3.493 10 30 DGEERN C=CCCC(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000191750509 662080273 /nfs/dbraw/zinc/08/02/73/662080273.db2.gz XCFNEZCLABLAKS-ZDUSSCGKSA-N 0 0 322.336 3.212 10 30 DGEERN C=CC[C@]1(C(=O)N(C)C(C)C)CCCN1C(=O)OC(C)(C)C ZINC000191864671 662082750 /nfs/dbraw/zinc/08/27/50/662082750.db2.gz QXDBTOOMHDXISI-QGZVFWFLSA-N 0 0 310.438 3.199 10 30 DGEERN C=CCC1(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)CCC1 ZINC000192302593 662094650 /nfs/dbraw/zinc/09/46/50/662094650.db2.gz SQDAWMPUMZHSKX-UHFFFAOYSA-N 0 0 304.346 3.396 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C1CC1 ZINC000079208234 662103894 /nfs/dbraw/zinc/10/38/94/662103894.db2.gz JPTISHDBZLEDSC-ZWKOTPCHSA-N 0 0 314.381 3.203 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1nnc(-c2ccccc2)o1)C1CC1 ZINC000079210235 662103920 /nfs/dbraw/zinc/10/39/20/662103920.db2.gz UVDQRWBBPFNEIK-MRXNPFEDSA-N 0 0 324.380 3.404 10 30 DGEERN C[C@@H](O)c1nc2ccccc2n1CCCOc1cccc(C#N)c1 ZINC000192834802 662112359 /nfs/dbraw/zinc/11/23/59/662112359.db2.gz AHJWVFDCGKEQNU-CQSZACIVSA-N 0 0 321.380 3.430 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1cc(Br)ccc1F ZINC000080390000 662139478 /nfs/dbraw/zinc/13/94/78/662139478.db2.gz XFFILZQXIDWEDE-LLVKDONJSA-N 0 0 300.127 3.293 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000194087333 662157032 /nfs/dbraw/zinc/15/70/32/662157032.db2.gz KZFFLLSCOGZESZ-UHFFFAOYSA-N 0 0 307.353 3.103 10 30 DGEERN C[C@H](CCNc1cccc(F)c1C#N)NC(=O)OC(C)(C)C ZINC000194979827 662176609 /nfs/dbraw/zinc/17/66/09/662176609.db2.gz YEULCMQMHVGORG-LLVKDONJSA-N 0 0 307.369 3.413 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cccnc1OCC(F)F ZINC000195039397 662176951 /nfs/dbraw/zinc/17/69/51/662176951.db2.gz IJCZXVGWGFKRQC-UHFFFAOYSA-N 0 0 312.316 3.212 10 30 DGEERN C#CCN(C(=O)NC[C@@H](OCC)c1ccccc1)C1CCCC1 ZINC000195184394 662179858 /nfs/dbraw/zinc/17/98/58/662179858.db2.gz SSZSSAMCGBAHSC-GOSISDBHSA-N 0 0 314.429 3.352 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC000083780978 662196586 /nfs/dbraw/zinc/19/65/86/662196586.db2.gz IIOSFIFWCQPCIS-MRXNPFEDSA-N 0 0 318.344 3.142 10 30 DGEERN C[C@@H](OC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)C(C)(C)C#N ZINC000245545193 662235854 /nfs/dbraw/zinc/23/58/54/662235854.db2.gz MPPDBFXKURCQAK-JMSVASOKSA-N 0 0 314.385 3.376 10 30 DGEERN CC1(C)[C@H](OC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]2CCO[C@H]21 ZINC000245557491 662236091 /nfs/dbraw/zinc/23/60/91/662236091.db2.gz FTHZMHXVXGXUCE-ARFHVFGLSA-N 0 0 311.381 3.212 10 30 DGEERN C[C@@H](Oc1ccccc1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000089296546 662241076 /nfs/dbraw/zinc/24/10/76/662241076.db2.gz JAGHPQBXPQRLJV-ZIAGYGMSSA-N 0 0 315.394 3.441 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000089319555 662241858 /nfs/dbraw/zinc/24/18/58/662241858.db2.gz FCACWFYGUAYEOZ-DOTOQJQBSA-N 0 0 315.413 3.118 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2cc(F)cc(C#N)c2)C1 ZINC000718616684 662259447 /nfs/dbraw/zinc/25/94/47/662259447.db2.gz AAQCQBLGNLRLCZ-JNSHFYNHSA-N 0 0 319.380 3.413 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2cnsn2)cc1 ZINC000091101332 662293200 /nfs/dbraw/zinc/29/32/00/662293200.db2.gz OOWQVOMPHCWCLY-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN C=C(Br)CN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000247142280 662302154 /nfs/dbraw/zinc/30/21/54/662302154.db2.gz 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/nfs/dbraw/zinc/92/10/57/1176921057.db2.gz FTZSLWGOURNIBF-LBPRGKRZSA-N 0 0 314.610 3.490 10 30 DGEERN Cc1nc(-c2ccccn2)sc1C(=O)N[C@]1(C)CCO[C@@H]1C ZINC000329626727 1177023599 /nfs/dbraw/zinc/02/35/99/1177023599.db2.gz GUHMGSWDAACDAZ-BDJLRTHQSA-N 0 0 317.414 3.386 10 30 DGEERN Cc1nc(-c2ccccn2)sc1C(=O)N[C@]1(C)CCO[C@H]1C ZINC000329626728 1177023922 /nfs/dbraw/zinc/02/39/22/1177023922.db2.gz GUHMGSWDAACDAZ-MEDUHNTESA-N 0 0 317.414 3.386 10 30 DGEERN C#C[C@](C)(CC)NC(=O)c1cc(Br)cn1C(C)C ZINC000384131846 1177086419 /nfs/dbraw/zinc/08/64/19/1177086419.db2.gz AUVPPOWHNBEMJP-CQSZACIVSA-N 0 0 311.223 3.363 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000455330793 1177168712 /nfs/dbraw/zinc/16/87/12/1177168712.db2.gz VSUJMGCRUNTUEU-HNNXBMFYSA-N 0 0 306.381 3.345 10 30 DGEERN C=CCC[C@@H](NC(=O)Cc1cccc(OC)n1)c1ccccc1 ZINC000338824738 1177783575 /nfs/dbraw/zinc/78/35/75/1177783575.db2.gz PZOXIHOAGNJWDM-QGZVFWFLSA-N 0 0 310.397 3.456 10 30 DGEERN Cc1nc(-c2ccccn2)sc1C(=O)N(C)C1(C#N)CCC1 ZINC000066335424 1195521861 /nfs/dbraw/zinc/52/18/61/1195521861.db2.gz YTIGHIQFLNIQSD-UHFFFAOYSA-N 0 0 312.398 3.032 10 30 DGEERN CCCCCC[C@H](C)NS(=O)(=O)c1cccc(F)c1C#N ZINC000070398070 1195866948 /nfs/dbraw/zinc/86/69/48/1195866948.db2.gz IADCZOZXLRLZJT-LBPRGKRZSA-N 0 0 312.410 3.335 10 30 DGEERN C=C(C)CCNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000386737636 1197707953 /nfs/dbraw/zinc/70/79/53/1197707953.db2.gz XHGCBHAVFPLPMB-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000093137404 1198660454 /nfs/dbraw/zinc/66/04/54/1198660454.db2.gz DCPBTBLPEQDWLY-JTQLQIEISA-N 0 0 302.827 3.354 10 30 DGEERN COC(C)(C)CN(C)c1ccc(C#N)c(Br)c1F ZINC000404326241 1199545726 /nfs/dbraw/zinc/54/57/26/1199545726.db2.gz SNXPTOSBLIVKTM-UHFFFAOYSA-N 0 0 315.186 3.321 10 30 DGEERN CO[C@H](C)CCNc1ccc(C#N)c(Br)c1F ZINC000310471853 1199721359 /nfs/dbraw/zinc/72/13/59/1199721359.db2.gz IQWAGHFLWYMZID-MRVPVSSYSA-N 0 0 301.159 3.297 10 30 DGEERN C[C@@H](O)C[C@H]1CCCN1c1cc(Br)ccc1C#N ZINC000310627553 1199722180 /nfs/dbraw/zinc/72/21/80/1199722180.db2.gz LAMSNUSEIMOTBB-ZWNOBZJWSA-N 0 0 309.207 3.060 10 30 DGEERN C=CCCCS(=O)(=O)NCc1nc(-c2ccccc2)cs1 ZINC000293135287 1201570769 /nfs/dbraw/zinc/57/07/69/1201570769.db2.gz WFEDGTNLEKAHKB-UHFFFAOYSA-N 0 0 322.455 3.196 10 30 DGEERN CN(C[C@H]1CCCO1)c1ccc(C#N)c(Br)c1F ZINC000231844608 1202600321 /nfs/dbraw/zinc/60/03/21/1202600321.db2.gz BWQLYUZTCIBPON-SNVBAGLBSA-N 0 0 313.170 3.075 10 30 DGEERN C#CCSCCNC(=O)N(Cc1ccccc1F)C1CCC1 ZINC000150984959 1202590991 /nfs/dbraw/zinc/59/09/91/1202590991.db2.gz HCPWVSSWGWIVQE-UHFFFAOYSA-N 0 0 320.433 3.256 10 30 DGEERN C#CCCCCNC(=O)c1cc(C)c(Br)s1 ZINC000229746553 1202596787 /nfs/dbraw/zinc/59/67/87/1202596787.db2.gz GQUCMPZVHXFFAU-UHFFFAOYSA-N 0 0 300.221 3.352 10 30 DGEERN C[C@@H](Cn1cccn1)Nc1ccc(C#N)c(Br)c1F ZINC000231844719 1202600308 /nfs/dbraw/zinc/60/03/08/1202600308.db2.gz YHZQNWLOWVLCHN-VIFPVBQESA-N 0 0 323.169 3.157 10 30 DGEERN CN(Cc1ccccn1)c1ccc(C#N)c(Br)c1F ZINC000231844204 1202600333 /nfs/dbraw/zinc/60/03/33/1202600333.db2.gz RQKDMDJEPGWWHB-UHFFFAOYSA-N 0 0 320.165 3.491 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000159075813 1202604395 /nfs/dbraw/zinc/60/43/95/1202604395.db2.gz PQTAOCZNJUUZER-HNNXBMFYSA-N 0 0 310.401 3.036 10 30 DGEERN CCN(c1ccc(C#N)c(Br)c1)[C@@H]1CCCOC1 ZINC000402772392 1203287564 /nfs/dbraw/zinc/28/75/64/1203287564.db2.gz JUXCYPACMUPXAL-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN C=C(C)COCCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000163755170 1203589558 /nfs/dbraw/zinc/58/95/58/1203589558.db2.gz MMWJIDQQPUKXBQ-UHFFFAOYSA-N 0 0 310.825 3.355 10 30 DGEERN N#Cc1ccc(Cn2cnc(NC(=O)CC3=CCCCC3)n2)cc1 ZINC000178011948 1203992130 /nfs/dbraw/zinc/99/21/30/1203992130.db2.gz PWLGVGPKSMXNLX-UHFFFAOYSA-N 0 0 321.384 3.027 10 30 DGEERN C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)[C@H](C)CO1 ZINC000300428063 1204330926 /nfs/dbraw/zinc/33/09/26/1204330926.db2.gz RBGNMBZNGLJINZ-RKDXNWHRSA-N 0 0 313.170 3.073 10 30 DGEERN Cc1noc([C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C(C)C)n1 ZINC000180662207 1204333350 /nfs/dbraw/zinc/33/33/50/1204333350.db2.gz QTTNIPCEZBEXLU-HNNXBMFYSA-N 0 0 324.384 3.060 10 30 DGEERN CCCCCCCCC[N+](C)(C)CCCOS(=O)(=O)[O-] ZINC000117815210 717150198 /nfs/dbraw/zinc/15/01/98/717150198.db2.gz UPEPSGLEIWWSAF-UHFFFAOYSA-O 0 0 310.480 3.023 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc2c(c1)CCN2C ZINC000588410369 1082170079 /nfs/dbraw/zinc/17/00/79/1082170079.db2.gz LYPZTDLBXSTGGR-DAXSKMNVSA-N 0 0 309.365 3.289 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C#N)c1 ZINC000588436460 1082269329 /nfs/dbraw/zinc/26/93/29/1082269329.db2.gz RWMLGYHELTZUKC-LCYFTJDESA-N 0 0 321.336 3.186 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588444503 1082289424 /nfs/dbraw/zinc/28/94/24/1082289424.db2.gz YTJMJNYYVFHHDD-FNWMBBJUSA-N 0 0 301.346 3.006 10 30 DGEERN C/C(=C/C(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000588497663 1082494274 /nfs/dbraw/zinc/49/42/74/1082494274.db2.gz NLFWGNFCWXYRBI-SQFISAMPSA-N 0 0 311.429 3.199 10 30 DGEERN COc1cccc(C#CCOC(=O)CCC(=O)c2ccccc2)c1 ZINC000176593411 1088129213 /nfs/dbraw/zinc/12/92/13/1088129213.db2.gz VFMRGOZWMFJEGY-UHFFFAOYSA-N 0 0 322.360 3.253 10 30 DGEERN COc1cccc(C#CCOC(=O)CCc2cccc(OC)c2)c1 ZINC000176596284 1088135514 /nfs/dbraw/zinc/13/55/14/1088135514.db2.gz GYVQGODZHMIRCH-UHFFFAOYSA-N 0 0 324.376 3.231 10 30 DGEERN COCc1cccc(C(=O)OCC#Cc2cccc(OC)c2)c1 ZINC000176606284 1088186015 /nfs/dbraw/zinc/18/60/15/1088186015.db2.gz NWKYBBFXQONHBZ-UHFFFAOYSA-N 0 0 310.349 3.050 10 30 DGEERN CCO[C@@H](C(=O)OCC#Cc1cccc(OC)c1)c1ccccc1 ZINC000176608793 1088197348 /nfs/dbraw/zinc/19/73/48/1088197348.db2.gz QGIISTLCDLTTPF-LJQANCHMSA-N 0 0 324.376 3.368 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 ZINC000179887622 1093819371 /nfs/dbraw/zinc/81/93/71/1093819371.db2.gz HPTYHYWPAMQBQW-WFASDCNBSA-N 0 0 315.369 3.491 10 30 DGEERN N#Cc1cncc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC000401339644 1094705119 /nfs/dbraw/zinc/70/51/19/1094705119.db2.gz QYQXTHGTMVLYLB-UHFFFAOYSA-N 0 0 311.084 3.356 10 30 DGEERN C#CCSCCNc1cc(Br)c(C#N)cc1F ZINC000310205304 1094893273 /nfs/dbraw/zinc/89/32/73/1094893273.db2.gz IOCAEJZYMFZKRS-UHFFFAOYSA-N 0 0 313.195 3.238 10 30 DGEERN C=C(COc1ccc([N+](=O)[O-])c2ccccc12)C(=O)OCC ZINC000315673494 1095126733 /nfs/dbraw/zinc/12/67/33/1095126733.db2.gz UVDKEFCKTZKPKW-UHFFFAOYSA-N 0 0 301.298 3.246 10 30 DGEERN N#CCOc1ccc(CC(=O)Nc2ccc3cc[nH]c3c2)cc1 ZINC000194864524 1095164322 /nfs/dbraw/zinc/16/43/22/1095164322.db2.gz ZMRRSKMLVPKKJI-UHFFFAOYSA-N 0 0 305.337 3.251 10 30 DGEERN CCCCCCCCNC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000159329599 1101050226 /nfs/dbraw/zinc/05/02/26/1101050226.db2.gz FIOFBUDNADBXNL-CYBMUJFWSA-N 0 0 300.443 3.376 10 30 DGEERN Cc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1C#N ZINC000701849750 1108992877 /nfs/dbraw/zinc/99/28/77/1108992877.db2.gz ZPVRISUQFPIGRN-UHFFFAOYSA-N 0 0 305.786 3.494 10 30 DGEERN CC(C)c1cc(C(=O)N2CCC(C#N)CC2)nn1C(C)(C)C ZINC000061584494 432001989 /nfs/dbraw/zinc/00/19/89/432001989.db2.gz XSAYTHGJXNOCOO-UHFFFAOYSA-N 0 0 302.422 3.137 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000103028029 432002556 /nfs/dbraw/zinc/00/25/56/432002556.db2.gz AQUOKPTWODEAEN-KRWDZBQOSA-N 0 0 318.376 3.147 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000278769506 214388334 /nfs/dbraw/zinc/38/83/34/214388334.db2.gz SVCAXXZNPRTQTJ-DJIMGWMZSA-N 0 0 303.377 3.123 10 30 DGEERN CC[C@@H](CC#N)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000193968332 529448256 /nfs/dbraw/zinc/44/82/56/529448256.db2.gz XHVUTGNWHSWPCJ-ZDUSSCGKSA-N 0 0 324.446 3.098 10 30 DGEERN CCc1c(C(=O)Nc2cc(C#N)ccn2)cnn1CCC(C)C ZINC000436015403 529489673 /nfs/dbraw/zinc/48/96/73/529489673.db2.gz HQYQTMNESSOFDA-UHFFFAOYSA-N 0 0 311.389 3.011 10 30 DGEERN CC[C@H](NC(=O)c1cn2ccnc2s1)c1c(C)nn(C)c1C ZINC000329840111 529581680 /nfs/dbraw/zinc/58/16/80/529581680.db2.gz OBAYTNIYBFBPML-NSHDSACASA-N 0 0 317.418 3.202 10 30 DGEERN C=CCN(Cc1cn2ccccc2n1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381152 432005914 /nfs/dbraw/zinc/00/59/14/432005914.db2.gz LPXSETYTAOYKCX-UHFFFAOYSA-N 0 0 322.368 3.431 10 30 DGEERN CC(=O)NC[C@@H]1CCCN(c2ccc(C#N)c3ccccc32)C1 ZINC000090563361 185303883 /nfs/dbraw/zinc/30/38/83/185303883.db2.gz AAGPEWFLLMRKSS-HNNXBMFYSA-N 0 0 307.397 3.064 10 30 DGEERN COC[C@@H](C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000103379720 432008026 /nfs/dbraw/zinc/00/80/26/432008026.db2.gz NFESXNVLRPPVDO-CQSZACIVSA-N 0 0 324.380 3.358 10 30 DGEERN COC[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000103394173 432008410 /nfs/dbraw/zinc/00/84/10/432008410.db2.gz WOJYIYAOIUTOFA-AWEZNQCLSA-N 0 0 324.380 3.358 10 30 DGEERN Cc1nn(CC(=O)c2ccc(C#N)cc2)c(C)c1Br ZINC000050593618 190679988 /nfs/dbraw/zinc/67/99/88/190679988.db2.gz PXKVNZVUHZMVQR-UHFFFAOYSA-N 0 0 318.174 3.017 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000105020061 432017571 /nfs/dbraw/zinc/01/75/71/432017571.db2.gz LYGVBUBEPPZIDT-UHFFFAOYSA-N 0 0 300.362 3.475 10 30 DGEERN CC(C)Oc1ccc(F)cc1NC(=O)N1CCC(C#N)CC1 ZINC000105033600 432017948 /nfs/dbraw/zinc/01/79/48/432017948.db2.gz LKSDDSIQUZBNNC-UHFFFAOYSA-N 0 0 305.353 3.380 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000105309828 432018253 /nfs/dbraw/zinc/01/82/53/432018253.db2.gz NVMNDJDNYAMYED-BBRMVZONSA-N 0 0 317.389 3.481 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000277455461 213538355 /nfs/dbraw/zinc/53/83/55/213538355.db2.gz OMUGHLNJRYQARD-UHFFFAOYSA-N 0 0 323.314 3.206 10 30 DGEERN COCC[C@@H](Nc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000127124567 185918544 /nfs/dbraw/zinc/91/85/44/185918544.db2.gz FBCPJBNXVJQOMA-CQSZACIVSA-N 0 0 302.765 3.191 10 30 DGEERN C=CCN(CC=C)C(=O)Cc1cc(Br)ccc1OC ZINC000172735113 198142827 /nfs/dbraw/zinc/14/28/27/198142827.db2.gz SXGJAHINGVCBKS-UHFFFAOYSA-N 0 0 324.218 3.201 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000173403412 198210879 /nfs/dbraw/zinc/21/08/79/198210879.db2.gz JOKIKOFASFQQRU-CQSZACIVSA-N 0 0 322.474 3.394 10 30 DGEERN C=CCOCCCC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000173809439 198255032 /nfs/dbraw/zinc/25/50/32/198255032.db2.gz AEGKRPXLCLEWKE-PBHICJAKSA-N 0 0 321.392 3.097 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000174263503 198312286 /nfs/dbraw/zinc/31/22/86/198312286.db2.gz NNFLLQJRYTZBRR-UHFFFAOYSA-N 0 0 321.368 3.312 10 30 DGEERN COc1ccc(OC)c(C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000003915524 181058123 /nfs/dbraw/zinc/05/81/23/181058123.db2.gz FFUVITXFNNXCPG-ZZXKWVIFSA-N 0 0 300.310 3.011 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NC2(CC)CCC2)cc1 ZINC000176512774 198594962 /nfs/dbraw/zinc/59/49/62/198594962.db2.gz ZYBHRYCQZKTNQL-UHFFFAOYSA-N 0 0 301.390 3.057 10 30 DGEERN CCCOc1cc(F)ccc1NC(=O)c1cc(C#N)cn1C ZINC000131503625 432039932 /nfs/dbraw/zinc/03/99/32/432039932.db2.gz SLGICOBMOWWHDC-UHFFFAOYSA-N 0 0 301.321 3.077 10 30 DGEERN C=CCOc1ccccc1C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000107914552 432042247 /nfs/dbraw/zinc/04/22/47/432042247.db2.gz FLPQDEVAIIRSOG-INIZCTEOSA-N 0 0 310.397 3.107 10 30 DGEERN Clc1ccc(N=NCc2ccc(Br)cc2)nn1 ZINC000004962881 181179985 /nfs/dbraw/zinc/17/99/85/181179985.db2.gz WWIQGVOOBRKMRK-VGOFMYFVSA-N 0 0 311.570 3.339 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)ccn1 ZINC000195122216 283091129 /nfs/dbraw/zinc/09/11/29/283091129.db2.gz NJRCLROWHNBQQC-AWEZNQCLSA-N 0 0 313.357 3.059 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1O ZINC000189085539 283129300 /nfs/dbraw/zinc/12/93/00/283129300.db2.gz QARZGOTXJPRRKY-MRXNPFEDSA-N 0 0 310.328 3.210 10 30 DGEERN CCOc1cc(C=NNc2ccc(C(=O)OC)cc2)ccc1O ZINC000005463929 181246909 /nfs/dbraw/zinc/24/69/09/181246909.db2.gz UFEIPJGFVLNZFH-WOJGMQOQSA-N 0 0 314.341 3.024 10 30 DGEERN CC(C)C[C@@H](C)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000184693679 199751654 /nfs/dbraw/zinc/75/16/54/199751654.db2.gz BLHNSWCZHYQDDF-MRXNPFEDSA-N 0 0 313.445 3.279 10 30 DGEERN Cc1ccc([C@@H]2CN(Cc3ccc(C#N)cc3F)CCO2)o1 ZINC000179510942 432061003 /nfs/dbraw/zinc/06/10/03/432061003.db2.gz IFNVGMQVQUODRA-KRWDZBQOSA-N 0 0 300.333 3.172 10 30 DGEERN N#Cc1cccc(N2C(=O)N[C@H](c3ccc(Cl)cc3)C2=O)c1 ZINC000192404470 283207760 /nfs/dbraw/zinc/20/77/60/283207760.db2.gz CZMYILYNKSMEFG-CQSZACIVSA-N 0 0 311.728 3.009 10 30 DGEERN CCCCCC(=O)Nc1ccc(C(=O)Cn2ccnc2C#N)cc1 ZINC000179870884 432073073 /nfs/dbraw/zinc/07/30/73/432073073.db2.gz JRVQNGBGTVESCV-UHFFFAOYSA-N 0 0 324.384 3.156 10 30 DGEERN Cc1nc(C(=O)Nc2sc3c(c2C#N)CCC3)c(C)s1 ZINC000179232092 199002558 /nfs/dbraw/zinc/00/25/58/199002558.db2.gz ZYJBPCRHZYDGNT-UHFFFAOYSA-N 0 0 303.412 3.434 10 30 DGEERN CCN(Cc1c(C)nn(C)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463819 199040590 /nfs/dbraw/zinc/04/05/90/199040590.db2.gz UBQXWPNXMSOQTR-AWEZNQCLSA-N 0 0 312.417 3.192 10 30 DGEERN C#CCCCCC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000179949424 199097968 /nfs/dbraw/zinc/09/79/68/199097968.db2.gz MCQXDLWVCYLVOM-UHFFFAOYSA-N 0 0 315.413 3.452 10 30 DGEERN N#Cc1ccc(CCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632521 432074559 /nfs/dbraw/zinc/07/45/59/432074559.db2.gz QAXCYKRCSYSQHH-UHFFFAOYSA-N 0 0 318.336 3.180 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180700027 199199594 /nfs/dbraw/zinc/19/95/94/199199594.db2.gz BTJCSPHPOXTFMO-OAHLLOKOSA-N 0 0 313.336 3.180 10 30 DGEERN COc1ccc(CSCc2ncnn2CC(C)C)cc1C#N ZINC000180717912 199201212 /nfs/dbraw/zinc/20/12/12/199201212.db2.gz OYSPTZWDTOOYCI-UHFFFAOYSA-N 0 0 316.430 3.248 10 30 DGEERN N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000179996176 432076571 /nfs/dbraw/zinc/07/65/71/432076571.db2.gz FTTQLPHDTQCSFS-INIZCTEOSA-N 0 0 317.348 3.383 10 30 DGEERN O=C1/C(=C/c2ccc(O)c(O)c2)CC/C1=C\c1ccc(O)c(O)c1 ZINC000005955759 181300837 /nfs/dbraw/zinc/30/08/37/181300837.db2.gz MJDXEGMXLDBXSV-FNCQTZNRSA-N 0 0 324.332 3.339 10 30 DGEERN C[C@H](Sc1nnnn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000189818463 432093824 /nfs/dbraw/zinc/09/38/24/432093824.db2.gz ZSMLGVBDQPLDCV-ZDUSSCGKSA-N 0 0 321.409 3.446 10 30 DGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000054277713 283612310 /nfs/dbraw/zinc/61/23/10/283612310.db2.gz OQCKYSAAGOFJHF-UHFFFAOYSA-N 0 0 316.704 3.076 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000436014307 238383231 /nfs/dbraw/zinc/38/32/31/238383231.db2.gz FDBOXHGPCNRPNH-MNOVXSKESA-N 0 0 317.270 3.113 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000436011254 238383780 /nfs/dbraw/zinc/38/37/80/238383780.db2.gz ASAJJCNVXFZIDB-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C#N)ccn1 ZINC000436011692 238383924 /nfs/dbraw/zinc/38/39/24/238383924.db2.gz DSOJKPTZWXRHED-JTQLQIEISA-N 0 0 301.733 3.013 10 30 DGEERN Cc1ccccc1C[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000055557388 283623456 /nfs/dbraw/zinc/62/34/56/283623456.db2.gz GLKMAMONKZYARI-HOTGVXAUSA-N 0 0 322.408 3.381 10 30 DGEERN C[C@H]1SCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1C ZINC000180919207 291256735 /nfs/dbraw/zinc/25/67/35/291256735.db2.gz GNVSDHJPTCYCFT-CHWSQXEVSA-N 0 0 300.427 3.208 10 30 DGEERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccnc(C#N)c1 ZINC000193308876 201026624 /nfs/dbraw/zinc/02/66/24/201026624.db2.gz AONOROHWGAABGL-SWLSCSKDSA-N 0 0 309.344 3.111 10 30 DGEERN CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccnc(C#N)c1 ZINC000193583870 201079488 /nfs/dbraw/zinc/07/94/88/201079488.db2.gz GLTWEDZIOOCQKX-UHFFFAOYSA-N 0 0 313.382 3.496 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000439170462 238836407 /nfs/dbraw/zinc/83/64/07/238836407.db2.gz UESKAOYQHNKWPN-ZDUSSCGKSA-N 0 0 304.357 3.016 10 30 DGEERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000195052420 201332072 /nfs/dbraw/zinc/33/20/72/201332072.db2.gz QYCLBFORAFSWNW-LLVKDONJSA-N 0 0 322.393 3.396 10 30 DGEERN CCc1ccc(O)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000074826769 283806902 /nfs/dbraw/zinc/80/69/02/283806902.db2.gz AOPXAHWJWLZGGA-GFCCVEGCSA-N 0 0 310.353 3.232 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)CCCC1 ZINC000449216687 240071653 /nfs/dbraw/zinc/07/16/53/240071653.db2.gz UNRCSIQEYDDVRO-AWEZNQCLSA-N 0 0 316.449 3.318 10 30 DGEERN C=CCSCCNC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000171121877 432104641 /nfs/dbraw/zinc/10/46/41/432104641.db2.gz MQNUGYZKTBTHJT-UHFFFAOYSA-N 0 0 322.474 3.373 10 30 DGEERN C=CCC1(C(=O)NC2CCN(c3ccccn3)CC2)CCCC1 ZINC000449613836 240320589 /nfs/dbraw/zinc/32/05/89/240320589.db2.gz DBOPWBYXXNOFNI-UHFFFAOYSA-N 0 0 313.445 3.303 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000450091040 240557237 /nfs/dbraw/zinc/55/72/37/240557237.db2.gz MAMTYORXAIWGOQ-UHFFFAOYSA-N 0 0 323.371 3.355 10 30 DGEERN CCC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1F ZINC000450100168 240560359 /nfs/dbraw/zinc/56/03/59/240560359.db2.gz JCAFEJVYEBIBFG-HNNXBMFYSA-N 0 0 317.339 3.446 10 30 DGEERN CC[C@]1(C)CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451284600 241071254 /nfs/dbraw/zinc/07/12/54/241071254.db2.gz PRGPGTHQHPXUHB-MRXNPFEDSA-N 0 0 324.421 3.039 10 30 DGEERN C=CCC1(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCCCC1 ZINC000451369195 241098504 /nfs/dbraw/zinc/09/85/04/241098504.db2.gz ASUGGJCDVCKUTI-IBGZPJMESA-N 0 0 321.461 3.310 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)CCCCC1 ZINC000451369377 241098715 /nfs/dbraw/zinc/09/87/15/241098715.db2.gz MZTLCZRNIYJVKI-QFBILLFUSA-N 0 0 321.461 3.310 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CCCC1 ZINC000451388147 241106739 /nfs/dbraw/zinc/10/67/39/241106739.db2.gz JCRHETOOUQFSCK-BXWFABGCSA-N 0 0 321.461 3.308 10 30 DGEERN C=CCCCNC(=O)c1ccc(C)c(C(=O)NCCCC=C)c1 ZINC000451519103 241153291 /nfs/dbraw/zinc/15/32/91/241153291.db2.gz UVYWLMZCXRSPSV-UHFFFAOYSA-N 0 0 314.429 3.387 10 30 DGEERN N#Cc1ccc(SCC(=O)NCCc2ccsc2)cc1 ZINC000080123428 283893670 /nfs/dbraw/zinc/89/36/70/283893670.db2.gz DNWPHDMZSMFNQL-UHFFFAOYSA-N 0 0 302.424 3.071 10 30 DGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NCC1CCCCCC1 ZINC000451808712 241240817 /nfs/dbraw/zinc/24/08/17/241240817.db2.gz GIXYDMSRHUNTFJ-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(C)(F)F ZINC000452213172 241355278 /nfs/dbraw/zinc/35/52/78/241355278.db2.gz PLFFFIGSGQDGNL-AWEZNQCLSA-N 0 0 310.344 3.123 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(C)(F)F ZINC000452213173 241355313 /nfs/dbraw/zinc/35/53/13/241355313.db2.gz PLFFFIGSGQDGNL-CQSZACIVSA-N 0 0 310.344 3.123 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000080977115 283907070 /nfs/dbraw/zinc/90/70/70/283907070.db2.gz XJOBKASACQSKBG-UHFFFAOYSA-N 0 0 323.274 3.090 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000452262052 241365494 /nfs/dbraw/zinc/36/54/94/241365494.db2.gz POVBNJMILTXJSW-UHFFFAOYSA-N 0 0 323.477 3.293 10 30 DGEERN CCc1ccc(CN(C(=O)c2cc(C#N)cn2C)C2CC2)cc1 ZINC000081000997 283907759 /nfs/dbraw/zinc/90/77/59/283907759.db2.gz PJQOZBVPOSQVRG-UHFFFAOYSA-N 0 0 307.397 3.264 10 30 DGEERN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(C#N)cn1C ZINC000081002102 283907896 /nfs/dbraw/zinc/90/78/96/283907896.db2.gz QSMGSENWOQWBMV-JTQLQIEISA-N 0 0 303.312 3.008 10 30 DGEERN Cc1c(Cl)ccc2c1N(C(=O)c1cc(C#N)cn1C)CCC2 ZINC000081547393 283920089 /nfs/dbraw/zinc/92/00/89/283920089.db2.gz LUWVXFRVOYLIDI-UHFFFAOYSA-N 0 0 313.788 3.452 10 30 DGEERN C=CCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453442681 241788355 /nfs/dbraw/zinc/78/83/55/241788355.db2.gz PZNIHPCQVUFHJB-KBXCAEBGSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCC1(CNC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CCCC1 ZINC000454715103 242016841 /nfs/dbraw/zinc/01/68/41/242016841.db2.gz RXVHLWZVGFHIMN-ZDUSSCGKSA-N 0 0 304.438 3.085 10 30 DGEERN CCC(C)(C)NC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135333502 432112541 /nfs/dbraw/zinc/11/25/41/432112541.db2.gz YBKBONPGRAJJEF-GFCCVEGCSA-N 0 0 320.458 3.493 10 30 DGEERN C=CCN(CCC1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246243309 432112334 /nfs/dbraw/zinc/11/23/34/432112334.db2.gz OHOFZSWVADRIST-INMHGKMJSA-N 0 0 313.507 3.124 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000455380402 242185000 /nfs/dbraw/zinc/18/50/00/242185000.db2.gz IQLJHXGLZYEYJP-KSSFIOAISA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456118391 242353893 /nfs/dbraw/zinc/35/38/93/242353893.db2.gz HWQHVNNTAHQSAW-UHFFFAOYSA-N 0 0 302.252 3.310 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)Nc1ccc(CCC(C)C)cn1 ZINC000455969969 242321160 /nfs/dbraw/zinc/32/11/60/242321160.db2.gz XROFJHKJBRBWLA-HNNXBMFYSA-N 0 0 305.422 3.119 10 30 DGEERN C=CCC1(NC(=O)[C@@H](C)NC(=O)c2ccccc2)CCCCC1 ZINC000456383460 242437960 /nfs/dbraw/zinc/43/79/60/242437960.db2.gz PFFJYTLAWUJGNZ-OAHLLOKOSA-N 0 0 314.429 3.200 10 30 DGEERN C=CCC[C@@H](NC(=O)c1c(C)oc2ccccc21)C(=O)OCC ZINC000456615727 242508639 /nfs/dbraw/zinc/50/86/39/242508639.db2.gz WUTANSLQKYBCLI-CQSZACIVSA-N 0 0 315.369 3.369 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456833276 242570428 /nfs/dbraw/zinc/57/04/28/242570428.db2.gz JZELZTZWIWFFPI-BMFZPTHFSA-N 0 0 307.340 3.219 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)NCC2CC2)cc1 ZINC000091208632 283998606 /nfs/dbraw/zinc/99/86/06/283998606.db2.gz QVXOZNHAVILYHX-UHFFFAOYSA-N 0 0 305.381 3.434 10 30 DGEERN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1sccc1C#N ZINC000458267246 243013172 /nfs/dbraw/zinc/01/31/72/243013172.db2.gz HMJDOSBBXPSABW-LLVKDONJSA-N 0 0 302.374 3.462 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC([C@@H](C)O)CC1)c1ccccc1 ZINC000275166986 212166344 /nfs/dbraw/zinc/16/63/44/212166344.db2.gz RSDBPGIYUQARJZ-QAPCUYQASA-N 0 0 301.430 3.356 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458835663 243174677 /nfs/dbraw/zinc/17/46/77/243174677.db2.gz KATOUEGGLPXEDG-KRWDZBQOSA-N 0 0 315.417 3.266 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000458894457 243192352 /nfs/dbraw/zinc/19/23/52/243192352.db2.gz YOLMPHVZYAOLAF-MRXNPFEDSA-N 0 0 306.381 3.047 10 30 DGEERN C=C(C)CCNC(=O)N(CC)[C@@H](COC)Cc1ccccc1 ZINC000458989396 243220220 /nfs/dbraw/zinc/22/02/20/243220220.db2.gz BDQKMKHNQBWKHE-QGZVFWFLSA-N 0 0 304.434 3.242 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1Cc2ccc(Cl)cc2C1 ZINC000459754863 243484059 /nfs/dbraw/zinc/48/40/59/243484059.db2.gz FFAQWLQIXDCGDR-ZDUSSCGKSA-N 0 0 304.821 3.245 10 30 DGEERN C=C(C)[C@H](NC(=O)N(C)[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000275090655 212115184 /nfs/dbraw/zinc/11/51/84/212115184.db2.gz HZHFYEYIYTWSQJ-WFASDCNBSA-N 0 0 310.344 3.012 10 30 DGEERN C=C(C)CN(C)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000479288597 244647616 /nfs/dbraw/zinc/64/76/16/244647616.db2.gz QVNNWURRAHSOPC-UHFFFAOYSA-N 0 0 324.380 3.226 10 30 DGEERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093889193 193324253 /nfs/dbraw/zinc/32/42/53/193324253.db2.gz GLVPSEMQBMBZAE-QKVFXAPYSA-N 0 0 302.399 3.082 10 30 DGEERN CC#CCCNC(=O)NCc1sc(-c2ccccc2)nc1C ZINC000482973397 244827445 /nfs/dbraw/zinc/82/74/45/244827445.db2.gz TYFCGQDGNOFWPD-UHFFFAOYSA-N 0 0 313.426 3.331 10 30 DGEERN Cc1cc(CNc2ccc3ccc(=O)n(C)c3c2)ccc1C#N ZINC000487176281 245030029 /nfs/dbraw/zinc/03/00/29/245030029.db2.gz XSAUTLLXKYFDRM-UHFFFAOYSA-N 0 0 303.365 3.331 10 30 DGEERN CN(C1(C)CCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000486939480 245000967 /nfs/dbraw/zinc/00/09/67/245000967.db2.gz JGDSZIIWWZCUCX-UHFFFAOYSA-N 0 0 312.822 3.165 10 30 DGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488990387 245259544 /nfs/dbraw/zinc/25/95/44/245259544.db2.gz ZYOGKVJMVWCTSO-AAEUAGOBSA-N 0 0 308.328 3.020 10 30 DGEERN C=CCOc1cccnc1C(=O)N(C)Cc1ccc(F)cc1C ZINC000489478130 245313206 /nfs/dbraw/zinc/31/32/06/245313206.db2.gz WKCIHNWADPWBCQ-UHFFFAOYSA-N 0 0 314.360 3.366 10 30 DGEERN COC(=O)[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000246361777 432123887 /nfs/dbraw/zinc/12/38/87/432123887.db2.gz GSFIVGOLMIRGRW-GBESFXJTSA-N 0 0 320.392 3.166 10 30 DGEERN C=CCN(CC=C)C(=S)NC(=O)c1ccc(OC(C)C)cc1 ZINC000008563315 181564606 /nfs/dbraw/zinc/56/46/06/181564606.db2.gz VUJLAUOIRRLFAQ-UHFFFAOYSA-N 0 0 318.442 3.163 10 30 DGEERN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1C ZINC000009001773 181596735 /nfs/dbraw/zinc/59/67/35/181596735.db2.gz KUNQLMQPJNCBFG-UHFFFAOYSA-N 0 0 314.414 3.183 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000125607038 284279414 /nfs/dbraw/zinc/27/94/14/284279414.db2.gz DCQHDYZQZVHRDU-LBPRGKRZSA-N 0 0 310.328 3.434 10 30 DGEERN COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(C#N)cc1C ZINC000126061093 284292069 /nfs/dbraw/zinc/29/20/69/284292069.db2.gz KJMYFDPWCSJBEG-AWEZNQCLSA-N 0 0 324.380 3.073 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000126054727 284292075 /nfs/dbraw/zinc/29/20/75/284292075.db2.gz XNXCDWNBGSOWMU-UHFFFAOYSA-N 0 0 309.344 3.102 10 30 DGEERN S=C1N=NC(COc2ccccc2)N1N=Cc1cccs1 ZINC000013115264 181829340 /nfs/dbraw/zinc/82/93/40/181829340.db2.gz RCHYOAJESHBWED-DHDCSXOGSA-N 0 0 316.411 3.090 10 30 DGEERN Cc1ccc(OC[C@H](O)COc2ccc(C#N)c(Cl)c2)cc1 ZINC000190166728 432127301 /nfs/dbraw/zinc/12/73/01/432127301.db2.gz ZYCMTJAIOJZVGI-AWEZNQCLSA-N 0 0 317.772 3.339 10 30 DGEERN COc1ccc2c(CC(=O)Nc3ccc(C#N)cc3)coc2c1 ZINC000015575134 182007667 /nfs/dbraw/zinc/00/76/67/182007667.db2.gz KPWOWRGDKMNTRQ-UHFFFAOYSA-N 0 0 306.321 3.494 10 30 DGEERN CN1C(=O)/C(=C/c2cccnc2)S/C1=N\c1ccc(O)cc1 ZINC000016904529 182064035 /nfs/dbraw/zinc/06/40/35/182064035.db2.gz MSLBVAMQJMJXOE-BSYVZCAJSA-N 0 0 311.366 3.021 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccnc1OCC(F)F ZINC000129021618 284395365 /nfs/dbraw/zinc/39/53/65/284395365.db2.gz VUMHCAVYWSEANM-UHFFFAOYSA-N 0 0 317.295 3.158 10 30 DGEERN C/C(=N\O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000019997385 182175482 /nfs/dbraw/zinc/17/54/82/182175482.db2.gz NVEVKRSKMCIRIE-MHWRWJLKSA-N 0 0 324.789 3.339 10 30 DGEERN Cc1cccc(C(C)C)c1NC(=O)C(=O)N(CCC#N)C(C)C ZINC000525862878 335021605 /nfs/dbraw/zinc/02/16/05/335021605.db2.gz MFNPGHBSBCVPAP-UHFFFAOYSA-N 0 0 315.417 3.208 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000494244992 246126015 /nfs/dbraw/zinc/12/60/15/246126015.db2.gz NHIZHEVDQUZJJE-UHFFFAOYSA-N 0 0 322.408 3.498 10 30 DGEERN CCOC(=O)[C@@](C)(C#N)c1ccc2c(c1)Cc1cccnc1O2 ZINC000021984140 182301751 /nfs/dbraw/zinc/30/17/51/182301751.db2.gz VNMRZVIXWSAVLP-SFHVURJKSA-N 0 0 308.337 3.122 10 30 DGEERN N#Cc1ccc(NC(=O)Cn2ncc3ccccc32)c(Cl)c1 ZINC000494610945 246171556 /nfs/dbraw/zinc/17/15/56/246171556.db2.gz GINGBNKYSFFCGR-UHFFFAOYSA-N 0 0 310.744 3.200 10 30 DGEERN C[C@@H]1CCCN(c2cc(NCc3ccc(C#N)cc3)ncn2)C1 ZINC000267535428 206129945 /nfs/dbraw/zinc/12/99/45/206129945.db2.gz NCBTXLNRPLSIQI-CQSZACIVSA-N 0 0 307.401 3.197 10 30 DGEERN Cc1nnc([C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)[nH]1 ZINC000181672028 432141495 /nfs/dbraw/zinc/14/14/95/432141495.db2.gz RDTSTLVTHZJBCE-UGSOOPFHSA-N 0 0 317.396 3.425 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Sc1ccccn1 ZINC000267864220 206309069 /nfs/dbraw/zinc/30/90/69/206309069.db2.gz JOVRXIXQEYJVAM-SNVBAGLBSA-N 0 0 304.337 3.139 10 30 DGEERN CC(C)c1nnc2n1C[C@@H](Nc1ccc(Cl)cc1C#N)CC2 ZINC000171563135 432145510 /nfs/dbraw/zinc/14/55/10/432145510.db2.gz UNWLNSPDPYHJRA-ZDUSSCGKSA-N 0 0 315.808 3.353 10 30 DGEERN Cc1cc(Nc2ncc(N)cc2C#N)ccc1Br ZINC000037758961 182923782 /nfs/dbraw/zinc/92/37/82/182923782.db2.gz LOSOSPOVQCNXPG-UHFFFAOYSA-N 0 0 303.163 3.350 10 30 DGEERN CC[C@H](C)N[C@@H](C#N)c1cc2c(c(Br)c1)OCO2 ZINC000038064459 182984876 /nfs/dbraw/zinc/98/48/76/182984876.db2.gz ZIJCIIUWNYLSPY-KWQFWETISA-N 0 0 311.179 3.131 10 30 DGEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@@H](c2ccc(Cl)cc2)O1 ZINC000039127595 183014056 /nfs/dbraw/zinc/01/40/56/183014056.db2.gz JCXANWKZHBEIHA-MRXNPFEDSA-N 0 0 314.772 3.272 10 30 DGEERN C=CCn1c(CCNC(=O)c2cccs2)nc2ccccc21 ZINC000040199128 183045518 /nfs/dbraw/zinc/04/55/18/183045518.db2.gz ISSUOZFXBGFKDQ-UHFFFAOYSA-N 0 0 311.410 3.256 10 30 DGEERN C=CCNC(=O)/C=C/c1ccc(OCCC(C)C)c(OC)c1 ZINC000040942191 183150057 /nfs/dbraw/zinc/15/00/57/183150057.db2.gz ACDADLWTOLXCKC-VQHVLOKHSA-N 0 0 303.402 3.436 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000106650163 194239720 /nfs/dbraw/zinc/23/97/20/194239720.db2.gz DCRYJLUTIZUCAL-HOTGVXAUSA-N 0 0 310.328 3.448 10 30 DGEERN N/C(CCCCOc1ccc(Cl)cc1Br)=N/O ZINC000049580362 183744179 /nfs/dbraw/zinc/74/41/79/183744179.db2.gz MINAZCIBHJRGEW-UHFFFAOYSA-N 0 0 321.602 3.398 10 30 DGEERN C=CCCO[C@@H](C)c1nc(-c2ccc(NC(C)=O)cc2)no1 ZINC000273650246 210948522 /nfs/dbraw/zinc/94/85/22/210948522.db2.gz CMEFDJPSBSTAJI-NSHDSACASA-N 0 0 301.346 3.349 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cnn2c1CCCC2 ZINC000126404956 252635194 /nfs/dbraw/zinc/63/51/94/252635194.db2.gz OFIHNBXAKQUAQM-UHFFFAOYSA-N 0 0 324.384 3.131 10 30 DGEERN CO[C@@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@@H]1C ZINC000336810850 253001862 /nfs/dbraw/zinc/00/18/62/253001862.db2.gz JRVAPMAAWRAYCE-XHDPSFHLSA-N 0 0 323.234 3.178 10 30 DGEERN C#CC[C@@H](NC(=O)NCCCc1ccccn1)c1ccccc1 ZINC000270180319 208242955 /nfs/dbraw/zinc/24/29/55/208242955.db2.gz BLRFMFGZYMULAO-GOSISDBHSA-N 0 0 307.397 3.078 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@@H]2OC)nnc1-c1ccncc1 ZINC000273080599 210459765 /nfs/dbraw/zinc/45/97/65/210459765.db2.gz GTAWSVVCBRDMNV-UONOGXRCSA-N 0 0 316.430 3.186 10 30 DGEERN CC[C@@H](CC#N)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000158649642 197290622 /nfs/dbraw/zinc/29/06/22/197290622.db2.gz XDXXYBIWIWZEBJ-STQMWFEESA-N 0 0 313.323 3.151 10 30 DGEERN COc1cc(C#N)ccc1CNc1ccccc1C(=O)NC(C)C ZINC000157909835 197226744 /nfs/dbraw/zinc/22/67/44/197226744.db2.gz RSUGOOUDARJZLY-UHFFFAOYSA-N 0 0 323.396 3.317 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)C[C@H]1CCCCNC1=O ZINC000329267050 533141949 /nfs/dbraw/zinc/14/19/49/533141949.db2.gz DBDRTODYYGYYPO-NWDGAFQWSA-N 0 0 305.378 3.254 10 30 DGEERN COc1cc2c(c(CN3CCC(C)(C#N)CC3)c1)O[C@H](C)C2 ZINC000356942815 533149662 /nfs/dbraw/zinc/14/96/62/533149662.db2.gz ABXULNRMNQXFDY-CYBMUJFWSA-N 0 0 300.402 3.144 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000155069763 197019205 /nfs/dbraw/zinc/01/92/05/197019205.db2.gz WKBXETBFPWDDQO-QGZVFWFLSA-N 0 0 314.429 3.215 10 30 DGEERN CO[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000181513738 533185044 /nfs/dbraw/zinc/18/50/44/533185044.db2.gz AXEKXJGAMXFRKR-OAHLLOKOSA-N 0 0 300.402 3.033 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000271609470 209054844 /nfs/dbraw/zinc/05/48/44/209054844.db2.gz ZPWBBFRAOHAUDD-WMLDXEAASA-N 0 0 320.433 3.379 10 30 DGEERN N#Cc1ccccc1CN1CC2(C1)C[C@@H](OCC1CC1)CS2 ZINC000247663430 257118665 /nfs/dbraw/zinc/11/86/65/257118665.db2.gz URBHDBPOXITJJY-QGZVFWFLSA-N 0 0 314.454 3.045 10 30 DGEERN C[C@@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O ZINC000504242742 257149531 /nfs/dbraw/zinc/14/95/31/257149531.db2.gz WVAMBAWFDOYFOD-WEBLYMHPSA-N 0 0 302.414 3.058 10 30 DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000124995095 195701173 /nfs/dbraw/zinc/70/11/73/195701173.db2.gz HRSUVNYVGVZSFG-MRXNPFEDSA-N 0 0 306.431 3.043 10 30 DGEERN COc1ccc2c(c1NC(=O)N[C@@H]1C[C@@H]3OCCC[C@H]13)CCC2 ZINC000330140599 533315163 /nfs/dbraw/zinc/31/51/63/533315163.db2.gz XCJBOXCFKPQFNM-FMKPAKJESA-N 0 0 316.401 3.077 10 30 DGEERN CO[C@]1(C)C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1(C)C ZINC000181514249 533372834 /nfs/dbraw/zinc/37/28/34/533372834.db2.gz BWJGXHOUKMVWLC-CRAIPNDOSA-N 0 0 312.413 3.175 10 30 DGEERN COc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1O ZINC000156937656 533413819 /nfs/dbraw/zinc/41/38/19/533413819.db2.gz OTGXGWFMDYICAG-HNNXBMFYSA-N 0 0 310.353 3.176 10 30 DGEERN C=C(C)CCNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000455322924 533486947 /nfs/dbraw/zinc/48/69/47/533486947.db2.gz JYIFQIJWOKKYKX-MRXNPFEDSA-N 0 0 306.381 3.183 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@H](CO)[C@H]2CC)c1 ZINC000454674709 533520121 /nfs/dbraw/zinc/52/01/21/533520121.db2.gz QIHXTHHGFALFDX-RHSMWYFYSA-N 0 0 318.417 3.266 10 30 DGEERN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ccccc2C1=O ZINC000329017471 285618599 /nfs/dbraw/zinc/61/85/99/285618599.db2.gz RDFIYECQCYBRKD-ARFHVFGLSA-N 0 0 301.386 3.346 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H](OCCC)CC2)cc1 ZINC000297459479 400099355 /nfs/dbraw/zinc/09/93/55/400099355.db2.gz CGCGRALKYRCSTI-GOSISDBHSA-N 0 0 314.429 3.159 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600477218 400081942 /nfs/dbraw/zinc/08/19/42/400081942.db2.gz DCGWZMYPISHEKI-OAHLLOKOSA-N 0 0 312.413 3.282 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000581668392 400082407 /nfs/dbraw/zinc/08/24/07/400082407.db2.gz HOUMVXURPHAEJQ-KKUMJFAQSA-N 0 0 309.450 3.415 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1c[nH]c(=O)cc1C ZINC000328629117 400182051 /nfs/dbraw/zinc/18/20/51/400182051.db2.gz OKQJHFFBOVCBLG-NSHDSACASA-N 0 0 317.414 3.285 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccccc1C#N ZINC000066851465 400124232 /nfs/dbraw/zinc/12/42/32/400124232.db2.gz GHTJJZMOKHYZKI-OXQOHEQNSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCCOC1 ZINC000310640237 400133081 /nfs/dbraw/zinc/13/30/81/400133081.db2.gz SUVIWACGSXXDDS-CYBMUJFWSA-N 0 0 313.170 3.441 10 30 DGEERN C[N@H+](CC(=O)NCc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754296 400138519 /nfs/dbraw/zinc/13/85/19/400138519.db2.gz GCODODYMIDFDOL-UHFFFAOYSA-N 0 0 321.424 3.042 10 30 DGEERN CCC(CC)N(C1CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609134317 400141922 /nfs/dbraw/zinc/14/19/22/400141922.db2.gz OQKSLRAGHFVJKF-UHFFFAOYSA-N 0 0 310.394 3.039 10 30 DGEERN Cc1cccc(C2(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 ZINC000609229465 400153014 /nfs/dbraw/zinc/15/30/14/400153014.db2.gz SKIIIIXFHRCZFO-UHFFFAOYSA-N 0 0 308.356 3.354 10 30 DGEERN COc1cccc(C2(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 ZINC000586774763 400153056 /nfs/dbraw/zinc/15/30/56/400153056.db2.gz JRKZCRXXUJYMQN-UHFFFAOYSA-N 0 0 324.355 3.054 10 30 DGEERN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000609239906 400154281 /nfs/dbraw/zinc/15/42/81/400154281.db2.gz FKZTWDXAEINVIP-CZUORRHYSA-N 0 0 303.381 3.465 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000616478290 400155471 /nfs/dbraw/zinc/15/54/71/400155471.db2.gz OCIGCELNNHVMOD-IKGGRYGDSA-N 0 0 320.477 3.132 10 30 DGEERN CCN(CCC(F)(F)F)C(=O)NCc1ccc(C#N)cc1F ZINC000609254527 400155508 /nfs/dbraw/zinc/15/55/08/400155508.db2.gz QUAOOCXRLRLDER-UHFFFAOYSA-N 0 0 317.286 3.181 10 30 DGEERN CC#CC[C@@H](CO)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000616506479 400162827 /nfs/dbraw/zinc/16/28/27/400162827.db2.gz XMHLKDCYWOUCGA-IBGZPJMESA-N 0 0 313.441 3.167 10 30 DGEERN CC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000015801018 400168553 /nfs/dbraw/zinc/16/85/53/400168553.db2.gz GENHUGRKGCOJEN-CYBMUJFWSA-N 0 0 308.337 3.167 10 30 DGEERN N#Cc1ccc(CNC(=O)N2C3CCCC2CCC3)c(F)c1 ZINC000610402238 400255281 /nfs/dbraw/zinc/25/52/81/400255281.db2.gz GAKYJXGVRZTJOI-UHFFFAOYSA-N 0 0 301.365 3.314 10 30 DGEERN C=CCCC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093053668 400223515 /nfs/dbraw/zinc/22/35/15/400223515.db2.gz GMHOADRDPQYSJM-GFCCVEGCSA-N 0 0 314.307 3.046 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1ccc2nc(C)cn2c1 ZINC000588859281 400235949 /nfs/dbraw/zinc/23/59/49/400235949.db2.gz KWAFWTQOXOHJAM-UHFFFAOYSA-N 0 0 307.353 3.460 10 30 DGEERN C=CCC1(c2nc([C@H](C)C(=O)OC(C)(C)C)no2)CCOCC1 ZINC000351288471 400245054 /nfs/dbraw/zinc/24/50/54/400245054.db2.gz INNKTFCWDUHWIN-LBPRGKRZSA-N 0 0 322.405 3.139 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)n1 ZINC000610350104 400247346 /nfs/dbraw/zinc/24/73/46/400247346.db2.gz RDBYNNLBWSBSFG-VXGBXAGGSA-N 0 0 314.414 3.445 10 30 DGEERN COC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610355759 400248220 /nfs/dbraw/zinc/24/82/20/400248220.db2.gz YQDRVLAQEHDEGX-KSSFIOAISA-N 0 0 323.396 3.306 10 30 DGEERN COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000026126372 400250418 /nfs/dbraw/zinc/25/04/18/400250418.db2.gz BGCXIJSLIBSFFA-ZIAGYGMSSA-N 0 0 324.380 3.212 10 30 DGEERN C[C@@H](NC(=O)c1coc(Br)c1)c1ccc(C#N)cc1 ZINC000026133472 400252239 /nfs/dbraw/zinc/25/22/39/400252239.db2.gz JMPPBZSRYXPXSO-SECBINFHSA-N 0 0 319.158 3.405 10 30 DGEERN COc1cc(CN(C)C(=O)CCCCCC#N)cc(OC)c1 ZINC000588154111 400191996 /nfs/dbraw/zinc/19/19/96/400191996.db2.gz YMLYJMDJGGLQIX-UHFFFAOYSA-N 0 0 304.390 3.136 10 30 DGEERN CCOC(=O)[C@@]1(NCc2ccc(C#N)cc2)CCc2ccccc21 ZINC000609846673 400195817 /nfs/dbraw/zinc/19/58/17/400195817.db2.gz VFEMLKOPTHZVLF-HXUWFJFHSA-N 0 0 320.392 3.053 10 30 DGEERN COc1ccc(COCCC(=O)N[C@@](C)(C#N)CC(C)C)cc1 ZINC000609874819 400197409 /nfs/dbraw/zinc/19/74/09/400197409.db2.gz HCXQCOIHWQNIDD-GOSISDBHSA-N 0 0 318.417 3.046 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(NC(=O)COC)cc2)no1 ZINC000349947051 400205226 /nfs/dbraw/zinc/20/52/26/400205226.db2.gz KISHYTHKNTVCEZ-GFCCVEGCSA-N 0 0 315.373 3.391 10 30 DGEERN Cc1cc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)nn1C ZINC000092826162 400207031 /nfs/dbraw/zinc/20/70/31/400207031.db2.gz ZAEGJTXWYARPSX-UHFFFAOYSA-N 0 0 316.368 3.453 10 30 DGEERN CCc1nn(C)c(OC)c1CNc1cc(C#N)nc2ccccc21 ZINC000092962217 400216374 /nfs/dbraw/zinc/21/63/74/400216374.db2.gz PPYOICNTFDARQD-UHFFFAOYSA-N 0 0 321.384 3.023 10 30 DGEERN Cc1cccc2c1ncc(C#N)c2NC[C@@H](C)c1ccncc1 ZINC000610516975 400269140 /nfs/dbraw/zinc/26/91/40/400269140.db2.gz NRUACYMHJSDDMO-CQSZACIVSA-N 0 0 302.381 3.447 10 30 DGEERN Cn1ccnc1C[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000610541754 400272724 /nfs/dbraw/zinc/27/27/24/400272724.db2.gz NRBRGJBFXMCZKH-QGZVFWFLSA-N 0 0 303.369 3.083 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc(C#N)nc2)CC1 ZINC000610541630 400272920 /nfs/dbraw/zinc/27/29/20/400272920.db2.gz WKYDMPBZEJNSGU-OAHLLOKOSA-N 0 0 318.424 3.373 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000601277278 400281872 /nfs/dbraw/zinc/28/18/72/400281872.db2.gz UFWGCUNBKJYLAN-OXIWPEFWSA-N 0 0 306.768 3.391 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000617034514 400286816 /nfs/dbraw/zinc/28/68/16/400286816.db2.gz AFIZYCUPXABBFT-AEFFLSMTSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1nc(C(C)C)no1 ZINC000617037413 400287691 /nfs/dbraw/zinc/28/76/91/400287691.db2.gz MRLFVTHFOPNGPS-UONOGXRCSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617036427 400287822 /nfs/dbraw/zinc/28/78/22/400287822.db2.gz ATCKEBWOXNDSDT-WMLDXEAASA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000617036861 400288103 /nfs/dbraw/zinc/28/81/03/400288103.db2.gz GBORJNNIAFELNU-CZUORRHYSA-N 0 0 312.413 3.436 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(N)=O)cc1 ZINC000617036689 400288234 /nfs/dbraw/zinc/28/82/34/400288234.db2.gz DAWYMADAVXUNQA-SWLSCSKDSA-N 0 0 301.390 3.042 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1OC ZINC000617039525 400288957 /nfs/dbraw/zinc/28/89/57/400288957.db2.gz IPSYXRVLVPNFGD-LSDHHAIUSA-N 0 0 302.418 3.358 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2c(c1)c(C)nn2C ZINC000617038338 400289139 /nfs/dbraw/zinc/28/91/39/400289139.db2.gz WGCYEMSVVZQJLG-CJNGLKHVSA-N 0 0 312.417 3.141 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCC(=O)N(CC)CC ZINC000617040544 400289794 /nfs/dbraw/zinc/28/97/94/400289794.db2.gz VVTUQXQLJAAGCE-HZPDHXFCSA-N 0 0 308.466 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000617040399 400290055 /nfs/dbraw/zinc/29/00/55/400290055.db2.gz TZQGICDFXRCYML-WQVCFCJDSA-N 0 0 303.450 3.392 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000617041278 400290222 /nfs/dbraw/zinc/29/02/22/400290222.db2.gz BOJNZKYYQZVFMI-FMKPAKJESA-N 0 0 300.402 3.257 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1NC(C)=O ZINC000617041266 400290273 /nfs/dbraw/zinc/29/02/73/400290273.db2.gz BJEVLXQUWHQNHZ-DOTOQJQBSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(CC(F)F)CC1 ZINC000617042511 400291469 /nfs/dbraw/zinc/29/14/69/400291469.db2.gz SGOYNSGQMONNRU-DZGCQCFKSA-N 0 0 314.420 3.215 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccncc2)c1 ZINC000617043992 400292150 /nfs/dbraw/zinc/29/21/50/400292150.db2.gz HMCMVMYIJAWFLD-WMLDXEAASA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](O)Cc1ccccc1 ZINC000617044610 400292235 /nfs/dbraw/zinc/29/22/35/400292235.db2.gz PXLCQECDQCNUED-KZNAEPCWSA-N 0 0 301.430 3.231 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000617044042 400292298 /nfs/dbraw/zinc/29/22/98/400292298.db2.gz IBEXTDRIDNADAZ-BFYDXBDKSA-N 0 0 301.434 3.005 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000069320912 400323861 /nfs/dbraw/zinc/32/38/61/400323861.db2.gz LOPUUBJQDDIMRB-ZDUSSCGKSA-N 0 0 304.390 3.201 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC#N)cc1 ZINC000029061223 400296590 /nfs/dbraw/zinc/29/65/90/400296590.db2.gz CEHPCLWBFWYFCK-CYBMUJFWSA-N 0 0 305.337 3.030 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)c1ccccc1CC#N ZINC000601498200 400304193 /nfs/dbraw/zinc/30/41/93/400304193.db2.gz SZPKJVWLAPCQSF-UHFFFAOYSA-N 0 0 306.431 3.023 10 30 DGEERN C=CC[C@H](CC)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601546586 400307133 /nfs/dbraw/zinc/30/71/33/400307133.db2.gz NSCJDEVDSLOIFI-AWEZNQCLSA-N 0 0 302.374 3.487 10 30 DGEERN C=CCOc1cccnc1C(=O)Nc1cncc2c1CCCC2 ZINC000617101106 400309890 /nfs/dbraw/zinc/30/98/90/400309890.db2.gz SDPWNWJIGXLCEI-UHFFFAOYSA-N 0 0 309.369 3.173 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000521640697 400310738 /nfs/dbraw/zinc/31/07/38/400310738.db2.gz HAHFJDNFUUKFGX-CQSZACIVSA-N 0 0 318.417 3.195 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610849885 400313530 /nfs/dbraw/zinc/31/35/30/400313530.db2.gz BKBMDUGVUDFFDS-ZFWWWQNUSA-N 0 0 318.417 3.191 10 30 DGEERN CC[C@H]1C(=O)C(c2nc3ccccc3[nH]2)=C(N)N1c1ccccc1 ZINC000106449542 400326031 /nfs/dbraw/zinc/32/60/31/400326031.db2.gz HWCYRUXXIRCKJW-HNNXBMFYSA-N 0 0 318.380 3.058 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCCN2C(C)=O)CCCC1 ZINC000617416161 400384073 /nfs/dbraw/zinc/38/40/73/400384073.db2.gz CXHUXTAKNRJJTJ-INIZCTEOSA-N 0 0 306.450 3.030 10 30 DGEERN Cc1cc(CN(C)c2c(C#N)cnc3c(F)ccc(F)c32)no1 ZINC000611370211 400385283 /nfs/dbraw/zinc/38/52/83/400385283.db2.gz DXHCDPMHAVRNGD-UHFFFAOYSA-N 0 0 314.295 3.318 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](CC)N2CCCC2=O)CCCC1 ZINC000617417108 400385372 /nfs/dbraw/zinc/38/53/72/400385372.db2.gz LYFBECFMDOYEPS-OAHLLOKOSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCCC1(CNC(=O)CNC(=O)c2ccsc2)CCCC1 ZINC000617417204 400385467 /nfs/dbraw/zinc/38/54/67/400385467.db2.gz PMSCURLUAIUFBS-UHFFFAOYSA-N 0 0 320.458 3.121 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)CCCC1 ZINC000617417203 400385593 /nfs/dbraw/zinc/38/55/93/400385593.db2.gz PLXLAJUFLLVSPN-CQSZACIVSA-N 0 0 301.434 3.157 10 30 DGEERN C=CCCC1(CNC(=O)Cc2cn3c(n2)CCCC3)CCCC1 ZINC000617418110 400385651 /nfs/dbraw/zinc/38/56/51/400385651.db2.gz SDTYYAUZFHQBGP-UHFFFAOYSA-N 0 0 315.461 3.405 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)c(Cl)c1 ZINC000107461734 400336229 /nfs/dbraw/zinc/33/62/29/400336229.db2.gz SQZHMGMNLRACKY-VIFPVBQESA-N 0 0 303.724 3.237 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1Oc1ccccc1 ZINC000579583177 400341038 /nfs/dbraw/zinc/34/10/38/400341038.db2.gz HNULWCHMFMWQBO-HOCLYGCPSA-N 0 0 324.380 3.195 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000579703849 400341987 /nfs/dbraw/zinc/34/19/87/400341987.db2.gz XBNXIUGDJYEYER-WHOFXGATSA-N 0 0 308.447 3.316 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601745479 400343467 /nfs/dbraw/zinc/34/34/67/400343467.db2.gz WYUYRUSUNAJTDT-UHFFFAOYSA-N 0 0 320.389 3.255 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000579949028 400343950 /nfs/dbraw/zinc/34/39/50/400343950.db2.gz OUOCADRCCBJAMF-CQSZACIVSA-N 0 0 306.406 3.011 10 30 DGEERN C=CCCCCCNC(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000580723287 400345812 /nfs/dbraw/zinc/34/58/12/400345812.db2.gz VJUAGASQCIDEJB-UHFFFAOYSA-N 0 0 301.312 3.280 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OC ZINC000601770798 400346441 /nfs/dbraw/zinc/34/64/41/400346441.db2.gz FLSAYPFPUFZMFY-NSHDSACASA-N 0 0 316.184 3.231 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1oc2c(cccc2F)c1C)C(=O)OC ZINC000601772746 400347638 /nfs/dbraw/zinc/34/76/38/400347638.db2.gz QJMULYGYXPYZTB-CYBMUJFWSA-N 0 0 319.332 3.118 10 30 DGEERN C=C(C)C[C@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)OC ZINC000601781517 400348400 /nfs/dbraw/zinc/34/84/00/400348400.db2.gz IOZDIGMIEFKUGR-HOCLYGCPSA-N 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CS[C@H](CNC(=O)NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000612173516 400504219 /nfs/dbraw/zinc/50/42/19/400504219.db2.gz ZIVBBAGBIBERRX-CQSZACIVSA-N 0 0 323.437 3.274 10 30 DGEERN Cc1cccc2c1CCN2C(=O)[C@H](C)Oc1ccccc1C#N ZINC000125964175 400487351 /nfs/dbraw/zinc/48/73/51/400487351.db2.gz SAIPYGJCFZPTFB-AWEZNQCLSA-N 0 0 306.365 3.223 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612101850 400492450 /nfs/dbraw/zinc/49/24/50/400492450.db2.gz TVZVGUMRXUQYFE-INIZCTEOSA-N 0 0 321.808 3.184 10 30 DGEERN C=CCOc1ccc([C@H]2NC(=O)c3cccc(OC)c3O2)cc1 ZINC000612275009 400515938 /nfs/dbraw/zinc/51/59/38/400515938.db2.gz AEUTXZXWXUQZEM-SFHVURJKSA-N 0 0 311.337 3.081 10 30 DGEERN C=CCC[C@H](C(=O)NCCO[C@H]1CC1(F)F)c1ccccc1 ZINC000618132861 400531777 /nfs/dbraw/zinc/53/17/77/400531777.db2.gz JWAFCKSDYWCXTM-GJZGRUSLSA-N 0 0 309.356 3.277 10 30 DGEERN Cc1cc(C)c2cc(C(=O)Nc3cc(C#N)ccn3)sc2n1 ZINC000618137734 400532282 /nfs/dbraw/zinc/53/22/82/400532282.db2.gz SDLNNXVAJJSNHX-UHFFFAOYSA-N 0 0 308.366 3.432 10 30 DGEERN C=C(C)C[C@H](NCc1ccc(OC(F)F)c(F)c1)C(=O)OC ZINC000602732957 400556812 /nfs/dbraw/zinc/55/68/12/400556812.db2.gz FIADNEPGBBEXNT-LBPRGKRZSA-N 0 0 317.307 3.025 10 30 DGEERN C=C(C)C[C@H](NCc1cscc1C(F)(F)F)C(=O)OC ZINC000602734666 400557188 /nfs/dbraw/zinc/55/71/88/400557188.db2.gz QTPHHILJMBCANV-NSHDSACASA-N 0 0 307.337 3.364 10 30 DGEERN C=C(C)C[C@@H](NCc1cnc(C2CCCC2)s1)C(=O)OC ZINC000602732997 400557420 /nfs/dbraw/zinc/55/74/20/400557420.db2.gz GFJXUJCVIBJSAR-CQSZACIVSA-N 0 0 308.447 3.398 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000618273631 400557412 /nfs/dbraw/zinc/55/74/12/400557412.db2.gz FKMVIBPWMTZZCR-VIKVFOODSA-N 0 0 305.443 3.054 10 30 DGEERN C=C(C)C[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC000602735283 400558179 /nfs/dbraw/zinc/55/81/79/400558179.db2.gz UDJXZDSLRLEYIM-VDSRIPIWSA-N 0 0 309.356 3.308 10 30 DGEERN C=C(C)C[C@@H](NCc1cnc(-c2cccs2)s1)C(=O)OC ZINC000602735438 400558417 /nfs/dbraw/zinc/55/84/17/400558417.db2.gz 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/nfs/dbraw/zinc/60/02/61/400600261.db2.gz SIUZMYCCSUAOSQ-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@H]3CC[C@@]21C ZINC000138856338 400601220 /nfs/dbraw/zinc/60/12/20/400601220.db2.gz HISGUXKZCVMWRG-NPBKEMFKSA-N 0 0 318.457 3.240 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C(F)(F)F)ccc1NC ZINC000618515408 400608158 /nfs/dbraw/zinc/60/81/58/400608158.db2.gz BUCHKQWVHCZJSY-UHFFFAOYSA-N 0 0 316.323 3.070 10 30 DGEERN C=CCOCCCNC(=O)COc1cc(Cl)ccc1Cl ZINC000618514409 400608283 /nfs/dbraw/zinc/60/82/83/400608283.db2.gz LIXYIYGPQTWTHI-UHFFFAOYSA-N 0 0 318.200 3.081 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000618516660 400609382 /nfs/dbraw/zinc/60/93/82/400609382.db2.gz RWDJSZVHLOKVQE-UHFFFAOYSA-N 0 0 311.809 3.450 10 30 DGEERN C=CCOCCCNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000618520651 400610345 /nfs/dbraw/zinc/61/03/45/400610345.db2.gz HVZDGSOKAHRGTL-UHFFFAOYSA-N 0 0 306.793 3.004 10 30 DGEERN C=CCOCCCNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000618521160 400610740 /nfs/dbraw/zinc/61/07/40/400610740.db2.gz PJUWSHWYWGNMDU-UHFFFAOYSA-N 0 0 310.756 3.283 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(-c2cscn2)c1 ZINC000618523910 400610958 /nfs/dbraw/zinc/61/09/58/400610958.db2.gz VMGHAHROHGIPDM-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(C)c(Br)c1 ZINC000618523731 400611017 /nfs/dbraw/zinc/61/10/17/400611017.db2.gz NXKGWJZRZWRQGE-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=CCOCCCNC(=O)CCc1c[nH]c2c1cccc2C ZINC000618524035 400611098 /nfs/dbraw/zinc/61/10/98/400611098.db2.gz ZZGZCJMOHOYAMC-UHFFFAOYSA-N 0 0 300.402 3.118 10 30 DGEERN C=CCOCCCNC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000618526894 400611858 /nfs/dbraw/zinc/61/18/58/400611858.db2.gz UBAJILKCXHFREL-UHFFFAOYSA-N 0 0 307.821 3.372 10 30 DGEERN C=CCOCCCNC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000618525707 400611870 /nfs/dbraw/zinc/61/18/70/400611870.db2.gz HCBZYMCWNZBTPK-UHFFFAOYSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCOCCCNC(=O)c1c(C)[nH]c2ccc(Cl)cc21 ZINC000618526907 400611891 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C=CC[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC000624169776 401634579 /nfs/dbraw/zinc/63/45/79/401634579.db2.gz WZJUBYFTHPEXHH-RRQGHBQHSA-N 0 0 300.402 3.159 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000632880755 401634818 /nfs/dbraw/zinc/63/48/18/401634818.db2.gz LVWCQFOMSHIDLD-OAHLLOKOSA-N 0 0 313.445 3.282 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)C1 ZINC000632944042 401640752 /nfs/dbraw/zinc/64/07/52/401640752.db2.gz DWXSNLBAPCYLGA-ZDUSSCGKSA-N 0 0 321.442 3.014 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@H](OCC)c2ccccc2)C1 ZINC000623951147 401604097 /nfs/dbraw/zinc/60/40/97/401604097.db2.gz ATPCEBFCYZSVKL-RDJZCZTQSA-N 0 0 302.418 3.372 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000628484738 401606162 /nfs/dbraw/zinc/60/61/62/401606162.db2.gz UECSZVUUVISSJL-KRWDZBQOSA-N 0 0 323.440 3.456 10 30 DGEERN C=CCC1(NS(=O)(=O)C[C@H]2CCC2(F)F)CCCCC1 ZINC000632416798 401606163 /nfs/dbraw/zinc/60/61/63/401606163.db2.gz 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C=CC[C@H]1CCN(C(=O)c2cc(C)n([C@H]3CCCOC3)c2C)C1 ZINC000628494786 401608253 /nfs/dbraw/zinc/60/82/53/401608253.db2.gz YXPLLKQBXJAZTN-IRXDYDNUSA-N 0 0 316.445 3.495 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000623991709 401610087 /nfs/dbraw/zinc/61/00/87/401610087.db2.gz OWZGHEUBODZUIS-QWHCGFSZSA-N 0 0 306.406 3.419 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000632572389 401615504 /nfs/dbraw/zinc/61/55/04/401615504.db2.gz VMRILIOIJCTBKX-MCIONIFRSA-N 0 0 319.417 3.325 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)C1 ZINC000632746732 401622692 /nfs/dbraw/zinc/62/26/92/401622692.db2.gz MLAYUAPFXJEGJK-UHFFFAOYSA-N 0 0 322.412 3.110 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000624314960 401649753 /nfs/dbraw/zinc/64/97/53/401649753.db2.gz SJEPENNFNMBTOU-NWDGAFQWSA-N 0 0 322.371 3.388 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2c3ccccc3C(=O)N2C)CCCC1 ZINC000628954374 401649451 /nfs/dbraw/zinc/64/94/51/401649451.db2.gz 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ZINC000330203781 287018660 /nfs/dbraw/zinc/01/86/60/287018660.db2.gz BBUQLTXVCZAFGQ-DOMZBBRYSA-N 0 0 303.406 3.028 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171613390 164633687 /nfs/dbraw/zinc/63/36/87/164633687.db2.gz FVTIGOCWZTVAHX-UHFFFAOYSA-N 0 0 305.381 3.048 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000178551699 164841260 /nfs/dbraw/zinc/84/12/60/164841260.db2.gz BTXPRGCPCRUOLS-UHFFFAOYSA-N 0 0 323.400 3.012 10 30 DGEERN Cc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1C#N)OCO2 ZINC000181333145 164909884 /nfs/dbraw/zinc/90/98/84/164909884.db2.gz RECMZFFBBWAJQZ-GFCCVEGCSA-N 0 0 324.336 3.001 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccccc2Cl)cn1 ZINC000183645987 164957112 /nfs/dbraw/zinc/95/71/12/164957112.db2.gz SYPDIUWPFRIUBU-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN Cc1ccccc1C[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186014382 165025345 /nfs/dbraw/zinc/02/53/45/165025345.db2.gz KJVFYPBJQBNYLN-HNNXBMFYSA-N 0 0 317.396 3.491 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C#N)cc1 ZINC000186016249 165025401 /nfs/dbraw/zinc/02/54/01/165025401.db2.gz MRJGWBXJSNLFKD-CYBMUJFWSA-N 0 0 314.352 3.184 10 30 DGEERN COc1ccccc1[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186021912 165025639 /nfs/dbraw/zinc/02/56/39/165025639.db2.gz XEAXIWLOSZAFEX-ZDUSSCGKSA-N 0 0 319.368 3.321 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)c2sccc2C#N)cs1 ZINC000187135412 165079114 /nfs/dbraw/zinc/07/91/14/165079114.db2.gz DPVGZZKEKJNYPO-GFCCVEGCSA-N 0 0 303.412 3.362 10 30 DGEERN CO[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000187612102 165097379 /nfs/dbraw/zinc/09/73/79/165097379.db2.gz GKJXYZKTJMUVBK-GOSISDBHSA-N 0 0 320.392 3.094 10 30 DGEERN CC(C)CCn1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000188639826 165130800 /nfs/dbraw/zinc/13/08/00/165130800.db2.gz FFWSUSUJTIKBLO-UHFFFAOYSA-N 0 0 322.412 3.471 10 30 DGEERN C[C@@H](Cc1ccccc1F)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188720616 165134598 /nfs/dbraw/zinc/13/45/98/165134598.db2.gz JKEGPLMIYKGQBW-AWEZNQCLSA-N 0 0 322.383 3.476 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189508889 165163865 /nfs/dbraw/zinc/16/38/65/165163865.db2.gz DEMDBKCIDHQLCG-UHFFFAOYSA-N 0 0 301.349 3.409 10 30 DGEERN COCCNc1ccccc1NC(=O)c1ccc(C#N)cc1C ZINC000191192858 165236141 /nfs/dbraw/zinc/23/61/41/165236141.db2.gz VEXDUUPZMQNNJP-UHFFFAOYSA-N 0 0 309.369 3.177 10 30 DGEERN N#Cc1ccc(Cn2c(=O)oc3cc(Cl)ccc32)cc1F ZINC000191735344 165266777 /nfs/dbraw/zinc/26/67/77/165266777.db2.gz PKBVWTPQQDYKQC-UHFFFAOYSA-N 0 0 302.692 3.307 10 30 DGEERN CCc1nc(C2(NCc3ccc(C#N)c(F)c3)CCCC2)no1 ZINC000192047469 165280843 /nfs/dbraw/zinc/28/08/43/165280843.db2.gz JWVURSUGRBBWLO-UHFFFAOYSA-N 0 0 314.364 3.202 10 30 DGEERN CC(C)(C)c1nc2cc(NC(=O)c3ccnc(C#N)c3)ccc2[nH]1 ZINC000192453731 165292470 /nfs/dbraw/zinc/29/24/70/165292470.db2.gz COHSWSSXBHEQCQ-UHFFFAOYSA-N 0 0 319.368 3.379 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000192544932 165296790 /nfs/dbraw/zinc/29/67/90/165296790.db2.gz VBWQUNRUVPMTPZ-JTQLQIEISA-N 0 0 317.295 3.046 10 30 DGEERN CCOC(=O)[C@@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000192945426 165311788 /nfs/dbraw/zinc/31/17/88/165311788.db2.gz SMVAOZBDLYQIJF-HNNXBMFYSA-N 0 0 318.760 3.199 10 30 DGEERN COc1cc(CNc2cnn(-c3ncccc3C#N)c2)ccc1C ZINC000194417544 165344554 /nfs/dbraw/zinc/34/45/54/165344554.db2.gz LHNXEJYOFISLPO-UHFFFAOYSA-N 0 0 319.368 3.068 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246195654 165507170 /nfs/dbraw/zinc/50/71/70/165507170.db2.gz MWLFZXBWNGWTRQ-CTASWTNQSA-N 0 0 300.402 3.266 10 30 DGEERN N#Cc1cccc(OCCN2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171620711 432152119 /nfs/dbraw/zinc/15/21/19/432152119.db2.gz SGGLKECPCXPFOL-UHFFFAOYSA-N 0 0 317.392 3.477 10 30 DGEERN CS(=O)(=O)c1cc(NCC#Cc2ccccc2)ccc1Cl ZINC000190406504 432154059 /nfs/dbraw/zinc/15/40/59/432154059.db2.gz BQXAVSHLOUZENX-UHFFFAOYSA-N 0 0 319.813 3.207 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000269352199 432165198 /nfs/dbraw/zinc/16/51/98/432165198.db2.gz GROKCVNSDWRAGO-HNNXBMFYSA-N 0 0 309.475 3.316 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1O ZINC000190507868 432165956 /nfs/dbraw/zinc/16/59/56/432165956.db2.gz KZFBZKGKNQTTMK-GOSISDBHSA-N 0 0 318.332 3.376 10 30 DGEERN N#Cc1ccc(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000171831844 432177166 /nfs/dbraw/zinc/17/71/66/432177166.db2.gz JEWSSIIXSKLOQC-ROUUACIJSA-N 0 0 305.381 3.161 10 30 DGEERN C=CCOc1ccccc1CNC(=O)Nc1ccnn1CCC ZINC000171814351 432175682 /nfs/dbraw/zinc/17/56/82/432175682.db2.gz JJWHCEVMSVBYHX-UHFFFAOYSA-N 0 0 314.389 3.180 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000150798560 432192849 /nfs/dbraw/zinc/19/28/49/432192849.db2.gz DTVOTSVOFBMXJO-RBSFLKMASA-N 0 0 300.402 3.363 10 30 DGEERN Cc1ccccc1SCC(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000150798772 432193546 /nfs/dbraw/zinc/19/35/46/432193546.db2.gz FTVMTWQNHPDJKM-UHFFFAOYSA-N 0 0 307.378 3.469 10 30 DGEERN C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C1CCCC1 ZINC000172096608 432195689 /nfs/dbraw/zinc/19/56/89/432195689.db2.gz MSMLAOJZGDOEEI-CYBMUJFWSA-N 0 0 302.443 3.486 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000191130938 432225509 /nfs/dbraw/zinc/22/55/09/432225509.db2.gz RPRUCVYIUTUJAL-APWZRJJASA-N 0 0 317.429 3.127 10 30 DGEERN N#Cc1cc(F)c(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000151174423 432226883 /nfs/dbraw/zinc/22/68/83/432226883.db2.gz DTPMESIQJPVGPP-KGLIPLIRSA-N 0 0 312.319 3.370 10 30 DGEERN Clc1ccc(C#CCN2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000182725204 432221922 /nfs/dbraw/zinc/22/19/22/432221922.db2.gz UVNULTXKAKEBPJ-HNNXBMFYSA-N 0 0 300.793 3.037 10 30 DGEERN N#Cc1cccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000133804464 196337567 /nfs/dbraw/zinc/33/75/67/196337567.db2.gz YXHZXWAFNSXSFH-HNNXBMFYSA-N 0 0 313.382 3.225 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000137022677 196560931 /nfs/dbraw/zinc/56/09/31/196560931.db2.gz GDKRXQPBEAWWLK-ZIAGYGMSSA-N 0 0 324.380 3.251 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)N(CCC#N)CC1CC1 ZINC000156468497 227125354 /nfs/dbraw/zinc/12/53/54/227125354.db2.gz BNVVMPIQGNYHDP-GFCCVEGCSA-N 0 0 301.394 3.012 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1-n1cccn1 ZINC000161412873 228252627 /nfs/dbraw/zinc/25/26/27/228252627.db2.gz PITPKNIJSIUAKN-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN C[C@@H]1CC[C@H](NS(=O)(=O)CCCCC#N)c2ccccc21 ZINC000162334775 228257367 /nfs/dbraw/zinc/25/73/67/228257367.db2.gz MBHQHKQYAVTQHS-CJNGLKHVSA-N 0 0 306.431 3.238 10 30 DGEERN Cc1cccc(OC[C@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000162592438 228258632 /nfs/dbraw/zinc/25/86/32/228258632.db2.gz CTJRMTNERBBXJM-HNNXBMFYSA-N 0 0 308.381 3.372 10 30 DGEERN C[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(C(C)(C)C)cc1 ZINC000164756439 228265456 /nfs/dbraw/zinc/26/54/56/228265456.db2.gz CJZORIUZQULSPL-CYBMUJFWSA-N 0 0 320.458 3.268 10 30 DGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(F)cc1 ZINC000171349409 228270934 /nfs/dbraw/zinc/27/09/34/228270934.db2.gz ZYCLNOVWNHKKBN-AATRIKPKSA-N 0 0 318.373 3.015 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCOC1 ZINC000171740816 228273336 /nfs/dbraw/zinc/27/33/36/228273336.db2.gz HQPBJQYOQZXSPG-OLZOCXBDSA-N 0 0 319.430 3.239 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000178553709 228343217 /nfs/dbraw/zinc/34/32/17/228343217.db2.gz XDSIXOOXPKUYRQ-UHFFFAOYSA-N 0 0 316.307 3.398 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccnn1-c1ccccc1 ZINC000178737062 228345948 /nfs/dbraw/zinc/34/59/48/228345948.db2.gz IUFGTHUZWPFCLP-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN N#C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000179556597 228352806 /nfs/dbraw/zinc/35/28/06/228352806.db2.gz RAEOQCWDJOCYDJ-CQSZACIVSA-N 0 0 301.777 3.495 10 30 DGEERN N#CCc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000181644712 228363654 /nfs/dbraw/zinc/36/36/54/228363654.db2.gz AGBOCESLBUFWGL-UHFFFAOYSA-N 0 0 322.290 3.154 10 30 DGEERN Cc1nc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)s1 ZINC000182130036 228365923 /nfs/dbraw/zinc/36/59/23/228365923.db2.gz FKSMDGOYHYAWIM-VIFPVBQESA-N 0 0 301.371 3.303 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000187033609 228420357 /nfs/dbraw/zinc/42/03/57/228420357.db2.gz VNXQUQASXVURMJ-UHFFFAOYSA-N 0 0 308.356 3.088 10 30 DGEERN N#C[C@@H](NC(=O)c1csc(C(F)(F)F)n1)C1CCCCC1 ZINC000189213952 228479004 /nfs/dbraw/zinc/47/90/04/228479004.db2.gz HFGOIXPEWOCGBN-SECBINFHSA-N 0 0 317.336 3.364 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N[C@@](C)(C#N)CCc2ccccc2)C[C@H](C)O1 ZINC000246101400 228621977 /nfs/dbraw/zinc/62/19/77/228621977.db2.gz JGVFYHAVTAIOLS-LORHWOILSA-N 0 0 314.429 3.221 10 30 DGEERN C[C@H](C#N)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000299229111 228890225 /nfs/dbraw/zinc/89/02/25/228890225.db2.gz CYSFPKHRVZGVPZ-ZJUUUORDSA-N 0 0 315.200 3.379 10 30 DGEERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000328838660 228915950 /nfs/dbraw/zinc/91/59/50/228915950.db2.gz YHTDDFHDZUBCSE-NUEKZKHPSA-N 0 0 322.449 3.082 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329796140 228961061 /nfs/dbraw/zinc/96/10/61/228961061.db2.gz GUUSOEJAYSDXST-FATJJJSSSA-N 0 0 305.422 3.389 10 30 DGEERN C[C@@H]1CC(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C[C@@H](C)O1 ZINC000329803244 228961253 /nfs/dbraw/zinc/96/12/53/228961253.db2.gz LAOSWCXZMHHVSY-XJKCOSOUSA-N 0 0 320.437 3.054 10 30 DGEERN C[C@H](NC(=O)[C@@H]1CCOc2ccc(Cl)cc21)c1nc[nH]n1 ZINC000329493919 228945944 /nfs/dbraw/zinc/94/59/44/228945944.db2.gz FDCPEPMKIKREQR-WCBMZHEXSA-N 0 0 306.753 3.042 10 30 DGEERN Cc1[nH]n(C)c2nnc(NC(=O)C[C@H]3CCc4ccccc4C3)c1-2 ZINC000329718460 228957897 /nfs/dbraw/zinc/95/78/97/228957897.db2.gz YVHZIDNSPMQNKF-LBPRGKRZSA-N 0 0 323.400 3.388 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000330205525 228981964 /nfs/dbraw/zinc/98/19/64/228981964.db2.gz DNJAQQALCRNNMI-XLNGHYISSA-N 0 0 302.418 3.394 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333651233 229039202 /nfs/dbraw/zinc/03/92/02/229039202.db2.gz UVXFCQDDZJDBGT-JQAFLVLXSA-N 0 0 319.355 3.334 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000334129403 229040835 /nfs/dbraw/zinc/04/08/35/229040835.db2.gz SFEJVMLVIOZFTR-BDXSIMOUSA-N 0 0 312.413 3.271 10 30 DGEERN Cc1ccc(F)c(N2CCC[C@H](Nc3cccc(C#N)n3)C2)c1 ZINC000301287866 229607031 /nfs/dbraw/zinc/60/70/31/229607031.db2.gz RPIFCMMYJGYERW-HNNXBMFYSA-N 0 0 310.376 3.482 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000408342775 229623100 /nfs/dbraw/zinc/62/31/00/229623100.db2.gz ZQDWDPGAXBGFBE-QJPTWQEYSA-N 0 0 303.328 3.099 10 30 DGEERN Cc1ccc(NC[C@H](O)c2cccc(OC(C)C)c2)nc1C#N ZINC000302675355 230344906 /nfs/dbraw/zinc/34/49/06/230344906.db2.gz UBTJLSZHNPUVHT-KRWDZBQOSA-N 0 0 311.385 3.194 10 30 DGEERN CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1 ZINC000012727685 262502515 /nfs/dbraw/zinc/50/25/15/262502515.db2.gz ABYYMJRWMWVUQX-DONCZSHCSA-N 0 0 308.410 3.414 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000194237430 263808794 /nfs/dbraw/zinc/80/87/94/263808794.db2.gz BWSWEPQYIHBWEN-OAHLLOKOSA-N 0 0 322.412 3.124 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCCc2cnc(C3CC3)nc2)c1 ZINC000347408229 264215906 /nfs/dbraw/zinc/21/59/06/264215906.db2.gz MFXVQFFYWHXXFI-UHFFFAOYSA-N 0 0 306.369 3.083 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)nc1 ZINC000107435790 270003545 /nfs/dbraw/zinc/00/35/45/270003545.db2.gz KJYKJBQLRHLBOK-INIZCTEOSA-N 0 0 311.772 3.488 10 30 DGEERN CCCCN(C)c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000357403485 266029846 /nfs/dbraw/zinc/02/98/46/266029846.db2.gz BLIGKBLHZIJUAP-UHFFFAOYSA-N 0 0 308.385 3.442 10 30 DGEERN CCN(CCCNC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000531147538 267064363 /nfs/dbraw/zinc/06/43/63/267064363.db2.gz XIVGJBCXGFLADL-UHFFFAOYSA-N 0 0 321.424 3.134 10 30 DGEERN CCOc1ccc([C@H]2CCCN2c2nc(C)cc(C#N)n2)cc1 ZINC000518809251 267171560 /nfs/dbraw/zinc/17/15/60/267171560.db2.gz LCSGGHWDKYUYNY-QGZVFWFLSA-N 0 0 308.385 3.397 10 30 DGEERN CCSc1ccc([C@@H](C)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448906612 267181506 /nfs/dbraw/zinc/18/15/06/267181506.db2.gz APDAECNSYCDCJM-GFCCVEGCSA-N 0 0 313.426 3.500 10 30 DGEERN CC[C@](C)(NC(=O)Cc1cccc(C#N)c1)c1nc(C)cs1 ZINC000531391840 267237507 /nfs/dbraw/zinc/23/75/07/267237507.db2.gz YUMQVZQRLGUMKO-KRWDZBQOSA-N 0 0 313.426 3.307 10 30 DGEERN Cc1cc(C#N)nc(N2CCC[C@H]2c2cccc(N(C)C)c2)n1 ZINC000367332797 267315650 /nfs/dbraw/zinc/31/56/50/267315650.db2.gz MOQPBJCBWLDVNF-KRWDZBQOSA-N 0 0 307.401 3.064 10 30 DGEERN COc1ccc(CCNC(=O)C2(C#N)CCCC2)c(Cl)c1 ZINC000151343846 432239502 /nfs/dbraw/zinc/23/95/02/432239502.db2.gz XXCJMVWBLJRRIT-UHFFFAOYSA-N 0 0 306.793 3.091 10 30 DGEERN Cc1ccc2[nH]c(CNc3nc4c(cc3C#N)CCC4)nc2c1 ZINC000524794146 268047779 /nfs/dbraw/zinc/04/77/79/268047779.db2.gz BZFJEMVRFSCRJK-UHFFFAOYSA-N 0 0 303.369 3.239 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000531396180 268272103 /nfs/dbraw/zinc/27/21/03/268272103.db2.gz QQCSEBDRDCYMAW-UHFFFAOYSA-N 0 0 320.392 3.213 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2c[nH]c3cc(F)ccc23)c1 ZINC000530670729 268275679 /nfs/dbraw/zinc/27/56/79/268275679.db2.gz GQWTWYARSRYRTJ-UHFFFAOYSA-N 0 0 321.355 3.080 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000530677183 268276649 /nfs/dbraw/zinc/27/66/49/268276649.db2.gz MVUYCQQYAXAUDJ-IBGZPJMESA-N 0 0 304.393 3.238 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000531384803 268278717 /nfs/dbraw/zinc/27/87/17/268278717.db2.gz CRBRZOFCJHKZSH-UHFFFAOYSA-N 0 0 305.381 3.340 10 30 DGEERN N#Cc1cnccc1N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000368668799 271189614 /nfs/dbraw/zinc/18/96/14/271189614.db2.gz ZJXBALVEXAKYOP-UHFFFAOYSA-N 0 0 303.369 3.214 10 30 DGEERN Cc1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000183071581 432255571 /nfs/dbraw/zinc/25/55/71/432255571.db2.gz NQQBKGNANPLXJP-LLVKDONJSA-N 0 0 317.414 3.427 10 30 DGEERN O=C1c2ccc(F)cc2O/C1=C\c1ccc(-n2cncn2)cc1 ZINC000369665248 275031115 /nfs/dbraw/zinc/03/11/15/275031115.db2.gz RQIUCKSNZSNCQL-APSNUPSMSA-N 0 0 307.284 3.023 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000488814220 429200960 /nfs/dbraw/zinc/20/09/60/429200960.db2.gz YKEAPWHMWWPXFL-ZDUSSCGKSA-N 0 0 303.410 3.356 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@H]3CCC[C@@H]3C#N)sc2C1 ZINC000408232491 287828942 /nfs/dbraw/zinc/82/89/42/287828942.db2.gz OPQVJIVUCQTRFA-MXWKQRLJSA-N 0 0 304.419 3.082 10 30 DGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCSCC1 ZINC000263691957 275542696 /nfs/dbraw/zinc/54/26/96/275542696.db2.gz MOGVWOUFQMQZRH-UHFFFAOYSA-N 0 0 306.435 3.086 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000518211446 429413325 /nfs/dbraw/zinc/41/33/25/429413325.db2.gz GWTGMMGXETXCCX-UHFFFAOYSA-N 0 0 304.316 3.313 10 30 DGEERN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C#N)n1C ZINC000451782781 276600934 /nfs/dbraw/zinc/60/09/34/276600934.db2.gz UCNUDKLBBPOAEI-MRXNPFEDSA-N 0 0 311.385 3.129 10 30 DGEERN CCc1nnc(C)cc1C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000330175453 276706392 /nfs/dbraw/zinc/70/63/92/276706392.db2.gz ZQTAHNPUWZBIBU-INIZCTEOSA-N 0 0 311.385 3.435 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000437493127 276870896 /nfs/dbraw/zinc/87/08/96/276870896.db2.gz SEUBVLWMEYXBIO-VXAPYIKBSA-N 0 0 321.367 3.166 10 30 DGEERN C=CC[C@H]1N(C(=O)c2cc(C(=O)OC)co2)CCCC1(C)C ZINC000278421578 276911057 /nfs/dbraw/zinc/91/10/57/276911057.db2.gz OTYYCBQPJIIRHH-CQSZACIVSA-N 0 0 305.374 3.273 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000417629686 276922445 /nfs/dbraw/zinc/92/24/45/276922445.db2.gz SRCFBTKYQUIBNQ-CYBMUJFWSA-N 0 0 306.362 3.227 10 30 DGEERN CC(C)(C)OC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441004463 277210801 /nfs/dbraw/zinc/21/08/01/277210801.db2.gz ZYGWNTFTLUXHPM-UHFFFAOYSA-N 0 0 321.465 3.305 10 30 DGEERN CC(C)(C)c1csc(NC(=O)N2CC3(C2)CCCOC3)n1 ZINC000329630530 277271766 /nfs/dbraw/zinc/27/17/66/277271766.db2.gz HWQLSGJDEWLAME-UHFFFAOYSA-N 0 0 309.435 3.099 10 30 DGEERN CO[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1C ZINC000230248800 277300425 /nfs/dbraw/zinc/30/04/25/277300425.db2.gz QGHPNTRRJZLHQK-IINYFYTJSA-N 0 0 309.207 3.182 10 30 DGEERN CC(C)C[C@@]1(C)NC(=O)N(CC#Cc2ccc(Cl)cc2)C1=O ZINC000176284640 277469347 /nfs/dbraw/zinc/46/93/47/277469347.db2.gz JLWOHVAQANVQGZ-QGZVFWFLSA-N 0 0 318.804 3.048 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccn([C@@H](CCC)C(=O)OCC)n2)C1 ZINC000601667579 430540499 /nfs/dbraw/zinc/54/04/99/430540499.db2.gz VGTQJJKAFIDZFQ-ZDUSSCGKSA-N 0 0 319.405 3.082 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)[C@H]1CCSC1 ZINC000460962719 277784702 /nfs/dbraw/zinc/78/47/02/277784702.db2.gz MBMZXHOYMMDLRF-AWEZNQCLSA-N 0 0 308.495 3.385 10 30 DGEERN C=C(C)Cn1c(N(C)[C@H](C)C2CC2)nnc1[C@]1(C)CCCO1 ZINC000453472112 277785600 /nfs/dbraw/zinc/78/56/00/277785600.db2.gz WBZANIXOKHMRQK-DYVFJYSZSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453472738 277785695 /nfs/dbraw/zinc/78/56/95/277785695.db2.gz YDUYNHFHNPMBAQ-MPGHIAIKSA-N 0 0 318.465 3.362 10 30 DGEERN C=CC1CCN(c2nnc([C@@]3(C)CCCO3)n2CC(=C)C)CC1 ZINC000453460282 277821780 /nfs/dbraw/zinc/82/17/80/277821780.db2.gz DGILZEWCQPSDNV-GOSISDBHSA-N 0 0 316.449 3.282 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCCOc3ccccc32)CCOCC1 ZINC000424645631 277825371 /nfs/dbraw/zinc/82/53/71/277825371.db2.gz STEPYCIGWPTHGC-MRXNPFEDSA-N 0 0 315.413 3.389 10 30 DGEERN N#CCCn1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n1 ZINC000609795309 430563854 /nfs/dbraw/zinc/56/38/54/430563854.db2.gz WZIAIWPJNUCTIO-UHFFFAOYSA-N 0 0 313.748 3.184 10 30 DGEERN CCOc1cccc(CCNc2ncc(Cl)c(C)c2C#N)n1 ZINC000612084668 430570508 /nfs/dbraw/zinc/57/05/08/430570508.db2.gz CNPUQJFXVDCNRG-UHFFFAOYSA-N 0 0 316.792 3.363 10 30 DGEERN C=CCOCCNC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000370588488 277876522 /nfs/dbraw/zinc/87/65/22/277876522.db2.gz KRZUVJHIRSEMHW-BCDXTJNWSA-N 0 0 314.429 3.309 10 30 DGEERN C=C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)OC ZINC000619687361 430597092 /nfs/dbraw/zinc/59/70/92/430597092.db2.gz RNMGBIGJHKKAKF-JTQLQIEISA-N 0 0 307.400 3.101 10 30 DGEERN C=CCn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453435089 277894110 /nfs/dbraw/zinc/89/41/10/277894110.db2.gz GFRVHXPEPJLZKA-GRDNDAEWSA-N 0 0 304.438 3.115 10 30 DGEERN COc1cccc2c1CCN(c1cccc(C#N)c1[N+](=O)[O-])CC2 ZINC000450487707 278031088 /nfs/dbraw/zinc/03/10/88/278031088.db2.gz VPHMEPFBIMHBMH-UHFFFAOYSA-N 0 0 323.352 3.080 10 30 DGEERN COc1cccc2c1CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC000486497605 278031311 /nfs/dbraw/zinc/03/13/11/278031311.db2.gz TWVDBKNMEIDJQB-UHFFFAOYSA-N 0 0 319.408 3.056 10 30 DGEERN CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182690827 278259477 /nfs/dbraw/zinc/25/94/77/278259477.db2.gz ZXLWPDKAYVFJAR-INIZCTEOSA-N 0 0 309.417 3.333 10 30 DGEERN C[C@H]1CCc2nc(NC(=O)c3cnn4c3CCCC4)sc2C1 ZINC000329664826 278389081 /nfs/dbraw/zinc/38/90/81/278389081.db2.gz KBQJFPHECQBGMV-JTQLQIEISA-N 0 0 316.430 3.437 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)CCc3ccnn3C)sc2C1 ZINC000329986257 278624234 /nfs/dbraw/zinc/62/42/34/278624234.db2.gz FAGANYHFBFQOCG-SNVBAGLBSA-N 0 0 304.419 3.222 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(C#N)cc1 ZINC000066709513 278857376 /nfs/dbraw/zinc/85/73/76/278857376.db2.gz ZOGHZFDFPUSUGQ-DNVCBOLYSA-N 0 0 320.392 3.089 10 30 DGEERN C=CC1CCN(C(=O)c2ccccc2OCCOCC)CC1 ZINC000110368240 431190757 /nfs/dbraw/zinc/19/07/57/431190757.db2.gz KMOIQMHVFSOCKT-UHFFFAOYSA-N 0 0 303.402 3.140 10 30 DGEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)CCCCC#N ZINC000068879045 431147794 /nfs/dbraw/zinc/14/77/94/431147794.db2.gz SHOBYKHRLCCRAE-QLFBSQMISA-N 0 0 300.468 3.060 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C1CC1 ZINC000108839860 431156036 /nfs/dbraw/zinc/15/60/36/431156036.db2.gz PYIFPUYARASFQM-CYBMUJFWSA-N 0 0 301.733 3.027 10 30 DGEERN Cc1ccc(C)c(OCCCCC(=O)N[C@@H](C#N)C2CC2)c1 ZINC000108829177 431158148 /nfs/dbraw/zinc/15/81/48/431158148.db2.gz GPXWYAOXAFJIGU-INIZCTEOSA-N 0 0 300.402 3.271 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)C1CC1 ZINC000108843324 431160688 /nfs/dbraw/zinc/16/06/88/431160688.db2.gz RBMFFFBIWNSCLW-SFHVURJKSA-N 0 0 306.365 3.298 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000112184137 431253130 /nfs/dbraw/zinc/25/31/30/431253130.db2.gz SGBXLHKZRZVGPU-QGZVFWFLSA-N 0 0 320.477 3.228 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000112184138 431253344 /nfs/dbraw/zinc/25/33/44/431253344.db2.gz SGBXLHKZRZVGPU-KRWDZBQOSA-N 0 0 320.477 3.228 10 30 DGEERN Cc1cc(C)c2c(-c3ccc(F)cc3)c(C#N)c(=O)n(C)c2n1 ZINC000006255645 431316543 /nfs/dbraw/zinc/31/65/43/431316543.db2.gz YDJFBQWWHTWPEO-UHFFFAOYSA-N 0 0 307.328 3.228 10 30 DGEERN C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(CC)c1C ZINC000072098913 431331099 /nfs/dbraw/zinc/33/10/99/431331099.db2.gz PGXMORXATYFHLQ-UHFFFAOYSA-N 0 0 318.446 3.186 10 30 DGEERN N#Cc1c(CN2CCCC[C@H]2c2cn[nH]c2)cn2ccccc12 ZINC000114202612 431377669 /nfs/dbraw/zinc/37/76/69/431377669.db2.gz GBQDPYIHATYGCQ-KRWDZBQOSA-N 0 0 305.385 3.261 10 30 DGEERN C=CCCCN(C)C(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000073845954 431385717 /nfs/dbraw/zinc/38/57/17/431385717.db2.gz AKLVRPKLGOIYLK-UHFFFAOYSA-N 0 0 303.406 3.011 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116775916 431527115 /nfs/dbraw/zinc/52/71/15/431527115.db2.gz SDZBAPVYZHPZJB-KRWDZBQOSA-N 0 0 320.481 3.494 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000116974311 431542339 /nfs/dbraw/zinc/54/23/39/431542339.db2.gz RJSUEHUOMLOEPB-ZBFHGGJFSA-N 0 0 302.418 3.376 10 30 DGEERN CC(C)[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1C#N ZINC000117195453 431551420 /nfs/dbraw/zinc/55/14/20/431551420.db2.gz FEFAHOXIKJAZHQ-GOEBONIOSA-N 0 0 300.402 3.363 10 30 DGEERN C=CCCCN(C)C(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC000076491056 431552824 /nfs/dbraw/zinc/55/28/24/431552824.db2.gz BXQUJOPCSOWWSH-ZDUSSCGKSA-N 0 0 321.442 3.378 10 30 DGEERN C=CCCCN(C)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000076488065 431553273 /nfs/dbraw/zinc/55/32/73/431553273.db2.gz JFOBBVPKSWNTOR-UHFFFAOYSA-N 0 0 309.793 3.078 10 30 DGEERN C=CCCCN(C)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000076486881 431553482 /nfs/dbraw/zinc/55/34/82/431553482.db2.gz VFZMBWGGCJPNTJ-HNNXBMFYSA-N 0 0 300.402 3.002 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000076485610 431554201 /nfs/dbraw/zinc/55/42/01/431554201.db2.gz OVTNGSBQUVCZHM-BBRMVZONSA-N 0 0 300.402 3.319 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000076973342 431568652 /nfs/dbraw/zinc/56/86/52/431568652.db2.gz WUOBDKNWQWEIDV-AWEZNQCLSA-N 0 0 323.387 3.151 10 30 DGEERN CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)CC2)cc1 ZINC000013796645 431569939 /nfs/dbraw/zinc/56/99/39/431569939.db2.gz UNHXJQNYRJHGEJ-UHFFFAOYSA-N 0 0 312.390 3.364 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000077186648 431572012 /nfs/dbraw/zinc/57/20/12/431572012.db2.gz VXNADKPIOBDPNE-UHFFFAOYSA-N 0 0 301.390 3.465 10 30 DGEERN Cc1cc(C#N)nc(N[C@H]2CCc3cc(F)c(F)c(F)c32)n1 ZINC000450831689 280319542 /nfs/dbraw/zinc/31/95/42/280319542.db2.gz GSWBVVRLMVMSNO-NSHDSACASA-N 0 0 304.275 3.173 10 30 DGEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCc2ccccc2C1=O ZINC000330183954 280391202 /nfs/dbraw/zinc/39/12/02/280391202.db2.gz QKABBJCYEMPSBS-UKPHBRMFSA-N 0 0 301.386 3.202 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccnc2c1nnn2C ZINC000328804443 280403470 /nfs/dbraw/zinc/40/34/70/280403470.db2.gz MYHFVMARQMBJHY-BZPMIXESSA-N 0 0 315.421 3.129 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078187684 431647666 /nfs/dbraw/zinc/64/76/66/431647666.db2.gz QUYKTAVARCOGPS-BFYDXBDKSA-N 0 0 317.429 3.381 10 30 DGEERN C=C1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1C(=O)OCC ZINC000025984490 431669959 /nfs/dbraw/zinc/66/99/59/431669959.db2.gz NSAOPNOGONFPPX-QGZVFWFLSA-N 0 0 322.360 3.223 10 30 DGEERN C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1cc(F)ccc1F ZINC000078546290 431678992 /nfs/dbraw/zinc/67/89/92/431678992.db2.gz DORJIWQCGKFCLO-VIFPVBQESA-N 0 0 323.368 3.414 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000119451052 431691396 /nfs/dbraw/zinc/69/13/96/431691396.db2.gz JDBXYEAYVXOXFL-HNNXBMFYSA-N 0 0 307.434 3.335 10 30 DGEERN C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)C1CCOCC1 ZINC000120899949 431738312 /nfs/dbraw/zinc/73/83/12/431738312.db2.gz NQBRIURNSXWOEU-CQSZACIVSA-N 0 0 316.401 3.370 10 30 DGEERN C=CCCCN(C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000121110003 431745550 /nfs/dbraw/zinc/74/55/50/431745550.db2.gz LYIFHPMYFCPJEV-UHFFFAOYSA-N 0 0 305.353 3.186 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000121164674 431747501 /nfs/dbraw/zinc/74/75/01/431747501.db2.gz FXUUDRMCUIENJU-MRXNPFEDSA-N 0 0 322.412 3.103 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000081728391 431799504 /nfs/dbraw/zinc/79/95/04/431799504.db2.gz VBUHOUOUQCCOKB-UHFFFAOYSA-N 0 0 319.368 3.293 10 30 DGEERN CCc1nc(C2(NCc3ccc(F)c(C#N)c3)CCCC2)no1 ZINC000121561406 431802339 /nfs/dbraw/zinc/80/23/39/431802339.db2.gz PNYYSRXQQOMLNL-UHFFFAOYSA-N 0 0 314.364 3.202 10 30 DGEERN C=CCOCCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000122010998 431808707 /nfs/dbraw/zinc/80/87/07/431808707.db2.gz PRXPLSZHZOISEE-HNNXBMFYSA-N 0 0 303.402 3.388 10 30 DGEERN N/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000033519243 431815133 /nfs/dbraw/zinc/81/51/33/431815133.db2.gz ILRCNAQGGFOBCO-FHHIAAGZSA-N 0 0 300.745 3.305 10 30 DGEERN Cc1n[nH]c(C)c1CNc1ccc(C#N)cc1Br ZINC000037072363 431844184 /nfs/dbraw/zinc/84/41/84/431844184.db2.gz WIXLMASULOMAML-UHFFFAOYSA-N 0 0 305.179 3.273 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000041480420 431859644 /nfs/dbraw/zinc/85/96/44/431859644.db2.gz NUGZNQDWUSCTMT-WQVCFCJDSA-N 0 0 319.364 3.166 10 30 DGEERN CC(C)Oc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123265069 431860001 /nfs/dbraw/zinc/86/00/01/431860001.db2.gz UUVDLMWSYAJXHE-UHFFFAOYSA-N 0 0 320.396 3.283 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809572 431833461 /nfs/dbraw/zinc/83/34/61/431833461.db2.gz IWBFKJYGPFVCOF-STQMWFEESA-N 0 0 307.346 3.489 10 30 DGEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000122515531 431836461 /nfs/dbraw/zinc/83/64/61/431836461.db2.gz NERNWWZHZZKHPE-OAHLLOKOSA-N 0 0 306.406 3.417 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@H](CSc2ncccc2C#N)C1 ZINC000085333682 431837973 /nfs/dbraw/zinc/83/79/73/431837973.db2.gz UENNACIZDHGYRC-LBPRGKRZSA-N 0 0 319.430 3.302 10 30 DGEERN COc1ccc(COc2ccc(CC[C@H](C)O)cc2)cc1C#N ZINC000125007856 431910572 /nfs/dbraw/zinc/91/05/72/431910572.db2.gz HNDYOGJEFNEAKT-AWEZNQCLSA-N 0 0 311.381 3.459 10 30 DGEERN COc1ccc(COc2cc([N+](=O)[O-])ccc2OC)cc1C#N ZINC000125035143 431911550 /nfs/dbraw/zinc/91/15/50/431911550.db2.gz ZMFYARLPNNPKKG-UHFFFAOYSA-N 0 0 314.297 3.063 10 30 DGEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093757813 431917087 /nfs/dbraw/zinc/91/70/87/431917087.db2.gz LPAKKSFBCURQFS-ZDUSSCGKSA-N 0 0 321.446 3.109 10 30 DGEERN COc1ccc(C[C@H](C)CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000089767112 431878054 /nfs/dbraw/zinc/87/80/54/431878054.db2.gz YAPAGOQFTTWSCG-AWEZNQCLSA-N 0 0 322.408 3.484 10 30 DGEERN N#CCOc1cccc(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000089770395 431878570 /nfs/dbraw/zinc/87/85/70/431878570.db2.gz GROQFHZPNNTNHM-FQEVSTJZSA-N 0 0 324.424 3.480 10 30 DGEERN O=C1CCCC2=C1[C@H](c1ccccc1)N=C(c1cccnc1)N2 ZINC000045348985 431885085 /nfs/dbraw/zinc/88/50/85/431885085.db2.gz QNBHGUFXYYHYIQ-SFHVURJKSA-N 0 0 303.365 3.180 10 30 DGEERN N#Cc1csc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000092095015 431907324 /nfs/dbraw/zinc/90/73/24/431907324.db2.gz GRTDBLSHJPISMG-BLLLJJGKSA-N 0 0 320.364 3.206 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccco1)C1CCCC1 ZINC000125855198 431937399 /nfs/dbraw/zinc/93/73/99/431937399.db2.gz WUJVJICCWJFKKS-OAHLLOKOSA-N 0 0 317.433 3.032 10 30 DGEERN Cc1ccc([C@H]2OCCC[C@@H]2CNc2cnc(C#N)cn2)cc1 ZINC000125991765 431940261 /nfs/dbraw/zinc/94/02/61/431940261.db2.gz WHIQCBMGEAVFIO-CRAIPNDOSA-N 0 0 308.385 3.237 10 30 DGEERN CC[C@@H](Nc1cnc(C#N)cn1)c1nc(C(F)(F)F)cs1 ZINC000126067249 431941592 /nfs/dbraw/zinc/94/15/92/431941592.db2.gz QDYYSZMEYWDGDK-MRVPVSSYSA-N 0 0 313.308 3.387 10 30 DGEERN N#Cc1ccc(OCCN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126178633 431944234 /nfs/dbraw/zinc/94/42/34/431944234.db2.gz NRABGDKHQZITRX-QGZVFWFLSA-N 0 0 314.410 3.072 10 30 DGEERN N#Cc1ccc(OCCN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126178401 431944617 /nfs/dbraw/zinc/94/46/17/431944617.db2.gz NRABGDKHQZITRX-KRWDZBQOSA-N 0 0 314.410 3.072 10 30 DGEERN CCC(C)(C)NC(=O)CSCCCOc1cccc(C#N)c1 ZINC000126559906 431953042 /nfs/dbraw/zinc/95/30/42/431953042.db2.gz ZPAALWSQKBBWAZ-UHFFFAOYSA-N 0 0 320.458 3.365 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000126623949 431954952 /nfs/dbraw/zinc/95/49/52/431954952.db2.gz ICMVHLAFHIRUOT-UHFFFAOYSA-N 0 0 322.303 3.126 10 30 DGEERN C=C(C)COc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1OC ZINC000126890857 431960726 /nfs/dbraw/zinc/96/07/26/431960726.db2.gz TZSPKMJOGGPXNR-HUUCEWRRSA-N 0 0 305.418 3.259 10 30 DGEERN N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4)CC3)cc2c1 ZINC000053218685 431962354 /nfs/dbraw/zinc/96/23/54/431962354.db2.gz TWVIJESEEXGVPP-UHFFFAOYSA-N 0 0 316.408 3.362 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000127864034 431982302 /nfs/dbraw/zinc/98/23/02/431982302.db2.gz IBTPLBRSSXPPDS-UHFFFAOYSA-N 0 0 315.320 3.329 10 30 DGEERN CCOC(=O)c1c(C)csc1NC(=O)c1sccc1C#N ZINC000127972386 431984937 /nfs/dbraw/zinc/98/49/37/431984937.db2.gz RPFFJKQNJJIDRO-UHFFFAOYSA-N 0 0 320.395 3.419 10 30 DGEERN Cc1ccc(C#N)c(N2CCC(Nc3ccccc3F)CC2)n1 ZINC000127997354 431985750 /nfs/dbraw/zinc/98/57/50/431985750.db2.gz KYACTDUWZKLQPD-UHFFFAOYSA-N 0 0 310.376 3.482 10 30 DGEERN Cc1ccc2ncnc(N3CCc4c(C#N)c(N)sc4C3)c2c1 ZINC000301505643 281173643 /nfs/dbraw/zinc/17/36/43/281173643.db2.gz GUGDGPFRBWBFCN-UHFFFAOYSA-N 0 0 321.409 3.016 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000128403708 431993989 /nfs/dbraw/zinc/99/39/89/431993989.db2.gz IIPAPYMROGDEEN-WBVHZDCISA-N 0 0 300.402 3.048 10 30 DGEERN Cc1cc(OCC(=O)NC2(C#N)CCCC2)ccc1C(C)C ZINC000058854507 431997749 /nfs/dbraw/zinc/99/77/49/431997749.db2.gz GHFIBVNONWNMRH-UHFFFAOYSA-N 0 0 300.402 3.450 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000183124756 432261594 /nfs/dbraw/zinc/26/15/94/432261594.db2.gz BHUUSWMBCNKXPM-IRXDYDNUSA-N 0 0 310.397 3.025 10 30 DGEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1SCCC#N ZINC000191475770 432268790 /nfs/dbraw/zinc/26/87/90/432268790.db2.gz ZTNHRMBTAIKLSD-QWHCGFSZSA-N 0 0 304.415 3.446 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000248763593 432317281 /nfs/dbraw/zinc/31/72/81/432317281.db2.gz MXVNDKLQZSJNPN-DAXOMENPSA-N 0 0 319.364 3.166 10 30 DGEERN O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CC#Cc2ccccc2)C1 ZINC000248833088 432322748 /nfs/dbraw/zinc/32/27/48/432322748.db2.gz IVXXRQNLWQTVFI-LPHOPBHVSA-N 0 0 313.347 3.124 10 30 DGEERN COc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2nccn2C)cc1 ZINC000248864529 432325347 /nfs/dbraw/zinc/32/53/47/432325347.db2.gz PZSYSSUYHWACTH-KYJSFNMBSA-N 0 0 324.428 3.190 10 30 DGEERN C[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000174309005 432335461 /nfs/dbraw/zinc/33/54/61/432335461.db2.gz KJGJHNAUCHGCRR-LLVKDONJSA-N 0 0 300.308 3.370 10 30 DGEERN C#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000192195523 432344490 /nfs/dbraw/zinc/34/44/90/432344490.db2.gz DROYADBBXMNHKW-WBVHZDCISA-N 0 0 304.821 3.005 10 30 DGEERN Cn1cc(-c2cc(CSCc3ccccc3C#N)on2)cn1 ZINC000184070351 432351880 /nfs/dbraw/zinc/35/18/80/432351880.db2.gz LHZMZYNHWCLXOT-UHFFFAOYSA-N 0 0 310.382 3.380 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000248641505 432310513 /nfs/dbraw/zinc/31/05/13/432310513.db2.gz XTDPKDWZGWCTSM-OFQRWUPVSA-N 0 0 303.402 3.255 10 30 DGEERN N#Cc1nccn1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000152186089 432311135 /nfs/dbraw/zinc/31/11/35/432311135.db2.gz WBCAVBHWVUKRLT-UHFFFAOYSA-N 0 0 318.336 3.186 10 30 DGEERN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008039 432314430 /nfs/dbraw/zinc/31/44/30/432314430.db2.gz ZYEXPCWFJGZSNW-NEPJUHHUSA-N 0 0 305.809 3.271 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008067 432314527 /nfs/dbraw/zinc/31/45/27/432314527.db2.gz ZYEXPCWFJGZSNW-VXGBXAGGSA-N 0 0 305.809 3.271 10 30 DGEERN C[C@H](CC1CCCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183662157 432314660 /nfs/dbraw/zinc/31/46/60/432314660.db2.gz DRLHUTMHADNXNL-CYBMUJFWSA-N 0 0 323.400 3.294 10 30 DGEERN C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)c2ccccc2S1 ZINC000192487630 432380229 /nfs/dbraw/zinc/38/02/29/432380229.db2.gz FTCJDTOHRAJIMN-GFCCVEGCSA-N 0 0 309.394 3.484 10 30 DGEERN Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)C(C)C)cc1 ZINC000254383526 432402489 /nfs/dbraw/zinc/40/24/89/432402489.db2.gz JVAWPNROKKVIKY-UHFFFAOYSA-N 0 0 316.426 3.334 10 30 DGEERN O=C[C@]1(Pc2ccccc2)C=CC=C[C@H]1Pc1ccccc1 ZINC000255004080 432406140 /nfs/dbraw/zinc/40/61/40/432406140.db2.gz MWHLVCGXSLAIRP-RTBURBONSA-N 0 0 324.300 3.427 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCc4c3cccc4O)cc2)CC1 ZINC000271934203 432428392 /nfs/dbraw/zinc/42/83/92/432428392.db2.gz BNJXONWLITXQFJ-QGZVFWFLSA-N 0 0 318.376 3.365 10 30 DGEERN C[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)O1 ZINC000153814428 432445538 /nfs/dbraw/zinc/44/55/38/432445538.db2.gz GVCILOLRQZMOKI-OXHMUOHRSA-N 0 0 313.184 3.242 10 30 DGEERN N#Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)ccn1 ZINC000193117260 432451143 /nfs/dbraw/zinc/45/11/43/432451143.db2.gz GNYTYKHQLDVEAH-MRXNPFEDSA-N 0 0 305.381 3.363 10 30 DGEERN Cc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1C#N ZINC000193137205 432453576 /nfs/dbraw/zinc/45/35/76/432453576.db2.gz VDIBCXZJKGSDKZ-UHFFFAOYSA-N 0 0 321.365 3.033 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1 ZINC000193197980 432458341 /nfs/dbraw/zinc/45/83/41/432458341.db2.gz OLOLXFAWBBCOGK-OLZOCXBDSA-N 0 0 306.372 3.074 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc2ncccc2c1 ZINC000193947676 432512239 /nfs/dbraw/zinc/51/22/39/432512239.db2.gz UBLVZLHFPIOQNK-UHFFFAOYSA-N 0 0 301.349 3.345 10 30 DGEERN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000193641218 432487027 /nfs/dbraw/zinc/48/70/27/432487027.db2.gz JBGJEEZZGYNEEL-NSHDSACASA-N 0 0 317.776 3.402 10 30 DGEERN CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000185321433 432491013 /nfs/dbraw/zinc/49/10/13/432491013.db2.gz LNUICEQDWYOKKC-MSOLQXFVSA-N 0 0 312.413 3.220 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000185368503 432496402 /nfs/dbraw/zinc/49/64/02/432496402.db2.gz FZCVLBUORIREPU-ARFHVFGLSA-N 0 0 308.466 3.132 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000185466386 432502727 /nfs/dbraw/zinc/50/27/27/432502727.db2.gz FAUVSBPHKLTRNH-QGZVFWFLSA-N 0 0 302.462 3.488 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000185468694 432503943 /nfs/dbraw/zinc/50/39/43/432503943.db2.gz VFEASUPNVKPVEF-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCCCC(=O)N[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193862436 432505008 /nfs/dbraw/zinc/50/50/08/432505008.db2.gz KUKLRDZFCRDVCX-OAHLLOKOSA-N 0 0 309.793 3.417 10 30 DGEERN CCC[C@@H](CCc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193343599 432467030 /nfs/dbraw/zinc/46/70/30/432467030.db2.gz VUGNCFWWSAWKID-KRWDZBQOSA-N 0 0 307.397 3.485 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCc2c(C(=O)OC)cccc21 ZINC000185131180 432470315 /nfs/dbraw/zinc/47/03/15/432470315.db2.gz VOEIUCOEDLFTRY-ZDUSSCGKSA-N 0 0 301.386 3.355 10 30 DGEERN CC(C)=C(F)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000155321262 432549932 /nfs/dbraw/zinc/54/99/32/432549932.db2.gz MQFDPMRBYYCGGY-UHFFFAOYSA-N 0 0 302.349 3.191 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000185965304 432550677 /nfs/dbraw/zinc/55/06/77/432550677.db2.gz XTDPKDWZGWCTSM-SQWLQELKSA-N 0 0 303.402 3.255 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCc1ccccc1OC1CCCC1 ZINC000176776054 432550868 /nfs/dbraw/zinc/55/08/68/432550868.db2.gz UXQZHEVFQHUJKB-UHFFFAOYSA-N 0 0 323.396 3.148 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000186048455 432553997 /nfs/dbraw/zinc/55/39/97/432553997.db2.gz XVIHAEGZMQCMOF-AAEUAGOBSA-N 0 0 304.415 3.199 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC(C)(C)C(=O)NCC1CCCCC1 ZINC000186074306 432556138 /nfs/dbraw/zinc/55/61/38/432556138.db2.gz YJFMGZOJBHLXAF-CQSZACIVSA-N 0 0 308.466 3.180 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc(C2CC2)c(C(=O)OC)s1 ZINC000186100690 432558987 /nfs/dbraw/zinc/55/89/87/432558987.db2.gz ZHWUVWKARMUSCC-VIFPVBQESA-N 0 0 308.403 3.348 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000194560944 432559500 /nfs/dbraw/zinc/55/95/00/432559500.db2.gz VPFOJANBZVJEQP-NSHDSACASA-N 0 0 312.410 3.114 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000185858921 432539059 /nfs/dbraw/zinc/53/90/59/432539059.db2.gz FXCSJOOLFYBZOS-INIZCTEOSA-N 0 0 316.445 3.368 10 30 DGEERN Cc1oc2ncnc(NC(=O)c3ccc(C#N)cc3C)c2c1C ZINC000155169895 432542196 /nfs/dbraw/zinc/54/21/96/432542196.db2.gz FTWLPGXDGBKCLW-UHFFFAOYSA-N 0 0 306.325 3.272 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1CCc1ccccc1 ZINC000185890198 432542647 /nfs/dbraw/zinc/54/26/47/432542647.db2.gz OFQJMNOWXRSNPY-SFHVURJKSA-N 0 0 309.409 3.139 10 30 DGEERN C=CCOc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000263466621 432547021 /nfs/dbraw/zinc/54/70/21/432547021.db2.gz CRYGLRKELCZZTQ-NJAFHUGGSA-N 0 0 315.413 3.469 10 30 DGEERN C=CC[C@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000186580694 432610018 /nfs/dbraw/zinc/61/00/18/432610018.db2.gz DYFRRWQXXOSFOK-ZBFHGGJFSA-N 0 0 324.428 3.152 10 30 DGEERN CCCCCCCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000194658472 432566465 /nfs/dbraw/zinc/56/64/65/432566465.db2.gz SKYDZLXCDIJCET-UHFFFAOYSA-N 0 0 300.406 3.244 10 30 DGEERN CCC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1F ZINC000176952098 432568626 /nfs/dbraw/zinc/56/86/26/432568626.db2.gz KDSMOZRCGCLVAS-OAHLLOKOSA-N 0 0 317.339 3.446 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000176957906 432569724 /nfs/dbraw/zinc/56/97/24/432569724.db2.gz CGBVRGKPXOQYGA-NSHDSACASA-N 0 0 306.793 3.380 10 30 DGEERN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CCN1CC(F)F ZINC000186315982 432581088 /nfs/dbraw/zinc/58/10/88/432581088.db2.gz ZPJCKMNLKBKMTI-MRXNPFEDSA-N 0 0 307.388 3.028 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000186335714 432582449 /nfs/dbraw/zinc/58/24/49/432582449.db2.gz PVKMSWFLXMPKAR-NSHDSACASA-N 0 0 302.296 3.072 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(SCC)nc1 ZINC000263903153 432592340 /nfs/dbraw/zinc/59/23/40/432592340.db2.gz CAZBHDOUPBABEE-UHFFFAOYSA-N 0 0 304.337 3.384 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000186409604 432592712 /nfs/dbraw/zinc/59/27/12/432592712.db2.gz KBLBSJBVZDKNEF-GOEBONIOSA-N 0 0 304.434 3.318 10 30 DGEERN Cc1c(Cl)cnc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000273402498 432595919 /nfs/dbraw/zinc/59/59/19/432595919.db2.gz WKQDKDKWGCHEMZ-NSHDSACASA-N 0 0 321.808 3.083 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)(C#N)CC1 ZINC000273478661 432602269 /nfs/dbraw/zinc/60/22/69/432602269.db2.gz KFCDCXGUHCXEQI-ACCUITESSA-N 0 0 313.357 3.150 10 30 DGEERN O=c1ccn(C2CC2)c(SCC#Cc2ccc(Cl)cc2)n1 ZINC000177478743 432627703 /nfs/dbraw/zinc/62/77/03/432627703.db2.gz UKCWYGGTLDKAGG-UHFFFAOYSA-N 0 0 316.813 3.375 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000187040923 432643715 /nfs/dbraw/zinc/64/37/15/432643715.db2.gz REXASVVXNLBBAK-CVEARBPZSA-N 0 0 311.466 3.437 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000274271798 432645573 /nfs/dbraw/zinc/64/55/73/432645573.db2.gz HMSSLXYHYGDLFU-LLVKDONJSA-N 0 0 321.373 3.031 10 30 DGEERN C=CCOc1cccc(CN2CC[S@](=O)C(CC)(CC)C2)c1 ZINC000187553679 432668524 /nfs/dbraw/zinc/66/85/24/432668524.db2.gz WNBLJSXLCBGNQL-QFIPXVFZSA-N 0 0 321.486 3.375 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000274333550 432651990 /nfs/dbraw/zinc/65/19/90/432651990.db2.gz JQNVECNNBKVCSR-IUODEOHRSA-N 0 0 307.365 3.148 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000177736597 432655420 /nfs/dbraw/zinc/65/54/20/432655420.db2.gz CWRNRLLPEFVEQO-UHFFFAOYSA-N 0 0 321.424 3.382 10 30 DGEERN C=CCCCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000274434130 432666563 /nfs/dbraw/zinc/66/65/63/432666563.db2.gz CDPNACQHXKXBBQ-BBRMVZONSA-N 0 0 300.402 3.367 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C(C)C ZINC000188014261 432698606 /nfs/dbraw/zinc/69/86/06/432698606.db2.gz ADROQUCIPKZEGI-UHFFFAOYSA-N 0 0 302.418 3.344 10 30 DGEERN C=C(C)CCN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000274707727 432701331 /nfs/dbraw/zinc/70/13/31/432701331.db2.gz BINARAFCVFHYBM-MRXNPFEDSA-N 0 0 324.327 3.021 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000188062534 432702800 /nfs/dbraw/zinc/70/28/00/432702800.db2.gz CMFBMTNYOOTCMR-MWLCHTKSSA-N 0 0 317.216 3.291 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275496674 432726415 /nfs/dbraw/zinc/72/64/15/432726415.db2.gz QFISJFHRHVYWAP-MLGOLLRUSA-N 0 0 306.362 3.001 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188196591 432711362 /nfs/dbraw/zinc/71/13/62/432711362.db2.gz VZABVPVNPGUXHU-MRXNPFEDSA-N 0 0 302.418 3.342 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000188398247 432723851 /nfs/dbraw/zinc/72/38/51/432723851.db2.gz HZDIVOGUGVKLJE-IBGZPJMESA-N 0 0 316.445 3.383 10 30 DGEERN CC(F)(F)c1cccc(NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000187589923 432671514 /nfs/dbraw/zinc/67/15/14/432671514.db2.gz FZVCMVQKNXBUCW-OAHLLOKOSA-N 0 0 307.344 3.019 10 30 DGEERN CC(F)(F)c1cccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000187589941 432671592 /nfs/dbraw/zinc/67/15/92/432671592.db2.gz FZVCMVQKNXBUCW-HNNXBMFYSA-N 0 0 307.344 3.019 10 30 DGEERN Cc1csc([C@@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187670029 432676130 /nfs/dbraw/zinc/67/61/30/432676130.db2.gz XHNWLXUSNCJSOC-BBRMVZONSA-N 0 0 313.426 3.458 10 30 DGEERN CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000187706714 432678873 /nfs/dbraw/zinc/67/88/73/432678873.db2.gz SLWLPJJKOMWRQO-BBRMVZONSA-N 0 0 307.388 3.281 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187765966 432683557 /nfs/dbraw/zinc/68/35/57/432683557.db2.gz IBGVJTSAESLQHH-ZDUSSCGKSA-N 0 0 322.478 3.474 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187765923 432683674 /nfs/dbraw/zinc/68/36/74/432683674.db2.gz PFLUVZVDBDFCBP-BPUTZDHNSA-N 0 0 322.474 3.210 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)c1cccc(F)c1C#N ZINC000188456251 432727800 /nfs/dbraw/zinc/72/78/00/432727800.db2.gz GQVJWJGJSYQFGL-UHFFFAOYSA-N 0 0 312.344 3.368 10 30 DGEERN Cc1ccc(-c2cc(C(=O)N(C)C3(C#N)CCC3)[nH]n2)c(C)c1 ZINC000188592121 432733716 /nfs/dbraw/zinc/73/37/16/432733716.db2.gz KZQJANUABFNJNQ-UHFFFAOYSA-N 0 0 308.385 3.212 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cc(O)ccc1OC ZINC000188633321 432736070 /nfs/dbraw/zinc/73/60/70/432736070.db2.gz PESVDHATZGRMGT-UHFFFAOYSA-N 0 0 315.344 3.368 10 30 DGEERN N#Cc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000275693959 432740547 /nfs/dbraw/zinc/74/05/47/432740547.db2.gz XDXLRMMVMVFTMI-SFHVURJKSA-N 0 0 306.413 3.497 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188731489 432742043 /nfs/dbraw/zinc/74/20/43/432742043.db2.gz UYBRKQKEGOIOIM-CYBMUJFWSA-N 0 0 317.389 3.036 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160829979 432744192 /nfs/dbraw/zinc/74/41/92/432744192.db2.gz MMKZCYZFWNDBOU-WDEREUQCSA-N 0 0 312.822 3.021 10 30 DGEERN COc1ccc(OCCCNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000162874370 432836282 /nfs/dbraw/zinc/83/62/82/432836282.db2.gz NGCQMNQDJFBHJM-UHFFFAOYSA-N 0 0 324.380 3.074 10 30 DGEERN COc1ccc(C#N)cc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000189439995 432787087 /nfs/dbraw/zinc/78/70/87/432787087.db2.gz OUWVQSCTNHKXQA-UHFFFAOYSA-N 0 0 313.382 3.232 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NCCCc1ccccn1 ZINC000178929343 432789046 /nfs/dbraw/zinc/78/90/46/432789046.db2.gz XWFMBPPYAXBYBX-UHFFFAOYSA-N 0 0 324.384 3.106 10 30 DGEERN N#C[C@@H](NC(=O)c1ccccc1OCc1cccs1)C1CC1 ZINC000161715061 432793438 /nfs/dbraw/zinc/79/34/38/432793438.db2.gz QFCJBHKHGDRIBI-OAHLLOKOSA-N 0 0 312.394 3.359 10 30 DGEERN C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)o2)CCCN1C(=O)OC(C)(C)C ZINC000189523916 432796667 /nfs/dbraw/zinc/79/66/67/432796667.db2.gz FOEHPHWSUMBWGG-DOMZBBRYSA-N 0 0 319.405 3.029 10 30 DGEERN CCc1cccc(CC(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000161899265 432802586 /nfs/dbraw/zinc/80/25/86/432802586.db2.gz DATMFGIQESKBJA-UHFFFAOYSA-N 0 0 307.397 3.129 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1c[nH]c2c1cccc2CC ZINC000277634479 432866351 /nfs/dbraw/zinc/86/63/51/432866351.db2.gz JOHLEZYKOJJCIB-UHFFFAOYSA-N 0 0 306.409 3.052 10 30 DGEERN N#Cc1ccc(N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268364787 432866339 /nfs/dbraw/zinc/86/63/39/432866339.db2.gz DLMYZFVJPSCMCE-CQSZACIVSA-N 0 0 315.354 3.106 10 30 DGEERN C#CCCCCNC(=O)N1CCC(n2c(C)ccc2C)CC1 ZINC000268385300 432868102 /nfs/dbraw/zinc/86/81/02/432868102.db2.gz ZTXWUSMDTLUJRH-UHFFFAOYSA-N 0 0 301.434 3.255 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(OC(C)C)c1 ZINC000268459030 432872554 /nfs/dbraw/zinc/87/25/54/432872554.db2.gz NZIOSBMMQXKPBQ-UHFFFAOYSA-N 0 0 302.296 3.059 10 30 DGEERN N#Cc1ccc([C@H](O)CN2CCCC[C@H]2c2nccs2)cc1 ZINC000245978536 432873156 /nfs/dbraw/zinc/87/31/56/432873156.db2.gz GPOTXNHQENVQQP-JKSUJKDBSA-N 0 0 313.426 3.275 10 30 DGEERN C#CCC(CC#C)C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000277760622 432874928 /nfs/dbraw/zinc/87/49/28/432874928.db2.gz SDURQMUEWRXKIK-HXUWFJFHSA-N 0 0 323.436 3.250 10 30 DGEERN C=C(C)[C@@H](NC(=O)N(C)[C@H]1C[C@@H](OC)C1)c1ccc(F)c(F)c1 ZINC000288147691 432889407 /nfs/dbraw/zinc/88/94/07/432889407.db2.gz LDYMBJBREWKIKD-DVOMOZLQSA-N 0 0 324.371 3.401 10 30 DGEERN C=C(C)[C@H](NC(=O)N(C)[C@H]1C[C@@H](OC)C1)c1ccc(F)c(F)c1 ZINC000288147695 432889503 /nfs/dbraw/zinc/88/95/03/432889503.db2.gz LDYMBJBREWKIKD-ZENOOKHLSA-N 0 0 324.371 3.401 10 30 DGEERN COC1(CNC(=O)c2cn3ccnc3s2)CCC(C)CC1 ZINC000330038471 432890174 /nfs/dbraw/zinc/89/01/74/432890174.db2.gz BMUXWBWZZYILAG-UHFFFAOYSA-N 0 0 307.419 3.296 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000288196258 432890333 /nfs/dbraw/zinc/89/03/33/432890333.db2.gz PDQAJYBVFRJSNN-CABCVRRESA-N 0 0 324.346 3.261 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000288285344 432891478 /nfs/dbraw/zinc/89/14/78/432891478.db2.gz VMRIUHXVYVZWGU-PKOBYXMFSA-N 0 0 321.424 3.496 10 30 DGEERN C=CCCCN(C)C(=O)c1ncoc1-c1ccc(OC)cc1 ZINC000288409110 432891703 /nfs/dbraw/zinc/89/17/03/432891703.db2.gz IRRYVUVBIYMIFV-UHFFFAOYSA-N 0 0 300.358 3.388 10 30 DGEERN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330129228 432894582 /nfs/dbraw/zinc/89/45/82/432894582.db2.gz DWQOTRQOMNETBC-HLPPOEQASA-N 0 0 305.422 3.423 10 30 DGEERN CCc1nnc(N(C)Cc2ccc(Cl)nc2)c(C#N)c1CC ZINC000268149510 432850090 /nfs/dbraw/zinc/85/00/90/432850090.db2.gz KMNCFXAXKAVGLN-UHFFFAOYSA-N 0 0 315.808 3.158 10 30 DGEERN C#Cc1ccc(CNC(=O)c2cnn(C(C)(C)C)c2CC)cc1 ZINC000296553432 432922203 /nfs/dbraw/zinc/92/22/03/432922203.db2.gz ZEMWXVKMZIPIRL-UHFFFAOYSA-N 0 0 309.413 3.112 10 30 DGEERN CC(=O)c1ccc(NC(=O)NC(C)(C)C(C)(C)O)cc1Cl ZINC000330857790 432926386 /nfs/dbraw/zinc/92/63/86/432926386.db2.gz QKWSQLDCEIORLO-UHFFFAOYSA-N 0 0 312.797 3.227 10 30 DGEERN C=CCCCCCCNC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000289163278 432928624 /nfs/dbraw/zinc/92/86/24/432928624.db2.gz WMSPHISBTFREDT-UHFFFAOYSA-N 0 0 305.422 3.340 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N(C)[C@H]1CCSC1 ZINC000289306195 432942828 /nfs/dbraw/zinc/94/28/28/432942828.db2.gz ABHXGMFODOGAQN-ZDUSSCGKSA-N 0 0 318.446 3.283 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000296961571 432943447 /nfs/dbraw/zinc/94/34/47/432943447.db2.gz QGXPMLIDAYXIBN-VSZNYVQBSA-N 0 0 314.429 3.071 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ncnn1C(C)C ZINC000278795341 432901945 /nfs/dbraw/zinc/90/19/45/432901945.db2.gz VOPDLWCSNUIENG-UHFFFAOYSA-N 0 0 302.334 3.075 10 30 DGEERN CCC[C@@H]1C[C@H]1NC(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000330286528 432902023 /nfs/dbraw/zinc/90/20/23/432902023.db2.gz ZYHREOUJNKARTB-VNQPRFMTSA-N 0 0 321.465 3.002 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CCCC[C@H]1CC ZINC000289623727 432968301 /nfs/dbraw/zinc/96/83/01/432968301.db2.gz KBHUBJJNMABKSR-MRXNPFEDSA-N 0 0 311.433 3.219 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)NCCCC(C)(F)F ZINC000297068669 432954137 /nfs/dbraw/zinc/95/41/37/432954137.db2.gz WKPVORRTZIHWAU-UHFFFAOYSA-N 0 0 314.307 3.395 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000297685752 433007281 /nfs/dbraw/zinc/00/72/81/433007281.db2.gz DNBHSIXTVSFOQL-MRXNPFEDSA-N 0 0 316.445 3.247 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000297685745 433007538 /nfs/dbraw/zinc/00/75/38/433007538.db2.gz DNBHSIXTVSFOQL-INIZCTEOSA-N 0 0 316.445 3.247 10 30 DGEERN N#Cc1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1 ZINC000341255670 433008035 /nfs/dbraw/zinc/00/80/35/433008035.db2.gz IZVMJBCTZXUUBM-UHFFFAOYSA-N 0 0 302.381 3.093 10 30 DGEERN C#CCO[C@H](C)c1nc([C@H](OC)c2cccc(Cl)c2)no1 ZINC000297883224 433027663 /nfs/dbraw/zinc/02/76/63/433027663.db2.gz VCFQRGXCVJWTKY-ZWNOBZJWSA-N 0 0 306.749 3.170 10 30 DGEERN C#CCOCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000373061338 433084335 /nfs/dbraw/zinc/08/43/35/433084335.db2.gz WJCISDFCRMXBAG-INIZCTEOSA-N 0 0 305.805 3.434 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O ZINC000419950633 433085765 /nfs/dbraw/zinc/08/57/65/433085765.db2.gz MPRYCQFGAKAYDZ-MRXNPFEDSA-N 0 0 311.385 3.171 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000280651062 433123486 /nfs/dbraw/zinc/12/34/86/433123486.db2.gz KBUCDJQZCOOUCS-BLLLJJGKSA-N 0 0 315.373 3.239 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000280690114 433136524 /nfs/dbraw/zinc/13/65/24/433136524.db2.gz FPSITSGKDIMFIC-PBHICJAKSA-N 0 0 310.401 3.240 10 30 DGEERN Cc1nnc(N2CC[C@@](C)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000373645263 433157250 /nfs/dbraw/zinc/15/72/50/433157250.db2.gz RAOVXIPBCVBTEI-GOSISDBHSA-N 0 0 310.376 3.272 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CCC1 ZINC000373883311 433166033 /nfs/dbraw/zinc/16/60/33/433166033.db2.gz WNJOKPRRZSWDIH-CVEARBPZSA-N 0 0 318.461 3.030 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccccc2F)co1 ZINC000280778015 433169827 /nfs/dbraw/zinc/16/98/27/433169827.db2.gz GNYNVSHDGBILCD-IUODEOHRSA-N 0 0 316.332 3.400 10 30 DGEERN C=CCCCCCN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O ZINC000447322459 433187130 /nfs/dbraw/zinc/18/71/30/433187130.db2.gz FBPAXJXLEQUZQN-KRWDZBQOSA-N 0 0 308.422 3.001 10 30 DGEERN C=CCn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(C)CCCO1 ZINC000453443250 433188315 /nfs/dbraw/zinc/18/83/15/433188315.db2.gz QOJBSLZJCFRYSM-RLFYNMQTSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448867 433190723 /nfs/dbraw/zinc/19/07/23/433190723.db2.gz ZJYJBRRWJGFTKI-KBXCAEBGSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453452852 433194322 /nfs/dbraw/zinc/19/43/22/433194322.db2.gz ULZTTWHSEIWKPO-IBGZPJMESA-N 0 0 324.428 3.138 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](COC)CC1 ZINC000453455098 433194689 /nfs/dbraw/zinc/19/46/89/433194689.db2.gz RXSPFHDXWXOPCT-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@@H]1c1ccc(F)cc1F ZINC000453456881 433195012 /nfs/dbraw/zinc/19/50/12/433195012.db2.gz YWZHNLAZSPIXQC-OAHLLOKOSA-N 0 0 304.344 3.392 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453462511 433197334 /nfs/dbraw/zinc/19/73/34/433197334.db2.gz HBWAHRVEXSAKKR-YOEHRIQHSA-N 0 0 304.438 3.116 10 30 DGEERN C=CC1CCN(c2nnc([C@]3(C)CCCO3)n2CC(C)C)CC1 ZINC000453486299 433204057 /nfs/dbraw/zinc/20/40/57/433204057.db2.gz ZFEGHHRRQJUESZ-SFHVURJKSA-N 0 0 318.465 3.362 10 30 DGEERN CC1(C)CCCC[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000447534227 433217925 /nfs/dbraw/zinc/21/79/25/433217925.db2.gz VQIQVDCVIWUMKV-QGZVFWFLSA-N 0 0 312.413 3.364 10 30 DGEERN CC#CCCNC(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000361529323 433224173 /nfs/dbraw/zinc/22/41/73/433224173.db2.gz XPBUZPOTYXCAOP-UHFFFAOYSA-N 0 0 324.428 3.208 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CC[C@](F)(c2ccccc2)C1)OCC ZINC000374606946 433235878 /nfs/dbraw/zinc/23/58/78/433235878.db2.gz WYSBYWYEBHZUNR-FUHWJXTLSA-N 0 0 305.393 3.455 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000281066608 433259455 /nfs/dbraw/zinc/25/94/55/433259455.db2.gz MEPRVVDWWPZLOR-IVMMDQJWSA-N 0 0 300.402 3.366 10 30 DGEERN C#CCCNC(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C ZINC000374813718 433281992 /nfs/dbraw/zinc/28/19/92/433281992.db2.gz HENSCQOCFCXHQH-UHFFFAOYSA-N 0 0 309.369 3.210 10 30 DGEERN C=CCN(Cc1nn(C)cc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000420897047 433297120 /nfs/dbraw/zinc/29/71/20/433297120.db2.gz ACQBIJRMLAMWDF-UHFFFAOYSA-N 0 0 320.780 3.170 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000425564280 433302913 /nfs/dbraw/zinc/30/29/13/433302913.db2.gz USWWTHXGSBXBBO-KSZLIROESA-N 0 0 314.429 3.064 10 30 DGEERN C=CCC1(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCOCC1 ZINC000425563830 433303108 /nfs/dbraw/zinc/30/31/08/433303108.db2.gz UDOJXKHXNOZVGV-UHFFFAOYSA-N 0 0 304.346 3.215 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000425566466 433305475 /nfs/dbraw/zinc/30/54/75/433305475.db2.gz QHLZSNNSIJWSEK-BQFCYCMXSA-N 0 0 304.434 3.109 10 30 DGEERN C=CCCCNC(=O)Nc1ccccc1CN1CCSCC1 ZINC000448012513 433346993 /nfs/dbraw/zinc/34/69/93/433346993.db2.gz UANHPYYGZKXERS-UHFFFAOYSA-N 0 0 319.474 3.323 10 30 DGEERN C=CCCCNC(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000448029327 433350375 /nfs/dbraw/zinc/35/03/75/433350375.db2.gz GTSCIYDRLZWDML-CQSZACIVSA-N 0 0 304.390 3.174 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1COC ZINC000425748713 433357386 /nfs/dbraw/zinc/35/73/86/433357386.db2.gz HLLYNWQULNRALB-UHFFFAOYSA-N 0 0 307.781 3.420 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(OC(F)F)cc1 ZINC000299300828 433357758 /nfs/dbraw/zinc/35/77/58/433357758.db2.gz OJXGGAHECPXSPT-UHFFFAOYSA-N 0 0 309.234 3.479 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOc1ccccc1F ZINC000299374175 433363802 /nfs/dbraw/zinc/36/38/02/433363802.db2.gz HBVOTYHONXERSS-UHFFFAOYSA-N 0 0 305.271 3.172 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000425880132 433366911 /nfs/dbraw/zinc/36/69/11/433366911.db2.gz RJDVLXGEQJNAMJ-BBRMVZONSA-N 0 0 320.820 3.040 10 30 DGEERN C=C(CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccccc1 ZINC000291835648 433370462 /nfs/dbraw/zinc/37/04/62/433370462.db2.gz GIPCPTODBCAUAX-GOEBONIOSA-N 0 0 306.356 3.387 10 30 DGEERN CC(C)n1ncc2c1[C@@H](NC(=O)c1sccc1C#N)CCC2 ZINC000375156519 433375512 /nfs/dbraw/zinc/37/55/12/433375512.db2.gz BHELMFPWNWMLSQ-ZDUSSCGKSA-N 0 0 314.414 3.205 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000447936413 433328293 /nfs/dbraw/zinc/32/82/93/433328293.db2.gz OYJHGWGIWPXMFE-UHFFFAOYSA-N 0 0 305.399 3.093 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C1(CF)CCOCC1 ZINC000413987161 433337689 /nfs/dbraw/zinc/33/76/89/433337689.db2.gz NAOJOWKBKJWHPQ-INIZCTEOSA-N 0 0 305.393 3.056 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000454440083 433428401 /nfs/dbraw/zinc/42/84/01/433428401.db2.gz SEPYAIOGWBQLSM-HNNXBMFYSA-N 0 0 319.474 3.176 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCc2sccc2[C@@H]1C ZINC000281803457 433385209 /nfs/dbraw/zinc/38/52/09/433385209.db2.gz MVMHCAIAGMDRHJ-ZENOOKHLSA-N 0 0 320.458 3.358 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000425982952 433395843 /nfs/dbraw/zinc/39/58/43/433395843.db2.gz YVNMDYISZVDORE-KURKYZTESA-N 0 0 313.445 3.182 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000425982951 433396074 /nfs/dbraw/zinc/39/60/74/433396074.db2.gz YVNMDYISZVDORE-FGTMMUONSA-N 0 0 313.445 3.182 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000448375158 433403986 /nfs/dbraw/zinc/40/39/86/433403986.db2.gz MNVBMYOFCPCXJS-UHFFFAOYSA-N 0 0 316.332 3.107 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cc(-c2ccccc2F)on1)OCC ZINC000448493377 433411746 /nfs/dbraw/zinc/41/17/46/433411746.db2.gz VNZYYMDAMOIJJH-CQSZACIVSA-N 0 0 318.348 3.791 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000426242718 433445131 /nfs/dbraw/zinc/44/51/31/433445131.db2.gz AQIWKKXSTNUCEO-MRXNPFEDSA-N 0 0 302.418 3.302 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(N)=O)cc1OC(C)C ZINC000421153745 433446895 /nfs/dbraw/zinc/44/68/95/433446895.db2.gz JSQOUONLNQILTC-UHFFFAOYSA-N 0 0 319.405 3.003 10 30 DGEERN CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375467721 433473382 /nfs/dbraw/zinc/47/33/82/433473382.db2.gz ZARUGNNKVSBKEZ-CQSZACIVSA-N 0 0 302.422 3.456 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000448648263 433474922 /nfs/dbraw/zinc/47/49/22/433474922.db2.gz CCFQBUHFVIILLW-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCOCCO ZINC000282038490 433476411 /nfs/dbraw/zinc/47/64/11/433476411.db2.gz KWHBKJVSAUEBEA-UHFFFAOYSA-N 0 0 320.433 3.011 10 30 DGEERN C=CCc1cc(C(=O)OCc2ocnc2C)cc(OC)c1OC ZINC000292147282 433479174 /nfs/dbraw/zinc/47/91/74/433479174.db2.gz FNNPGNIUKPTICN-UHFFFAOYSA-N 0 0 317.341 3.086 10 30 DGEERN C=CCOCCCC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362033818 433500758 /nfs/dbraw/zinc/50/07/58/433500758.db2.gz VUQIFGZQGGKHPE-UHFFFAOYSA-N 0 0 320.820 3.334 10 30 DGEERN Cn1cc(N2CCC[C@@H](Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000301450739 433561955 /nfs/dbraw/zinc/56/19/55/433561955.db2.gz XGWCHYZUFIQGDX-CQSZACIVSA-N 0 0 315.808 3.026 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000426698980 433562936 /nfs/dbraw/zinc/56/29/36/433562936.db2.gz DIUBCMVMCWFFGM-GOSISDBHSA-N 0 0 311.381 3.037 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448818991 433564901 /nfs/dbraw/zinc/56/49/01/433564901.db2.gz RLCGNNUGCIBSGF-ZIAGYGMSSA-N 0 0 308.303 3.271 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C[C@H](C)O)C(C)C)c1 ZINC000362204617 433583068 /nfs/dbraw/zinc/58/30/68/433583068.db2.gz VMFMXWWXDZSVEG-AWEZNQCLSA-N 0 0 306.406 3.265 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000362214722 433586340 /nfs/dbraw/zinc/58/63/40/433586340.db2.gz LYGNYQWYVICWSB-HIFRSBDPSA-N 0 0 318.442 3.129 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000448883064 433591936 /nfs/dbraw/zinc/59/19/36/433591936.db2.gz FMNGROQXWDQZGQ-UHFFFAOYSA-N 0 0 301.777 3.215 10 30 DGEERN CCCC[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000161146818 292829463 /nfs/dbraw/zinc/82/94/63/292829463.db2.gz MQDNDRVCQXENMK-OAHLLOKOSA-N 0 0 316.401 3.189 10 30 DGEERN C=CCOc1ccc(C[NH2+]CCc2ccccc2C(=O)[O-])cc1 ZINC000426649926 433548063 /nfs/dbraw/zinc/54/80/63/433548063.db2.gz YRTLRKUNSTZHDV-UHFFFAOYSA-N 0 0 311.381 3.282 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)C[C@H]1CCOC[C@H]1OC ZINC000448971289 433638467 /nfs/dbraw/zinc/63/84/67/433638467.db2.gz TXVZOGJFFXDBTP-IAGOWNOFSA-N 0 0 309.450 3.023 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000356581699 433615974 /nfs/dbraw/zinc/61/59/74/433615974.db2.gz HBKZRNMFHBPIHW-MRXNPFEDSA-N 0 0 321.392 3.008 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC000421536273 433616526 /nfs/dbraw/zinc/61/65/26/433616526.db2.gz NQNNJHCNHSRVNR-CZUORRHYSA-N 0 0 302.418 3.090 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414508903 433673978 /nfs/dbraw/zinc/67/39/78/433673978.db2.gz AFMNAMNFFWFMFV-OAHLLOKOSA-N 0 0 318.465 3.058 10 30 DGEERN CCN(CC(C)(C)C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000362386639 433682701 /nfs/dbraw/zinc/68/27/01/433682701.db2.gz HTAUERBRFFLEED-KRWDZBQOSA-N 0 0 310.438 3.143 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](c2nccs2)c2ccccc2)n1 ZINC000376233095 433699144 /nfs/dbraw/zinc/69/91/44/433699144.db2.gz XRJJCJISUFOHSX-CQSZACIVSA-N 0 0 307.382 3.315 10 30 DGEERN N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000371271868 293207853 /nfs/dbraw/zinc/20/78/53/293207853.db2.gz WXIMOIWUDMZWAT-SNVBAGLBSA-N 0 0 321.306 3.079 10 30 DGEERN Cc1cc(N(C)CC(=O)Nc2c(C)cccc2C)c(C#N)c(C)n1 ZINC000301756497 433708090 /nfs/dbraw/zinc/70/80/90/433708090.db2.gz DSDVWBMSAAFESA-UHFFFAOYSA-N 0 0 322.412 3.262 10 30 DGEERN COc1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1C#N ZINC000374182785 293363385 /nfs/dbraw/zinc/36/33/85/293363385.db2.gz KOFRRBRWFMOCAJ-QGZVFWFLSA-N 0 0 310.401 3.028 10 30 DGEERN Cn1c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2ccc1=O ZINC000362461585 433729119 /nfs/dbraw/zinc/72/91/19/433729119.db2.gz WXYDXJTWZBKRCP-UHFFFAOYSA-N 0 0 318.336 3.054 10 30 DGEERN CC(C)[C@H](Nc1cccc(C#N)n1)c1nc(-c2cccnc2)no1 ZINC000301813742 433737994 /nfs/dbraw/zinc/73/79/94/433737994.db2.gz CJYNYCFFNCNLAU-HNNXBMFYSA-N 0 0 320.356 3.207 10 30 DGEERN N#Cc1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)ccc1F ZINC000339775037 433776717 /nfs/dbraw/zinc/77/67/17/433776717.db2.gz DEMOZRQDDUMRQC-FUHWJXTLSA-N 0 0 314.335 3.144 10 30 DGEERN C=C[C@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362590834 433778969 /nfs/dbraw/zinc/77/89/69/433778969.db2.gz ZGGBNTLXKUELME-STQMWFEESA-N 0 0 317.389 3.135 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C)n2[C@H](C)CO ZINC000456730534 433797582 /nfs/dbraw/zinc/79/75/82/433797582.db2.gz UURSHFRFABJRIZ-CHWSQXEVSA-N 0 0 315.417 3.439 10 30 DGEERN C=CC[C@H](CO)Nc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000302115183 433813537 /nfs/dbraw/zinc/81/35/37/433813537.db2.gz CIXVJYBQEAKLEC-CYBMUJFWSA-N 0 0 306.369 3.017 10 30 DGEERN C=C(CC)CNC(=O)c1cccc(COC2CCOCC2)c1 ZINC000456813275 433838359 /nfs/dbraw/zinc/83/83/59/433838359.db2.gz QBULGEIONYMKHR-UHFFFAOYSA-N 0 0 303.402 3.078 10 30 DGEERN C=CCNC(=O)c1ccc(N(Cc2ccccc2)C2CC2)nc1 ZINC000362733742 433841676 /nfs/dbraw/zinc/84/16/76/433841676.db2.gz KRTIFSIQRKYIQK-UHFFFAOYSA-N 0 0 307.397 3.166 10 30 DGEERN C[C@]1(c2ccccc2)CC[C@H](N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377011095 433844276 /nfs/dbraw/zinc/84/42/76/433844276.db2.gz XLUMUUAURPXXPN-UFYCRDLUSA-N 0 0 309.457 3.169 10 30 DGEERN Cc1ccc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)nc1C#N ZINC000302738582 433848460 /nfs/dbraw/zinc/84/84/60/433848460.db2.gz BTROVUKHMPJKSL-FZMZJTMJSA-N 0 0 313.323 3.157 10 30 DGEERN N#CCCCOc1cccnc1NC(=O)N1CCCC12CCC2 ZINC000377292709 433853795 /nfs/dbraw/zinc/85/37/95/433853795.db2.gz TTWAZEZYVHZXPR-UHFFFAOYSA-N 0 0 314.389 3.315 10 30 DGEERN CSc1cccc(C(=O)N[C@@](C)(C#N)CC(C)C)c1[N+](=O)[O-] ZINC000362816772 433871841 /nfs/dbraw/zinc/87/18/41/433871841.db2.gz FEOJRYKMXBGDAN-OAHLLOKOSA-N 0 0 321.402 3.375 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cnc(OCC2CC2)cn1 ZINC000284481284 433900214 /nfs/dbraw/zinc/90/02/14/433900214.db2.gz ZBOPYGBSYFMUOC-UHFFFAOYSA-N 0 0 323.396 3.094 10 30 DGEERN C#CC[C@H](Cc1ccccc1)N[C@@H](C(=O)OC)c1ccsc1 ZINC000285241574 433923945 /nfs/dbraw/zinc/92/39/45/433923945.db2.gz WBTVQDFQISYYDV-IAGOWNOFSA-N 0 0 313.422 3.186 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CS(=O)(=O)CC)cc1 ZINC000457010488 433931675 /nfs/dbraw/zinc/93/16/75/433931675.db2.gz GLMAFVLYUFQTHA-CYBMUJFWSA-N 0 0 309.431 3.162 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000436358854 433946651 /nfs/dbraw/zinc/94/66/51/433946651.db2.gz CMXNMPAYAWUZNS-LXZKKBNFSA-N 0 0 318.417 3.497 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000285549766 433987345 /nfs/dbraw/zinc/98/73/45/433987345.db2.gz AOEPWMRUKISUAE-LLVKDONJSA-N 0 0 305.403 3.359 10 30 DGEERN Cc1ccc2c(CC(=O)Nc3cc(C#N)ccn3)coc2c1C ZINC000357423650 434006088 /nfs/dbraw/zinc/00/60/88/434006088.db2.gz IKTPVLQWKGUUND-UHFFFAOYSA-N 0 0 305.337 3.498 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CCc1nc(-c2ccccc2)no1 ZINC000285765053 434065178 /nfs/dbraw/zinc/06/51/78/434065178.db2.gz KTNNQAMLPQBQGB-AWEZNQCLSA-N 0 0 313.401 3.340 10 30 DGEERN CC[C@H](CO)Nc1c(Br)cc(Cl)cc1C#N ZINC000309918468 434101695 /nfs/dbraw/zinc/10/16/95/434101695.db2.gz QSHSXTXPGANENU-SECBINFHSA-N 0 0 303.587 3.157 10 30 DGEERN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(C#N)ccn1 ZINC000282880735 294391809 /nfs/dbraw/zinc/39/18/09/294391809.db2.gz FHPRYYWBPCLHPX-QGZVFWFLSA-N 0 0 308.385 3.049 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000346186091 434185291 /nfs/dbraw/zinc/18/52/91/434185291.db2.gz QGSAUPQJMXKRCH-FZKCQIBNSA-N 0 0 309.450 3.068 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)nc1C(C)(C)C ZINC000286410678 434262717 /nfs/dbraw/zinc/26/27/17/434262717.db2.gz ASNAMKPDHNEPKJ-INIZCTEOSA-N 0 0 323.440 3.082 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(F)c(CSC)c1 ZINC000437483057 434268509 /nfs/dbraw/zinc/26/85/09/434268509.db2.gz KRMNSOQNNXZETG-CZUORRHYSA-N 0 0 323.433 3.400 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC000437509260 434273958 /nfs/dbraw/zinc/27/39/58/434273958.db2.gz UMMJVYNLSQKMTD-IEBWSBKVSA-N 0 0 301.430 3.415 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1ccccc1OCC ZINC000437512947 434274190 /nfs/dbraw/zinc/27/41/90/434274190.db2.gz FSDPUXSMPKXENS-QFBILLFUSA-N 0 0 317.429 3.115 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000437521226 434278880 /nfs/dbraw/zinc/27/88/80/434278880.db2.gz DYARDGDQPFSXDU-RHSMWYFYSA-N 0 0 317.433 3.168 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000364621299 434279355 /nfs/dbraw/zinc/27/93/55/434279355.db2.gz HEZQYWPPEXIACG-XJKSGUPXSA-N 0 0 308.447 3.174 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1F ZINC000437520141 434279638 /nfs/dbraw/zinc/27/96/38/434279638.db2.gz PUYJTBKPCIGSAT-CJNGLKHVSA-N 0 0 305.393 3.201 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1COC ZINC000286625799 434281028 /nfs/dbraw/zinc/28/10/28/434281028.db2.gz CNLSGWWWVLPNEL-SFHVURJKSA-N 0 0 307.393 3.197 10 30 DGEERN C=CCN(C(=O)C1(c2ccc(F)cc2F)CCOCC1)C1CC1 ZINC000347895438 434281121 /nfs/dbraw/zinc/28/11/21/434281121.db2.gz FECFWAVYYKKBJU-UHFFFAOYSA-N 0 0 321.367 3.190 10 30 DGEERN COc1ccccc1COC1CCN(c2ccncc2C#N)CC1 ZINC000364779017 434281369 /nfs/dbraw/zinc/28/13/69/434281369.db2.gz QNHBBOHYXHDVLZ-UHFFFAOYSA-N 0 0 323.396 3.147 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCCOC(C)C ZINC000286662899 434281747 /nfs/dbraw/zinc/28/17/47/434281747.db2.gz DYLVXXXWAOYTRD-SFHVURJKSA-N 0 0 316.445 3.125 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)noc1C(C)C ZINC000286646773 434282189 /nfs/dbraw/zinc/28/21/89/434282189.db2.gz DMFPJNKRXOCQEB-INIZCTEOSA-N 0 0 310.397 3.471 10 30 DGEERN CC(C)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000365238045 434291104 /nfs/dbraw/zinc/29/11/04/434291104.db2.gz FRYJDVABSCFEMR-KRWDZBQOSA-N 0 0 312.417 3.014 10 30 DGEERN Cc1ccc(CCC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)o1 ZINC000328645515 434292023 /nfs/dbraw/zinc/29/20/23/434292023.db2.gz ZSXYGYJZIGWRRU-DOTOQJQBSA-N 0 0 317.389 3.131 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](C)CC1)CCC2 ZINC000328657435 434297137 /nfs/dbraw/zinc/29/71/37/434297137.db2.gz OZPBFRHKGYGYTF-ZFWWWQNUSA-N 0 0 304.438 3.105 10 30 DGEERN C[C@H](C(=O)NCc1cccs1)N1CCC[C@H](n2cccn2)C1 ZINC000328680748 434297864 /nfs/dbraw/zinc/29/78/64/434297864.db2.gz CDOVMTCVKSTYKW-KGLIPLIRSA-N 0 0 318.446 3.127 10 30 DGEERN C[C@H](NC(=O)CN1CCC[C@@H](n2cccn2)C1)c1cccs1 ZINC000328700677 434299849 /nfs/dbraw/zinc/29/98/49/434299849.db2.gz MWDHGCPIXCBOGA-UONOGXRCSA-N 0 0 318.446 3.299 10 30 DGEERN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1nnc2ccccn21 ZINC000328770153 434310182 /nfs/dbraw/zinc/31/01/82/434310182.db2.gz GPVDEDANLXXXKS-NWDGAFQWSA-N 0 0 315.377 3.036 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(CCC)nn1C ZINC000287254969 434312412 /nfs/dbraw/zinc/31/24/12/434312412.db2.gz XMXNDHULFNGLIE-INIZCTEOSA-N 0 0 324.428 3.129 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccccn1 ZINC000287246171 434312596 /nfs/dbraw/zinc/31/25/96/434312596.db2.gz GOXUUAKMBSSKGH-GOSISDBHSA-N 0 0 321.424 3.248 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@@H]1c1nccs1 ZINC000328812111 434315604 /nfs/dbraw/zinc/31/56/04/434315604.db2.gz BFLXIQXEFHFNCH-MGPQQGTHSA-N 0 0 321.446 3.152 10 30 DGEERN C=CCC[C@H](CO)NC(=O)NCCc1cccc2ccccc21 ZINC000457743812 434326423 /nfs/dbraw/zinc/32/64/23/434326423.db2.gz RBNMLJJSEFDHLI-QGZVFWFLSA-N 0 0 312.413 3.009 10 30 DGEERN O=C(N[C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1OCCc2ccccc21 ZINC000329169609 434369388 /nfs/dbraw/zinc/36/93/88/434369388.db2.gz JEXKEZAFQHVOSD-RCCFBDPRSA-N 0 0 324.380 3.182 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@]1(C)c1ccccc1OC ZINC000438017316 434382685 /nfs/dbraw/zinc/38/26/85/434382685.db2.gz UNTLTHDBGSWJLH-QXAKKESOSA-N 0 0 317.429 3.070 10 30 DGEERN C=CCN(CC=C)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000366104361 434337243 /nfs/dbraw/zinc/33/72/43/434337243.db2.gz DFJJURODBKOMRD-SJORKVTESA-N 0 0 300.402 3.290 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)c1ccncc1 ZINC000287387018 434347699 /nfs/dbraw/zinc/34/76/99/434347699.db2.gz NEMTYZGCLHHBRV-MOPGFXCFSA-N 0 0 321.424 3.467 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000295930583 434442845 /nfs/dbraw/zinc/44/28/45/434442845.db2.gz HDXKOZHYYRPFBP-QMMMGPOBSA-N 0 0 308.592 3.314 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(F)cc1C ZINC000438075520 434396719 /nfs/dbraw/zinc/39/67/19/434396719.db2.gz OQEQBHKAONSWSU-WMLDXEAASA-N 0 0 320.408 3.257 10 30 DGEERN C#CCC1(C(=O)N2CCC(n3cncc3C)CC2)CCCCC1 ZINC000366402346 434407037 /nfs/dbraw/zinc/40/70/37/434407037.db2.gz UIYKDUDYHJNXQX-UHFFFAOYSA-N 0 0 313.445 3.329 10 30 DGEERN Cc1noc(C)c1NC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329439403 434409039 /nfs/dbraw/zinc/40/90/39/434409039.db2.gz MPYSFCIBXAZXAF-AWEZNQCLSA-N 0 0 307.394 3.118 10 30 DGEERN C=CCOCC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000359448560 434418228 /nfs/dbraw/zinc/41/82/28/434418228.db2.gz XPTPYGCVVQELFI-KRWDZBQOSA-N 0 0 309.356 3.278 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCCO2)C12CCCC2 ZINC000329496621 434422447 /nfs/dbraw/zinc/42/24/47/434422447.db2.gz GCUUYVDBTASBOK-HRCADAONSA-N 0 0 324.465 3.139 10 30 DGEERN O=C(NCC1CCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329546008 434430589 /nfs/dbraw/zinc/43/05/89/434430589.db2.gz HCAQUPSPMVNCNM-JYJNAYRXSA-N 0 0 314.433 3.371 10 30 DGEERN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCOc2ccc(Cl)cc21 ZINC000329578568 434437755 /nfs/dbraw/zinc/43/77/55/434437755.db2.gz PBHUOXDGKBEVGW-UHTWSYAYSA-N 0 0 307.777 3.100 10 30 DGEERN CC(=O)NC1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000329598715 434439814 /nfs/dbraw/zinc/43/98/14/434439814.db2.gz JMKXSJFQYRMEBA-GPANFISMSA-N 0 0 319.449 3.453 10 30 DGEERN Cc1cc(C#N)nc(N2CC(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000450880042 434460290 /nfs/dbraw/zinc/46/02/90/434460290.db2.gz KUBCIZOSHFEFOJ-UHFFFAOYSA-N 0 0 318.302 3.279 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000417606181 434462052 /nfs/dbraw/zinc/46/20/52/434462052.db2.gz DCVAKLFPYMMQME-GFCCVEGCSA-N 0 0 316.170 3.097 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cccc(F)c1Br ZINC000417605879 434463126 /nfs/dbraw/zinc/46/31/26/434463126.db2.gz CPRFXPJCYWPGQY-JTQLQIEISA-N 0 0 316.170 3.097 10 30 DGEERN N#Cc1c(NC(=O)c2ccc3c(n2)CCCC3)n[nH]c1C1CC1 ZINC000329323072 294864830 /nfs/dbraw/zinc/86/48/30/294864830.db2.gz UXNUSKHBFLCBBJ-UHFFFAOYSA-N 0 0 307.357 3.069 10 30 DGEERN O=C(NCc1noc2c1CCCC2)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329749833 434472788 /nfs/dbraw/zinc/47/27/88/434472788.db2.gz UNRGNRUMKMBDGV-INIZCTEOSA-N 0 0 315.417 3.232 10 30 DGEERN C=CCOc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1OC ZINC000438373241 434473917 /nfs/dbraw/zinc/47/39/17/434473917.db2.gz JFPLIJSCLPZURD-SOUVJXGZSA-N 0 0 305.418 3.258 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000417628547 434474998 /nfs/dbraw/zinc/47/49/98/434474998.db2.gz QXEUECYWOUTFEY-CYBMUJFWSA-N 0 0 313.344 3.414 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458049713 434456889 /nfs/dbraw/zinc/45/68/89/434456889.db2.gz UTMMLDQFSMPJHP-WCQYABFASA-N 0 0 309.431 3.040 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000417604319 434456871 /nfs/dbraw/zinc/45/68/71/434456871.db2.gz BINFSFBUZYHOLX-SNVBAGLBSA-N 0 0 319.735 3.450 10 30 DGEERN N#Cc1cnc(N2CCOc3cccc(F)c3C2)c(Cl)c1 ZINC000367169026 434541183 /nfs/dbraw/zinc/54/11/83/434541183.db2.gz ADVSLFZHQVKDNN-UHFFFAOYSA-N 0 0 303.724 3.145 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408203271 434551316 /nfs/dbraw/zinc/55/13/16/434551316.db2.gz CFKMTLZQLREMKU-GDBMZVCRSA-N 0 0 315.417 3.128 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408203280 434551423 /nfs/dbraw/zinc/55/14/23/434551423.db2.gz CFKMTLZQLREMKU-ZBFHGGJFSA-N 0 0 315.417 3.128 10 30 DGEERN Cc1cc(C#N)nc(NCc2ccccc2OC2CCCC2)n1 ZINC000439104325 434565878 /nfs/dbraw/zinc/56/58/78/434565878.db2.gz BKRVAECPCOGTGE-UHFFFAOYSA-N 0 0 308.385 3.590 10 30 DGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@]1(C#N)CC12CCCC2 ZINC000451339244 434566495 /nfs/dbraw/zinc/56/64/95/434566495.db2.gz ZWHGELILCSQALZ-JTNHKYCSSA-N 0 0 300.324 3.260 10 30 DGEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C(C)(C)C1 ZINC000408302235 434561909 /nfs/dbraw/zinc/56/19/09/434561909.db2.gz XYQJLDPYHSMQRY-SNVBAGLBSA-N 0 0 312.822 3.021 10 30 DGEERN CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408405325 434571234 /nfs/dbraw/zinc/57/12/34/434571234.db2.gz QLUWFYHNOVNZIU-LLVKDONJSA-N 0 0 312.460 3.209 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000368421788 434573485 /nfs/dbraw/zinc/57/34/85/434573485.db2.gz HJLIHOZHJPOTIH-CVEARBPZSA-N 0 0 307.397 3.414 10 30 DGEERN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000408437701 434575902 /nfs/dbraw/zinc/57/59/02/434575902.db2.gz XUDOHVNKYBRXEI-QWHCGFSZSA-N 0 0 301.390 3.467 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](C)[C@H](O)C3)c2c1 ZINC000408453446 434579129 /nfs/dbraw/zinc/57/91/29/434579129.db2.gz RSCSZFVDNDZJBE-SCLBCKFNSA-N 0 0 309.413 3.437 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCC[C@H]1Cn1ccnc1 ZINC000330249185 295383218 /nfs/dbraw/zinc/38/32/18/295383218.db2.gz MMRGDWAXBPVNTN-HZMVEIRTSA-N 0 0 316.449 3.230 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000370667704 434616569 /nfs/dbraw/zinc/61/65/69/434616569.db2.gz PASGTXGLOCDLJZ-QZTJIDSGSA-N 0 0 314.429 3.077 10 30 DGEERN C=CCn1c(SC[C@@H](OC)C2CC2)nnc1-c1ccncc1 ZINC000424090366 434619217 /nfs/dbraw/zinc/61/92/17/434619217.db2.gz IYMSLYLDLRYXMA-CQSZACIVSA-N 0 0 316.430 3.043 10 30 DGEERN C=CCn1c(SC[C@H](OC)C2CC2)nc2ccccc2c1=O ZINC000424103387 434622734 /nfs/dbraw/zinc/62/27/34/434622734.db2.gz 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ZINC000371647376 434732539 /nfs/dbraw/zinc/73/25/39/434732539.db2.gz RZXCBKATEYRZRV-HNNXBMFYSA-N 0 0 310.344 3.014 10 30 DGEERN C=CCN(C(=O)[C@@H](C)C1CCC1)c1nc(C(=O)OCC)cs1 ZINC000460029548 434739043 /nfs/dbraw/zinc/73/90/43/434739043.db2.gz BUHZBMJHHPKBRU-NSHDSACASA-N 0 0 322.430 3.275 10 30 DGEERN C=CCC1(C(=O)N(C)CCOc2ccccc2F)CCOCC1 ZINC000424555371 434740985 /nfs/dbraw/zinc/74/09/85/434740985.db2.gz FMRSTQGJXUSEAI-UHFFFAOYSA-N 0 0 321.392 3.036 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CCOCC1 ZINC000424608736 434757543 /nfs/dbraw/zinc/75/75/43/434757543.db2.gz NNKRWDJBOVLZEB-OAHLLOKOSA-N 0 0 319.376 3.138 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(F)c(Cl)c2)CCOCC1 ZINC000424635822 434765567 /nfs/dbraw/zinc/76/55/67/434765567.db2.gz HGGRBNRRXKVNFF-UHFFFAOYSA-N 0 0 311.784 3.468 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)CCc2ccc(C)o2)CCOCC1 ZINC000424690997 434780759 /nfs/dbraw/zinc/78/07/59/434780759.db2.gz MMXJXQQTXKGQIO-CQSZACIVSA-N 0 0 305.418 3.398 10 30 DGEERN 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309.450 3.072 10 30 DGEERN C=CCC1(C(=O)NCc2c(F)cc(F)cc2F)CCOCC1 ZINC000424852656 434816797 /nfs/dbraw/zinc/81/67/97/434816797.db2.gz OMPMCQLBIWHNAH-UHFFFAOYSA-N 0 0 313.319 3.093 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CC23CCSCC3)CCOCC1 ZINC000424874204 434821388 /nfs/dbraw/zinc/82/13/88/434821388.db2.gz BPDRZRHFMWFESX-AWEZNQCLSA-N 0 0 309.475 3.009 10 30 DGEERN C=CCOc1ccc(Cc2nc([C@H]3CCOC[C@H]3C)no2)cc1 ZINC000453173329 434822040 /nfs/dbraw/zinc/82/20/40/434822040.db2.gz LYIXOLLDJDOPDH-CJNGLKHVSA-N 0 0 314.385 3.365 10 30 DGEERN Cc1cccc(C2(c3noc(-c4ccc(C#N)n4C)n3)CC2)c1 ZINC000453186434 434826034 /nfs/dbraw/zinc/82/60/34/434826034.db2.gz WFQJORWAJLKQIP-UHFFFAOYSA-N 0 0 304.353 3.335 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000424902027 434827347 /nfs/dbraw/zinc/82/73/47/434827347.db2.gz HPARCUSYUYUHNE-YDHLFZDLSA-N 0 0 323.820 3.123 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C1CC1 ZINC000424935289 434830015 /nfs/dbraw/zinc/83/00/15/434830015.db2.gz 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COC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1C(F)F ZINC000575343763 435029979 /nfs/dbraw/zinc/02/99/79/435029979.db2.gz HLUSRZUFBCAPPP-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@]1(C)Br ZINC000528984529 435030990 /nfs/dbraw/zinc/03/09/90/435030990.db2.gz GDUAQFNZNJIOKP-OCCSQVGLSA-N 0 0 312.207 3.010 10 30 DGEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1OC(F)(F)F ZINC000575345183 435030996 /nfs/dbraw/zinc/03/09/96/435030996.db2.gz DGEKWDGHBVTBJX-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN COC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1C(F)(F)F ZINC000575379819 435031825 /nfs/dbraw/zinc/03/18/25/435031825.db2.gz KNVKCROLLKNNTB-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN CCOC(=O)Cc1ccc(C(F)F)c(OC(F)F)c1C#N ZINC000575385453 435034589 /nfs/dbraw/zinc/03/45/89/435034589.db2.gz RNGKULRMUVWBTB-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000574723392 434999944 /nfs/dbraw/zinc/99/99/44/434999944.db2.gz FKMVCXZUIPTUDP-KRWDZBQOSA-N 0 0 302.418 3.231 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CSC1(C)C ZINC000575067698 435004917 /nfs/dbraw/zinc/00/49/17/435004917.db2.gz DCSTXYGZTOXSGS-OAHLLOKOSA-N 0 0 320.458 3.287 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc([C@H](Cc2ccccc2)OC)no1 ZINC000556449919 435008600 /nfs/dbraw/zinc/00/86/00/435008600.db2.gz RKEVZFDQOBKVEM-OWCLPIDISA-N 0 0 314.385 3.448 10 30 DGEERN N#Cc1cccc(CC(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000530911232 435059153 /nfs/dbraw/zinc/05/91/53/435059153.db2.gz TZNNUWOSOSNJKQ-UHFFFAOYSA-N 0 0 308.356 3.431 10 30 DGEERN CC[C@@H](CNc1nc(C)cc(C#N)n1)Oc1ccccc1Cl ZINC000557624515 435060860 /nfs/dbraw/zinc/06/08/60/435060860.db2.gz QCWLCPPQWICHIU-ZDUSSCGKSA-N 0 0 316.792 3.580 10 30 DGEERN N#Cc1cccc(CC(=O)N(Cc2cccc(O)c2)CC2CC2)c1 ZINC000530919225 435061562 /nfs/dbraw/zinc/06/15/62/435061562.db2.gz NQVPDLNCUWQKSV-UHFFFAOYSA-N 0 0 320.392 3.245 10 30 DGEERN CC(=O)Nc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1C ZINC000531146276 435074135 /nfs/dbraw/zinc/07/41/35/435074135.db2.gz LNPYSRCCQVUMOY-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000466407296 435076837 /nfs/dbraw/zinc/07/68/37/435076837.db2.gz WJCPHJXLADWJOY-WKILWMFISA-N 0 0 302.418 3.085 10 30 DGEERN N#Cc1cccc(CC(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000531219787 435079368 /nfs/dbraw/zinc/07/93/68/435079368.db2.gz RALYASUNKWMSKN-UHFFFAOYSA-N 0 0 310.319 3.292 10 30 DGEERN COC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1C(F)F ZINC000575387439 435034723 /nfs/dbraw/zinc/03/47/23/435034723.db2.gz NXBFJCDICOTJQE-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)c1ccc(SC(F)(F)F)c([N+](=O)[O-])c1C#N ZINC000575394253 435035052 /nfs/dbraw/zinc/03/50/52/435035052.db2.gz QQCDEUINLAIVKJ-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1c(C#N)cc(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000575394729 435035197 /nfs/dbraw/zinc/03/51/97/435035197.db2.gz UJEQSWDKHVHSQU-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1c(C#N)c(SC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575393457 435035368 /nfs/dbraw/zinc/03/53/68/435035368.db2.gz ASVPGUMGEJSLAD-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575393544 435035502 /nfs/dbraw/zinc/03/55/02/435035502.db2.gz GPRZVJBISJDWLD-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529258347 435035553 /nfs/dbraw/zinc/03/55/53/435035553.db2.gz SASOZKKXTKXJQV-SNVBAGLBSA-N 0 0 315.339 3.323 10 30 DGEERN CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1SC(F)(F)F ZINC000575394242 435035637 /nfs/dbraw/zinc/03/56/37/435035637.db2.gz QDFYDEMODUFDNC-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1c(SC(F)(F)F)ccc(OC)c1C#N ZINC000575394202 435035850 /nfs/dbraw/zinc/03/58/50/435035850.db2.gz HFJHXMDWVZUKCF-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)Cc1c(F)c(C#N)ccc1SC(F)(F)F ZINC000575390588 435035893 /nfs/dbraw/zinc/03/58/93/435035893.db2.gz BGSPLAQYHFVICZ-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1ccc([N+](=O)[O-])c(SC(F)(F)F)c1C#N ZINC000575394882 435036192 /nfs/dbraw/zinc/03/61/92/435036192.db2.gz YATOJZLATYTOMU-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCc1cc(C#N)c(OC(F)F)cc1I ZINC000575654335 435038462 /nfs/dbraw/zinc/03/84/62/435038462.db2.gz BANNRUWKTVENFV-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1cc(C#N)c(I)cc1OC(F)F ZINC000575655294 435039067 /nfs/dbraw/zinc/03/90/67/435039067.db2.gz KYDASGIVNWDJNV-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1cc(I)c(OC(F)F)cc1C#N ZINC000575657062 435039471 /nfs/dbraw/zinc/03/94/71/435039471.db2.gz ZRUCSAOEHIINNG-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(OC(F)F)c(CC#N)cc1I ZINC000575663577 435039588 /nfs/dbraw/zinc/03/95/88/435039588.db2.gz BOMZWTGGDRMVQY-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(I)c(OC(F)F)cc1CC#N ZINC000575663965 435041033 /nfs/dbraw/zinc/04/10/33/435041033.db2.gz QPVQBEYEDOXARL-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN N#CCc1cc(I)cc(C(F)F)c1F ZINC000575668713 435042168 /nfs/dbraw/zinc/04/21/68/435042168.db2.gz UKCYPWJTEOWQFL-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN C=CC(C)(C)CCN1C(=O)[C@@H](C)N(Cc2ccccc2)C1=O ZINC000530194166 435043318 /nfs/dbraw/zinc/04/33/18/435043318.db2.gz GNVOJHJAZYWQAZ-CQSZACIVSA-N 0 0 300.402 3.442 10 30 DGEERN N#CCc1cc(Br)cc([N+](=O)[O-])c1Br ZINC000575693553 435045739 /nfs/dbraw/zinc/04/57/39/435045739.db2.gz ACBDKLSIRRMHCB-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN COC(=O)c1cc(NC(=O)Cc2cccc(C#N)c2)c(C)cc1C ZINC000530520459 435046344 /nfs/dbraw/zinc/04/63/44/435046344.db2.gz QFJWUSXXHZGBAQ-UHFFFAOYSA-N 0 0 322.364 3.143 10 30 DGEERN CCOc1cc(I)c(C)c(CC#N)c1 ZINC000575698004 435046565 /nfs/dbraw/zinc/04/65/65/435046565.db2.gz XFAZOAMLEZYQRV-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CCOc1cc(CC)c(I)c(CC#N)c1 ZINC000575696112 435046994 /nfs/dbraw/zinc/04/69/94/435046994.db2.gz LGCCPLNLSHQSEJ-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)Cc1ccco1 ZINC000576226729 435054176 /nfs/dbraw/zinc/05/41/76/435054176.db2.gz UGJAQNUUIMNZQI-UHFFFAOYSA-N 0 0 315.402 3.125 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000576456751 435056155 /nfs/dbraw/zinc/05/61/55/435056155.db2.gz BWQTVXOZRKQQBZ-MGPQQGTHSA-N 0 0 313.401 3.369 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000576586119 435057511 /nfs/dbraw/zinc/05/75/11/435057511.db2.gz NGEMSVBWLMNCLN-UONOGXRCSA-N 0 0 309.450 3.415 10 30 DGEERN C=CCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000466782253 435092267 /nfs/dbraw/zinc/09/22/67/435092267.db2.gz JGKSDYHHUVZFMF-HZPDHXFCSA-N 0 0 321.852 3.303 10 30 DGEERN CCCCc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1 ZINC000558923118 435115714 /nfs/dbraw/zinc/11/57/14/435115714.db2.gz SUEYBUOPSVKFBO-OAHLLOKOSA-N 0 0 311.433 3.265 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC000558964410 435116858 /nfs/dbraw/zinc/11/68/58/435116858.db2.gz HPKCLGBGWQWULH-MRXNPFEDSA-N 0 0 320.481 3.304 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@H](CCC)C1 ZINC000558984703 435117971 /nfs/dbraw/zinc/11/79/71/435117971.db2.gz YOPKVLLLGMQRRE-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN CC(C)(NC(=O)Cc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000559308837 435128053 /nfs/dbraw/zinc/12/80/53/435128053.db2.gz LBXJAGUORZYOLH-UHFFFAOYSA-N 0 0 314.335 3.430 10 30 DGEERN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Cc1cccc(C#N)c1 ZINC000532012215 435134643 /nfs/dbraw/zinc/13/46/43/435134643.db2.gz VBRXSSQWBBVBQC-DLBZAZTESA-N 0 0 314.429 3.153 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)c2nc(C)cc(C#N)n2)C1(CC)CC ZINC000561223628 435207030 /nfs/dbraw/zinc/20/70/30/435207030.db2.gz CIWIRFXEABMCBB-HUUCEWRRSA-N 0 0 302.422 3.077 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000580187734 435210914 /nfs/dbraw/zinc/21/09/14/435210914.db2.gz ZGSAMMDILQYVBT-JQFCIGGWSA-N 0 0 318.392 3.093 10 30 DGEERN C=CC[C@H](C(=O)N1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000563173364 435265969 /nfs/dbraw/zinc/26/59/69/435265969.db2.gz AQJHIARHFCUGMH-FUHWJXTLSA-N 0 0 317.454 3.081 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000563172615 435266789 /nfs/dbraw/zinc/26/67/89/435266789.db2.gz IIGHRXHHMCDPNO-WBVHZDCISA-N 0 0 323.440 3.383 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000563402519 435267711 /nfs/dbraw/zinc/26/77/11/435267711.db2.gz FMJXXEHSNGCDGF-SJORKVTESA-N 0 0 320.477 3.278 10 30 DGEERN CC1(C#N)CCN(C(=O)NCC(F)(F)c2ccccc2)CC1 ZINC000564599206 435272706 /nfs/dbraw/zinc/27/27/06/435272706.db2.gz YAEOMZKCIDNQRQ-UHFFFAOYSA-N 0 0 307.344 3.114 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000584061849 435273037 /nfs/dbraw/zinc/27/30/37/435273037.db2.gz WYVDRQUOZNJPER-AWEZNQCLSA-N 0 0 306.410 3.140 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000565285212 435277579 /nfs/dbraw/zinc/27/75/79/435277579.db2.gz ZYRGVHSERDRUOJ-HNNXBMFYSA-N 0 0 310.344 3.014 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1cccs1)C1CC1 ZINC000566141981 435284769 /nfs/dbraw/zinc/28/47/69/435284769.db2.gz RFKVYFJIFQWLFE-YDHLFZDLSA-N 0 0 306.431 3.090 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000566686540 435287782 /nfs/dbraw/zinc/28/77/82/435287782.db2.gz DKDICOSZXMYNMN-UHFFFAOYSA-N 0 0 301.390 3.112 10 30 DGEERN CC#CCNC(=O)c1c(C)cc(Br)cc1Cl ZINC000478386388 435297954 /nfs/dbraw/zinc/29/79/54/435297954.db2.gz QDGGAGCQNBOSDL-UHFFFAOYSA-N 0 0 300.583 3.164 10 30 DGEERN C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC[C@H]21 ZINC000567313568 435306322 /nfs/dbraw/zinc/30/63/22/435306322.db2.gz BKRPYFWPESBBEE-HZPDHXFCSA-N 0 0 324.428 3.052 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000535062512 435314069 /nfs/dbraw/zinc/31/40/69/435314069.db2.gz FLKMCRDAWIBOIV-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000567414759 435314596 /nfs/dbraw/zinc/31/45/96/435314596.db2.gz JCBOGIBUPRWQNJ-GFCCVEGCSA-N 0 0 308.372 3.262 10 30 DGEERN CCC1(CC)[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H](C)[C@H]1OC ZINC000537805427 435468047 /nfs/dbraw/zinc/46/80/47/435468047.db2.gz ZXKUKZSEWQPMTQ-MORSLUCNSA-N 0 0 314.429 3.057 10 30 DGEERN C=CCSCCNS(=O)(=O)Cc1ccc2ccccc2c1 ZINC000568799914 435472257 /nfs/dbraw/zinc/47/22/57/435472257.db2.gz IAZZPSLZGTZQQP-UHFFFAOYSA-N 0 0 321.467 3.178 10 30 DGEERN C=CCC1(C(=O)Nc2ccnc(C)c2Br)CCC1 ZINC000568822963 435473571 /nfs/dbraw/zinc/47/35/71/435473571.db2.gz WAZIOGKAMWVORW-UHFFFAOYSA-N 0 0 309.207 3.259 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000568374418 435428787 /nfs/dbraw/zinc/42/87/87/435428787.db2.gz VQUHSAOEEMVZGF-UHFFFAOYSA-N 0 0 304.409 3.467 10 30 DGEERN C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccncc1C#N ZINC000569174863 435510347 /nfs/dbraw/zinc/51/03/47/435510347.db2.gz ZGVRGKOEYMQPOO-NSHDSACASA-N 0 0 305.303 3.437 10 30 DGEERN C=CCN(C(=O)NCCOCc1ccc(Cl)cc1)C1CC1 ZINC000539030316 435533746 /nfs/dbraw/zinc/53/37/46/435533746.db2.gz LBGCNUNQIPIADA-UHFFFAOYSA-N 0 0 308.809 3.217 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2ncccc2C)CC1 ZINC000569729029 435557621 /nfs/dbraw/zinc/55/76/21/435557621.db2.gz YMPRMICPPUTTHT-OAHLLOKOSA-N 0 0 302.418 3.362 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@](C)(C(=O)OC)c1ccc(F)cc1 ZINC000485069866 435559885 /nfs/dbraw/zinc/55/98/85/435559885.db2.gz ZMUHDRGQVLFNCK-SFHVURJKSA-N 0 0 319.376 3.099 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1cccs1)C(CC)CC ZINC000539712257 435564683 /nfs/dbraw/zinc/56/46/83/435564683.db2.gz LCLZSUXGTFJZGM-ZFWWWQNUSA-N 0 0 310.463 3.462 10 30 DGEERN C=CCCCCCNC(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000569864216 435567820 /nfs/dbraw/zinc/56/78/20/435567820.db2.gz MUVFATRFGCFISX-UHFFFAOYSA-N 0 0 306.454 3.334 10 30 DGEERN C=CCN(C(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC)C1CC1 ZINC000540110220 435587873 /nfs/dbraw/zinc/58/78/73/435587873.db2.gz DVBQXRCWCBBKSS-WMZOPIPTSA-N 0 0 300.402 3.085 10 30 DGEERN C=CCCCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000517754939 435609763 /nfs/dbraw/zinc/60/97/63/435609763.db2.gz IROUYVXSNQEMIZ-UHFFFAOYSA-N 0 0 305.378 3.183 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000517558672 435599424 /nfs/dbraw/zinc/59/94/24/435599424.db2.gz FLEJXUDOLSRNJA-FSDCSDTHSA-N 0 0 302.418 3.069 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCCOc1ccc(F)cc1F ZINC000540480576 435604095 /nfs/dbraw/zinc/60/40/95/435604095.db2.gz OOOHOIKZGQMLIO-LBPRGKRZSA-N 0 0 312.360 3.388 10 30 DGEERN C=CCCCN(C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000541173003 435641581 /nfs/dbraw/zinc/64/15/81/435641581.db2.gz KLRIGCDOGHFOHJ-UHFFFAOYSA-N 0 0 308.788 3.458 10 30 DGEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)c2cccc(F)c2O1 ZINC000547901833 435654451 /nfs/dbraw/zinc/65/44/51/435654451.db2.gz NPCYIBMHTYQZGV-LBPRGKRZSA-N 0 0 310.328 3.054 10 30 DGEERN N#Cc1cnccc1N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000548152766 435673576 /nfs/dbraw/zinc/67/35/76/435673576.db2.gz WTLZLTFWZDJMTH-WFASDCNBSA-N 0 0 303.287 3.362 10 30 DGEERN C[C@H](Cc1ccc(Br)cc1)Nc1ccncc1C#N ZINC000548482316 435696205 /nfs/dbraw/zinc/69/62/05/435696205.db2.gz ALHVFXFIDWJIGJ-LLVKDONJSA-N 0 0 316.202 3.181 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000572285142 435804183 /nfs/dbraw/zinc/80/41/83/435804183.db2.gz WOJUFTAOEVVMPZ-VXGBXAGGSA-N 0 0 317.462 3.378 10 30 DGEERN C=CCCCCCNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000572132493 435784829 /nfs/dbraw/zinc/78/48/29/435784829.db2.gz GIGWSNZXFPIBIR-UHFFFAOYSA-N 0 0 316.401 3.316 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000572870324 435875688 /nfs/dbraw/zinc/87/56/88/435875688.db2.gz LIMNJCTUNCEJAE-KWQFWETISA-N 0 0 310.806 3.204 10 30 DGEERN Cc1c(Cl)cnc(N2CCCC[C@H]2c2cnn(C)c2)c1C#N ZINC000408455745 300962878 /nfs/dbraw/zinc/96/28/78/300962878.db2.gz DXSYMFALMUYNDC-HNNXBMFYSA-N 0 0 315.808 3.380 10 30 DGEERN NC(=O)c1ccccc1/N=C\c1cc(Br)ccc1O ZINC000100484806 303348209 /nfs/dbraw/zinc/34/82/09/303348209.db2.gz MFISNADRDTWMQG-IUXPMGMMSA-N 0 0 319.158 3.004 10 30 DGEERN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1C ZINC000173294453 533697918 /nfs/dbraw/zinc/69/79/18/533697918.db2.gz OAMYZBPLGSUXEP-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN COc1ccnc2c(NC(=O)Cc3cccc(C#N)c3)cccc12 ZINC000535057524 313696155 /nfs/dbraw/zinc/69/61/55/313696155.db2.gz CHZHAPIZQHGUDF-UHFFFAOYSA-N 0 0 317.348 3.296 10 30 DGEERN N#Cc1cnccc1Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000547824832 314399769 /nfs/dbraw/zinc/39/97/69/314399769.db2.gz LKLQNHCBGMHDDG-UHFFFAOYSA-N 0 0 321.409 3.329 10 30 DGEERN N#Cc1cnccc1N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000548152765 314426998 /nfs/dbraw/zinc/42/69/98/314426998.db2.gz WTLZLTFWZDJMTH-SWLSCSKDSA-N 0 0 303.287 3.362 10 30 DGEERN COc1cc(-c2noc(/C=C/c3cccc(C#N)c3)n2)cc(C)n1 ZINC000549682773 314515317 /nfs/dbraw/zinc/51/53/17/314515317.db2.gz SRIIHDTXMLONTA-VOTSOKGWSA-N 0 0 318.336 3.491 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCc3cc(Cl)ccc3C2)c1 ZINC000563761577 315135908 /nfs/dbraw/zinc/13/59/08/315135908.db2.gz PRMXFSLVZMZOJY-UHFFFAOYSA-N 0 0 310.784 3.339 10 30 DGEERN C[C@@H]1C[C@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000564619696 315186435 /nfs/dbraw/zinc/18/64/35/315186435.db2.gz RDLSZCZWJWZWPI-ZJUUUORDSA-N 0 0 303.312 3.198 10 30 DGEERN CC(C)(C)OC1CC(CCNC(=O)Cc2cccc(C#N)c2)C1 ZINC000565396786 315257792 /nfs/dbraw/zinc/25/77/92/315257792.db2.gz WRLXIWDMQNUKGN-UHFFFAOYSA-N 0 0 314.429 3.201 10 30 DGEERN C[C@H](Nc1cnccc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000577994848 316292807 /nfs/dbraw/zinc/29/28/07/316292807.db2.gz YLNTZKNOAOMMNG-NSHDSACASA-N 0 0 312.339 3.028 10 30 DGEERN CCc1cnccc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000182558219 323304597 /nfs/dbraw/zinc/30/45/97/323304597.db2.gz XBCJGDDEWSMBQV-UHFFFAOYSA-N 0 0 305.381 3.320 10 30 DGEERN N#Cc1ccc(F)cc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000188134838 323422459 /nfs/dbraw/zinc/42/24/59/323422459.db2.gz SMKPZRXXFNMLEI-UHFFFAOYSA-N 0 0 301.346 3.363 10 30 DGEERN C=CC[C@H]1N(C(=O)NCc2noc(C3CC3)n2)CCCC1(C)C ZINC000570623803 332784869 /nfs/dbraw/zinc/78/48/69/332784869.db2.gz YRCXHEXJGXICSQ-CYBMUJFWSA-N 0 0 318.421 3.223 10 30 DGEERN C=CCCCCSc1nc2ccccc2c(=O)n1CCCO ZINC000580035535 331645472 /nfs/dbraw/zinc/64/54/72/331645472.db2.gz INZHNFAFQIXISG-UHFFFAOYSA-N 0 0 318.442 3.227 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC000584172516 331852850 /nfs/dbraw/zinc/85/28/50/331852850.db2.gz SZIVGYLGPSPKAD-HNNXBMFYSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccccc1NC(C)=O ZINC000518393482 332024878 /nfs/dbraw/zinc/02/48/78/332024878.db2.gz FNNDEUXCZNEERO-UHFFFAOYSA-N 0 0 303.406 3.191 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)Cc1ccccc1Br ZINC000533875008 332228705 /nfs/dbraw/zinc/22/87/05/332228705.db2.gz GRNJPWAJCKJBKO-OAHLLOKOSA-N 0 0 323.234 3.436 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000185002702 335103625 /nfs/dbraw/zinc/10/36/25/335103625.db2.gz GCNANVBGCWNEMK-AWEZNQCLSA-N 0 0 300.402 3.032 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2ccccc2)CC1 ZINC000425587711 335107759 /nfs/dbraw/zinc/10/77/59/335107759.db2.gz SDUAEMSICLVFSF-ROUUACIJSA-N 0 0 314.429 3.167 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCCCc1ccccc1 ZINC000425585660 335106977 /nfs/dbraw/zinc/10/69/77/335106977.db2.gz QFKQPNDOWBGMCP-ROUUACIJSA-N 0 0 316.445 3.242 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000293759628 335113097 /nfs/dbraw/zinc/11/30/97/335113097.db2.gz LMRLJINOGPJOTJ-UHFFFAOYSA-N 0 0 300.402 3.248 10 30 DGEERN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000159577308 332669232 /nfs/dbraw/zinc/66/92/32/332669232.db2.gz YYSOEZTVGUFYME-IINYFYTJSA-N 0 0 310.319 3.302 10 30 DGEERN C=CCCCCCNC(=O)N(C)[C@@H](CO)c1ccc(OC)cc1 ZINC000580213511 333013156 /nfs/dbraw/zinc/01/31/56/333013156.db2.gz RZEHJZJYDUKSJF-KRWDZBQOSA-N 0 0 320.433 3.116 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000582105580 333237657 /nfs/dbraw/zinc/23/76/57/333237657.db2.gz NVLHDKGSPFNUKU-RDBSUJKOSA-N 0 0 308.447 3.478 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338123272 333470217 /nfs/dbraw/zinc/47/02/17/333470217.db2.gz VUPVQKGJPPQAKT-IUODEOHRSA-N 0 0 306.381 3.476 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000185731792 335147262 /nfs/dbraw/zinc/14/72/62/335147262.db2.gz HEDSRGHFQZJQEO-UONOGXRCSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCC1(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CCCC1 ZINC000571392646 333781028 /nfs/dbraw/zinc/78/10/28/333781028.db2.gz JHEDINHIWHWCQY-OAHLLOKOSA-N 0 0 312.413 3.365 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000571483982 333793682 /nfs/dbraw/zinc/79/36/82/333793682.db2.gz XGWCGLPPECBEDI-UHFFFAOYSA-N 0 0 306.450 3.054 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413857032 333876890 /nfs/dbraw/zinc/87/68/90/333876890.db2.gz CZYKVGJFMDGNCD-OAHLLOKOSA-N 0 0 305.397 3.012 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)N(CCC#N)Cc1ccco1 ZINC000269274887 333999802 /nfs/dbraw/zinc/99/98/02/333999802.db2.gz IFZNMPBMXPSNKY-CQSZACIVSA-N 0 0 304.390 3.307 10 30 DGEERN O=C(NCC#Cc1ccccc1)c1cc(C2CCCCC2)n[nH]1 ZINC000534604936 334297384 /nfs/dbraw/zinc/29/73/84/334297384.db2.gz FFIBSJOSXGZMGA-UHFFFAOYSA-N 0 0 307.397 3.239 10 30 DGEERN C=CC1CCN(C(=O)NCc2cccnc2OCCCC)CC1 ZINC000111841850 334358305 /nfs/dbraw/zinc/35/83/05/334358305.db2.gz FUPZMPXCUQPQRA-UHFFFAOYSA-N 0 0 317.433 3.368 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000535325317 334716309 /nfs/dbraw/zinc/71/63/09/334716309.db2.gz LESXGRCNCUZNGY-AWEZNQCLSA-N 0 0 309.753 3.306 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)COc1ccc2c(c1)CCCC2 ZINC000535326453 334716452 /nfs/dbraw/zinc/71/64/52/334716452.db2.gz PVTRBGOMHBPNIB-IBGZPJMESA-N 0 0 314.429 3.389 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)COc1ccc2c(c1)CCCC2 ZINC000535326464 334716525 /nfs/dbraw/zinc/71/65/25/334716525.db2.gz PVTRBGOMHBPNIB-LJQANCHMSA-N 0 0 314.429 3.389 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3oc(CO)cc3c2)CCOCC1 ZINC000519180274 335813162 /nfs/dbraw/zinc/81/31/62/335813162.db2.gz OAGGYNKNAGLCRC-UHFFFAOYSA-N 0 0 315.369 3.237 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000043482874 336254647 /nfs/dbraw/zinc/25/46/47/336254647.db2.gz PBWHTIYCGZRPGQ-CYBMUJFWSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000152449540 336385026 /nfs/dbraw/zinc/38/50/26/336385026.db2.gz JFXYUJVZXQUQGO-OAHLLOKOSA-N 0 0 319.424 3.402 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000356971399 336567930 /nfs/dbraw/zinc/56/79/30/336567930.db2.gz JXVUGIWHEGWIMY-QWHCGFSZSA-N 0 0 304.340 3.221 10 30 DGEERN COc1ccc(S[C@H](C)C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000356981239 336568525 /nfs/dbraw/zinc/56/85/25/336568525.db2.gz MAKWEGHSXCBQEC-CYBMUJFWSA-N 0 0 318.442 3.328 10 30 DGEERN C=CCn1c(SC[C@H](OC)C2CC2)nnc1-c1ccco1 ZINC000582785072 337161282 /nfs/dbraw/zinc/16/12/82/337161282.db2.gz RBBCAWJLEIFVPQ-ZDUSSCGKSA-N 0 0 305.403 3.241 10 30 DGEERN C=CCCCCCNC(=O)C12CCC(C(=O)OC)(CC1)CC2 ZINC000582793813 337170638 /nfs/dbraw/zinc/17/06/38/337170638.db2.gz PLKZSLXDTBQCJO-UHFFFAOYSA-N 0 0 307.434 3.363 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000183860843 337195043 /nfs/dbraw/zinc/19/50/43/337195043.db2.gz HPAGPLKEYJHQEL-GFCCVEGCSA-N 0 0 316.792 3.256 10 30 DGEERN C=C(C)CCn1oc(-c2ccc(Br)cc2)nc1=O ZINC000583173059 337252996 /nfs/dbraw/zinc/25/29/96/337252996.db2.gz UCTVNNDJYSBSES-UHFFFAOYSA-N 0 0 309.163 3.232 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(C)C)cc1C ZINC000583260218 337291156 /nfs/dbraw/zinc/29/11/56/337291156.db2.gz YSPBPQQDEFRDTJ-YOEHRIQHSA-N 0 0 318.417 3.495 10 30 DGEERN C=CCc1cccc(C(C)C)c1NCC(=O)NCCOCC ZINC000190915271 337291319 /nfs/dbraw/zinc/29/13/19/337291319.db2.gz KLRLSZQIJWSOSA-UHFFFAOYSA-N 0 0 304.434 3.103 10 30 DGEERN CCCCCCCC(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191572209 337299090 /nfs/dbraw/zinc/29/90/90/337299090.db2.gz MZLYNOJQDZIPSV-UHFFFAOYSA-N 0 0 306.454 3.434 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CC[C@@H](c2cc(C)ccn2)C1)OCC ZINC000583273556 337299582 /nfs/dbraw/zinc/29/95/82/337299582.db2.gz UVDZSMLOIRKGAR-WBVHZDCISA-N 0 0 302.418 3.077 10 30 DGEERN N#Cc1cccc(-c2c[nH]c3nccc(N4CCC(O)CC4)c23)c1 ZINC000584598773 337370537 /nfs/dbraw/zinc/37/05/37/337370537.db2.gz JFRRQNXJDOYCFB-UHFFFAOYSA-N 0 0 318.380 3.063 10 30 DGEERN CCCCCCCCCC(=O)NC[C@@H](CO)OCCCC ZINC000584602335 337371006 /nfs/dbraw/zinc/37/10/06/337371006.db2.gz UAAACLINQTVEQL-INIZCTEOSA-N 0 0 301.471 3.421 10 30 DGEERN Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(Cl)cc3)c21 ZINC000584618390 337373166 /nfs/dbraw/zinc/37/31/66/337373166.db2.gz HLRZXOPEWRUILD-UHFFFAOYSA-N 0 0 309.756 3.469 10 30 DGEERN Cc1c2cc(C#N)cc(-c3ccnc(Cl)c3)c2n(C)c1C(N)=O ZINC000584618513 337373262 /nfs/dbraw/zinc/37/32/62/337373262.db2.gz JTBHXIFJHCZZAP-UHFFFAOYSA-N 0 0 324.771 3.173 10 30 DGEERN CO/N=C1/CCCCc2ccc(I)cc21 ZINC000584632345 337377247 /nfs/dbraw/zinc/37/72/47/337377247.db2.gz UZDCEIFFLISCFP-OWBHPGMISA-N 0 0 315.154 3.368 10 30 DGEERN N#Cc1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2c1 ZINC000584639757 337379783 /nfs/dbraw/zinc/37/97/83/337379783.db2.gz KIEHLMJCMBWQHS-UHFFFAOYSA-N 0 0 321.361 3.029 10 30 DGEERN C=C(Br)C[C@@H](CCC=O)OC(=O)c1ccccc1 ZINC000584640031 337379926 /nfs/dbraw/zinc/37/99/26/337379926.db2.gz FNIXZYDHFIBHNF-CYBMUJFWSA-N 0 0 311.175 3.490 10 30 DGEERN N#CC1CCC(CNC(=O)NCCCc2cccs2)CC1 ZINC000571845483 337577877 /nfs/dbraw/zinc/57/78/77/337577877.db2.gz QOZKEPVXTVSUOL-UHFFFAOYSA-N 0 0 305.447 3.310 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H](C)[C@@H]1C ZINC000572000988 337585960 /nfs/dbraw/zinc/58/59/60/337585960.db2.gz ZFWIGGHKDVZISA-PWSUYJOCSA-N 0 0 303.435 3.131 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000572285140 337604867 /nfs/dbraw/zinc/60/48/67/337604867.db2.gz WOJUFTAOEVVMPZ-RYUDHWBXSA-N 0 0 317.462 3.378 10 30 DGEERN C=CCCCCCN(C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000527216743 337738787 /nfs/dbraw/zinc/73/87/87/337738787.db2.gz NNOYEYXTGROVPI-HNNXBMFYSA-N 0 0 318.417 3.214 10 30 DGEERN CCN(CC#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000120137605 337869179 /nfs/dbraw/zinc/86/91/79/337869179.db2.gz SLOZIKYMXVTYPZ-LLVKDONJSA-N 0 0 309.207 3.315 10 30 DGEERN COC[C@H](NCC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000537175309 337907215 /nfs/dbraw/zinc/90/72/15/337907215.db2.gz CJZYJUFZPLVABM-SFHVURJKSA-N 0 0 301.336 3.294 10 30 DGEERN C=CCN1CC[C@H](Nc2cccc(C(F)F)c2Cl)C1=O ZINC000537508487 337939167 /nfs/dbraw/zinc/93/91/67/337939167.db2.gz PUYMOMMTQZNOTL-NSHDSACASA-N 0 0 300.736 3.476 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc2ccccc2cc1Cl ZINC000516454495 338012833 /nfs/dbraw/zinc/01/28/33/338012833.db2.gz SDJGBOFIADTLER-WFASDCNBSA-N 0 0 316.788 3.209 10 30 DGEERN C=CC(C)(C)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000451461595 338735459 /nfs/dbraw/zinc/73/54/59/338735459.db2.gz AZQBOEPIFRJFSX-AWEZNQCLSA-N 0 0 301.434 3.138 10 30 DGEERN C=CCN(C1CC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000501415646 340080531 /nfs/dbraw/zinc/08/05/31/340080531.db2.gz KDMJJRZYNZFPOW-UHFFFAOYSA-N 0 0 320.241 3.474 10 30 DGEERN C=CCCCCCN(C)C(=O)CCc1cccc(C(=O)NC)c1 ZINC000502045434 340094008 /nfs/dbraw/zinc/09/40/08/340094008.db2.gz KDIVWJYVWPYLRY-UHFFFAOYSA-N 0 0 316.445 3.184 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000502153790 340096011 /nfs/dbraw/zinc/09/60/11/340096011.db2.gz FUPVRCWQUXLZQP-UHFFFAOYSA-N 0 0 305.422 3.367 10 30 DGEERN CCCCO[C@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1(C)C ZINC000504405104 340147250 /nfs/dbraw/zinc/14/72/50/340147250.db2.gz ZIJZPUYMFNRRNE-GJZGRUSLSA-N 0 0 321.465 3.305 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](C(=O)OC)[C@H]1C ZINC000505001063 340158443 /nfs/dbraw/zinc/15/84/43/340158443.db2.gz NXQJQHIXDNUPKS-UKRRQHHQSA-N 0 0 316.401 3.221 10 30 DGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCOC ZINC000508463070 340244055 /nfs/dbraw/zinc/24/40/55/340244055.db2.gz CXVBWVATHPYMBT-UHFFFAOYSA-N 0 0 320.824 3.257 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC(C)C ZINC000508746206 340252281 /nfs/dbraw/zinc/25/22/81/340252281.db2.gz KARFSRYHWRZLNX-UHFFFAOYSA-N 0 0 315.377 3.132 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC000508889972 340255360 /nfs/dbraw/zinc/25/53/60/340255360.db2.gz VFKZEMGYAMXXQX-LSDHHAIUSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000508930716 340255897 /nfs/dbraw/zinc/25/58/97/340255897.db2.gz GCMIBQMGWCEATM-HOCLYGCPSA-N 0 0 318.465 3.056 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000510293115 340295273 /nfs/dbraw/zinc/29/52/73/340295273.db2.gz ZITFPYBODIOPLJ-QGZVFWFLSA-N 0 0 305.422 3.349 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)c2cccnc2)cc1 ZINC000173780924 340373880 /nfs/dbraw/zinc/37/38/80/340373880.db2.gz JPRGHRFDZMTEMK-CYBMUJFWSA-N 0 0 324.384 3.131 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)NCCCCC)CC1 ZINC000185137859 340498424 /nfs/dbraw/zinc/49/84/24/340498424.db2.gz CTNVESHLGNSKBV-OAHLLOKOSA-N 0 0 308.466 3.134 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000185714763 340504418 /nfs/dbraw/zinc/50/44/18/340504418.db2.gz QMTYTTUDBGXSHB-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN C=CC1CCN(C(=O)c2cc(C)n([C@@H]3CCOC3)c2C)CC1 ZINC000528518951 340722621 /nfs/dbraw/zinc/72/26/21/340722621.db2.gz HDOXEQXIDHWGAQ-MRXNPFEDSA-N 0 0 302.418 3.105 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cc(C)n([C@@H]2CCOC2)c1C ZINC000529201711 340748314 /nfs/dbraw/zinc/74/83/14/340748314.db2.gz ZXLBIORHERCFPO-JKSUJKDBSA-N 0 0 302.418 3.247 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CCc2ccccc2CC1 ZINC000529247026 340750141 /nfs/dbraw/zinc/75/01/41/340750141.db2.gz PZXDRSWNLIDJRM-OALUTQOASA-N 0 0 313.441 3.279 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2nnnn2C(C)C)c1 ZINC000529648930 340766703 /nfs/dbraw/zinc/76/67/03/340766703.db2.gz FZSKXMUXOOMMOX-CYBMUJFWSA-N 0 0 313.405 3.462 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000538337848 340818656 /nfs/dbraw/zinc/81/86/56/340818656.db2.gz RWJDJSOEVBVNOS-NSHDSACASA-N 0 0 316.323 3.497 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000538337500 340818667 /nfs/dbraw/zinc/81/86/67/340818667.db2.gz OBFJRNWOWSQAJS-LLVKDONJSA-N 0 0 324.218 3.493 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NCCC1=CCCC1 ZINC000129894802 340988429 /nfs/dbraw/zinc/98/84/29/340988429.db2.gz QRSGXAXSLIUXLJ-UHFFFAOYSA-N 0 0 301.386 3.490 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCc1cccc(-c2ccc(C)cc2)c1 ZINC000542313193 341004060 /nfs/dbraw/zinc/00/40/60/341004060.db2.gz ODDMJOXUSGZPQO-IBGZPJMESA-N 0 0 324.424 3.398 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000542699110 341017801 /nfs/dbraw/zinc/01/78/01/341017801.db2.gz GFCMRIVRBRUXGG-NUJGCVRESA-N 0 0 316.445 3.182 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000544179725 341073037 /nfs/dbraw/zinc/07/30/37/341073037.db2.gz ZOPQNUJEUGUBMU-STQMWFEESA-N 0 0 323.387 3.197 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000544417932 341081414 /nfs/dbraw/zinc/08/14/14/341081414.db2.gz LOVKSNWQUQQJMU-KRWDZBQOSA-N 0 0 320.820 3.262 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1nc(-c2sccc2C)ns1 ZINC000131827666 341112334 /nfs/dbraw/zinc/11/23/34/341112334.db2.gz JTFIFXQRJCNKTB-SNVBAGLBSA-N 0 0 323.443 3.495 10 30 DGEERN C=CCOc1ccc(CNc2ccc3c(c2)OCC(=O)N3C)cc1 ZINC000546667288 341178010 /nfs/dbraw/zinc/17/80/10/341178010.db2.gz TXZUTBHGVHCPQA-UHFFFAOYSA-N 0 0 324.380 3.219 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000134251675 341210980 /nfs/dbraw/zinc/21/09/80/341210980.db2.gz FCALLUCPUZILIX-VBNZEHGJSA-N 0 0 321.852 3.349 10 30 DGEERN C=C(C)[C@H](NC(=O)NCC[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000547483465 341216434 /nfs/dbraw/zinc/21/64/34/341216434.db2.gz MYBJSHOAWDWSTF-WBMJQRKESA-N 0 0 324.371 3.308 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000135271170 341235094 /nfs/dbraw/zinc/23/50/94/341235094.db2.gz KFHGYPHULAWYJT-CYBMUJFWSA-N 0 0 324.218 3.350 10 30 DGEERN N#C[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C1CC1 ZINC000135439818 341239724 /nfs/dbraw/zinc/23/97/24/341239724.db2.gz OACGWJSMPDAGJM-INIZCTEOSA-N 0 0 311.772 3.434 10 30 DGEERN Cc1cnc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O)c1 ZINC000547978286 341241767 /nfs/dbraw/zinc/24/17/67/341241767.db2.gz YHERBKOOERRCTL-HZPDHXFCSA-N 0 0 321.380 3.008 10 30 DGEERN C=CCC[C@@H](NC(=O)c1coc(COC)n1)c1ccccc1 ZINC000548164679 341250724 /nfs/dbraw/zinc/25/07/24/341250724.db2.gz JHBYZGAJGGBODD-CQSZACIVSA-N 0 0 300.358 3.258 10 30 DGEERN C=CCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC(C)C ZINC000549435239 341294642 /nfs/dbraw/zinc/29/46/42/341294642.db2.gz GQGPCICFFJKKNW-UHFFFAOYSA-N 0 0 315.377 3.132 10 30 DGEERN C=CCN(C)c1nnc(CCOc2ccccc2)n1CC(C)C ZINC000549857314 341305108 /nfs/dbraw/zinc/30/51/08/341305108.db2.gz LACMFOWMXNLYJR-UHFFFAOYSA-N 0 0 314.433 3.178 10 30 DGEERN CC(C)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C#N)c1 ZINC000551385866 341340231 /nfs/dbraw/zinc/34/02/31/341340231.db2.gz RNFPLWUTLJOYPE-UHFFFAOYSA-N 0 0 300.811 3.044 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000551955418 341355980 /nfs/dbraw/zinc/35/59/80/341355980.db2.gz GOFHZWZPHMOWPU-AWEZNQCLSA-N 0 0 306.406 3.011 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249328766 341396500 /nfs/dbraw/zinc/39/65/00/341396500.db2.gz OLOLXFAWBBCOGK-CHWSQXEVSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCn1c(SCC(=O)[C@@H](C)CC)nnc1-c1ccco1 ZINC000089679169 341407081 /nfs/dbraw/zinc/40/70/81/341407081.db2.gz VZSGGZSPCQGSRK-NSHDSACASA-N 0 0 305.403 3.431 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000554539283 341457039 /nfs/dbraw/zinc/45/70/39/341457039.db2.gz NIGNFEIHIDULPT-GOSISDBHSA-N 0 0 300.402 3.002 10 30 DGEERN C=CCCCCCNC(=O)N(CCO)[C@H]1CCc2ccccc21 ZINC000565180038 341519511 /nfs/dbraw/zinc/51/95/11/341519511.db2.gz ONCIQXBFMJBLOK-SFHVURJKSA-N 0 0 316.445 3.424 10 30 DGEERN CC(C)(C#N)CCC[S@](=O)Cc1nc(C2CCCC2)no1 ZINC000154311215 341587855 /nfs/dbraw/zinc/58/78/55/341587855.db2.gz ZOAUCVYNRAMOTI-OAQYLSRUSA-N 0 0 309.435 3.306 10 30 DGEERN C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000567313566 341594500 /nfs/dbraw/zinc/59/45/00/341594500.db2.gz BKRPYFWPESBBEE-CVEARBPZSA-N 0 0 324.428 3.052 10 30 DGEERN C=C(C)CNC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000156510431 341622203 /nfs/dbraw/zinc/62/22/03/341622203.db2.gz URULKLIVHPENMW-UHFFFAOYSA-N 0 0 300.402 3.175 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000576528120 341850999 /nfs/dbraw/zinc/85/09/99/341850999.db2.gz BAEPMZZPCDMIHK-CHWSQXEVSA-N 0 0 315.398 3.125 10 30 DGEERN C=CCCCCCNC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000577765751 341935446 /nfs/dbraw/zinc/93/54/46/341935446.db2.gz LKOSOMUIGMWOGQ-UHFFFAOYSA-N 0 0 314.429 3.219 10 30 DGEERN C=CCCCCCNC(=O)NCc1nc2cc(C)ccc2n1C ZINC000577766679 341935561 /nfs/dbraw/zinc/93/55/61/341935561.db2.gz GRMUZWLPHQBBIA-UHFFFAOYSA-N 0 0 314.433 3.427 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453449698 500572188 /nfs/dbraw/zinc/57/21/88/500572188.db2.gz FNSWTHHEQNGXIZ-MAUKXSAKSA-N 0 0 318.465 3.375 10 30 DGEERN C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Oc1ccccc1 ZINC000180849642 534036082 /nfs/dbraw/zinc/03/60/82/534036082.db2.gz KTWDBITZIMLHCH-HNNXBMFYSA-N 0 0 320.392 3.439 10 30 DGEERN C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180709990 534146676 /nfs/dbraw/zinc/14/66/76/534146676.db2.gz MQNCWXRULVAYRR-CQSZACIVSA-N 0 0 320.392 3.308 10 30 DGEERN COC(=O)c1ccc(CNc2cc(C#N)ccc2C(C)=O)cc1 ZINC000302077746 534149283 /nfs/dbraw/zinc/14/92/83/534149283.db2.gz AQIYMIPMULJWCX-UHFFFAOYSA-N 0 0 308.337 3.160 10 30 DGEERN C[C@@H](CSCc1ccccc1)C(=O)Nc1cc(C#N)ccn1 ZINC000436000562 534192996 /nfs/dbraw/zinc/19/29/96/534192996.db2.gz MBNIFWJHWXKYAU-ZDUSSCGKSA-N 0 0 311.410 3.461 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CCC[C@@H](O)[C@H]1C)c1ccc(F)c(F)c1 ZINC000454824013 534337569 /nfs/dbraw/zinc/33/75/69/534337569.db2.gz XMDZLBYGAVWEGX-LYRGGWFBSA-N 0 0 324.371 3.137 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1cccc2ccccc21 ZINC000469376362 534358424 /nfs/dbraw/zinc/35/84/24/534358424.db2.gz CLXXUOFHUZYJRG-RTBURBONSA-N 0 0 309.409 3.480 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000485515057 534360099 /nfs/dbraw/zinc/36/00/99/534360099.db2.gz DGLQJEYDFRDQJJ-YHYOWMERSA-N 0 0 323.795 3.432 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCC(C(F)F)CC1 ZINC000458733730 534364654 /nfs/dbraw/zinc/36/46/54/534364654.db2.gz MIRIOYKVPJVOJN-GNRIBBGQSA-N 0 0 316.392 3.091 10 30 DGEERN Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000329619769 534368787 /nfs/dbraw/zinc/36/87/87/534368787.db2.gz QZAOSRFSGIZKEV-QWHCGFSZSA-N 0 0 314.341 3.454 10 30 DGEERN C=CCc1cncc(OC[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000066055030 519148555 /nfs/dbraw/zinc/14/85/55/519148555.db2.gz AYPCXAHMBBPATL-CQSZACIVSA-N 0 0 304.390 3.198 10 30 DGEERN C=CCn1c(N2CCC[C@@H](COC)CC2)nnc1C(C)(C)C ZINC000453434545 534441609 /nfs/dbraw/zinc/44/16/09/534441609.db2.gz HFUUCUOSSMJEGH-CQSZACIVSA-N 0 0 306.454 3.015 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000455366485 534507124 /nfs/dbraw/zinc/50/71/24/534507124.db2.gz MBKRKBFNRZPFMU-MRXNPFEDSA-N 0 0 320.408 3.429 10 30 DGEERN C=CC(C)(C)CNC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000454689422 534511330 /nfs/dbraw/zinc/51/13/30/534511330.db2.gz OVYRKLMIGIPWBV-UHFFFAOYSA-N 0 0 312.417 3.192 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000454667040 534514069 /nfs/dbraw/zinc/51/40/69/534514069.db2.gz MRSPHAZPDNQWJI-AWEZNQCLSA-N 0 0 312.417 3.445 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2C[C@]2(C)c2ccccc2OC)CC1 ZINC000466058205 534525209 /nfs/dbraw/zinc/52/52/09/534525209.db2.gz ZXCWJOFSIQPXHC-PKOBYXMFSA-N 0 0 314.429 3.333 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000488838354 534554727 /nfs/dbraw/zinc/55/47/27/534554727.db2.gz LZYHFIZAOMHLQY-XKQJLSEDSA-N 0 0 312.413 3.462 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000182235560 534574527 /nfs/dbraw/zinc/57/45/27/534574527.db2.gz OVMOJCYZDQAQHW-UHFFFAOYSA-N 0 0 302.377 3.440 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3ccc4c(c3)CCO4)cc2)CC1 ZINC000182759265 534576400 /nfs/dbraw/zinc/57/64/00/534576400.db2.gz ORSZTIHAWJQRQI-UHFFFAOYSA-N 0 0 304.349 3.429 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000376576887 534579763 /nfs/dbraw/zinc/57/97/63/534579763.db2.gz VZKULFBCXSCDNY-DQPZFDDXSA-N 0 0 312.417 3.258 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000455033299 534604261 /nfs/dbraw/zinc/60/42/61/534604261.db2.gz CVVBKXJTEAVNLJ-MNOVXSKESA-N 0 0 316.735 3.392 10 30 DGEERN C=C[C@H](CC(=O)N[C@H]1CCCC[C@H]1C(=O)OC)c1ccccc1 ZINC000456138059 534675569 /nfs/dbraw/zinc/67/55/69/534675569.db2.gz RLDYQQSKWICGEH-OIISXLGYSA-N 0 0 315.413 3.194 10 30 DGEERN C=CCCCCNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489655777 534692929 /nfs/dbraw/zinc/69/29/29/534692929.db2.gz NPRAXZRGJGXSLK-UHFFFAOYSA-N 0 0 310.444 3.239 10 30 DGEERN CC#CCN(C)C(=O)NCc1sc(-c2ccccc2)nc1C ZINC000458266593 534705237 /nfs/dbraw/zinc/70/52/37/534705237.db2.gz FESRPCPKTJDUIU-UHFFFAOYSA-N 0 0 313.426 3.283 10 30 DGEERN Cc1ncc(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000183167537 534733581 /nfs/dbraw/zinc/73/35/81/534733581.db2.gz XLGKYOAARXIZJA-UHFFFAOYSA-N 0 0 311.410 3.279 10 30 DGEERN N#Cc1cc(Br)cnc1NCC1(O)CCCCCC1 ZINC000311667856 534768315 /nfs/dbraw/zinc/76/83/15/534768315.db2.gz XXDKGVXIIMUTHK-UHFFFAOYSA-N 0 0 324.222 3.213 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)N[C@]3(C#N)CCC[C@@H](C)C3)nc21 ZINC000176609593 534773343 /nfs/dbraw/zinc/77/33/43/534773343.db2.gz ZSXNUPJSUTYDAE-BFUOFWGJSA-N 0 0 324.428 3.393 10 30 DGEERN Cc1csc(C2(NC(=O)c3c[nH]c(=O)cc3C)CCC2)n1 ZINC000329910216 534793264 /nfs/dbraw/zinc/79/32/64/534793264.db2.gz VRLNJXUCWDNFKW-UHFFFAOYSA-N 0 0 303.387 3.245 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCc1cnc(CC)o1 ZINC000455470352 534838353 /nfs/dbraw/zinc/83/83/53/534838353.db2.gz BAFLDEROFYQJPO-UHFFFAOYSA-N 0 0 313.401 3.177 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000156419215 526192119 /nfs/dbraw/zinc/19/21/19/526192119.db2.gz VYRQWVCYIMZREO-ZDUSSCGKSA-N 0 0 319.364 3.102 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)c1ccc(F)cc1 ZINC000358777656 526342835 /nfs/dbraw/zinc/34/28/35/526342835.db2.gz YHQCNKXYJZLTJR-UHFFFAOYSA-N 0 0 322.339 3.095 10 30 DGEERN CC#CCN(C)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000341065466 526354313 /nfs/dbraw/zinc/35/43/13/526354313.db2.gz 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/nfs/dbraw/zinc/46/26/89/526462689.db2.gz FMZCQIRKMWXEAG-KBPBESRZSA-N 0 0 321.442 3.031 10 30 DGEERN C=C(C)CCS[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000350721238 526463643 /nfs/dbraw/zinc/46/36/43/526463643.db2.gz UEYCJVHMJURWFK-GFCCVEGCSA-N 0 0 307.415 3.484 10 30 DGEERN C=C(C)CN(C)C(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000351530018 526484145 /nfs/dbraw/zinc/48/41/45/526484145.db2.gz PXFDXJSBHQPDLL-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183258731 526489883 /nfs/dbraw/zinc/48/98/83/526489883.db2.gz YJIUYPJICWZISV-AWEZNQCLSA-N 0 0 312.417 3.459 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)c1cnc(C)cn1 ZINC000427669775 526539765 /nfs/dbraw/zinc/53/97/65/526539765.db2.gz BGNMVBMIBUTYSK-ZIAGYGMSSA-N 0 0 307.463 3.392 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000340072575 526540426 /nfs/dbraw/zinc/54/04/26/526540426.db2.gz JVLGPJKFJKHUGD-SFHVURJKSA-N 0 0 317.429 3.348 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](C)c1cnc(C)cn1 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527127364 /nfs/dbraw/zinc/12/73/64/527127364.db2.gz WJCOZMMSQURGRV-UHFFFAOYSA-N 0 0 308.447 3.203 10 30 DGEERN C=CC[C@H](CC)N1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000348559314 527142632 /nfs/dbraw/zinc/14/26/32/527142632.db2.gz XJSVGJZKCVQEAY-LBPRGKRZSA-N 0 0 308.328 3.084 10 30 DGEERN C=CCCCCNC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000372152253 527148863 /nfs/dbraw/zinc/14/88/63/527148863.db2.gz GJLUDLYVTLOSFB-UHFFFAOYSA-N 0 0 322.478 3.394 10 30 DGEERN C=CCCCCNC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000353232193 527159126 /nfs/dbraw/zinc/15/91/26/527159126.db2.gz KYSAFYMALBQGBE-CQSZACIVSA-N 0 0 312.479 3.087 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCc2sccc2C1 ZINC000285812900 527160437 /nfs/dbraw/zinc/16/04/37/527160437.db2.gz VBYCNPHDTASQTR-KRWDZBQOSA-N 0 0 324.449 3.450 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000285666434 527171278 /nfs/dbraw/zinc/17/12/78/527171278.db2.gz FPVYAFNHZWVRFW-QRVBRYPASA-N 0 0 313.441 3.333 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OCC(C)C ZINC000130556096 527180443 /nfs/dbraw/zinc/18/04/43/527180443.db2.gz ZVNAWMAHTPWTDV-UHFFFAOYSA-N 0 0 318.417 3.085 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(CC=C)c(OC)c(OC)c1 ZINC000076486987 527190388 /nfs/dbraw/zinc/19/03/88/527190388.db2.gz MVSHHIDDPILTOA-UHFFFAOYSA-N 0 0 303.402 3.471 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420672753 527194327 /nfs/dbraw/zinc/19/43/27/527194327.db2.gz FTDWEFXOQJHMRH-UHFFFAOYSA-N 0 0 323.336 3.014 10 30 DGEERN C=CCCCN(C)c1nnc(C2CCC2)n1C[C@@H]1CCCO1 ZINC000339024404 527195427 /nfs/dbraw/zinc/19/54/27/527195427.db2.gz WRFWGVAKGXNIQA-HNNXBMFYSA-N 0 0 304.438 3.127 10 30 DGEERN C=CCCCN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCCO1 ZINC000338995415 527195565 /nfs/dbraw/zinc/19/55/65/527195565.db2.gz HZTQWPWMWYQCJK-CQSZACIVSA-N 0 0 306.454 3.157 10 30 DGEERN C=CCCCN(C)c1nnc(CCc2ccc(OC)cc2)n1C ZINC000337659932 527196113 /nfs/dbraw/zinc/19/61/13/527196113.db2.gz AQNGPWUBYCUZJN-UHFFFAOYSA-N 0 0 314.433 3.011 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000359002336 527197006 /nfs/dbraw/zinc/19/70/06/527197006.db2.gz NXVBHZWZNUMGRG-QWHCGFSZSA-N 0 0 316.376 3.276 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000186048488 527197735 /nfs/dbraw/zinc/19/77/35/527197735.db2.gz XVIHAEGZMQCMOF-WCQYABFASA-N 0 0 304.415 3.199 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000293238886 527198775 /nfs/dbraw/zinc/19/87/75/527198775.db2.gz FFAPUDHWYJCIIS-MWLCHTKSSA-N 0 0 314.838 3.015 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000413762578 527200115 /nfs/dbraw/zinc/20/01/15/527200115.db2.gz UYJBPHLZQZKVAC-DZJNRPSUSA-N 0 0 316.445 3.195 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000413690112 527201767 /nfs/dbraw/zinc/20/17/67/527201767.db2.gz ASFGXNHGEVKSCH-VNQPRFMTSA-N 0 0 322.836 3.212 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000441957815 527204077 /nfs/dbraw/zinc/20/40/77/527204077.db2.gz VAMZAZZOYBANHB-NWDGAFQWSA-N 0 0 323.462 3.107 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000185814211 527205619 /nfs/dbraw/zinc/20/56/19/527205619.db2.gz LDNXVRVLUZLXMG-RTXFEEFZSA-N 0 0 314.212 3.150 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000448378815 527209141 /nfs/dbraw/zinc/20/91/41/527209141.db2.gz WNJORJVNIRIUBY-UHFFFAOYSA-N 0 0 302.418 3.395 10 30 DGEERN C=CC[C@H](CO)NCc1csc(COc2ccc(C)cc2)n1 ZINC000184282171 527209579 /nfs/dbraw/zinc/20/95/79/527209579.db2.gz XFFCEAMRDIBFKU-CQSZACIVSA-N 0 0 318.442 3.057 10 30 DGEERN C=CC[C@H]1N(C(=O)c2cnn(C)c2SC)CCCC1(C)C ZINC000347474378 527226870 /nfs/dbraw/zinc/22/68/70/527226870.db2.gz WAKOOCJPPHGCSR-CYBMUJFWSA-N 0 0 307.463 3.349 10 30 DGEERN C=CCc1cc(CNC(=O)N[C@H]2CC[C@H]2C)cc(OC)c1OC ZINC000347818128 527240498 /nfs/dbraw/zinc/24/04/98/527240498.db2.gz TVKNCBRBQKZVDY-DOMZBBRYSA-N 0 0 318.417 3.030 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CC(C)=C[C@H](C)C2)c(OC)c1 ZINC000435268265 527247917 /nfs/dbraw/zinc/24/79/17/527247917.db2.gz MFXSUADKZKPRAV-AWEZNQCLSA-N 0 0 315.413 3.227 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)N(C)CC ZINC000191482015 527259506 /nfs/dbraw/zinc/25/95/06/527259506.db2.gz KWONHTPOYXCOMS-UHFFFAOYSA-N 0 0 317.433 3.138 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000180325609 527266509 /nfs/dbraw/zinc/26/65/09/527266509.db2.gz YJQJDOZJXQRXOT-HIFRSBDPSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442747921 527272825 /nfs/dbraw/zinc/27/28/25/527272825.db2.gz JPRANGSBXJMUJH-SNVBAGLBSA-N 0 0 322.352 3.124 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000352325422 527276881 /nfs/dbraw/zinc/27/68/81/527276881.db2.gz RSKTXHZZFXSNLB-ZDUSSCGKSA-N 0 0 322.836 3.159 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2ccsc2C1 ZINC000351117151 527281425 /nfs/dbraw/zinc/28/14/25/527281425.db2.gz PMSHUENUQUPDAT-UHFFFAOYSA-N 0 0 312.398 3.348 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC(C=C)CC1 ZINC000337861218 527282479 /nfs/dbraw/zinc/28/24/79/527282479.db2.gz NJZZBLQOCVWZDG-UHFFFAOYSA-N 0 0 309.417 3.237 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000433926819 527286975 /nfs/dbraw/zinc/28/69/75/527286975.db2.gz NKKKLHLPGGWEAA-XQQFMLRXSA-N 0 0 322.371 3.076 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000181389183 527287915 /nfs/dbraw/zinc/28/79/15/527287915.db2.gz ZQKXVVSPEHRURI-WMLDXEAASA-N 0 0 318.417 3.220 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000180325595 527289746 /nfs/dbraw/zinc/28/97/46/527289746.db2.gz YJQJDOZJXQRXOT-ZFWWWQNUSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCC(c2nccs2)CC1 ZINC000337849425 527305545 /nfs/dbraw/zinc/30/55/45/527305545.db2.gz INYQZHZAYXCIMJ-UHFFFAOYSA-N 0 0 315.446 3.182 10 30 DGEERN C=CCCN(C)C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000342582170 527306187 /nfs/dbraw/zinc/30/61/87/527306187.db2.gz GHMOODBVIALDML-UHFFFAOYSA-N 0 0 316.735 3.251 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N(CC)CCc1nccs1 ZINC000350654743 527311761 /nfs/dbraw/zinc/31/17/61/527311761.db2.gz VIQUBTLCAMYBHZ-UHFFFAOYSA-N 0 0 319.478 3.188 10 30 DGEERN C=CCCN(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000342371652 527312240 /nfs/dbraw/zinc/31/22/40/527312240.db2.gz FYEAXXKXYOJZRI-CQSZACIVSA-N 0 0 312.417 3.459 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000337835909 527314448 /nfs/dbraw/zinc/31/44/48/527314448.db2.gz CBJBPEOZBYKRAL-KDOFPFPSSA-N 0 0 300.450 3.433 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC(CCCO)CC1 ZINC000351174677 527315804 /nfs/dbraw/zinc/31/58/04/527315804.db2.gz XXIIOFIOUSKQSJ-UHFFFAOYSA-N 0 0 320.481 3.042 10 30 DGEERN C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC ZINC000337807922 527325739 /nfs/dbraw/zinc/32/57/39/527325739.db2.gz IXGIFCAXDSFKMZ-UHFFFAOYSA-N 0 0 300.406 3.116 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000351919021 527333062 /nfs/dbraw/zinc/33/30/62/527333062.db2.gz LGDRPMYPYRQBEX-HOTGVXAUSA-N 0 0 311.466 3.005 10 30 DGEERN C=CCCOCCCCC(=O)Nc1ccc2nc(C)cn2c1 ZINC000342858304 527336661 /nfs/dbraw/zinc/33/66/61/527336661.db2.gz YAEFRPIVQFLNHT-UHFFFAOYSA-N 0 0 301.390 3.344 10 30 DGEERN C=CCCOCCNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000127484903 527348028 /nfs/dbraw/zinc/34/80/28/527348028.db2.gz TVRPRQPKNMSJPC-UHFFFAOYSA-N 0 0 300.402 3.078 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(CCOC)CC(C)C ZINC000424121691 527351366 /nfs/dbraw/zinc/35/13/66/527351366.db2.gz ICZQUVPMXDXQMU-AWEZNQCLSA-N 0 0 324.494 3.141 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)CC(F)(F)F ZINC000424131820 527352037 /nfs/dbraw/zinc/35/20/37/527352037.db2.gz WYSNSCOTEKAXKE-VIFPVBQESA-N 0 0 306.357 3.031 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000069317167 527403527 /nfs/dbraw/zinc/40/35/27/527403527.db2.gz YDKQTFYOYLZIPY-LLVKDONJSA-N 0 0 303.387 3.125 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000069313078 527404150 /nfs/dbraw/zinc/40/41/50/527404150.db2.gz TWHLUWLPZHEAQX-LLVKDONJSA-N 0 0 311.403 3.153 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000180894853 527421710 /nfs/dbraw/zinc/42/17/10/527421710.db2.gz CQHGIIDUKGZQMC-UHFFFAOYSA-N 0 0 311.366 3.153 10 30 DGEERN C=CCC[C@@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000358163121 527423219 /nfs/dbraw/zinc/42/32/19/527423219.db2.gz IBEARHRKWHJZIW-JKSUJKDBSA-N 0 0 309.413 3.133 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@H](C)c2csc(CC)n2)cc1 ZINC000296545881 527437439 /nfs/dbraw/zinc/43/74/39/527437439.db2.gz FMQNZHGPEXINAD-GFCCVEGCSA-N 0 0 313.426 3.247 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@]12CCOC2)c1ccccc1 ZINC000422197071 527439940 /nfs/dbraw/zinc/43/99/40/527439940.db2.gz XXJCOCMCNBBKMO-SJLPKXTDSA-N 0 0 300.402 3.268 10 30 DGEERN CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC1(C#N)CCCC1 ZINC000351349448 527440178 /nfs/dbraw/zinc/44/01/78/527440178.db2.gz HFELKYFBGMIKPC-UHFFFAOYSA-N 0 0 324.380 3.439 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000130555229 527458039 /nfs/dbraw/zinc/45/80/39/527458039.db2.gz JGNJFVSVTJZQRS-HNNXBMFYSA-N 0 0 323.400 3.039 10 30 DGEERN C=CCC[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)c1ccccc1 ZINC000435108770 527478872 /nfs/dbraw/zinc/47/88/72/527478872.db2.gz OOIILDDMUJUDBW-DDVAMESESA-N 0 0 322.474 3.150 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000425582146 527494114 /nfs/dbraw/zinc/49/41/14/527494114.db2.gz NJMVSRMYCTWSFW-BQFCYCMXSA-N 0 0 314.429 3.085 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccccc1 ZINC000425566986 527494199 /nfs/dbraw/zinc/49/41/99/527494199.db2.gz COJQIUVYFZNBNE-ULQDDVLXSA-N 0 0 300.402 3.124 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000425856684 527494690 /nfs/dbraw/zinc/49/46/90/527494690.db2.gz OSHMSCWLMYXBAM-IPYPFGDCSA-N 0 0 304.390 3.106 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000425409469 527496075 /nfs/dbraw/zinc/49/60/75/527496075.db2.gz WALZXBGPQVTMQO-BZSNNMDCSA-N 0 0 316.445 3.317 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC[C@@H](C)[S@@](C)=O ZINC000337608628 527507651 /nfs/dbraw/zinc/50/76/51/527507651.db2.gz SCAFNAQKQOLNCE-LRTDBIEQSA-N 0 0 308.447 3.084 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000442804838 527519246 /nfs/dbraw/zinc/51/92/46/527519246.db2.gz WUXFWQKISJMLBI-INIZCTEOSA-N 0 0 307.463 3.457 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338161376 527519669 /nfs/dbraw/zinc/51/96/69/527519669.db2.gz ZNVXQAPYKXYEGL-RBUKOAKNSA-N 0 0 301.430 3.141 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000189068886 527534058 /nfs/dbraw/zinc/53/40/58/527534058.db2.gz SPHOOCQFUCRHRJ-PXAZEXFGSA-N 0 0 309.381 3.240 10 30 DGEERN C=CCN(C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)C1CC1 ZINC000369547765 527540568 /nfs/dbraw/zinc/54/05/68/527540568.db2.gz CKJXBJNEKDUECJ-ZWKOTPCHSA-N 0 0 322.412 3.088 10 30 DGEERN C=CCN(C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1)C1CC1 ZINC000378387740 527540927 /nfs/dbraw/zinc/54/09/27/527540927.db2.gz FJNAJWBISMGHCE-DOTOQJQBSA-N 0 0 300.402 3.124 10 30 DGEERN C=CCN(C(=O)[C@H]1CC=CCC1)c1nc(C(=O)OCC)cs1 ZINC000337071510 527546776 /nfs/dbraw/zinc/54/67/76/527546776.db2.gz XHSOADMDJSWPGZ-LBPRGKRZSA-N 0 0 320.414 3.195 10 30 DGEERN C=CCN(C(=O)c1ccc2c(c1)nc(C(F)F)n2C)C1CC1 ZINC000337045326 527550549 /nfs/dbraw/zinc/55/05/49/527550549.db2.gz MDYREFZWNOABMK-UHFFFAOYSA-N 0 0 305.328 3.302 10 30 DGEERN C=C[C@H](CC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000131699382 527575454 /nfs/dbraw/zinc/57/54/54/527575454.db2.gz SYRNXTKIWSLOHQ-VQIMIIECSA-N 0 0 322.408 3.421 10 30 DGEERN C=CCN(CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C1CC1 ZINC000357550888 527582093 /nfs/dbraw/zinc/58/20/93/527582093.db2.gz HSWWEWWYTSVBBO-INIZCTEOSA-N 0 0 312.457 3.464 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1cccc(OC)c1F ZINC000285163288 527585308 /nfs/dbraw/zinc/58/53/08/527585308.db2.gz LRXYRHPWRQWXOT-UHFFFAOYSA-N 0 0 319.298 3.344 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000121383926 527588602 /nfs/dbraw/zinc/58/86/02/527588602.db2.gz BSEKCFVFWOHGKU-UHFFFAOYSA-N 0 0 302.296 3.101 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cncc(OC(C)C)c1 ZINC000155361000 527590285 /nfs/dbraw/zinc/59/02/85/527590285.db2.gz TXKZTXKTNLYNAO-UHFFFAOYSA-N 0 0 302.296 3.059 10 30 DGEERN C=CCN(CC1CCCCC1)S(=O)(=O)c1cnccc1C ZINC000331311061 527598528 /nfs/dbraw/zinc/59/85/28/527598528.db2.gz HOGXDADRXAARHP-UHFFFAOYSA-N 0 0 308.447 3.147 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000356395590 527612108 /nfs/dbraw/zinc/61/21/08/527612108.db2.gz UUMPYYXOWDRGNP-MRXNPFEDSA-N 0 0 303.337 3.094 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000154613077 527623871 /nfs/dbraw/zinc/62/38/71/527623871.db2.gz SDYNJAPOLOAWQL-OAHLLOKOSA-N 0 0 310.401 3.317 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000354653790 527636524 /nfs/dbraw/zinc/63/65/24/527636524.db2.gz DCPSVAKXXNVRFA-STQMWFEESA-N 0 0 321.726 3.387 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000417360551 527654962 /nfs/dbraw/zinc/65/49/62/527654962.db2.gz 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/nfs/dbraw/zinc/11/72/08/528117208.db2.gz LNZBELBLKBFSJY-DOTOQJQBSA-N 0 0 321.465 3.053 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)NCC2CCC(C#N)CC2)C1(C)C ZINC000442720588 528127367 /nfs/dbraw/zinc/12/73/67/528127367.db2.gz JVCXSKHWSLSEEJ-CKUJCDMFSA-N 0 0 321.465 3.161 10 30 DGEERN CCN(CCC#N)C(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000076903578 528354920 /nfs/dbraw/zinc/35/49/20/528354920.db2.gz BBMLZAZZRCYSKT-CYBMUJFWSA-N 0 0 307.825 3.095 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000358425562 528424559 /nfs/dbraw/zinc/42/45/59/528424559.db2.gz IOEGBPMNKHRXOQ-SFHVURJKSA-N 0 0 324.384 3.327 10 30 DGEERN CCC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000178593043 528435657 /nfs/dbraw/zinc/43/56/57/528435657.db2.gz SNHBFWGTXOLNJZ-UHFFFAOYSA-N 0 0 307.353 3.468 10 30 DGEERN CCCOc1ccc(CCC(=O)NC2(C#N)CCCC2)cc1 ZINC000173078349 528659224 /nfs/dbraw/zinc/65/92/24/528659224.db2.gz LLUOVQLRYGQQKX-UHFFFAOYSA-N 0 0 300.402 3.361 10 30 DGEERN CCOc1cccc2[nH]cc(CC(=O)Nc3cc(C#N)ccn3)c21 ZINC000436015984 528696829 /nfs/dbraw/zinc/69/68/29/528696829.db2.gz PAMDZTNXEKSNLM-UHFFFAOYSA-N 0 0 320.352 3.014 10 30 DGEERN CC(C)n1nnnc1CSCc1ccccc1C(C)(C)C#N ZINC000134091215 528702231 /nfs/dbraw/zinc/70/22/31/528702231.db2.gz DPPZORBUPSSMSS-UHFFFAOYSA-N 0 0 315.446 3.489 10 30 DGEERN CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H]1CC=CCC1 ZINC000329438150 528859117 /nfs/dbraw/zinc/85/91/17/528859117.db2.gz MHUQWTHBWYUHIO-INIZCTEOSA-N 0 0 321.465 3.122 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000358079903 529300261 /nfs/dbraw/zinc/30/02/61/529300261.db2.gz OIHFIANSZCCWCG-CYBMUJFWSA-N 0 0 315.398 3.144 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCN(C(C)=O)c2ccccc21 ZINC000185680762 546189723 /nfs/dbraw/zinc/18/97/23/546189723.db2.gz HAELYBIRJPSYIF-AWEZNQCLSA-N 0 0 300.402 3.379 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000320186758 546467087 /nfs/dbraw/zinc/46/70/87/546467087.db2.gz UBLGCIHLIMAEBI-VIFPVBQESA-N 0 0 313.781 3.361 10 30 DGEERN C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3cncnc3)cn2)CCC1=O ZINC000328696909 546481022 /nfs/dbraw/zinc/48/10/22/546481022.db2.gz DKQGWXRZJALWQU-VXGBXAGGSA-N 0 0 310.357 3.132 10 30 DGEERN CN(C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCC1 ZINC000328747792 546481453 /nfs/dbraw/zinc/48/14/53/546481453.db2.gz QFMRCRWGWNZZAX-CYBMUJFWSA-N 0 0 318.465 3.284 10 30 DGEERN Cc1nc([C@H](C)NC(=O)N2CCC(c3cc[nH]n3)CC2)cs1 ZINC000329145832 546483633 /nfs/dbraw/zinc/48/36/33/546483633.db2.gz AIAVUOCKRIKZCE-JTQLQIEISA-N 0 0 319.434 3.029 10 30 DGEERN Cc1nc([C@@H](C)NC(=O)c2cn(C3CC3)c(C)cc2=O)cs1 ZINC000329532526 546486843 /nfs/dbraw/zinc/48/68/43/546486843.db2.gz JYVWILTYTHZTPO-SNVBAGLBSA-N 0 0 317.414 3.322 10 30 DGEERN Cc1nc([C@H](C)NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cs1 ZINC000330244033 546496299 /nfs/dbraw/zinc/49/62/99/546496299.db2.gz XCMGVSSAVDQVJG-NDMJEZRESA-N 0 0 322.434 3.010 10 30 DGEERN Cc1nnsc1CNC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000330270225 546497197 /nfs/dbraw/zinc/49/71/97/546497197.db2.gz 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549811915 /nfs/dbraw/zinc/81/19/15/549811915.db2.gz MBMVUPKXWTWHCC-UHFFFAOYSA-N 0 0 301.358 3.050 10 30 DGEERN C=C(F)[C@@]1(CC(=O)OC)CCCN(C(=O)OC(C)(C)C)C1 ZINC000725259473 549811971 /nfs/dbraw/zinc/81/19/71/549811971.db2.gz BXMVNGLBUVWWLL-OAHLLOKOSA-N 0 0 301.358 3.050 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)CC[C@@H]2CCCO2)cc1 ZINC000730428457 574529029 /nfs/dbraw/zinc/52/90/29/574529029.db2.gz DORBALSPJJDZQQ-ZBFHGGJFSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@H](C)OCCC=C)cc1 ZINC000730428877 574529073 /nfs/dbraw/zinc/52/90/73/574529073.db2.gz HPSYGPXCXPEYKV-CABCVRRESA-N 0 0 302.370 3.284 10 30 DGEERN C=CCCOCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000730422104 574529348 /nfs/dbraw/zinc/52/93/48/574529348.db2.gz UFBHPZXKXBPADZ-LLVKDONJSA-N 0 0 304.346 3.204 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1nccs1 ZINC000730425377 574529439 /nfs/dbraw/zinc/52/94/39/574529439.db2.gz OFPUXHHQITULJY-CYBMUJFWSA-N 0 0 315.394 3.392 10 30 DGEERN C#CCOc1ccccc1OC(=O)COc1ccc(CC)cc1 ZINC000730510628 574530765 /nfs/dbraw/zinc/53/07/65/574530765.db2.gz YVVWFTXCCHIXFV-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)CC[C@H]2CCCO2)c1 ZINC000730702015 574534321 /nfs/dbraw/zinc/53/43/21/574534321.db2.gz XBJMOKYDFCLDRA-GOEBONIOSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccccc1OCc1ccc(F)cc1C(=O)OC ZINC000730566797 574531981 /nfs/dbraw/zinc/53/19/81/574531981.db2.gz IEBXQVIMMPDTQB-UHFFFAOYSA-N 0 0 314.312 3.203 10 30 DGEERN C#CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000730976796 574540590 /nfs/dbraw/zinc/54/05/90/574540590.db2.gz ZRKVAWBEXJIOLW-RTBURBONSA-N 0 0 321.376 3.449 10 30 DGEERN CCOc1ccc(/C=N\[C@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000731562854 574551757 /nfs/dbraw/zinc/55/17/57/574551757.db2.gz IMIDKUCLMRPYFP-IZQLPPHKSA-N 0 0 324.380 3.015 10 30 DGEERN C[C@@H](Cc1ccccc1)C(=O)OCCOc1ccc(C#N)cc1 ZINC000732580840 574576374 /nfs/dbraw/zinc/57/63/74/574576374.db2.gz GVJKEENOHOOSHH-HNNXBMFYSA-N 0 0 309.365 3.359 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)/C=C\C2CCOCC2)cc1 ZINC000732709461 574579504 /nfs/dbraw/zinc/57/95/04/574579504.db2.gz ATTTXOPBFQCNKK-KHSJVXASSA-N 0 0 314.381 3.286 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)C2CCSCC2)c1 ZINC000733053303 574593226 /nfs/dbraw/zinc/59/32/26/574593226.db2.gz FCWUWMRFHFTVDF-CYBMUJFWSA-N 0 0 304.411 3.446 10 30 DGEERN N#CCc1cccc(C(=O)OCc2noc(-c3ccccc3)n2)c1 ZINC000733107063 574597999 /nfs/dbraw/zinc/59/79/99/574597999.db2.gz ZBICCZCPKCPEQC-UHFFFAOYSA-N 0 0 319.320 3.160 10 30 DGEERN C#CCCNC(=O)c1cc(Br)cc2ccccc21 ZINC000733246058 574609785 /nfs/dbraw/zinc/60/97/85/574609785.db2.gz BWQNZDQSJHLJKL-UHFFFAOYSA-N 0 0 302.171 3.355 10 30 DGEERN C#CCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000733247499 574610102 /nfs/dbraw/zinc/61/01/02/574610102.db2.gz JXZGJEFKFZOIKO-UHFFFAOYSA-N 0 0 317.392 3.098 10 30 DGEERN C#CCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000733248152 574610104 /nfs/dbraw/zinc/61/01/04/574610104.db2.gz LRGFOVUJFDPCMD-UHFFFAOYSA-N 0 0 307.353 3.084 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000733287291 574612086 /nfs/dbraw/zinc/61/20/86/574612086.db2.gz AGDOLAGNWRLDSG-UHFFFAOYSA-N 0 0 301.349 3.050 10 30 DGEERN C#CCCNC(=O)c1cccc(C)c1NC(=O)c1ccccc1F ZINC000733287856 574612976 /nfs/dbraw/zinc/61/29/76/574612976.db2.gz SALCSMQQXDARCE-UHFFFAOYSA-N 0 0 324.355 3.140 10 30 DGEERN C#CCCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000733287854 574613016 /nfs/dbraw/zinc/61/30/16/574613016.db2.gz RWKBNWBDOKEZCE-UHFFFAOYSA-N 0 0 311.768 3.324 10 30 DGEERN C=CCNc1nc(C(=O)OCc2ncc(C(C)C)o2)cs1 ZINC000733408759 574620225 /nfs/dbraw/zinc/62/02/25/574620225.db2.gz BWSMBTHJWKDOCX-UHFFFAOYSA-N 0 0 307.375 3.209 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1F)c1ccccn1 ZINC000733691526 574634030 /nfs/dbraw/zinc/63/40/30/574634030.db2.gz VWCJKKZOKWZWNQ-SUMWQHHRSA-N 0 0 313.328 3.296 10 30 DGEERN C=CCCC(=O)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1 ZINC000733685390 574634207 /nfs/dbraw/zinc/63/42/07/574634207.db2.gz KFSXSCBCOHFTFG-AWEZNQCLSA-N 0 0 305.765 3.182 10 30 DGEERN C#CCCNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000733845777 574640269 /nfs/dbraw/zinc/64/02/69/574640269.db2.gz IDLSYXGWLILQFW-UHFFFAOYSA-N 0 0 320.698 3.426 10 30 DGEERN C=C(COC(=O)c1oc2ccc(F)cc2c1C)C(=O)OCC ZINC000734029049 574647395 /nfs/dbraw/zinc/64/73/95/574647395.db2.gz QDEDKNLOUGXSPE-UHFFFAOYSA-N 0 0 306.289 3.156 10 30 DGEERN C=C(COC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)OCC ZINC000734028201 574647474 /nfs/dbraw/zinc/64/74/74/574647474.db2.gz FNLMCYPQTNDQKC-UHFFFAOYSA-N 0 0 318.703 3.094 10 30 DGEERN C=C(COC(=O)c1[nH]c2ccccc2c1Cl)C(=O)OCC ZINC000734027790 574647553 /nfs/dbraw/zinc/64/75/53/574647553.db2.gz YNPJZFVUVCDIKO-UHFFFAOYSA-N 0 0 307.733 3.097 10 30 DGEERN C=C(COC(=O)C(C)(C)c1ccccc1Cl)C(=O)OCC ZINC000734031652 574647934 /nfs/dbraw/zinc/64/79/34/574647934.db2.gz ZEPICYMTGLRJEU-UHFFFAOYSA-N 0 0 310.777 3.280 10 30 DGEERN C=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC000734024826 574648313 /nfs/dbraw/zinc/64/83/13/574648313.db2.gz QIVHRHIEUWSCFD-UHFFFAOYSA-N 0 0 317.168 3.198 10 30 DGEERN COc1ccc(C=NNc2ccc(C)cn2)c(OC(F)F)c1 ZINC000734096387 574650854 /nfs/dbraw/zinc/65/08/54/574650854.db2.gz MTFQHRJVIZLQDD-UHFFFAOYSA-N 0 0 307.300 3.446 10 30 DGEERN C=CC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccncc1 ZINC000734460902 574663544 /nfs/dbraw/zinc/66/35/44/574663544.db2.gz SMFKDRHOHSICQU-OAHLLOKOSA-N 0 0 320.352 3.179 10 30 DGEERN CN(Cc1cscn1)Cc1cc(Cl)ccc1OCC#N ZINC000735309211 574696367 /nfs/dbraw/zinc/69/63/67/574696367.db2.gz AFJSPWKHFDBGLB-UHFFFAOYSA-N 0 0 307.806 3.331 10 30 DGEERN C[C@H](OCC1CC1)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735347014 574699164 /nfs/dbraw/zinc/69/91/64/574699164.db2.gz FXGPOQXYTUUUTL-NSHDSACASA-N 0 0 323.776 3.101 10 30 DGEERN C=CCCCOC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000735536267 574705720 /nfs/dbraw/zinc/70/57/20/574705720.db2.gz OJXYLCCAGSQZOM-UHFFFAOYSA-N 0 0 309.163 3.448 10 30 DGEERN C#CCCNC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000735626204 574709323 /nfs/dbraw/zinc/70/93/23/574709323.db2.gz FFCOWBJEUSRQRN-UHFFFAOYSA-N 0 0 304.749 3.251 10 30 DGEERN N#Cc1ccc(COC(=O)c2c[nH]c(-c3ccccc3)n2)cc1 ZINC000735958628 574723220 /nfs/dbraw/zinc/72/32/20/574723220.db2.gz OTKJPQXQVNWCMM-UHFFFAOYSA-N 0 0 303.321 3.305 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000735878161 574719574 /nfs/dbraw/zinc/71/95/74/574719574.db2.gz PYWQJEYQHPMAMV-UHFFFAOYSA-N 0 0 324.302 3.461 10 30 DGEERN C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)nc1 ZINC000736040684 574728996 /nfs/dbraw/zinc/72/89/96/574728996.db2.gz FDOALHJCJFHLCM-JTQLQIEISA-N 0 0 302.736 3.346 10 30 DGEERN C=CCCCN(C)Cn1cc(C)n(-c2ccc(Cl)cc2)c1=O ZINC000736582084 574759586 /nfs/dbraw/zinc/75/95/86/574759586.db2.gz HNEWPHMATFMBCO-UHFFFAOYSA-N 0 0 319.836 3.456 10 30 DGEERN C#CCN(CC#CC)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000742004192 574813916 /nfs/dbraw/zinc/81/39/16/574813916.db2.gz UIDCSOIPCYLVCA-UHFFFAOYSA-N 0 0 312.756 3.094 10 30 DGEERN Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cnn2ccccc12 ZINC000739423917 574902776 /nfs/dbraw/zinc/90/27/76/574902776.db2.gz FLTBUXHQPHKYCX-SOFGYWHQSA-N 0 0 307.309 3.447 10 30 DGEERN C=C(COC(=O)[C@H](CC(C)C)c1ccccc1)C(=O)OCC ZINC000741051829 574950191 /nfs/dbraw/zinc/95/01/91/574950191.db2.gz RWKXUFMYLNVRJB-MRXNPFEDSA-N 0 0 304.386 3.479 10 30 DGEERN C(=NNc1cnnc2ccccc21)c1cnc(-c2ccccc2)[nH]1 ZINC000741459452 574958332 /nfs/dbraw/zinc/95/83/32/574958332.db2.gz ATAWSSZMXOVSLG-UHFFFAOYSA-N 0 0 314.352 3.466 10 30 DGEERN C#CCCNC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000741563493 574963204 /nfs/dbraw/zinc/96/32/04/574963204.db2.gz FFSPRPUHFDUUOE-UHFFFAOYSA-N 0 0 311.385 3.078 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000741519424 574961455 /nfs/dbraw/zinc/96/14/55/574961455.db2.gz NQSXVXWCHADEBW-AWEZNQCLSA-N 0 0 309.365 3.198 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)C[C@H](C)n1cccc1 ZINC000741641372 574965137 /nfs/dbraw/zinc/96/51/37/574965137.db2.gz PAKTVDFRWNQECJ-ZDUSSCGKSA-N 0 0 300.333 3.229 10 30 DGEERN C=CCSCCNC(=O)c1ccc(-c2ccccc2)n1C ZINC000742056972 574980356 /nfs/dbraw/zinc/98/03/56/574980356.db2.gz MYQQJWNUMUVCQQ-UHFFFAOYSA-N 0 0 300.427 3.341 10 30 DGEERN C#Cc1ccc(C(=O)OCc2ccc(Br)s2)cn1 ZINC000729031474 575211011 /nfs/dbraw/zinc/21/10/11/575211011.db2.gz JNULYLMFVBHZSC-UHFFFAOYSA-N 0 0 322.183 3.244 10 30 DGEERN C=CCCOC(=O)c1cc(C)ccc1I ZINC000729074306 575214104 /nfs/dbraw/zinc/21/41/04/575214104.db2.gz PWMIWHVCCPTATL-UHFFFAOYSA-N 0 0 316.138 3.333 10 30 DGEERN C=CCCOC(=O)CSc1nccn1-c1ccccc1C ZINC000729072159 575214143 /nfs/dbraw/zinc/21/41/43/575214143.db2.gz AEIXCBDATVVXMT-UHFFFAOYSA-N 0 0 302.399 3.392 10 30 DGEERN Cc1cccc(C)c1NC(=S)NN=Cc1cnn2ccccc12 ZINC000729634042 575257835 /nfs/dbraw/zinc/25/78/35/575257835.db2.gz XEVHCUWFOOEXKP-UHFFFAOYSA-N 0 0 323.425 3.272 10 30 DGEERN COc1cc(C)cc2c1OC/C(=C\c1cnn3ccccc13)C2=O ZINC000729643900 575258382 /nfs/dbraw/zinc/25/83/82/575258382.db2.gz KJJBXQYZXBQAGK-NTEUORMPSA-N 0 0 320.348 3.310 10 30 DGEERN C=CCCC(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000726651506 576034997 /nfs/dbraw/zinc/03/49/97/576034997.db2.gz FINBGMAJAJQAIO-HNNXBMFYSA-N 0 0 303.402 3.322 10 30 DGEERN CC(=NNc1ccc(Br)cn1)c1scnc1C ZINC000727263357 576116814 /nfs/dbraw/zinc/11/68/14/576116814.db2.gz ZKUDGRHCTYYALR-UHFFFAOYSA-N 0 0 311.208 3.445 10 30 DGEERN CCCc1ccc(C(=O)OCCNc2ncccc2C#N)cc1 ZINC000727774891 576144428 /nfs/dbraw/zinc/14/44/28/576144428.db2.gz TVUFSVLRUMZRCI-UHFFFAOYSA-N 0 0 309.369 3.175 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cscn1 ZINC000728301949 576174430 /nfs/dbraw/zinc/17/44/30/576174430.db2.gz ZRVGKHAUFFLGDL-OAHLLOKOSA-N 0 0 316.382 3.162 10 30 DGEERN C=C(Br)CNC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000728749853 576198581 /nfs/dbraw/zinc/19/85/81/576198581.db2.gz YBZQFYUGLFHSAU-NEPJUHHUSA-N 0 0 303.244 3.409 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000154521024 620684417 /nfs/dbraw/zinc/68/44/17/620684417.db2.gz DSKXOOUOAQRLGK-JTQLQIEISA-N 0 0 316.279 3.118 10 30 DGEERN N#C[C@H](COC(=O)C[C@@H]1CSCCS1)Cc1ccccc1 ZINC000155015408 620755637 /nfs/dbraw/zinc/75/56/37/620755637.db2.gz LEVXKHVXPQFJTG-HUUCEWRRSA-N 0 0 321.467 3.151 10 30 DGEERN CCOc1cc([C@H](CC=O)NC(=O)OC(C)(C)C)ccc1OC ZINC000218503345 618616602 /nfs/dbraw/zinc/61/66/02/618616602.db2.gz NXLLWFIJJGKGAL-ZDUSSCGKSA-N 0 0 323.389 3.249 10 30 DGEERN C#Cc1ccc(C(=O)OCc2nc(-c3ccsc3)oc2C)nc1 ZINC000729006869 619098469 /nfs/dbraw/zinc/09/84/69/619098469.db2.gz MXFVMOYVODUGJF-UHFFFAOYSA-N 0 0 324.361 3.445 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000151403293 620444982 /nfs/dbraw/zinc/44/49/82/620444982.db2.gz VMUZONAXZQSISJ-HNNXBMFYSA-N 0 0 310.401 3.036 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC1CCC1 ZINC000152016779 620487835 /nfs/dbraw/zinc/48/78/35/620487835.db2.gz BPVAPJLVZWLQPT-UHFFFAOYSA-N 0 0 317.389 3.483 10 30 DGEERN C#C[C@@H](OC(=O)C1(c2cccc(Br)c2)CC1)C1CC1 ZINC000152423895 620506349 /nfs/dbraw/zinc/50/63/49/620506349.db2.gz UJXNKSNZJNHQFC-CQSZACIVSA-N 0 0 319.198 3.436 10 30 DGEERN C#C[C@H](OC(=O)CCSc1ccc(OC)c(OC)c1)C1CC1 ZINC000152596805 620513954 /nfs/dbraw/zinc/51/39/54/620513954.db2.gz KYPZKDSCNUQMJS-AWEZNQCLSA-N 0 0 320.410 3.141 10 30 DGEERN C#C[C@H](OC(=O)CCc1ccc(Br)cc1)C1CC1 ZINC000152739213 620520430 /nfs/dbraw/zinc/52/04/30/620520430.db2.gz UYPDABUWDXPJKF-AWEZNQCLSA-N 0 0 307.187 3.337 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)O[C@H]1COc2ccccc21 ZINC000153106649 620533504 /nfs/dbraw/zinc/53/35/04/620533504.db2.gz RXZQQYXYIXSILS-SJCJKPOMSA-N 0 0 309.321 3.002 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccc(F)cc1)Cc1cccs1 ZINC000153299979 620547362 /nfs/dbraw/zinc/54/73/62/620547362.db2.gz XPXVJMMLECRVBP-CYBMUJFWSA-N 0 0 303.358 3.355 10 30 DGEERN C[C@H](CC1CCCC1)C(=O)OCCNc1ncccc1C#N ZINC000114622342 621024607 /nfs/dbraw/zinc/02/46/07/621024607.db2.gz KYMMYWVWIJYWAE-CYBMUJFWSA-N 0 0 301.390 3.125 10 30 DGEERN C[C@@H](CC1CCCC1)C(=O)OCCNc1ncccc1C#N ZINC000114622340 621024816 /nfs/dbraw/zinc/02/48/16/621024816.db2.gz KYMMYWVWIJYWAE-ZDUSSCGKSA-N 0 0 301.390 3.125 10 30 DGEERN C=CCc1ccccc1OC(=O)c1cccc(-n2cncn2)c1 ZINC000115902134 621157766 /nfs/dbraw/zinc/15/77/66/621157766.db2.gz XUXBJBPBZUVBAE-UHFFFAOYSA-N 0 0 305.337 3.215 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1ccc(C#N)nc1 ZINC000115902120 621157880 /nfs/dbraw/zinc/15/78/80/621157880.db2.gz YZKAZQVJUUHUJS-UHFFFAOYSA-N 0 0 308.337 3.300 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000103031371 621223991 /nfs/dbraw/zinc/22/39/91/621223991.db2.gz IIIZOMOSMLDQTQ-UHFFFAOYSA-N 0 0 300.339 3.223 10 30 DGEERN C#CCN(C(=O)NCCCc1cccc(F)c1)C1CCCC1 ZINC000120972776 622076545 /nfs/dbraw/zinc/07/65/45/622076545.db2.gz YXNDXUINFQEFNT-UHFFFAOYSA-N 0 0 302.393 3.346 10 30 DGEERN Cn1cc(C(=O)/C=C/c2ccc(Br)c(F)c2)cn1 ZINC000122193514 622252821 /nfs/dbraw/zinc/25/28/21/622252821.db2.gz HLQXXOTXHXLEGF-HWKANZROSA-N 0 0 309.138 3.218 10 30 DGEERN Oc1ccc(/C=N/CCCCOCc2ccccc2)c(O)c1O ZINC000122219642 622262402 /nfs/dbraw/zinc/26/24/02/622262402.db2.gz DNLLSCGOBACIPU-XDHOZWIPSA-N 0 0 315.369 3.219 10 30 DGEERN N#Cc1cc(NC[C@H]2CSCCS2)nc2ccccc12 ZINC000122376683 622309831 /nfs/dbraw/zinc/30/98/31/622309831.db2.gz BFMWRQHRFPSWDX-LBPRGKRZSA-N 0 0 301.440 3.367 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000122820418 622412835 /nfs/dbraw/zinc/41/28/35/622412835.db2.gz TXKSUZKOPQYDGU-XJKSGUPXSA-N 0 0 314.385 3.119 10 30 DGEERN C=C(Br)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000129419825 625623942 /nfs/dbraw/zinc/62/39/42/625623942.db2.gz BHACIWUUJNAQMD-UHFFFAOYSA-N 0 0 303.163 3.034 10 30 DGEERN C#C[C@H](C)OC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000125310190 623421455 /nfs/dbraw/zinc/42/14/55/623421455.db2.gz ALDKKWONQQQJOH-QLFBSQMISA-N 0 0 323.433 3.225 10 30 DGEERN CCCCCCCC(=O)OCCn1cnc2ccsc2c1=O ZINC000126168678 623715068 /nfs/dbraw/zinc/71/50/68/623715068.db2.gz YSMQYVHRDBDECV-UHFFFAOYSA-N 0 0 322.430 3.362 10 30 DGEERN CCCN(CC)c1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cn1 ZINC000127170106 624299596 /nfs/dbraw/zinc/29/95/96/624299596.db2.gz KZYSENXVQJGHQK-ZDUSSCGKSA-N 0 0 303.406 3.413 10 30 DGEERN Cc1ccccc1SCCS(=O)(=O)c1cccc(C#N)c1 ZINC000128529684 624990013 /nfs/dbraw/zinc/99/00/13/624990013.db2.gz KGJZNWPARGGJJO-UHFFFAOYSA-N 0 0 317.435 3.433 10 30 DGEERN C=CCOc1ccc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc1 ZINC000133310732 626781333 /nfs/dbraw/zinc/78/13/33/626781333.db2.gz GIELIDOVZUHNTG-OWBHPGMISA-N 0 0 307.349 3.152 10 30 DGEERN C#C[C@H](OC(=O)CCC(=O)CCC(=O)c1cccs1)C1CC1 ZINC000133980792 626848998 /nfs/dbraw/zinc/84/89/98/626848998.db2.gz PVODDOZUVGVUPJ-HNNXBMFYSA-N 0 0 318.394 3.015 10 30 DGEERN C#C[C@H](OC(=O)CCCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000134166359 626861186 /nfs/dbraw/zinc/86/11/86/626861186.db2.gz KDXBCFOQXLXJDM-KRWDZBQOSA-N 0 0 300.354 3.003 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cccc(S(=O)(=O)CC)c1)C1CC1 ZINC000136394822 627063446 /nfs/dbraw/zinc/06/34/46/627063446.db2.gz SQSBBXIYGMHVAF-MRXNPFEDSA-N 0 0 322.426 3.382 10 30 DGEERN C#CCOCCC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000121410610 629942629 /nfs/dbraw/zinc/94/26/29/629942629.db2.gz BCIVNYFMXVLKPT-SECBINFHSA-N 0 0 318.175 3.350 10 30 DGEERN C=CCOc1ccc([C@@H]2Nc3ccc(OC)cc3C(=O)N2C)cc1 ZINC000102418203 630104357 /nfs/dbraw/zinc/10/43/57/630104357.db2.gz ANYBCWLYZFAUEC-GOSISDBHSA-N 0 0 324.380 3.456 10 30 DGEERN C#CCN(C(=O)NC[C@H](C)Oc1ccccc1)C1CCCC1 ZINC000121451740 630145973 /nfs/dbraw/zinc/14/59/73/630145973.db2.gz FYFBYBHLMBASLZ-HNNXBMFYSA-N 0 0 300.402 3.041 10 30 DGEERN CC(=O)c1cccc(OCCCC(=O)O[C@@H](C#N)C(C)C)c1 ZINC000121472585 630180838 /nfs/dbraw/zinc/18/08/38/630180838.db2.gz DBPLJXWXAQLTJQ-INIZCTEOSA-N 0 0 303.358 3.140 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(C#N)cc2)c1 ZINC000106931711 631488863 /nfs/dbraw/zinc/48/88/63/631488863.db2.gz KUSRASPDKYQGIP-ZWKOTPCHSA-N 0 0 307.349 3.414 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000107190632 631559756 /nfs/dbraw/zinc/55/97/56/631559756.db2.gz HWKXGUIMBGKYGY-IAGOWNOFSA-N 0 0 322.360 3.416 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCc1ccccc1F ZINC000108626748 631910010 /nfs/dbraw/zinc/91/00/10/631910010.db2.gz DORCSEDHJSWKTM-ZDUSSCGKSA-N 0 0 313.328 3.251 10 30 DGEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000108832037 631946661 /nfs/dbraw/zinc/94/66/61/631946661.db2.gz YGEGUJXFVCGSSU-SFHVURJKSA-N 0 0 307.397 3.435 10 30 DGEERN COc1cc(/C=C/C(=O)c2cncc(C)c2)cc2c1OCCO2 ZINC000184762020 660185677 /nfs/dbraw/zinc/18/56/77/660185677.db2.gz KLOFOHLYLIWVED-ONEGZZNKSA-N 0 0 311.337 3.066 10 30 DGEERN CC(C)(CC#N)COC(=O)CCC(=O)c1ccc(F)cc1F ZINC000184823321 660188771 /nfs/dbraw/zinc/18/87/71/660188771.db2.gz QAKRLSUOZWRPCE-UHFFFAOYSA-N 0 0 309.312 3.411 10 30 DGEERN Cc1cccnc1/C=C/C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000185265938 660212395 /nfs/dbraw/zinc/21/23/95/660212395.db2.gz VFXNUTNTMJEAPK-FDMDGMSGSA-N 0 0 324.355 3.468 10 30 DGEERN C#CCCCCCOC(=O)Cc1csc(-c2cccnc2)n1 ZINC000185337161 660215775 /nfs/dbraw/zinc/21/57/75/660215775.db2.gz FEXKVPFEEDTIFA-UHFFFAOYSA-N 0 0 314.410 3.484 10 30 DGEERN C#CCC(C)(C)COC(=O)c1cnc(-c2ccncc2)s1 ZINC000185350968 660217462 /nfs/dbraw/zinc/21/74/62/660217462.db2.gz ROGUAZVCOKHFDC-UHFFFAOYSA-N 0 0 300.383 3.411 10 30 DGEERN O=C1c2ccc(O)cc2O/C1=C\c1c(Cl)nc2sccn12 ZINC000073116313 660242493 /nfs/dbraw/zinc/24/24/93/660242493.db2.gz XLQWASPMPHXIMZ-WDZFZDKYSA-N 0 0 318.741 3.371 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccn1 ZINC000073294391 660261342 /nfs/dbraw/zinc/26/13/42/660261342.db2.gz VGJKOCBOYJBEMW-QAPCUYQASA-N 0 0 309.365 3.465 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1ccc(OC)cc1)c1ccccn1 ZINC000073293947 660261358 /nfs/dbraw/zinc/26/13/58/660261358.db2.gz ZGOULHYWHFSCEN-GOSISDBHSA-N 0 0 309.365 3.331 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000131312566 660303391 /nfs/dbraw/zinc/30/33/91/660303391.db2.gz QCSZFWQXUGTHLW-KOLCDFICSA-N 0 0 314.168 3.063 10 30 DGEERN CCN(C[C@@H](C)C#N)Cn1nc(C(F)(F)F)sc1=S ZINC000188653881 660336391 /nfs/dbraw/zinc/33/63/91/660336391.db2.gz GBDLKZATFXRNIR-ZETCQYMHSA-N 0 0 310.370 3.132 10 30 DGEERN COc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1NC(C)=O ZINC000186408015 660383194 /nfs/dbraw/zinc/38/31/94/660383194.db2.gz RGAXYCKVZFVXPZ-ZZXKWVIFSA-N 0 0 314.316 3.084 10 30 DGEERN Cc1ccc(CCC(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000073973220 660578647 /nfs/dbraw/zinc/57/86/47/660578647.db2.gz JBDCWPSEPUENAC-INIZCTEOSA-N 0 0 322.412 3.122 10 30 DGEERN CCCOc1ccc(OCC(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000073971886 660578733 /nfs/dbraw/zinc/57/87/33/660578733.db2.gz SYWHRDGXEUUATE-MRXNPFEDSA-N 0 0 310.353 3.126 10 30 DGEERN CC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000029737868 660581898 /nfs/dbraw/zinc/58/18/98/660581898.db2.gz SIOAMJAGYPEHDL-CYBMUJFWSA-N 0 0 309.321 3.134 10 30 DGEERN C#C[C@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000700595954 660630255 /nfs/dbraw/zinc/63/02/55/660630255.db2.gz WHIDAFBGRZHLQD-NSHDSACASA-N 0 0 312.196 3.244 10 30 DGEERN Cc1ccc(/C=C/C(=O)N[C@H](C#N)C(C)C)c(Br)c1 ZINC000701310821 660662705 /nfs/dbraw/zinc/66/27/05/660662705.db2.gz NHYHELHVWLUCQR-PSKZRQQASA-N 0 0 321.218 3.435 10 30 DGEERN C#C[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000704241660 660806546 /nfs/dbraw/zinc/80/65/46/660806546.db2.gz SVVIIMZWDCCDKE-NSHDSACASA-N 0 0 302.424 3.357 10 30 DGEERN C=CCC[C@H](CO)Nc1nc2cc(Br)ccc2o1 ZINC000705844904 660838575 /nfs/dbraw/zinc/83/85/75/660838575.db2.gz KUWBGEJIBAXICN-SNVBAGLBSA-N 0 0 311.179 3.329 10 30 DGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000175721124 655532177 /nfs/dbraw/zinc/53/21/77/655532177.db2.gz YUJQIPJRTUNQIP-KGLIPLIRSA-N 0 0 306.192 3.192 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)Cc1ccc(OC)cc1 ZINC000187593276 655551957 /nfs/dbraw/zinc/55/19/57/655551957.db2.gz HZCTZJINCJENPC-KSSFIOAISA-N 0 0 306.402 3.398 10 30 DGEERN C=C(C)CCOC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000255014798 655561334 /nfs/dbraw/zinc/56/13/34/655561334.db2.gz RYMWNCHMRVEGQU-WAYWQWQTSA-N 0 0 315.373 3.240 10 30 DGEERN C[C@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccc(C#N)cc1 ZINC000175780893 655576631 /nfs/dbraw/zinc/57/66/31/655576631.db2.gz AMCIZRNUNPJQGJ-ZDUSSCGKSA-N 0 0 318.336 3.057 10 30 DGEERN Fc1nc(F)c(F)c(N2CCS[C@@H](C(F)(F)F)C2)c1F ZINC000721424339 655585646 /nfs/dbraw/zinc/58/56/46/655585646.db2.gz AMOGHUBBSOOZHE-SCSAIBSYSA-N 0 0 320.233 3.122 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)/C=C\c1ccccc1C#N ZINC000255172147 655628127 /nfs/dbraw/zinc/62/81/27/655628127.db2.gz UTHYPJMQRONKIP-CLFYSBASSA-N 0 0 311.772 3.278 10 30 DGEERN COc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1NC(C)=O ZINC000255174484 655628504 /nfs/dbraw/zinc/62/85/04/655628504.db2.gz ZMTMCKZOMPJFFD-VURMDHGXSA-N 0 0 311.337 3.255 10 30 DGEERN N#Cc1cccc(CN2CCS[C@H](C(F)(F)F)C2)c1F ZINC000721442696 655648765 /nfs/dbraw/zinc/64/87/65/655648765.db2.gz ULBKNFVMFXVLIQ-NSHDSACASA-N 0 0 304.312 3.177 10 30 DGEERN C=C[C@@H](C)OC(=O)CSc1nnc(-c2cccs2)n1CC ZINC000187637701 655650129 /nfs/dbraw/zinc/65/01/29/655650129.db2.gz JWKUMWYCXUVVIL-SNVBAGLBSA-N 0 0 323.443 3.236 10 30 DGEERN O=C1c2ccc(O)cc2OC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000255312833 655697733 /nfs/dbraw/zinc/69/77/33/655697733.db2.gz CJGJCMKFFSOJNA-PXNMLYILSA-N 0 0 304.305 3.399 10 30 DGEERN COc1ccc(O)c(/C=N\CCOc2ccc(F)cc2F)c1 ZINC000255392670 655727855 /nfs/dbraw/zinc/72/78/55/655727855.db2.gz XBQLPTDDXWYQHG-GRSHGNNSSA-N 0 0 307.296 3.177 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176127103 655736353 /nfs/dbraw/zinc/73/63/53/655736353.db2.gz KUSXIXJPBLHSAD-AWEZNQCLSA-N 0 0 311.341 3.319 10 30 DGEERN C[C@@](O)(CNc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000724036263 655737587 /nfs/dbraw/zinc/73/75/87/655737587.db2.gz LJPVWLOPMDCHSN-SECBINFHSA-N 0 0 305.193 3.325 10 30 DGEERN C=C(Br)COC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255425480 655746840 /nfs/dbraw/zinc/74/68/40/655746840.db2.gz QNNDKUIZCFNPLJ-IHWYPQMZSA-N 0 0 302.555 3.200 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)NC/C=C/c2ccccc2)c1 ZINC000176669801 655776112 /nfs/dbraw/zinc/77/61/12/655776112.db2.gz HWHRWKQXYRVJNB-QPJJXVBHSA-N 0 0 309.344 3.210 10 30 DGEERN C=CCCC(=O)Nc1sc2c(c1C(N)=O)CCC(C)(C)C2 ZINC000161653038 655810819 /nfs/dbraw/zinc/81/08/19/655810819.db2.gz CILNLSAEJQYGNG-UHFFFAOYSA-N 0 0 306.431 3.267 10 30 DGEERN N#C[C@@H](NC(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000712556791 661189505 /nfs/dbraw/zinc/18/95/05/661189505.db2.gz PFMRKJQDESZEIJ-SNVBAGLBSA-N 0 0 302.683 3.391 10 30 DGEERN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C=CC(C)(C)C ZINC000255572075 655818291 /nfs/dbraw/zinc/81/82/91/655818291.db2.gz NNLFZSWMYCBBLH-OEYXZAGESA-N 0 0 314.385 3.335 10 30 DGEERN CON=Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1 ZINC000255583049 655839346 /nfs/dbraw/zinc/83/93/46/655839346.db2.gz HPBYGTBTKBAQEG-KRWDZBQOSA-N 0 0 312.344 3.223 10 30 DGEERN C#CC[C@@H](OC(=O)CSCC(=O)OC(C)(C)C)C(C)(C)C ZINC000159782865 655851590 /nfs/dbraw/zinc/85/15/90/655851590.db2.gz YIGWERDYBWRQOF-GFCCVEGCSA-N 0 0 314.447 3.043 10 30 DGEERN Cc1ccc([C@@H](C)OC(=O)c2ccc(C#N)cn2)cc1[N+](=O)[O-] ZINC000176942802 655879528 /nfs/dbraw/zinc/87/95/28/655879528.db2.gz KEWZTPICLWSKLZ-LLVKDONJSA-N 0 0 311.297 3.088 10 30 DGEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)C1CCOCC1 ZINC000179367098 655889656 /nfs/dbraw/zinc/88/96/56/655889656.db2.gz UBZWXLGXWWVUNJ-JTQLQIEISA-N 0 0 323.776 3.188 10 30 DGEERN Oc1ccccc1/C=N\[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000255829223 655908276 /nfs/dbraw/zinc/90/82/76/655908276.db2.gz AXQZMNPDYLGUFY-CFFVULROSA-N 0 0 302.324 3.368 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@@H](C)Sc2nncn2C)CC1 ZINC000177695412 655940433 /nfs/dbraw/zinc/94/04/33/655940433.db2.gz YSWFNVHIXMKBNK-OCCSQVGLSA-N 0 0 321.446 3.142 10 30 DGEERN C#CC[C@H](OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000177733461 655943879 /nfs/dbraw/zinc/94/38/79/655943879.db2.gz HWBJSHHZJJYMMH-HNNXBMFYSA-N 0 0 323.433 3.225 10 30 DGEERN N#CCOc1cc(F)ccc1NC(=O)NCCC1CCCC1 ZINC000178150523 655956015 /nfs/dbraw/zinc/95/60/15/655956015.db2.gz NJAWXIDUEIDFEK-UHFFFAOYSA-N 0 0 305.353 3.430 10 30 DGEERN COC(=O)c1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000255907304 655964387 /nfs/dbraw/zinc/96/43/87/655964387.db2.gz ORTVVLWWTDDYRH-NDENLUEZSA-N 0 0 320.348 3.346 10 30 DGEERN N#Cc1cc(Br)cnc1NCC[C@H]1CCCS1 ZINC000715706881 661213850 /nfs/dbraw/zinc/21/38/50/661213850.db2.gz QVQHYWCCONTOLX-LLVKDONJSA-N 0 0 312.236 3.413 10 30 DGEERN Cc1cccnc1/C=C/C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000185302580 656125555 /nfs/dbraw/zinc/12/55/55/656125555.db2.gz JGGZPFQEOMUKPY-OAGJVSPASA-N 0 0 306.365 3.329 10 30 DGEERN C[C@H](Cc1ccc(Br)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000162410286 656142925 /nfs/dbraw/zinc/14/29/25/656142925.db2.gz KUKDMWOZZYQOSW-QMTHXVAHSA-N 0 0 322.202 3.473 10 30 DGEERN CCCCCCC(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 ZINC000192974209 656183783 /nfs/dbraw/zinc/18/37/83/656183783.db2.gz BSCXSMFTPODOCU-UHFFFAOYSA-N 0 0 310.394 3.013 10 30 DGEERN C#CCN(C(=O)NCCSc1ccccc1)C1CCCC1 ZINC000162689033 656189734 /nfs/dbraw/zinc/18/97/34/656189734.db2.gz INISLCAPWVRALW-UHFFFAOYSA-N 0 0 302.443 3.366 10 30 DGEERN C#CC[C@@H](COC)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000716961811 661236366 /nfs/dbraw/zinc/23/63/66/661236366.db2.gz GWWFSRVYYMZQOA-SFHVURJKSA-N 0 0 323.392 3.034 10 30 DGEERN C[S@](=O)Cc1cccc(C(=O)OCC(C)(C)CCC#N)c1 ZINC000195071900 656208680 /nfs/dbraw/zinc/20/86/80/656208680.db2.gz LYYQORDQNSJWMO-NRFANRHFSA-N 0 0 307.415 3.052 10 30 DGEERN CCCCCCCS(=O)(=O)NCc1csc(CC)n1 ZINC000195234286 656210941 /nfs/dbraw/zinc/21/09/41/656210941.db2.gz YJRPWPBRINZYHM-UHFFFAOYSA-N 0 0 304.481 3.095 10 30 DGEERN N#CCOc1cc(F)ccc1NC(=O)CCc1ccccc1O ZINC000119945212 661243023 /nfs/dbraw/zinc/24/30/23/661243023.db2.gz QIHYMQVPPXBJTA-UHFFFAOYSA-N 0 0 314.316 3.005 10 30 DGEERN Cc1nc(NC(=O)/C=C/c2ccccc2C#N)cc(C2CC2)n1 ZINC000178593868 656944875 /nfs/dbraw/zinc/94/48/75/656944875.db2.gz BUJMGZUGNAIWAF-CMDGGOBGSA-N 0 0 304.353 3.186 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc2c(c1)CCN2C(C)=O)C1CC1 ZINC000159513031 656993269 /nfs/dbraw/zinc/99/32/69/656993269.db2.gz MJCPADNJGXVEHR-SFHVURJKSA-N 0 0 313.397 3.497 10 30 DGEERN C#CCN(C(=O)c1ccc(C(F)(F)F)cc1O)C1CCCC1 ZINC000180706610 657366826 /nfs/dbraw/zinc/36/68/26/657366826.db2.gz YSBISIBNEXBWBY-UHFFFAOYSA-N 0 0 311.303 3.429 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cnn(CC(C)C)c1C ZINC000191131138 657370708 /nfs/dbraw/zinc/37/07/08/657370708.db2.gz DEHZOKTWZZQUSY-KRWDZBQOSA-N 0 0 308.422 3.233 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)CCc1cccc2c1OCO2 ZINC000191121857 657370793 /nfs/dbraw/zinc/37/07/93/657370793.db2.gz GPCBZMAGEPEZCU-GOSISDBHSA-N 0 0 320.385 3.120 10 30 DGEERN C#C[C@H](C)OC(=O)CCCCOc1ccc(C(=O)CC)cc1 ZINC000182983459 657375722 /nfs/dbraw/zinc/37/57/22/657375722.db2.gz HKXIWVKWZRBVPB-AWEZNQCLSA-N 0 0 302.370 3.393 10 30 DGEERN C=C(Br)CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000049286718 657380534 /nfs/dbraw/zinc/38/05/34/657380534.db2.gz YWBJOEJGXVKQAB-ZDUSSCGKSA-N 0 0 309.207 3.272 10 30 DGEERN CCOC1CC(CC(=O)OC[C@H](C#N)Cc2ccc(F)cc2)C1 ZINC000191030351 657385951 /nfs/dbraw/zinc/38/59/51/657385951.db2.gz QQUVPXIHXYWSRY-CKDBGZEDSA-N 0 0 319.376 3.256 10 30 DGEERN C=CCNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000304998712 657664049 /nfs/dbraw/zinc/66/40/49/657664049.db2.gz GOZCGYYZHQOMTI-INIZCTEOSA-N 0 0 316.426 3.179 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000098114897 657898285 /nfs/dbraw/zinc/89/82/85/657898285.db2.gz SSCCJSOVABFDKR-ZWKOTPCHSA-N 0 0 320.392 3.345 10 30 DGEERN N#CC1(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000191277205 658718621 /nfs/dbraw/zinc/71/86/21/658718621.db2.gz GEVQNVPRZXGXOO-UHFFFAOYSA-N 0 0 306.287 3.009 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000067801034 658745416 /nfs/dbraw/zinc/74/54/16/658745416.db2.gz VLJITOITWOAZDV-KBPBESRZSA-N 0 0 320.385 3.261 10 30 DGEERN C#CCN(C(=O)NCCc1cccc(OCC)c1)C1CCCC1 ZINC000155859730 658853272 /nfs/dbraw/zinc/85/32/72/658853272.db2.gz APGPNBAZESVRPN-UHFFFAOYSA-N 0 0 314.429 3.215 10 30 DGEERN C#CCN(C(=O)c1cnn(-c2ccccc2C)c1)C1CCCC1 ZINC000163952407 658910351 /nfs/dbraw/zinc/91/03/51/658910351.db2.gz ZXPIEMWYQIWSNI-UHFFFAOYSA-N 0 0 307.397 3.199 10 30 DGEERN C#CCN(C(=O)Cc1coc2cc(OC)ccc12)C1CCCC1 ZINC000163928652 658910390 /nfs/dbraw/zinc/91/03/90/658910390.db2.gz FWOXRJWXHUIRAZ-UHFFFAOYSA-N 0 0 311.381 3.388 10 30 DGEERN C#CCN(C(=O)[C@@H]1SCCc2sccc21)C1CCCC1 ZINC000164089576 658915454 /nfs/dbraw/zinc/91/54/54/658915454.db2.gz QGQFWRSDLYPZMV-OAHLLOKOSA-N 0 0 305.468 3.483 10 30 DGEERN C[C@H](C(=O)O[C@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000156389954 658917702 /nfs/dbraw/zinc/91/77/02/658917702.db2.gz GGFJAZULYXDYCA-TVQRCGJNSA-N 0 0 308.175 3.398 10 30 DGEERN Oc1ccc(/C=N/[C@@H]2CCCc3cc(F)ccc32)c(O)c1O ZINC000156747987 658940396 /nfs/dbraw/zinc/94/03/96/658940396.db2.gz KKSCBXAETLVYHM-MRGVZLDZSA-N 0 0 301.317 3.439 10 30 DGEERN C=C(C)CNC(=S)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000045710370 659031381 /nfs/dbraw/zinc/03/13/81/659031381.db2.gz VQYJWCDCWSKWKG-UHFFFAOYSA-N 0 0 320.458 3.119 10 30 DGEERN C#CCN(CC#C)C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000075398340 659034991 /nfs/dbraw/zinc/03/49/91/659034991.db2.gz BLCYLCYGULCEGM-UHFFFAOYSA-N 0 0 314.344 3.203 10 30 DGEERN COC1(C(=O)OC[C@@H](C#N)Cc2ccccc2)CCCCC1 ZINC000187659578 659044955 /nfs/dbraw/zinc/04/49/55/659044955.db2.gz PWIKZZIXAFPZSB-MRXNPFEDSA-N 0 0 301.386 3.261 10 30 DGEERN CCOc1ccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000045884078 659056553 /nfs/dbraw/zinc/05/65/53/659056553.db2.gz LZVCAAKXGYXDMQ-CYBMUJFWSA-N 0 0 311.337 3.330 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000171225890 659267881 /nfs/dbraw/zinc/26/78/81/659267881.db2.gz DYWNZSBYLYVPJT-ULQDDVLXSA-N 0 0 313.397 3.189 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cnc3ccccn13)C2=O ZINC000172544384 659342712 /nfs/dbraw/zinc/34/27/12/659342712.db2.gz LZYLYGXJOFWKRK-XFXZXTDPSA-N 0 0 306.321 3.002 10 30 DGEERN C#C[C@@H](C)OC(=O)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000174420040 659433196 /nfs/dbraw/zinc/43/31/96/659433196.db2.gz LBVNIJSWKLJBNE-GFCCVEGCSA-N 0 0 315.394 3.316 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000089318798 659616341 /nfs/dbraw/zinc/61/63/41/659616341.db2.gz BSBNAYDPXWLPDH-QWRGUYRKSA-N 0 0 323.311 3.048 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1ccc(OC(F)(F)F)cc1 ZINC000174873633 659902135 /nfs/dbraw/zinc/90/21/35/659902135.db2.gz KQCVLPJPYAUBJY-JTQLQIEISA-N 0 0 304.264 3.472 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@H](C)C(F)(F)F)c(OC)c1 ZINC000174894036 659910885 /nfs/dbraw/zinc/91/08/85/659910885.db2.gz IJKUFNCCQQMGFO-SNVBAGLBSA-N 0 0 318.291 3.297 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](C)CC#N ZINC000068322915 659949193 /nfs/dbraw/zinc/94/91/93/659949193.db2.gz MIMLZQVLPBYCFY-MYSGNRETSA-N 0 0 323.396 3.455 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000180160139 659953449 /nfs/dbraw/zinc/95/34/49/659953449.db2.gz YQTCZQBCJIVADJ-ZBFHGGJFSA-N 0 0 301.386 3.189 10 30 DGEERN C=C(C)CN(C)C(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000180378423 659960447 /nfs/dbraw/zinc/96/04/47/659960447.db2.gz ZKHRQAQSEQISAI-NPQIQWPPSA-N 0 0 315.413 3.456 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1cc(OC)ccc1O ZINC000180884810 659973123 /nfs/dbraw/zinc/97/31/23/659973123.db2.gz NNMSGBZZRJNNMK-UHFFFAOYSA-N 0 0 301.317 3.164 10 30 DGEERN COc1cccc(C#CCOC(=O)Cc2cccc(F)c2F)c1 ZINC000181129348 659981996 /nfs/dbraw/zinc/98/19/96/659981996.db2.gz HIELUGIFFZUFMT-UHFFFAOYSA-N 0 0 316.303 3.111 10 30 DGEERN C=C[C@H](CC)OC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000181236367 659988775 /nfs/dbraw/zinc/98/87/75/659988775.db2.gz UYCWIBCMSXVLNF-VQIMIIECSA-N 0 0 315.413 3.437 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000181238783 659988941 /nfs/dbraw/zinc/98/89/41/659988941.db2.gz LYYVJNLVTJRNDU-JTQLQIEISA-N 0 0 309.318 3.124 10 30 DGEERN C=C[C@H](CC)OC(=O)c1ccccc1OCc1noc(C)n1 ZINC000181253312 659989908 /nfs/dbraw/zinc/98/99/08/659989908.db2.gz XYKOHGIRLZGJKF-GFCCVEGCSA-N 0 0 302.330 3.078 10 30 DGEERN Cc1ccc(CCC(=O)[C@H](C#N)C(=O)NC2CCCCC2)cc1 ZINC000069953023 660031246 /nfs/dbraw/zinc/03/12/46/660031246.db2.gz MUPVLGUMYLOXLC-KRWDZBQOSA-N 0 0 312.413 3.085 10 30 DGEERN COc1cccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1F ZINC000182056640 660032392 /nfs/dbraw/zinc/03/23/92/660032392.db2.gz XNXODAPTGGIWHH-LLVKDONJSA-N 0 0 314.316 3.377 10 30 DGEERN COC(=O)c1ccc(/C=C/C(=O)c2cc(O)ccc2OC)cc1 ZINC000182291063 660040716 /nfs/dbraw/zinc/04/07/16/660040716.db2.gz SVNBOKCRGIKYQR-WEVVVXLNSA-N 0 0 312.321 3.084 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000182581693 660063555 /nfs/dbraw/zinc/06/35/55/660063555.db2.gz OZLVXGSPAIJGKN-LLVKDONJSA-N 0 0 310.313 3.233 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H](C)CCn2cccn2)cc1 ZINC000183876945 660145173 /nfs/dbraw/zinc/14/51/73/660145173.db2.gz LIZQSDAAAZTDIA-AWEZNQCLSA-N 0 0 300.358 3.084 10 30 DGEERN C[C@@H](CCC(=O)OCC1(C#N)CCOCC1)c1ccccc1 ZINC000183912498 660147531 /nfs/dbraw/zinc/14/75/31/660147531.db2.gz HPPAWJPBOCWQJO-HNNXBMFYSA-N 0 0 301.386 3.434 10 30 DGEERN CC#CCCCCOC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000183959988 660149885 /nfs/dbraw/zinc/14/98/85/660149885.db2.gz GXBZMZRVPNVQCC-UHFFFAOYSA-N 0 0 301.386 3.175 10 30 DGEERN CC(C)COc1cccc(C(=O)OCC2(C#N)CCOCC2)c1 ZINC000183983040 660151278 /nfs/dbraw/zinc/15/12/78/660151278.db2.gz IVGWGGOIWCTWPX-UHFFFAOYSA-N 0 0 317.385 3.199 10 30 DGEERN C=CCOc1ccc(C(=O)OC2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000184341530 660164005 /nfs/dbraw/zinc/16/40/05/660164005.db2.gz PVKFOKBQMZJMQW-CHWSQXEVSA-N 0 0 320.385 3.373 10 30 DGEERN Cc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)n1 ZINC000184337824 660164016 /nfs/dbraw/zinc/16/40/16/660164016.db2.gz ZUCMBOCEIBPIDW-ZDUSSCGKSA-N 0 0 310.357 3.003 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OC1C[C@H](C)O[C@@H](C)C1 ZINC000184500778 660169970 /nfs/dbraw/zinc/16/99/70/660169970.db2.gz UIJXBNCVRBWZEC-STQMWFEESA-N 0 0 320.385 3.373 10 30 DGEERN C#CC[C@@H](OC(=O)c1cnn(CCC(F)(F)F)c1)C(C)(C)C ZINC000187497329 661716623 /nfs/dbraw/zinc/71/66/23/661716623.db2.gz AEQBHAVQNKYZOA-GFCCVEGCSA-N 0 0 316.323 3.430 10 30 DGEERN C=C[C@@H](C)OC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000187555980 661887464 /nfs/dbraw/zinc/88/74/64/661887464.db2.gz XKCCVRBMCDFWRP-MRVPVSSYSA-N 0 0 301.264 3.395 10 30 DGEERN C=CCC[C@@H](OC(=O)[C@@H]1CCCN(C(=O)CCC)C1)C1CC1 ZINC000159515675 661889565 /nfs/dbraw/zinc/88/95/65/661889565.db2.gz NXGXXDAXXVSYRK-HZPDHXFCSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCC[C@@H](OC(=O)CCn1c(C)c(C)sc1=O)C1CC1 ZINC000159586184 661890910 /nfs/dbraw/zinc/89/09/10/661890910.db2.gz PSZIZAASJLDFMA-CQSZACIVSA-N 0 0 309.431 3.205 10 30 DGEERN C=CCC[C@@H](OC(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 ZINC000159630582 661891718 /nfs/dbraw/zinc/89/17/18/661891718.db2.gz WFVREYIKSVYIFG-DGCLKSJQSA-N 0 0 307.415 3.154 10 30 DGEERN C=CCC[C@H](OC(=O)C1CCN(C(=O)C(C)C)CC1)C1CC1 ZINC000159671076 661892985 /nfs/dbraw/zinc/89/29/85/661892985.db2.gz AYUWWCXXHAKUKM-INIZCTEOSA-N 0 0 307.434 3.169 10 30 DGEERN C#CCN(CC#C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000159926537 661897999 /nfs/dbraw/zinc/89/79/99/661897999.db2.gz UQDFLUNDJURPIT-UHFFFAOYSA-N 0 0 302.349 3.157 10 30 DGEERN CCc1c(C(=O)O[C@@H](CC)CC#N)cnn1Cc1ccccc1 ZINC000187902160 661907377 /nfs/dbraw/zinc/90/73/77/661907377.db2.gz ZDNCBKRMPIYLPO-HNNXBMFYSA-N 0 0 311.385 3.343 10 30 DGEERN CC[C@H](CC#N)OC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000187914911 661907993 /nfs/dbraw/zinc/90/79/93/661907993.db2.gz BGLGOGJVEZIZJS-LLVKDONJSA-N 0 0 301.264 3.363 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000188036804 661912396 /nfs/dbraw/zinc/91/23/96/661912396.db2.gz BCOMSUPCBVMTQF-AWEZNQCLSA-N 0 0 311.341 3.463 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000188056041 661912972 /nfs/dbraw/zinc/91/29/72/661912972.db2.gz PNAQJBGOQBZKPK-ZBFHGGJFSA-N 0 0 318.442 3.494 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@@H](CC)c1nccs1 ZINC000188084059 661915441 /nfs/dbraw/zinc/91/54/41/661915441.db2.gz PIVFJRXHCHHIGA-LBPRGKRZSA-N 0 0 315.398 3.428 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1cn(CCOC)c2ccccc12 ZINC000188107645 661916162 /nfs/dbraw/zinc/91/61/62/661916162.db2.gz OBLQUSADAFJKGN-ZDUSSCGKSA-N 0 0 300.358 3.137 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000075391981 661928080 /nfs/dbraw/zinc/92/80/80/661928080.db2.gz GIDTXXDQVAWQQI-ZDUSSCGKSA-N 0 0 307.315 3.294 10 30 DGEERN N#CCN(Cn1nc(C(F)(F)F)sc1=S)C1CCCC1 ZINC000188683601 661939845 /nfs/dbraw/zinc/93/98/45/661939845.db2.gz VSEJNIGFRBHAAX-UHFFFAOYSA-N 0 0 322.381 3.419 10 30 DGEERN COCc1cccc(CC(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000188978936 661956854 /nfs/dbraw/zinc/95/68/54/661956854.db2.gz SOUZIKMGZNRNAY-LJQANCHMSA-N 0 0 323.392 3.301 10 30 DGEERN C=CC[C@H](OC(=O)CCNC(=O)CC(C)C)c1ccccc1 ZINC000189242283 661970164 /nfs/dbraw/zinc/97/01/64/661970164.db2.gz KEIMYZPZUCVVJB-INIZCTEOSA-N 0 0 303.402 3.399 10 30 DGEERN C#CCN(C(=O)NCCc1cc(C)c(O)c(C)c1)C1CCCC1 ZINC000190975514 662050809 /nfs/dbraw/zinc/05/08/09/662050809.db2.gz CLCLCCMIEWFSDH-UHFFFAOYSA-N 0 0 314.429 3.139 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000191153689 662055496 /nfs/dbraw/zinc/05/54/96/662055496.db2.gz NFPDTTDCONBABX-KRWDZBQOSA-N 0 0 323.364 3.170 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2ccc(C)nc2OCCC)c1 ZINC000191229458 662057119 /nfs/dbraw/zinc/05/71/19/662057119.db2.gz QDXALQFHBDHAHA-UHFFFAOYSA-N 0 0 308.381 3.437 10 30 DGEERN CCOC1CC(CC(=O)OC[C@@H](C#N)Cc2cccs2)C1 ZINC000191238633 662057581 /nfs/dbraw/zinc/05/75/81/662057581.db2.gz KXXXGYSYGXBZOU-ROKHWSDSSA-N 0 0 307.415 3.179 10 30 DGEERN C#CCCCC(=O)OCc1ccccc1OC[C@H]1CCCO1 ZINC000191296679 662059008 /nfs/dbraw/zinc/05/90/08/662059008.db2.gz UWWWDWSSLFNTEQ-MRXNPFEDSA-N 0 0 302.370 3.091 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)[C@@](C)(OC)c1ccccc1F ZINC000191426815 662065899 /nfs/dbraw/zinc/06/58/99/662065899.db2.gz XYMXMNWNWLBXAT-ROUUACIJSA-N 0 0 324.392 3.459 10 30 DGEERN C#CC[C@H](OC(=O)CCOCC(F)(F)C(F)F)C(C)(C)C ZINC000192292526 662094389 /nfs/dbraw/zinc/09/43/89/662094389.db2.gz GKYQLJXIGUPEIR-JTQLQIEISA-N 0 0 312.303 3.275 10 30 DGEERN C=CCc1cc(C(=O)O[C@H](C)[C@H]2CCOC2)cc(OC)c1OC ZINC000079174696 662101846 /nfs/dbraw/zinc/10/18/46/662101846.db2.gz SADGDHFPHRYNFA-OCCSQVGLSA-N 0 0 320.385 3.014 10 30 DGEERN C#CC[C@@H](OC(=O)CCCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000079205236 662103593 /nfs/dbraw/zinc/10/35/93/662103593.db2.gz NZVQBFRBZKJIMX-GOSISDBHSA-N 0 0 314.381 3.393 10 30 DGEERN C#CC[C@H](OC(=O)CCCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000079205231 662103691 /nfs/dbraw/zinc/10/36/91/662103691.db2.gz NZVQBFRBZKJIMX-SFHVURJKSA-N 0 0 314.381 3.393 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000079209006 662103927 /nfs/dbraw/zinc/10/39/27/662103927.db2.gz JGJNKFSCOQPJCZ-ZWKOTPCHSA-N 0 0 314.381 3.203 10 30 DGEERN C[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1C#N ZINC000192834566 662112371 /nfs/dbraw/zinc/11/23/71/662112371.db2.gz RQFFYGFPHXSEGP-CYBMUJFWSA-N 0 0 307.353 3.040 10 30 DGEERN C#CCC(C)(C)COC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000192856559 662113245 /nfs/dbraw/zinc/11/32/45/662113245.db2.gz DSVKJQZFSIYYSS-CYBMUJFWSA-N 0 0 311.422 3.273 10 30 DGEERN N#C[C@H](OC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000080393756 662139564 /nfs/dbraw/zinc/13/95/64/662139564.db2.gz WOFLJNROLXUKFC-AWEZNQCLSA-N 0 0 309.325 3.073 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)CCc1ccc(Br)cc1 ZINC000080389086 662139710 /nfs/dbraw/zinc/13/97/10/662139710.db2.gz XPQKPQLTTNJWAD-ZDUSSCGKSA-N 0 0 310.191 3.473 10 30 DGEERN CCOCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000193770961 662147673 /nfs/dbraw/zinc/14/76/73/662147673.db2.gz UUQGOIOEWJYQQN-LLVKDONJSA-N 0 0 321.327 3.424 10 30 DGEERN COCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000193770942 662147694 /nfs/dbraw/zinc/14/76/94/662147694.db2.gz PNADZDZAIBPLLN-JTQLQIEISA-N 0 0 307.300 3.034 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Cl)n1 ZINC000080796182 662153094 /nfs/dbraw/zinc/15/30/94/662153094.db2.gz NJDSRTUFUNHDJY-JTQLQIEISA-N 0 0 301.733 3.013 10 30 DGEERN C=C(C)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000194168677 662159173 /nfs/dbraw/zinc/15/91/73/662159173.db2.gz RTDWYODHCFMDQB-MRXNPFEDSA-N 0 0 303.402 3.259 10 30 DGEERN C=C(C)COC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000194491843 662166815 /nfs/dbraw/zinc/16/68/15/662166815.db2.gz FDLGOZSMFQINSZ-UHFFFAOYSA-N 0 0 305.374 3.444 10 30 DGEERN C#CC[C@H](OC(=O)CCSc1ccccn1)c1ccccn1 ZINC000088809767 662235540 /nfs/dbraw/zinc/23/55/40/662235540.db2.gz DNKHNIDQESDUTH-HNNXBMFYSA-N 0 0 312.394 3.267 10 30 DGEERN CC1(C)[C@H](OC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]2CCO[C@H]21 ZINC000245557493 662236079 /nfs/dbraw/zinc/23/60/79/662236079.db2.gz FTHZMHXVXGXUCE-BZUAXINKSA-N 0 0 311.381 3.212 10 30 DGEERN N#C[C@@H](COC(=O)Cc1cccc(F)c1)Cc1cccs1 ZINC000089289505 662240927 /nfs/dbraw/zinc/24/09/27/662240927.db2.gz HOGWLZFOXRIPKR-ZDUSSCGKSA-N 0 0 303.358 3.355 10 30 DGEERN C[C@@H](Oc1ccccc1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089296541 662240992 /nfs/dbraw/zinc/24/09/92/662240992.db2.gz JAGHPQBXPQRLJV-KGLIPLIRSA-N 0 0 315.394 3.441 10 30 DGEERN C[C@H](Oc1ccccc1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089296538 662241049 /nfs/dbraw/zinc/24/10/49/662241049.db2.gz JAGHPQBXPQRLJV-KBPBESRZSA-N 0 0 315.394 3.441 10 30 DGEERN N#C[C@@H](COC(=O)[C@@H]1CC1(Cl)Cl)Cc1cccs1 ZINC000089302949 662241423 /nfs/dbraw/zinc/24/14/23/662241423.db2.gz NADVYRPTOCPGPK-WPRPVWTQSA-N 0 0 304.198 3.167 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000089319939 662241813 /nfs/dbraw/zinc/24/18/13/662241813.db2.gz GPMDVPCIPCGAMK-QMMMGPOBSA-N 0 0 324.370 3.256 10 30 DGEERN N#Cc1nnc2ccccc2c1NCc1cnc(Cl)s1 ZINC000718169551 662245073 /nfs/dbraw/zinc/24/50/73/662245073.db2.gz YDFDUTOFGQSUIX-UHFFFAOYSA-N 0 0 301.762 3.223 10 30 DGEERN CCc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1F ZINC000089778471 662247679 /nfs/dbraw/zinc/24/76/79/662247679.db2.gz RKXFFKWHDOLMDF-UHFFFAOYSA-N 0 0 312.344 3.472 10 30 DGEERN N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246141319 662248452 /nfs/dbraw/zinc/24/84/52/662248452.db2.gz NWADXOXGFNJTEM-TUAOUCFPSA-N 0 0 320.751 3.173 10 30 DGEERN C#CCN(C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)C1CCCC1 ZINC000246218100 662250890 /nfs/dbraw/zinc/25/08/90/662250890.db2.gz AZRFJQCHSQANNF-IPMKNSEASA-N 0 0 308.425 3.302 10 30 DGEERN COc1cccc(C#CCOC(=O)c2scnc2C2CC2)c1 ZINC000089972803 662251315 /nfs/dbraw/zinc/25/13/15/662251315.db2.gz GKBHZXWQNJLSTP-UHFFFAOYSA-N 0 0 313.378 3.238 10 30 DGEERN N#Cc1ccc(NCC2CCC(O)CC2)cc1Br ZINC000227714718 1176522066 /nfs/dbraw/zinc/52/20/66/1176522066.db2.gz AMSBZSDHQAHTEU-UHFFFAOYSA-N 0 0 309.207 3.284 10 30 DGEERN C=CCSCCNC(=O)c1cc(C)c(Br)s1 ZINC000081726855 1176774975 /nfs/dbraw/zinc/77/49/75/1176774975.db2.gz XZAVCASIMKKMTM-UHFFFAOYSA-N 0 0 320.277 3.468 10 30 DGEERN C=CCN(CCOC)C(=O)c1cc(C)c(Br)s1 ZINC000234667727 1176822009 /nfs/dbraw/zinc/82/20/09/1176822009.db2.gz RQWOIOIKILLHPZ-UHFFFAOYSA-N 0 0 318.236 3.094 10 30 DGEERN CO[C@H]1CN(c2cc(Br)ccc2C#N)CC[C@H]1C ZINC000300005126 1178039552 /nfs/dbraw/zinc/03/95/52/1178039552.db2.gz KYCWZYSZHBYAIZ-YGRLFVJLSA-N 0 0 309.207 3.182 10 30 DGEERN Cc1cncc(CCNc2ccc(C#N)c(Br)c2)n1 ZINC000402742033 1199459382 /nfs/dbraw/zinc/45/93/82/1199459382.db2.gz SPVLDBXQUBMIIP-UHFFFAOYSA-N 0 0 317.190 3.074 10 30 DGEERN CC[C@H]1CN(c2cc(Br)ccc2C#N)[C@@H](C)CO1 ZINC000403907881 1199528285 /nfs/dbraw/zinc/52/82/85/1199528285.db2.gz XQQACVKZQFLZEY-GWCFXTLKSA-N 0 0 309.207 3.324 10 30 DGEERN N#Cc1cccc2c1CN(Cc1cccc(Br)n1)C2 ZINC000405058069 1199591046 /nfs/dbraw/zinc/59/10/46/1199591046.db2.gz AFBIEONXPZSAFV-UHFFFAOYSA-N 0 0 314.186 3.232 10 30 DGEERN C=C(CC)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000313498748 1199766922 /nfs/dbraw/zinc/76/69/22/1199766922.db2.gz GHMVCIUDWJFEPV-UHFFFAOYSA-N 0 0 311.300 3.497 10 30 DGEERN C=CCCCCCCNC(=O)c1cnc(C(=O)OCC)s1 ZINC000314962400 1199797594 /nfs/dbraw/zinc/79/75/94/1199797594.db2.gz PSIBDNZCJJQQHT-UHFFFAOYSA-N 0 0 310.419 3.186 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1sccc1-c1ccccc1 ZINC000320511364 1199848254 /nfs/dbraw/zinc/84/82/54/1199848254.db2.gz NBHUJONHEYOOSR-AWEZNQCLSA-N 0 0 301.411 3.472 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](C)COc2ccc(F)cc2)c1 ZINC000128273801 1200768227 /nfs/dbraw/zinc/76/82/27/1200768227.db2.gz XULXMMNUGFMSJL-ZDUSSCGKSA-N 0 0 312.344 3.396 10 30 DGEERN CC[C@H]1COCCN1c1ccc(C#N)c(Br)c1F ZINC000231844293 1202600319 /nfs/dbraw/zinc/60/03/19/1202600319.db2.gz DQCYEBZXRDWBIN-JTQLQIEISA-N 0 0 313.170 3.075 10 30 DGEERN N#Cc1ccc(NCc2cccnc2)c(F)c1Br ZINC000231843849 1202600236 /nfs/dbraw/zinc/60/02/36/1202600236.db2.gz KHTXQOAOLWVBJV-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCCC[C@H]2O)c(F)c1Br ZINC000231863792 1202600387 /nfs/dbraw/zinc/60/03/87/1202600387.db2.gz MVLWGURXMZWXSM-MWLCHTKSSA-N 0 0 313.170 3.175 10 30 DGEERN C=CCOc1cccc(CNc2cccc(-c3nnnn3C)c2)c1 ZINC000158484522 1202603786 /nfs/dbraw/zinc/60/37/86/1202603786.db2.gz UQOLEFPZRJBNCC-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN C[C@@H](Nc1cc(Br)ccc1C#N)c1nccn1C ZINC000235220152 1202604310 /nfs/dbraw/zinc/60/43/10/1202604310.db2.gz QGYCUOUFRUJXIE-SECBINFHSA-N 0 0 305.179 3.227 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)c1cccc(SCC#N)c1 ZINC000175528868 1203920215 /nfs/dbraw/zinc/92/02/15/1203920215.db2.gz XKBKUGBLNMYMBW-UHFFFAOYSA-N 0 0 324.361 3.402 10 30 DGEERN CCc1nnc(NCCCCCCC(=O)OC)c(C#N)c1CC ZINC000176912256 1203943382 /nfs/dbraw/zinc/94/33/82/1203943382.db2.gz UJLYTJNWLLRKKL-UHFFFAOYSA-N 0 0 318.421 3.008 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 ZINC000179880300 1204324539 /nfs/dbraw/zinc/32/45/39/1204324539.db2.gz HFPZGSXZKFKWGF-KOZAUXTDSA-N 0 0 312.369 3.130 10 30 DGEERN COc1cc(Br)ccc1/C=C\C(=O)c1cnccn1 ZINC000588419234 1082208463 /nfs/dbraw/zinc/20/84/63/1082208463.db2.gz KSKUZZYZRZOMLJ-HYXAFXHYSA-N 0 0 319.158 3.144 10 30 DGEERN CC(C)(O)[C@@H]1CCCN1c1cc(Br)ccc1C#N ZINC000707414651 1082261974 /nfs/dbraw/zinc/26/19/74/1082261974.db2.gz QBSFDVNSAZJURX-ZDUSSCGKSA-N 0 0 309.207 3.060 10 30 DGEERN C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2C)SC1=S ZINC000588449892 1082323166 /nfs/dbraw/zinc/32/31/66/1082323166.db2.gz GROBOLRZHXNSJY-XYOKQWHBSA-N 0 0 320.395 3.290 10 30 DGEERN COc1ccc(O)c(/C=N\Cc2ncc(-c3ccccc3)cn2)c1 ZINC000588460209 1082349740 /nfs/dbraw/zinc/34/97/40/1082349740.db2.gz KGAQVLBOMXHYBJ-JMIUGGIZSA-N 0 0 319.364 3.477 10 30 DGEERN Cc1ccc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)c(C)n1 ZINC000588510211 1082517699 /nfs/dbraw/zinc/51/76/99/1082517699.db2.gz OOULDIBDNZORNX-PXNMLYILSA-N 0 0 318.442 3.230 10 30 DGEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3cncc(F)c3)ccc21 ZINC000588598467 1082837882 /nfs/dbraw/zinc/83/78/82/1082837882.db2.gz NBKNWBAEBVBFCT-HYXAFXHYSA-N 0 0 314.341 3.030 10 30 DGEERN CC(C)(C)OC(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC000588432540 1083165576 /nfs/dbraw/zinc/16/55/76/1083165576.db2.gz AMYNKBXCJUXSHU-PLNGDYQASA-N 0 0 305.353 3.190 10 30 DGEERN COc1ccc(F)cc1CNC(=O)/C=C\c1ccccc1C#N ZINC000588524541 1087458759 /nfs/dbraw/zinc/45/87/59/1087458759.db2.gz DSDQVNJSINQFSZ-TWGQIWQCSA-N 0 0 310.328 3.036 10 30 DGEERN C=C(C)CONC(=O)c1ccc(Cl)cc1Br ZINC000400947011 1093928759 /nfs/dbraw/zinc/92/87/59/1093928759.db2.gz SFPBEZUXZASXEE-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN C#C[C@](C)(CC)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000700595930 1108837415 /nfs/dbraw/zinc/83/74/15/1108837415.db2.gz VNIKGXLPHNYZJA-CQSZACIVSA-N 0 0 300.185 3.290 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000077575992 334927170 /nfs/dbraw/zinc/92/71/70/334927170.db2.gz NMEOWHIPMYOQJM-UHFFFAOYSA-N 0 0 303.381 3.457 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000278371654 214122827 /nfs/dbraw/zinc/12/28/27/214122827.db2.gz MJJAHBGFAUKZHX-ZDUSSCGKSA-N 0 0 321.342 3.415 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000278571366 214245048 /nfs/dbraw/zinc/24/50/48/214245048.db2.gz QYSFFACIPBVTQB-ZIAGYGMSSA-N 0 0 313.319 3.303 10 30 DGEERN CC[C@@H](CC#N)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000183826082 529445548 /nfs/dbraw/zinc/44/55/48/529445548.db2.gz QCMNQOIELHVPLS-KRWDZBQOSA-N 0 0 312.413 3.337 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000183968638 529447851 /nfs/dbraw/zinc/44/78/51/529447851.db2.gz BHZFTIITGCKXRH-AWEZNQCLSA-N 0 0 310.357 3.036 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 ZINC000063320266 432004938 /nfs/dbraw/zinc/00/49/38/432004938.db2.gz RZHVBPULSGAERW-UHFFFAOYSA-N 0 0 303.362 3.235 10 30 DGEERN N#CC1(NC(=O)c2ccc(Oc3cccnc3)cc2)CCCC1 ZINC000063292114 432004954 /nfs/dbraw/zinc/00/49/54/432004954.db2.gz ANRYIPPRUZGGOE-UHFFFAOYSA-N 0 0 307.353 3.440 10 30 DGEERN CC[C@@H](CSC)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182376745 529527466 /nfs/dbraw/zinc/52/74/66/529527466.db2.gz YVJGOGFDJCUMGE-HNNXBMFYSA-N 0 0 302.443 3.455 10 30 DGEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1O ZINC000186411984 529679993 /nfs/dbraw/zinc/67/99/93/529679993.db2.gz WLDCUISNBKMJFU-INIZCTEOSA-N 0 0 319.368 3.408 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC(C)C ZINC000063400043 432005939 /nfs/dbraw/zinc/00/59/39/432005939.db2.gz BDBRSUFTZCMYHX-UHFFFAOYSA-N 0 0 305.378 3.339 10 30 DGEERN N#Cc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)nc1 ZINC000103926621 432013351 /nfs/dbraw/zinc/01/33/51/432013351.db2.gz QSBYUBRBLCCDCK-UHFFFAOYSA-N 0 0 321.258 3.033 10 30 DGEERN N#Cc1nc(Oc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000232460450 201896277 /nfs/dbraw/zinc/89/62/77/201896277.db2.gz QAVRTADBWXHKPP-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C[C@@H](C#N)CN(C)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373918463 229559388 /nfs/dbraw/zinc/55/93/88/229559388.db2.gz DBWOSUDUTRJRMA-WHOFXGATSA-N 0 0 305.809 3.387 10 30 DGEERN CCCCCCCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105814605 432019172 /nfs/dbraw/zinc/01/91/72/432019172.db2.gz SUWXDPLRQXDHOZ-UHFFFAOYSA-N 0 0 304.438 3.240 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)CSC ZINC000066767957 432021394 /nfs/dbraw/zinc/02/13/94/432021394.db2.gz SCSSFZRKBYSVNY-LBPRGKRZSA-N 0 0 308.403 3.109 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000279887244 215207736 /nfs/dbraw/zinc/20/77/36/215207736.db2.gz HKGWNTKDOJNSLN-INIZCTEOSA-N 0 0 309.413 3.435 10 30 DGEERN C#CCC(CC#C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000277316001 213439642 /nfs/dbraw/zinc/43/96/42/213439642.db2.gz DDESNYJNTNYQGV-UHFFFAOYSA-N 0 0 305.830 3.211 10 30 DGEERN O=C1OC[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 ZINC000142442210 186033095 /nfs/dbraw/zinc/03/30/95/186033095.db2.gz LXTWHOIAODISEK-VKHMYHEASA-N 0 0 320.107 3.380 10 30 DGEERN N#Cc1cc(Br)ccc1NC[C@H]1CCCC[C@H]1O ZINC000130453949 432025426 /nfs/dbraw/zinc/02/54/26/432025426.db2.gz DLMLYKVLUGXZGE-QMTHXVAHSA-N 0 0 309.207 3.284 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N(C)Cc1ccc(C)o1 ZINC000194239535 186272223 /nfs/dbraw/zinc/27/22/23/186272223.db2.gz GSJQHROVMOLDIU-UHFFFAOYSA-N 0 0 314.385 3.494 10 30 DGEERN CCc1cc(C#N)c(NC(=O)[C@@H](C)n2nc(C)cc2C)s1 ZINC000194265922 186274290 /nfs/dbraw/zinc/27/42/90/186274290.db2.gz VPCOXKLPMHRQBP-LLVKDONJSA-N 0 0 302.403 3.195 10 30 DGEERN C=CCOCCCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000173023937 198178423 /nfs/dbraw/zinc/17/84/23/198178423.db2.gz HKYOAIXBACVGLK-QGZVFWFLSA-N 0 0 317.429 3.348 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)no1 ZINC000173465344 198217572 /nfs/dbraw/zinc/21/75/72/198217572.db2.gz RXMBYUKPLCSQRP-CQSZACIVSA-N 0 0 310.357 3.042 10 30 DGEERN C=C(Br)CNC1(c2noc(C(C)C)n2)CCCC1 ZINC000174242562 198310145 /nfs/dbraw/zinc/31/01/45/198310145.db2.gz FFQUMDZSQOUOBL-UHFFFAOYSA-N 0 0 314.227 3.461 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H](C)CO2)c1 ZINC000182201001 199402288 /nfs/dbraw/zinc/40/22/88/199402288.db2.gz JPYKCOIQNCEKAQ-KBXCAEBGSA-N 0 0 323.396 3.105 10 30 DGEERN CC(C)(C)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000003526627 181030681 /nfs/dbraw/zinc/03/06/81/181030681.db2.gz YCHTWDSIAIWTMJ-QGOAFFKASA-N 0 0 316.426 3.297 10 30 DGEERN Cc1cc(C)c(C#N)c(N2Cc3cnc(CC(C)C)nc3C2)n1 ZINC000067774088 432038937 /nfs/dbraw/zinc/03/89/37/432038937.db2.gz QWUSAZWBRMOZSJ-UHFFFAOYSA-N 0 0 307.401 3.079 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182811201 199495086 /nfs/dbraw/zinc/49/50/86/199495086.db2.gz FQJKFLWKBHWCST-GXFFZTMASA-N 0 0 316.323 3.003 10 30 DGEERN Cc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1Cl ZINC000179121917 432044052 /nfs/dbraw/zinc/04/40/52/432044052.db2.gz JWZJXVOYTXEPMN-UHFFFAOYSA-N 0 0 314.772 3.329 10 30 DGEERN C/C(=N\NC(=S)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000005119864 181205636 /nfs/dbraw/zinc/20/56/36/181205636.db2.gz UHJFFXWFQMNPKX-GZTJUZNOSA-N 0 0 320.418 3.116 10 30 DGEERN Cc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000005417684 181241165 /nfs/dbraw/zinc/24/11/65/181241165.db2.gz CZCMQYOEWHQLFI-NTUHNPAUSA-N 0 0 306.303 3.319 10 30 DGEERN C=C1C[C@]23CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2C[C@H]1[C@H](O)C3=O ZINC000005757359 181280868 /nfs/dbraw/zinc/28/08/68/181280868.db2.gz UQKJSKXVMBIKGF-UMJWFTAKSA-N 0 0 316.441 3.304 10 30 DGEERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(C#N)c3)CCO2)o1 ZINC000165803218 432057046 /nfs/dbraw/zinc/05/70/46/432057046.db2.gz KHENHPBEXXJRTF-INIZCTEOSA-N 0 0 311.341 3.065 10 30 DGEERN C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000165701768 432057235 /nfs/dbraw/zinc/05/72/35/432057235.db2.gz ISOJACZTAWJAHD-LRDDRELGSA-N 0 0 307.353 3.244 10 30 DGEERN Cc1cc(NC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)no1 ZINC000179458419 432059369 /nfs/dbraw/zinc/05/93/69/432059369.db2.gz YVHKJSARVHEBKI-LBPRGKRZSA-N 0 0 324.365 3.352 10 30 DGEERN CCc1noc(C)c1NC(=O)CSc1ccc(C#N)cc1 ZINC000133250175 432059495 /nfs/dbraw/zinc/05/94/95/432059495.db2.gz CDHWWBDFNOGHPB-UHFFFAOYSA-N 0 0 301.371 3.148 10 30 DGEERN Cc1ccnc(-n2nccc2NC(=O)c2ccc(C#N)cc2C)c1 ZINC000133398507 432063446 /nfs/dbraw/zinc/06/34/46/432063446.db2.gz IQSNRRMJXUOSHA-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN CC(C)=CCC[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451738846 535368627 /nfs/dbraw/zinc/36/86/27/535368627.db2.gz JABJZHABSWKIRY-ZDUSSCGKSA-N 0 0 324.421 3.252 10 30 DGEERN Cc1nc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)s1 ZINC000179267965 199007354 /nfs/dbraw/zinc/00/73/54/199007354.db2.gz YPMLWCYMMWWGOA-UHFFFAOYSA-N 0 0 302.403 3.440 10 30 DGEERN CC[C@H](C)NC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000179515000 199048535 /nfs/dbraw/zinc/04/85/35/199048535.db2.gz CVNOMENYYYPRQI-RYUDHWBXSA-N 0 0 306.431 3.103 10 30 DGEERN COc1ccccc1N1CCC(Nc2nc(C)ccc2C#N)CC1 ZINC000179768634 199078243 /nfs/dbraw/zinc/07/82/43/199078243.db2.gz HEWUKXAYFPIMAB-UHFFFAOYSA-N 0 0 322.412 3.351 10 30 DGEERN CC(C)CC(=O)N1CCC(COc2cccc(C#N)c2)CC1 ZINC000184959586 199787421 /nfs/dbraw/zinc/78/74/21/199787421.db2.gz UFKNTSXQBCUUHZ-UHFFFAOYSA-N 0 0 300.402 3.222 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)CCC1 ZINC000276657687 213027723 /nfs/dbraw/zinc/02/77/23/213027723.db2.gz PFYCSMFQZQTZGM-INIZCTEOSA-N 0 0 315.413 3.196 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)s1 ZINC000180810353 199211909 /nfs/dbraw/zinc/21/19/09/199211909.db2.gz DEZSCQJOMKPBAI-MEDUHNTESA-N 0 0 320.364 3.206 10 30 DGEERN CCOC(=O)CN(Cc1ccc(C#N)o1)[C@H](C)c1ccccc1 ZINC000180941779 199231299 /nfs/dbraw/zinc/23/12/99/199231299.db2.gz ZJBDSLZXWMDZNS-CQSZACIVSA-N 0 0 312.369 3.278 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H](C)CCC(=O)OCC)c1ccccc1 ZINC000089805160 192875435 /nfs/dbraw/zinc/87/54/35/192875435.db2.gz XXAGZTCKKYWNKN-CABCVRRESA-N 0 0 303.402 3.194 10 30 DGEERN Cn1nccc1CNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000180392547 432085242 /nfs/dbraw/zinc/08/52/42/432085242.db2.gz JHAVSDWOLZXZRA-UHFFFAOYSA-N 0 0 315.739 3.245 10 30 DGEERN N#Cc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000170891382 432086424 /nfs/dbraw/zinc/08/64/24/432086424.db2.gz ILEMZXBGUJFGRT-CYBMUJFWSA-N 0 0 312.398 3.426 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@H](c3cccc(OC)c3)C2)CCC1 ZINC000189510192 200414707 /nfs/dbraw/zinc/41/47/07/200414707.db2.gz JBMORWDTSHKNIP-KRWDZBQOSA-N 0 0 315.413 3.342 10 30 DGEERN Cc1ccc(C2N=NC(=S)N2N=Cc2cccs2)cc1 ZINC000006032913 181306952 /nfs/dbraw/zinc/30/69/52/181306952.db2.gz MQDTWYIQCZOWAR-DHDCSXOGSA-N 0 0 300.412 3.486 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 ZINC000436021268 238386238 /nfs/dbraw/zinc/38/62/38/238386238.db2.gz UIAUKDUAGDDADN-UHFFFAOYSA-N 0 0 322.368 3.312 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)ccn1 ZINC000193310047 201027062 /nfs/dbraw/zinc/02/70/62/201027062.db2.gz BOLPSTIILUJBOX-MAUKXSAKSA-N 0 0 305.381 3.094 10 30 DGEERN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193379807 201041239 /nfs/dbraw/zinc/04/12/39/201041239.db2.gz IBUHSDPYGVMCGG-SJCJKPOMSA-N 0 0 309.344 3.316 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccnc(C#N)c1 ZINC000193612962 201085862 /nfs/dbraw/zinc/08/58/62/201085862.db2.gz OWNGIMGWHWETGL-QWQRMKEZSA-N 0 0 305.381 3.360 10 30 DGEERN CC(C)Oc1cccc(CN(C)C(=O)c2ccnc(C#N)c2)c1 ZINC000193683495 201102414 /nfs/dbraw/zinc/10/24/14/201102414.db2.gz SUWKNGGVGXXTPT-UHFFFAOYSA-N 0 0 309.369 3.013 10 30 DGEERN COc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1C#N ZINC000194506413 201240598 /nfs/dbraw/zinc/24/05/98/201240598.db2.gz CWYAIQBDUFVDTL-KBPBESRZSA-N 0 0 324.380 3.212 10 30 DGEERN CCCCOc1ccc(CN=NC(=S)NCC)cc1OCC ZINC000006429644 181340677 /nfs/dbraw/zinc/34/06/77/181340677.db2.gz MFOJIUAZMIHVGQ-LDADJPATSA-N 0 0 323.462 3.493 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCNC(=O)C1 ZINC000189872358 432098695 /nfs/dbraw/zinc/09/86/95/432098695.db2.gz AHLXJYBGLFYMMU-AWEZNQCLSA-N 0 0 300.402 3.003 10 30 DGEERN CCOc1ccc([C@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000195110328 201341855 /nfs/dbraw/zinc/34/18/55/201341855.db2.gz MXMKLJKRXYWRGJ-GOSISDBHSA-N 0 0 321.380 3.329 10 30 DGEERN CC(C)(C)c1ccc(OCCNC(=O)c2ccnc(C#N)c2)cc1 ZINC000195045239 201331863 /nfs/dbraw/zinc/33/18/63/201331863.db2.gz DSWPWWBUBCZJNG-UHFFFAOYSA-N 0 0 323.396 3.060 10 30 DGEERN O[C@@H](CN(CCC(F)(F)F)CC(F)(F)F)CC(F)(F)F ZINC000447843893 239706854 /nfs/dbraw/zinc/70/68/54/239706854.db2.gz OITUXPSNHPROHW-ZCFIWIBFSA-N 0 0 321.183 3.116 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 ZINC000091050675 192976389 /nfs/dbraw/zinc/97/63/89/192976389.db2.gz QJCIIZJJYMOJFO-SFHVURJKSA-N 0 0 306.365 3.020 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000449920374 240480019 /nfs/dbraw/zinc/48/00/19/240480019.db2.gz BBIAILBAIYFHSG-UHFFFAOYSA-N 0 0 311.389 3.310 10 30 DGEERN C=CCC[C@H](NC(=O)c1cn(CC2CC2)nn1)c1ccccc1 ZINC000450181217 240594738 /nfs/dbraw/zinc/59/47/38/240594738.db2.gz PRRQTSLYTVSMKU-INIZCTEOSA-N 0 0 310.401 3.125 10 30 DGEERN CC1(C)CCCC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451314213 241079040 /nfs/dbraw/zinc/07/90/40/241079040.db2.gz HHHJKFVSBZFHRF-HNNXBMFYSA-N 0 0 324.421 3.086 10 30 DGEERN C[C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451444619 241126202 /nfs/dbraw/zinc/12/62/02/241126202.db2.gz FBZDZSFQQDOQBL-LRDDRELGSA-N 0 0 324.421 3.086 10 30 DGEERN C=CCC1(C(=O)NCCc2cccnc2OC)CCCCC1 ZINC000451861959 241260299 /nfs/dbraw/zinc/26/02/99/241260299.db2.gz ODEKEAJPHQXVTL-UHFFFAOYSA-N 0 0 302.418 3.276 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000452142159 241328609 /nfs/dbraw/zinc/32/86/09/241328609.db2.gz LMBXVHUHIGDGAM-CPUCHLNUSA-N 0 0 307.397 3.303 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000080943633 283906150 /nfs/dbraw/zinc/90/61/50/283906150.db2.gz XEIVZKIYYMOFKE-INIZCTEOSA-N 0 0 313.788 3.431 10 30 DGEERN CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000080977735 283906987 /nfs/dbraw/zinc/90/69/87/283906987.db2.gz FEESQVCBHHMNFX-CQSZACIVSA-N 0 0 301.777 3.431 10 30 DGEERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(C#N)cn1C ZINC000081001587 283907713 /nfs/dbraw/zinc/90/77/13/283907713.db2.gz SWPKJEVBPRRBNA-LLVKDONJSA-N 0 0 301.777 3.383 10 30 DGEERN C=CCOCCCC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452319897 241384072 /nfs/dbraw/zinc/38/40/72/241384072.db2.gz RKVGKEMMXKZHAR-UHFFFAOYSA-N 0 0 311.784 3.347 10 30 DGEERN CCN(C(=O)c1cc(C#N)cn1C)C12CC3CC(CC(C3)C1)C2 ZINC000080939393 283905849 /nfs/dbraw/zinc/90/58/49/283905849.db2.gz IPLCRFBWGFNKSL-UHFFFAOYSA-N 0 0 311.429 3.328 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000452357874 241394910 /nfs/dbraw/zinc/39/49/10/241394910.db2.gz SDHKXCQHDJFFGS-CYBMUJFWSA-N 0 0 313.401 3.221 10 30 DGEERN Cc1csc([C@H](C)NC(=O)NCc2ccc(C#N)c(F)c2)n1 ZINC000454431311 241949805 /nfs/dbraw/zinc/94/98/05/241949805.db2.gz JHPQSTICQYBIJK-JTQLQIEISA-N 0 0 318.377 3.023 10 30 DGEERN C=CCCCNC(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000454898207 242059407 /nfs/dbraw/zinc/05/94/07/242059407.db2.gz QUKBPZAYVRTKRT-ZDUSSCGKSA-N 0 0 308.344 3.094 10 30 DGEERN C=CCC[C@H](CO)NC(=O)Nc1cc(F)ccc1OC(C)C ZINC000454680087 242008700 /nfs/dbraw/zinc/00/87/00/242008700.db2.gz WFABRJPIOXRBKL-CYBMUJFWSA-N 0 0 310.369 3.062 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@@H]1COCC1(C)C)c1ccccc1 ZINC000454706541 242015464 /nfs/dbraw/zinc/01/54/64/242015464.db2.gz ZDAAXHMTBXQAIK-JKSUJKDBSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246243322 432112417 /nfs/dbraw/zinc/11/24/17/432112417.db2.gz OHOFZSWVADRIST-LTIDMASMSA-N 0 0 313.507 3.124 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CCC[C@@](C)(F)C2)cc1 ZINC000455055051 242097183 /nfs/dbraw/zinc/09/71/83/242097183.db2.gz WCFCCBOTMZPXJK-QGZVFWFLSA-N 0 0 306.381 3.285 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@]1(O)CCC[C@H]1C ZINC000455380404 242184037 /nfs/dbraw/zinc/18/40/37/242184037.db2.gz IQLJHXGLZYEYJP-RDTXWAMCSA-N 0 0 302.418 3.478 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000455423120 242196034 /nfs/dbraw/zinc/19/60/34/242196034.db2.gz LJEJASBQGGXRPO-AOIWGVFYSA-N 0 0 314.429 3.093 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000455517304 242222819 /nfs/dbraw/zinc/22/28/19/242222819.db2.gz FHGLWCAMWCBISO-GOSISDBHSA-N 0 0 300.402 3.184 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000456751964 242543915 /nfs/dbraw/zinc/54/39/15/242543915.db2.gz ANGGBRBHEBCQLE-CQSZACIVSA-N 0 0 316.426 3.175 10 30 DGEERN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000192132177 284062424 /nfs/dbraw/zinc/06/24/24/284062424.db2.gz RZOUNIUOSUDFHT-MRXNPFEDSA-N 0 0 324.355 3.364 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000190048088 432118137 /nfs/dbraw/zinc/11/81/37/432118137.db2.gz YMUYMBRIHCMDOH-CJNGLKHVSA-N 0 0 304.390 3.140 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H](C)C[C@H]1C ZINC000460951684 243575652 /nfs/dbraw/zinc/57/56/52/243575652.db2.gz XMSCJCHAUZGDMZ-LSDHHAIUSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCCC[C@H](C)N1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000461208667 243589806 /nfs/dbraw/zinc/58/98/06/243589806.db2.gz URKGBTCLHYESDA-YVEFUNNKSA-N 0 0 304.365 3.338 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)Cc1cccc(OC)c1 ZINC000171280646 432119882 /nfs/dbraw/zinc/11/98/82/432119882.db2.gz DRKNJZDEQAFZNW-UHFFFAOYSA-N 0 0 317.410 3.218 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000477489406 244578085 /nfs/dbraw/zinc/57/80/85/244578085.db2.gz OUSAHUZXULDDCU-IRXDYDNUSA-N 0 0 323.458 3.181 10 30 DGEERN N#Cc1ccc(CN2CCc3cccc(Br)c3C2)o1 ZINC000093480312 193256969 /nfs/dbraw/zinc/25/69/69/193256969.db2.gz IAWVBWHVYPBTKZ-UHFFFAOYSA-N 0 0 317.186 3.472 10 30 DGEERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093889194 193324314 /nfs/dbraw/zinc/32/43/14/193324314.db2.gz GLVPSEMQBMBZAE-GTJPDFRWSA-N 0 0 302.399 3.082 10 30 DGEERN C=C(Br)CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246341183 432122211 /nfs/dbraw/zinc/12/22/11/432122211.db2.gz FEUCTABPSRTNBO-JQWIXIFHSA-N 0 0 302.237 3.419 10 30 DGEERN N#Cc1cc(CNc2cc(Cl)ccc2C(N)=O)ccc1F ZINC000123960814 284250125 /nfs/dbraw/zinc/25/01/25/284250125.db2.gz UDGVPOSPDMTCNW-UHFFFAOYSA-N 0 0 303.724 3.062 10 30 DGEERN C=CCCCS(=O)(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000489121987 245273758 /nfs/dbraw/zinc/27/37/58/245273758.db2.gz ZXQVDVLEGAEKIH-QGZVFWFLSA-N 0 0 316.426 3.057 10 30 DGEERN Cn1cc(C2CCN(c3ccc(Cl)cc3C#N)CC2)cn1 ZINC000264655516 204056236 /nfs/dbraw/zinc/05/62/36/204056236.db2.gz KCWLIENPQJARNW-UHFFFAOYSA-N 0 0 300.793 3.329 10 30 DGEERN C=C1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000264892153 204245478 /nfs/dbraw/zinc/24/54/78/204245478.db2.gz FNICCAYMFSBKCI-UHFFFAOYSA-N 0 0 300.333 3.202 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000126760054 284315821 /nfs/dbraw/zinc/31/58/21/284315821.db2.gz IAOYPOBHMLIPDY-ZDUSSCGKSA-N 0 0 324.355 3.397 10 30 DGEERN CC(C)C(=O)N1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000266052705 205058227 /nfs/dbraw/zinc/05/82/27/205058227.db2.gz DHDNDXYWXBVTCD-UHFFFAOYSA-N 0 0 322.412 3.165 10 30 DGEERN Cc1ccc(OC[C@@H](O)COc2ccc(C#N)c(Cl)c2)cc1 ZINC000190166749 432128057 /nfs/dbraw/zinc/12/80/57/432128057.db2.gz ZYCMTJAIOJZVGI-CQSZACIVSA-N 0 0 317.772 3.339 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000127989918 284359773 /nfs/dbraw/zinc/35/97/73/284359773.db2.gz XMCZVLHVBZDAEC-UHFFFAOYSA-N 0 0 312.379 3.391 10 30 DGEERN COc1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1 ZINC000015923814 182024686 /nfs/dbraw/zinc/02/46/86/182024686.db2.gz DKGGXSRZRBVNOU-DHDCSXOGSA-N 0 0 316.411 3.186 10 30 DGEERN C=CCNC(=O)[C@@H](C)Sc1ncnc2sc(CC)cc21 ZINC000016712704 182058534 /nfs/dbraw/zinc/05/85/34/182058534.db2.gz NQQVHNISQLIMNU-SECBINFHSA-N 0 0 307.444 3.037 10 30 DGEERN CN1C(=O)/C(=C/c2cccnc2)S/C1=N\c1cccc(O)c1 ZINC000016904581 182063909 /nfs/dbraw/zinc/06/39/09/182063909.db2.gz OLILNGDSVOOXIH-ABTZFFQLSA-N 0 0 311.366 3.021 10 30 DGEERN N/C(=N\O)c1ccccc1COc1ccc(Br)cc1 ZINC000019433301 182123233 /nfs/dbraw/zinc/12/32/33/182123233.db2.gz PWIOFQALZVXZNR-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN COC(=O)c1sc2ncnc(Nc3ccccc3C#N)c2c1C ZINC000019950724 182169389 /nfs/dbraw/zinc/16/93/89/182169389.db2.gz IIMXGAOYFLPYMU-UHFFFAOYSA-N 0 0 324.365 3.402 10 30 DGEERN C=CCC[C@H](C(=O)N1CCN(CC(F)F)CC1)c1ccccc1 ZINC000494838031 246200687 /nfs/dbraw/zinc/20/06/87/246200687.db2.gz YPMOXWXRRNGVOL-INIZCTEOSA-N 0 0 322.399 3.146 10 30 DGEERN C=CCC[C@H](C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000190244358 432134703 /nfs/dbraw/zinc/13/47/03/432134703.db2.gz LMBAANKHEYGXIM-PMACEKPBSA-N 0 0 323.436 3.456 10 30 DGEERN Cn1c(COc2ccc(C#N)c(Cl)c2)nnc1C1CCC1 ZINC000190257305 432136396 /nfs/dbraw/zinc/13/63/96/432136396.db2.gz PUKOCPWTXCCPDI-UHFFFAOYSA-N 0 0 302.765 3.187 10 30 DGEERN Cc1nsc(N(C)Cc2nc3c(s2)CCCC3)c1C#N ZINC000283759837 217753000 /nfs/dbraw/zinc/75/30/00/217753000.db2.gz MQUKMXIQOTWJHG-UHFFFAOYSA-N 0 0 304.444 3.295 10 30 DGEERN CCCCOc1ccc(C=NNc2cn[nH]c(=O)c2Cl)cc1 ZINC000033379968 182707848 /nfs/dbraw/zinc/70/78/48/182707848.db2.gz JNNOCSDNMJIZKZ-MFOYZWKCSA-N 0 0 320.780 3.461 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000274320207 211508757 /nfs/dbraw/zinc/50/87/57/211508757.db2.gz GFTQWFBVZYOQQA-UONOGXRCSA-N 0 0 323.437 3.364 10 30 DGEERN CC[C@@H](C)N[C@H](C#N)c1cc2c(c(Br)c1)OCO2 ZINC000038064460 182985271 /nfs/dbraw/zinc/98/52/71/182985271.db2.gz ZIJCIIUWNYLSPY-LDYMZIIASA-N 0 0 311.179 3.131 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000182108661 291670725 /nfs/dbraw/zinc/67/07/25/291670725.db2.gz NBBQTJFRRZKJLD-UGSOOPFHSA-N 0 0 305.381 3.485 10 30 DGEERN CC(C)N(CCc1nccs1)C(=O)Nc1ccc(C#N)cc1 ZINC000152821841 284643041 /nfs/dbraw/zinc/64/30/41/284643041.db2.gz WEIDKUYQDYMNNJ-UHFFFAOYSA-N 0 0 314.414 3.500 10 30 DGEERN C=CCNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040598990 183108278 /nfs/dbraw/zinc/10/82/78/183108278.db2.gz SWUVRAMQBUOMAL-UHFFFAOYSA-N 0 0 307.260 3.005 10 30 DGEERN N=C1NC(=Nc2cccc(Br)c2)c2ccccc21 ZINC000040802665 183136136 /nfs/dbraw/zinc/13/61/36/183136136.db2.gz ZCBQTSTUXVLDSW-UHFFFAOYSA-N 0 0 300.159 3.246 10 30 DGEERN CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)C(=O)[O-])cc1 ZINC000043307815 183353663 /nfs/dbraw/zinc/35/36/63/183353663.db2.gz TVWGFFRIQKHMCB-IBGZPJMESA-N 0 0 321.461 3.297 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000106650164 194240103 /nfs/dbraw/zinc/24/01/03/194240103.db2.gz DCRYJLUTIZUCAL-CVEARBPZSA-N 0 0 310.328 3.448 10 30 DGEERN COCC#Cc1ccc2cc(-c3[nH]nc4cccnc43)[nH]c2c1 ZINC000066075372 184387156 /nfs/dbraw/zinc/38/71/56/184387156.db2.gz YVXXBLDYLKATOY-UHFFFAOYSA-N 0 0 302.337 3.104 10 30 DGEERN C[C@H]1C[C@@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114686154 194679579 /nfs/dbraw/zinc/67/95/79/194679579.db2.gz WOCXOSNLEISDQK-GUYCJALGSA-N 0 0 306.365 3.275 10 30 DGEERN CCN(C(=O)c1cc(C#N)cn1C)[C@H](C)c1cccc(OC)c1 ZINC000176665608 252707192 /nfs/dbraw/zinc/70/71/92/252707192.db2.gz RZXHRGJBQJDBSM-CYBMUJFWSA-N 0 0 311.385 3.129 10 30 DGEERN N#Cc1cn(Cc2nc3cc(F)ccc3o2)c2ccccc2c1=O ZINC000176753317 252708095 /nfs/dbraw/zinc/70/80/95/252708095.db2.gz KAXJURAJVWCXGK-UHFFFAOYSA-N 0 0 319.295 3.202 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000119542256 194991675 /nfs/dbraw/zinc/99/16/75/194991675.db2.gz QZQREYPEPIVHBU-GOSISDBHSA-N 0 0 324.355 3.220 10 30 DGEERN C=C(C)[C@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)OCC ZINC000270034233 208088692 /nfs/dbraw/zinc/08/86/92/208088692.db2.gz HQNWKTMMWUPALT-KRWDZBQOSA-N 0 0 318.392 3.337 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCO[C@H](c2ccsc2)C1)OCC ZINC000270053113 208109937 /nfs/dbraw/zinc/10/99/37/208109937.db2.gz COTJAYALQSMLPJ-CABCVRRESA-N 0 0 309.431 3.019 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000120161812 195109270 /nfs/dbraw/zinc/10/92/70/195109270.db2.gz UBCRSGMZIMAKEI-QGZVFWFLSA-N 0 0 312.392 3.385 10 30 DGEERN CO[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@H]1C ZINC000249982070 285092203 /nfs/dbraw/zinc/09/22/03/285092203.db2.gz YSDHHIKVHFZBKF-MEBBXXQBSA-N 0 0 317.339 3.246 10 30 DGEERN COc1ccc(SCCC(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436029689 533084464 /nfs/dbraw/zinc/08/44/64/533084464.db2.gz SODWDDVSTSUYMK-UHFFFAOYSA-N 0 0 313.382 3.083 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000343234391 254118690 /nfs/dbraw/zinc/11/86/90/254118690.db2.gz JSPSTPIIKKJVKE-GUYCJALGSA-N 0 0 300.308 3.149 10 30 DGEERN Cc1cc(C)c(C#N)c(NCc2ccn(Cc3ccccc3)n2)n1 ZINC000343138784 254104433 /nfs/dbraw/zinc/10/44/33/254104433.db2.gz DNBCINJUNAUXGJ-UHFFFAOYSA-N 0 0 317.396 3.427 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000271379062 208862857 /nfs/dbraw/zinc/86/28/57/208862857.db2.gz ATVODHTZPWDTFO-LBPRGKRZSA-N 0 0 321.726 3.340 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000156769865 197139113 /nfs/dbraw/zinc/13/91/13/197139113.db2.gz KAYATHUDMRBIBN-UHFFFAOYSA-N 0 0 316.445 3.387 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000155568302 197067167 /nfs/dbraw/zinc/06/71/67/197067167.db2.gz UPYNFJLVGKBOBY-WBVHZDCISA-N 0 0 304.434 3.149 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000155241059 197035775 /nfs/dbraw/zinc/03/57/75/197035775.db2.gz JDOAZUJXKZDHNX-INIZCTEOSA-N 0 0 302.761 3.378 10 30 DGEERN C=CCOC[C@@H]1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000503719102 257208406 /nfs/dbraw/zinc/20/84/06/257208406.db2.gz XVNCDTMQCTXAGO-KSZLIROESA-N 0 0 305.393 3.150 10 30 DGEERN N#Cc1cnc(N2CCC([C@H]3CCCOC3)CC2)c(Cl)c1 ZINC000378603154 257235499 /nfs/dbraw/zinc/23/54/99/257235499.db2.gz CMJTULOGNLVWMP-AWEZNQCLSA-N 0 0 305.809 3.250 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000124052745 195598521 /nfs/dbraw/zinc/59/85/21/195598521.db2.gz WQOIERLYFLQAOO-UHFFFAOYSA-N 0 0 309.325 3.047 10 30 DGEERN C[C@@H](NC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000358069122 533237464 /nfs/dbraw/zinc/23/74/64/533237464.db2.gz DOYGUEJPMYXRGZ-BXUZGUMPSA-N 0 0 311.410 3.332 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)N(CCC#N)CC1CC1 ZINC000156468369 533379475 /nfs/dbraw/zinc/37/94/75/533379475.db2.gz BNVVMPIQGNYHDP-LBPRGKRZSA-N 0 0 301.394 3.012 10 30 DGEERN C[C@@H](CC(=O)Nc1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000436017404 533445196 /nfs/dbraw/zinc/44/51/96/533445196.db2.gz XVMGDANDHYSOPT-JTQLQIEISA-N 0 0 301.296 3.364 10 30 DGEERN CS(=O)(=O)c1cccc(OCC#Cc2ccc(Cl)cc2)c1 ZINC000177476017 533459375 /nfs/dbraw/zinc/45/93/75/533459375.db2.gz ORUMYNZERCSOHA-UHFFFAOYSA-N 0 0 320.797 3.174 10 30 DGEERN COc1cccc(N2CC[C@H](CNc3ccc(C)c(C#N)n3)C2)c1 ZINC000302638023 533585437 /nfs/dbraw/zinc/58/54/37/533585437.db2.gz KPNPKFFEHGEXKR-OAHLLOKOSA-N 0 0 322.412 3.209 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000066522937 400095825 /nfs/dbraw/zinc/09/58/25/400095825.db2.gz RGYVLPGSMRVLTC-STQMWFEESA-N 0 0 301.390 3.111 10 30 DGEERN C=CCn1c(CC)nnc1N(C)Cc1cc(Cl)ccc1F ZINC000581500894 400080253 /nfs/dbraw/zinc/08/02/53/400080253.db2.gz UCLXQTSCPBHHJF-UHFFFAOYSA-N 0 0 308.788 3.455 10 30 DGEERN Cc1noc([C@@H]2CC[C@H](CNc3cc(Cl)ccc3C#N)O2)n1 ZINC000286559469 400081335 /nfs/dbraw/zinc/08/13/35/400081335.db2.gz FBKCVNBQRGIOLV-OCCSQVGLSA-N 0 0 318.764 3.235 10 30 DGEERN CC(/C=N/NS(=O)(=O)c1ccccc1)=C/c1ccccc1 ZINC000003526581 400082824 /nfs/dbraw/zinc/08/28/24/400082824.db2.gz PGOVUJIYUPEFRW-XSZMWJROSA-N 0 0 300.383 3.054 10 30 DGEERN C=C/C(C)=C/CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600477729 400083216 /nfs/dbraw/zinc/08/32/16/400083216.db2.gz USWFMUPPFSWLLI-SYZQJQIISA-N 0 0 310.397 3.203 10 30 DGEERN N#Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616633215 400188885 /nfs/dbraw/zinc/18/88/85/400188885.db2.gz LMSHSVPMCXSXNA-QGZVFWFLSA-N 0 0 312.394 3.084 10 30 DGEERN N#Cc1ccc(CSCC(=O)Nc2ccc3nccn3c2)cc1 ZINC000609623112 400181425 /nfs/dbraw/zinc/18/14/25/400181425.db2.gz NLXDFNNBTALCCD-UHFFFAOYSA-N 0 0 322.393 3.078 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)Nc1ccc(F)cn1 ZINC000328616833 400182623 /nfs/dbraw/zinc/18/26/23/400182623.db2.gz CCOIGJJUJIONNI-SNVBAGLBSA-N 0 0 320.393 3.432 10 30 DGEERN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609097118 400139093 /nfs/dbraw/zinc/13/90/93/400139093.db2.gz BTMLNGBQWVBUCT-QAPCUYQASA-N 0 0 311.429 3.176 10 30 DGEERN COc1cccc2cc(C(=O)NCc3ccc(C#N)cc3F)oc21 ZINC000609228839 400152552 /nfs/dbraw/zinc/15/25/52/400152552.db2.gz IVAFLMVQFMTSQI-UHFFFAOYSA-N 0 0 324.311 3.382 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCc2c(CC#N)cccc2C1)OCC ZINC000600786773 400153022 /nfs/dbraw/zinc/15/30/22/400153022.db2.gz SNLAZYWUHVEIMK-SFHVURJKSA-N 0 0 312.413 3.009 10 30 DGEERN COc1ccc(C)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252664 400154127 /nfs/dbraw/zinc/15/41/27/400154127.db2.gz YBAMWQFIZJYPFY-UHFFFAOYSA-N 0 0 313.332 3.336 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2c(F)cccc2F)c(F)c1 ZINC000609251601 400154312 /nfs/dbraw/zinc/15/43/12/400154312.db2.gz NPDQRGZXGXSBJI-UHFFFAOYSA-N 0 0 305.259 3.297 10 30 DGEERN C=CCCc1noc([C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000351130437 400234520 /nfs/dbraw/zinc/23/45/20/400234520.db2.gz JIFYDHYGBODINZ-ZDUSSCGKSA-N 0 0 317.414 3.156 10 30 DGEERN C=CC1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601148811 400248451 /nfs/dbraw/zinc/24/84/51/400248451.db2.gz ASWYISJJKVRPDA-UHFFFAOYSA-N 0 0 314.385 3.441 10 30 DGEERN C=CCCCc1nc([C@H](C)n2cc(Br)cn2)no1 ZINC000351376642 400250918 /nfs/dbraw/zinc/25/09/18/400250918.db2.gz GVEONSTUBLOJDM-VIFPVBQESA-N 0 0 311.183 3.147 10 30 DGEERN CC[C@@H](C)[C@@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)C(N)=O ZINC000092685000 400194281 /nfs/dbraw/zinc/19/42/81/400194281.db2.gz WDZXWKKIRJMMAI-RFAUZJTJSA-N 0 0 316.792 3.072 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)[nH]2)c(F)c1 ZINC000609875409 400197961 /nfs/dbraw/zinc/19/79/61/400197961.db2.gz OBJWHZRKUHFOIM-UHFFFAOYSA-N 0 0 320.327 3.017 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601019165 400205267 /nfs/dbraw/zinc/20/52/67/400205267.db2.gz DLBTZFRRGCABKI-RBUKOAKNSA-N 0 0 324.424 3.136 10 30 DGEERN C=CCCCCCNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O ZINC000616696974 400207538 /nfs/dbraw/zinc/20/75/38/400207538.db2.gz MVGFVAXCHNXELV-MRXNPFEDSA-N 0 0 305.418 3.068 10 30 DGEERN Cn1ccnc1C[C@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000610541753 400273039 /nfs/dbraw/zinc/27/30/39/400273039.db2.gz NRBRGJBFXMCZKH-KRWDZBQOSA-N 0 0 303.369 3.083 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2cnn3ccc(C)nc23)c1 ZINC000068676700 400279563 /nfs/dbraw/zinc/27/95/63/400279563.db2.gz QSIVDAGCVAYCEP-UHFFFAOYSA-N 0 0 322.368 3.245 10 30 DGEERN Cc1nnc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C1CC1 ZINC000610604090 400280554 /nfs/dbraw/zinc/28/05/54/400280554.db2.gz WTHLVOMDQVXIKX-MSOLQXFVSA-N 0 0 321.428 3.193 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1cccs1 ZINC000617034504 400286653 /nfs/dbraw/zinc/28/66/53/400286653.db2.gz AASSFWADUUXYPB-ZIAGYGMSSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000617034495 400286768 /nfs/dbraw/zinc/28/67/68/400286768.db2.gz AAJXAEBSVFGHAN-DOMZBBRYSA-N 0 0 311.385 3.200 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000617034497 400286934 /nfs/dbraw/zinc/28/69/34/400286934.db2.gz AAJXAEBSVFGHAN-SWLSCSKDSA-N 0 0 311.385 3.200 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000617035803 400288073 /nfs/dbraw/zinc/28/80/73/400288073.db2.gz SPHVHJLTZJINAQ-NEPJUHHUSA-N 0 0 315.339 3.153 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000617037597 400288121 /nfs/dbraw/zinc/28/81/21/400288121.db2.gz OVGQTOYYHZDIOD-RDJZCZTQSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2cc(C)nn2c1C ZINC000617036996 400288194 /nfs/dbraw/zinc/28/81/94/400288194.db2.gz HCQADQTYOZMPPY-ZBFHGGJFSA-N 0 0 312.417 3.211 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000617039638 400288745 /nfs/dbraw/zinc/28/87/45/400288745.db2.gz JQGJYNZFVYSKLL-PBHICJAKSA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617038569 400288751 /nfs/dbraw/zinc/28/87/51/400288751.db2.gz ZARJTLIEZBVIGS-CABCVRRESA-N 0 0 301.386 3.209 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nncn1C(C)C ZINC000617038439 400288873 /nfs/dbraw/zinc/28/88/73/400288873.db2.gz XERJYLAHRWGCQR-UONOGXRCSA-N 0 0 322.478 3.202 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617039150 400288881 /nfs/dbraw/zinc/28/88/81/400288881.db2.gz CYCQTJZXJJLMDL-PBHICJAKSA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)n1 ZINC000617040199 400289837 /nfs/dbraw/zinc/28/98/37/400289837.db2.gz QSNGPHNWDRGGKV-GJZGRUSLSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(C)c(C)sc1=O ZINC000617040432 400289918 /nfs/dbraw/zinc/28/99/18/400289918.db2.gz UHBUFGXNLNGWRZ-CABCVRRESA-N 0 0 322.474 3.168 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000617041299 400289958 /nfs/dbraw/zinc/28/99/58/400289958.db2.gz BXLIELLFPKZXOC-YOEHRIQHSA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccccc1OC ZINC000617042820 400291119 /nfs/dbraw/zinc/29/11/19/400291119.db2.gz WCFDGAQBCVQKKJ-HIFRSBDPSA-N 0 0 301.386 3.129 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc2ccccc2c1=O ZINC000617042689 400291124 /nfs/dbraw/zinc/29/11/24/400291124.db2.gz UXZAUBUWKFLZOK-SJLPKXTDSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000617042065 400291196 /nfs/dbraw/zinc/29/11/96/400291196.db2.gz MSLCNLXULMDDNH-BBRMVZONSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000617042439 400291533 /nfs/dbraw/zinc/29/15/33/400291533.db2.gz RGWHMDUXRMZTPX-DOTOQJQBSA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000617044492 400292362 /nfs/dbraw/zinc/29/23/62/400292362.db2.gz OQCMZKYHRNFECF-WCQYABFASA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CCCC2 ZINC000617044471 400292368 /nfs/dbraw/zinc/29/23/68/400292368.db2.gz OGSOUKKMHZCDQM-HIFRSBDPSA-N 0 0 301.434 3.164 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccnn1CCC ZINC000068840449 400294368 /nfs/dbraw/zinc/29/43/68/400294368.db2.gz BPWSBLIYOQZALT-UHFFFAOYSA-N 0 0 323.400 3.385 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(C[C@H](C)C(=O)OC)cc2)C1 ZINC000601442267 400301111 /nfs/dbraw/zinc/30/11/11/400301111.db2.gz WVUPGYHGZZMVEQ-ZDUSSCGKSA-N 0 0 301.386 3.333 10 30 DGEERN C=CCC1(C(=O)Nc2cncc3c2CCCC3)CCOCC1 ZINC000617099176 400308467 /nfs/dbraw/zinc/30/84/67/400308467.db2.gz RDHFJKPUBTXHBC-UHFFFAOYSA-N 0 0 300.402 3.272 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000516660576 400309343 /nfs/dbraw/zinc/30/93/43/400309343.db2.gz BUSBXGVDUQXRMX-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1)C1CC1 ZINC000601600024 400315421 /nfs/dbraw/zinc/31/54/21/400315421.db2.gz FJEWZJQIUPGNJF-UHFFFAOYSA-N 0 0 323.396 3.224 10 30 DGEERN C=CCCCCCN(C)C(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000610879949 400319284 /nfs/dbraw/zinc/31/92/84/400319284.db2.gz JKFZRTNZURSGHJ-UHFFFAOYSA-N 0 0 307.365 3.431 10 30 DGEERN CCOC(=O)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000380920911 400258106 /nfs/dbraw/zinc/25/81/06/400258106.db2.gz XGWINXFRGSBECJ-UHFFFAOYSA-N 0 0 307.393 3.103 10 30 DGEERN C=CCCC1(CNC(=O)CCCC(=O)NC(C)C)CCCC1 ZINC000617416412 400384401 /nfs/dbraw/zinc/38/44/01/400384401.db2.gz PEGABXQKRCYLCM-UHFFFAOYSA-N 0 0 308.466 3.324 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)OC[C@@H]2CCCO2)CCCC1 ZINC000617416636 400384533 /nfs/dbraw/zinc/38/45/33/400384533.db2.gz ZHCVXNUVMCVZOT-HOTGVXAUSA-N 0 0 309.450 3.213 10 30 DGEERN C=CCCC1(CNC(=O)c2cnc3nccnc3c2)CCCC1 ZINC000617416993 400385134 /nfs/dbraw/zinc/38/51/34/400385134.db2.gz HFWVMBSSVGRSRB-UHFFFAOYSA-N 0 0 310.401 3.281 10 30 DGEERN C=CCCC1(CNC(=O)COCc2cc(C)no2)CCCC1 ZINC000617417837 400385521 /nfs/dbraw/zinc/38/55/21/400385521.db2.gz IOHFRSKDJZETAF-UHFFFAOYSA-N 0 0 306.406 3.142 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)CCCC1 ZINC000617417455 400385620 /nfs/dbraw/zinc/38/56/20/400385620.db2.gz ZIVRKLCOKJYQPJ-CQSZACIVSA-N 0 0 301.434 3.157 10 30 DGEERN C[C@H]1CN=C(Nc2ccc(I)cc2)S1 ZINC000035286928 400387566 /nfs/dbraw/zinc/38/75/66/400387566.db2.gz ZRPCNTPUJQWVOY-ZETCQYMHSA-N 0 0 318.183 3.004 10 30 DGEERN C[C@H]1CSC(Nc2cccc(I)c2)=N1 ZINC000035286952 400387633 /nfs/dbraw/zinc/38/76/33/400387633.db2.gz WIDDDTPLYTYCLJ-ZETCQYMHSA-N 0 0 318.183 3.004 10 30 DGEERN C[C@@H]1CN=C(Nc2ccc(I)cc2)S1 ZINC000035286926 400387900 /nfs/dbraw/zinc/38/79/00/400387900.db2.gz ZRPCNTPUJQWVOY-SSDOTTSWSA-N 0 0 318.183 3.004 10 30 DGEERN C[C@@H]1CSC(Nc2ccccc2I)=N1 ZINC000035286983 400388091 /nfs/dbraw/zinc/38/80/91/400388091.db2.gz VPXSPPYXKTUBHC-SSDOTTSWSA-N 0 0 318.183 3.004 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)CC)cc1OC ZINC000578323807 400327546 /nfs/dbraw/zinc/32/75/46/400327546.db2.gz XJWWVOIHWSXBEJ-INIZCTEOSA-N 0 0 321.417 3.239 10 30 DGEERN C=CC1CCN(c2nnc(-c3scnc3C)n2CC)CC1 ZINC000578650803 400330604 /nfs/dbraw/zinc/33/06/04/400330604.db2.gz LSUJHXVSHQHYFF-UHFFFAOYSA-N 0 0 303.435 3.132 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000579000416 400334709 /nfs/dbraw/zinc/33/47/09/400334709.db2.gz ILPRYOFFFQYNPE-LSDHHAIUSA-N 0 0 324.428 3.254 10 30 DGEERN N#CC1CCC(CNC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000579550504 400339633 /nfs/dbraw/zinc/33/96/33/400339633.db2.gz NRUBHMOWZRAGKE-UHFFFAOYSA-N 0 0 304.419 3.083 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)C[C@H]1C ZINC000579591772 400340894 /nfs/dbraw/zinc/34/08/94/400340894.db2.gz NZGJIRJTEBCBJQ-GHMZBOCLSA-N 0 0 303.435 3.131 10 30 DGEERN C=C(C)[C@H](CO)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000611080417 400344042 /nfs/dbraw/zinc/34/40/42/400344042.db2.gz VEUVMQLJQDPWPY-NSHDSACASA-N 0 0 302.321 3.310 10 30 DGEERN C=C(C)C[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(=O)OC ZINC000601782515 400347907 /nfs/dbraw/zinc/34/79/07/400347907.db2.gz POMWDRXATWXTLR-PREGVCBESA-N 0 0 315.413 3.194 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(F)F)cc1F)C(=O)OC ZINC000601783150 400348173 /nfs/dbraw/zinc/34/81/73/400348173.db2.gz AFPBVVNXJJWBTB-GFCCVEGCSA-N 0 0 315.291 3.001 10 30 DGEERN C=CCCCCCNc1ccccc1C(=O)N1CCC[C@@H]1CO ZINC000580873163 400348373 /nfs/dbraw/zinc/34/83/73/400348373.db2.gz SQNZTJLCISSOME-MRXNPFEDSA-N 0 0 316.445 3.442 10 30 DGEERN C=CCC1(C(=O)NCc2cc(C)c(C(=O)OC)o2)CCCC1 ZINC000601840885 400363730 /nfs/dbraw/zinc/36/37/30/400363730.db2.gz BMMMITAWPNJNPB-UHFFFAOYSA-N 0 0 305.374 3.127 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601875638 400369032 /nfs/dbraw/zinc/36/90/32/400369032.db2.gz XJMLKLOIHMXWMA-HUUCEWRRSA-N 0 0 301.438 3.181 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH]c(=O)c1 ZINC000590287183 400375147 /nfs/dbraw/zinc/37/51/47/400375147.db2.gz NVQDNQJSJHGBHI-NVXWUHKLSA-N 0 0 321.380 3.008 10 30 DGEERN C=CCOc1ccc(O[C@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000601923623 400375998 /nfs/dbraw/zinc/37/59/98/400375998.db2.gz RXOYMFIEHRHEMF-LLVKDONJSA-N 0 0 303.314 3.166 10 30 DGEERN Cc1cccc(NC(=O)NCc2ccc(C#N)cc2F)c1F ZINC000611434245 400401091 /nfs/dbraw/zinc/40/10/91/400401091.db2.gz BPBTWDQEOBFQLL-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN CC(=O)c1ccc(CC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000617562789 400409829 /nfs/dbraw/zinc/40/98/29/400409829.db2.gz XDMDMZXWVWAPOQ-UHFFFAOYSA-N 0 0 320.392 3.355 10 30 DGEERN CC1(C#N)CCN(C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000611544384 400418651 /nfs/dbraw/zinc/41/86/51/400418651.db2.gz YSNDROHFNWHHAM-OAHLLOKOSA-N 0 0 311.429 3.127 10 30 DGEERN N#Cc1ccc(-n2ccc(OCc3ccccc3)cc2=O)c(F)c1 ZINC000118659209 400430257 /nfs/dbraw/zinc/43/02/57/400430257.db2.gz FVEGZXGWWGZHNR-UHFFFAOYSA-N 0 0 320.323 3.427 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000617619760 400427343 /nfs/dbraw/zinc/42/73/43/400427343.db2.gz CXXGPONOTWAAND-LLVKDONJSA-N 0 0 301.308 3.015 10 30 DGEERN C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(C#N)cc1F ZINC000611591269 400427872 /nfs/dbraw/zinc/42/78/72/400427872.db2.gz HQCFYOZFECZSTN-NSHDSACASA-N 0 0 309.344 3.156 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617920807 400476710 /nfs/dbraw/zinc/47/67/10/400476710.db2.gz IPNXIGUEOARYMB-IJEWVQPXSA-N 0 0 301.386 3.314 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC(COC)(C3CCC3)C2)cc1 ZINC000617981458 400496604 /nfs/dbraw/zinc/49/66/04/400496604.db2.gz SODFPXZLHUCKMI-UHFFFAOYSA-N 0 0 315.413 3.140 10 30 DGEERN CN(C[C@H]1CC=CCC1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000612124863 400496758 /nfs/dbraw/zinc/49/67/58/400496758.db2.gz UOEBJNIBWRBNHG-HKUYNNGSSA-N 0 0 323.440 3.342 10 30 DGEERN C=C[C@@H](C)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612265491 400515007 /nfs/dbraw/zinc/51/50/07/400515007.db2.gz ZBLBBKXDTNZGNL-LLVKDONJSA-N 0 0 323.234 3.354 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000618098019 400524698 /nfs/dbraw/zinc/52/46/98/400524698.db2.gz SEFFKPMQRFYCMZ-CHWSQXEVSA-N 0 0 303.427 3.262 10 30 DGEERN C#C[C@@H](NC)c1cc(Br)ccc1Br ZINC000130329250 400536796 /nfs/dbraw/zinc/53/67/96/400536796.db2.gz NVUOHBOAUQFSQZ-SNVBAGLBSA-N 0 0 302.997 3.105 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC000591621751 400546495 /nfs/dbraw/zinc/54/64/95/400546495.db2.gz PRKFJFAZXBKRHN-BBRMVZONSA-N 0 0 317.462 3.162 10 30 DGEERN CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000074978287 400552046 /nfs/dbraw/zinc/55/20/46/400552046.db2.gz KAYJGRMUMBXMNF-PWSUYJOCSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCC1(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CCOCC1 ZINC000618251238 400552164 /nfs/dbraw/zinc/55/21/64/400552164.db2.gz FMMSRZAVFCVFCR-MAUKXSAKSA-N 0 0 303.377 3.113 10 30 DGEERN C=C(C)C[C@H](NCc1cnc(-c2ccccc2)s1)C(=O)OC ZINC000602734257 400556855 /nfs/dbraw/zinc/55/68/55/400556855.db2.gz NONBGUQBIFTVHB-HNNXBMFYSA-N 0 0 316.426 3.408 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000618273629 400557225 /nfs/dbraw/zinc/55/72/25/400557225.db2.gz FKMVIBPWMTZZCR-CHWSQXEVSA-N 0 0 305.443 3.054 10 30 DGEERN C=C(C)C[C@H](N[C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)OC ZINC000602735318 400557927 /nfs/dbraw/zinc/55/79/27/400557927.db2.gz UTYXXOWWROHXDH-UAGQMJEPSA-N 0 0 302.418 3.205 10 30 DGEERN C=C(C)C[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OC ZINC000602735316 400558592 /nfs/dbraw/zinc/55/85/92/400558592.db2.gz UTYXXOWWROHXDH-OIISXLGYSA-N 0 0 302.418 3.205 10 30 DGEERN C=CCN(Cc1nc(CC2CC2)no1)Cc1cccc(C#N)c1 ZINC000602768443 400569537 /nfs/dbraw/zinc/56/95/37/400569537.db2.gz IVTKGVBMXFBYKA-UHFFFAOYSA-N 0 0 308.385 3.082 10 30 DGEERN N#Cc1cccc(/C=C/c2nc(COCC(F)(F)F)no2)c1 ZINC000612874476 400620364 /nfs/dbraw/zinc/62/03/64/400620364.db2.gz WIBZXLZLVFNMSM-SNAWJCMRSA-N 0 0 309.247 3.191 10 30 DGEERN C=CC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC2CC2)C1 ZINC000612949028 400632085 /nfs/dbraw/zinc/63/20/85/400632085.db2.gz KYNOTUSTVGUVAR-GDBMZVCRSA-N 0 0 316.449 3.332 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1ccccc1CCSC ZINC000603080424 400638705 /nfs/dbraw/zinc/63/87/05/400638705.db2.gz MOGDLFXJBDWFIB-UHFFFAOYSA-N 0 0 308.447 3.258 10 30 DGEERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](CC=O)C[C@@H]2O ZINC000136036605 400589029 /nfs/dbraw/zinc/58/90/29/400589029.db2.gz WTYKILVOASHUIM-HWXRTLRCSA-N 0 0 314.425 3.424 10 30 DGEERN C=CCCCNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592017371 400597007 /nfs/dbraw/zinc/59/70/07/400597007.db2.gz QLBGROQSUSZABA-UHFFFAOYSA-N 0 0 310.438 3.106 10 30 DGEERN CCC1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000075713845 400606980 /nfs/dbraw/zinc/60/69/80/400606980.db2.gz YLOQWHJOLHJYBZ-VQCLRJIVSA-N 0 0 300.402 3.411 10 30 DGEERN C=CCOCCCNC(=O)COc1cc(C)ccc1C(C)C ZINC000618515480 400608374 /nfs/dbraw/zinc/60/83/74/400608374.db2.gz WXDFLTMVACJZDK-UHFFFAOYSA-N 0 0 305.418 3.206 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592128413 400609631 /nfs/dbraw/zinc/60/96/31/400609631.db2.gz LTZTVYQNEPUPHZ-QLFBSQMISA-N 0 0 322.449 3.247 10 30 DGEERN C=CCOCCCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000618523243 400610710 /nfs/dbraw/zinc/61/07/10/400610710.db2.gz AIOMUORYBWRNRX-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000618523874 400610848 /nfs/dbraw/zinc/61/08/48/400610848.db2.gz SVIIMEJTIMMILQ-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000618520796 400611136 /nfs/dbraw/zinc/61/11/36/400611136.db2.gz KBBJWQGZWFWACZ-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000618525259 400611514 /nfs/dbraw/zinc/61/15/14/400611514.db2.gz AFEVVRFAOMFFIM-CYBMUJFWSA-N 0 0 311.422 3.263 10 30 DGEERN C=CCOCCCNC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000618526098 400611610 /nfs/dbraw/zinc/61/16/10/400611610.db2.gz KARKBYRBETVJBI-UHFFFAOYSA-N 0 0 305.393 3.247 10 30 DGEERN C=CCOCCCNC(=O)Cc1cccc(Cl)c1Cl ZINC000618524651 400611739 /nfs/dbraw/zinc/61/17/39/400611739.db2.gz NCZHEVSFQIGNIF-UHFFFAOYSA-N 0 0 302.201 3.245 10 30 DGEERN C=CCCCN(C)C(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000076485434 400657462 /nfs/dbraw/zinc/65/74/62/400657462.db2.gz MKMVNMKTQAXTSW-UHFFFAOYSA-N 0 0 318.808 3.267 10 30 DGEERN C#CCOc1ccccc1/C=N/NC(=S)Nc1ccccc1 ZINC000048572959 400658858 /nfs/dbraw/zinc/65/88/58/400658858.db2.gz QWRXQFVGRYSLQN-QGOAFFKASA-N 0 0 309.394 3.019 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(C)(C)C1CCCCC1 ZINC000613151815 400663761 /nfs/dbraw/zinc/66/37/61/400663761.db2.gz LCZQWNLHOSYLJU-MRXNPFEDSA-N 0 0 308.466 3.180 10 30 DGEERN C#Cc1ccc(Cn2nc(C)c(CC(=O)OC(C)(C)C)c2C)cc1 ZINC000149664348 400661022 /nfs/dbraw/zinc/66/10/22/400661022.db2.gz RPFXCZDOKQXOGW-UHFFFAOYSA-N 0 0 324.424 3.414 10 30 DGEERN C=C(C)CN(C)c1ccc(Br)c(C(=O)OCC)n1 ZINC000603332921 400671103 /nfs/dbraw/zinc/67/11/03/400671103.db2.gz BVVIXZVGMUHZGN-UHFFFAOYSA-N 0 0 313.195 3.033 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000613271664 400686589 /nfs/dbraw/zinc/68/65/89/400686589.db2.gz IDXYNOKFULDQEM-ZDUSSCGKSA-N 0 0 314.429 3.415 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000077597514 400729802 /nfs/dbraw/zinc/72/98/02/400729802.db2.gz BGIGSACSQBDKIY-UHFFFAOYSA-N 0 0 315.417 3.327 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000159687880 400731368 /nfs/dbraw/zinc/73/13/68/400731368.db2.gz NVODTVPLHUVOOT-LLVKDONJSA-N 0 0 302.683 3.391 10 30 DGEERN CC#CCCCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000613400447 400710006 /nfs/dbraw/zinc/71/00/06/400710006.db2.gz OPFIYYLKKVKWPS-QGZVFWFLSA-N 0 0 315.413 3.237 10 30 DGEERN CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000078520371 400807010 /nfs/dbraw/zinc/80/70/10/400807010.db2.gz 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/nfs/dbraw/zinc/82/02/97/400820297.db2.gz HJLYHZAJPDYXLL-MRVPVSSYSA-N 0 0 308.179 3.020 10 30 DGEERN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(C#N)c1 ZINC000179958785 400880459 /nfs/dbraw/zinc/88/04/59/400880459.db2.gz UDGIMFLJLUAHON-UHFFFAOYSA-N 0 0 301.349 3.390 10 30 DGEERN Cc1ccc(C[C@@H](C)N(C)C(=O)Cc2ccc(C#N)cc2)cc1 ZINC000172471724 400829639 /nfs/dbraw/zinc/82/96/39/400829639.db2.gz IDDZFCKIPZMNQG-MRXNPFEDSA-N 0 0 306.409 3.499 10 30 DGEERN C=CCC[C@@H](C(=O)NCC1CCC(O)CC1)c1ccccc1 ZINC000619410796 400842118 /nfs/dbraw/zinc/84/21/18/400842118.db2.gz CEPSABBVNSXRCT-VMWRSERWSA-N 0 0 301.430 3.404 10 30 DGEERN N#CC[C@H](CC(=O)Nc1ccc2nccn2c1)c1ccccc1 ZINC000619436023 400848064 /nfs/dbraw/zinc/84/80/64/400848064.db2.gz KHOWTMJFZDLIDC-OAHLLOKOSA-N 0 0 304.353 3.360 10 30 DGEERN N#Cc1ccc(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000174512049 400859681 /nfs/dbraw/zinc/85/96/81/400859681.db2.gz FKBIPRQQQWBNMB-SFHVURJKSA-N 0 0 312.413 3.051 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)[C@@H]1Cc3ccc(F)cc31)CCCC2 ZINC000619519786 400860140 /nfs/dbraw/zinc/86/01/40/400860140.db2.gz FDOPNQZUZZIPAB-MRXNPFEDSA-N 0 0 321.355 3.250 10 30 DGEERN C=CCCCN(C)C(=O)NCCCOc1ccccc1OC ZINC000605885110 400887123 /nfs/dbraw/zinc/88/71/23/400887123.db2.gz TVGPDLOMJZVFAI-UHFFFAOYSA-N 0 0 306.406 3.072 10 30 DGEERN CC(=O)c1nc(N2CCc3c(CC#N)cccc3C2)sc1C ZINC000624749768 400938334 /nfs/dbraw/zinc/93/83/34/400938334.db2.gz XOXFZIOCBFJTGZ-UHFFFAOYSA-N 0 0 311.410 3.283 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](n2cc(C)cn2)C1 ZINC000633411362 400940423 /nfs/dbraw/zinc/94/04/23/400940423.db2.gz PTCFBIRANKVFAD-HNNXBMFYSA-N 0 0 304.438 3.140 10 30 DGEERN CC(C)(C)OC(=O)Nc1ccc(N)c(C#Cc2ccccc2)n1 ZINC000215817818 400947952 /nfs/dbraw/zinc/94/79/52/400947952.db2.gz SWEUNVNJNOCUBL-UHFFFAOYSA-N 0 0 309.369 3.411 10 30 DGEERN C=CCSCCNC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000594016267 400949170 /nfs/dbraw/zinc/94/91/70/400949170.db2.gz LIUUQXFCBZOQPY-CQSZACIVSA-N 0 0 311.834 3.337 10 30 DGEERN C[C@@]1(CCCO)CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697219 400889921 /nfs/dbraw/zinc/88/99/21/400889921.db2.gz BVFAEAOZVUAOPM-AWEZNQCLSA-N 0 0 313.323 3.103 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cccc(NC(=O)CC)c1 ZINC000605953965 400890077 /nfs/dbraw/zinc/89/00/77/400890077.db2.gz NFLKSHZCGLUTRF-UHFFFAOYSA-N 0 0 303.406 3.143 10 30 DGEERN Cc1cc(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)s1 ZINC000182009218 400891247 /nfs/dbraw/zinc/89/12/47/400891247.db2.gz LHOJRUOHJIHRLK-HZMBPMFUSA-N 0 0 312.460 3.116 10 30 DGEERN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000182232708 400892227 /nfs/dbraw/zinc/89/22/27/400892227.db2.gz LRKBWTBGRUMKCK-IFXJQAMLSA-N 0 0 307.397 3.444 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC000182834019 400897020 /nfs/dbraw/zinc/89/70/20/400897020.db2.gz PJJWLXXICSXRPI-QGZVFWFLSA-N 0 0 310.397 3.336 10 30 DGEERN COc1ccc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)cn1 ZINC000182792644 400897822 /nfs/dbraw/zinc/89/78/22/400897822.db2.gz BGXYLFRKOBOJTH-UHFFFAOYSA-N 0 0 318.336 3.362 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000183337212 400901166 /nfs/dbraw/zinc/90/11/66/400901166.db2.gz KKZAPHSADLKHJT-VIFPVBQESA-N 0 0 303.189 3.360 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(C(C)(C)CC)cc1 ZINC000183783455 400902476 /nfs/dbraw/zinc/90/24/76/400902476.db2.gz DAMRCHMTUIGLFK-INIZCTEOSA-N 0 0 304.434 3.110 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccccc1SC ZINC000614450328 400902782 /nfs/dbraw/zinc/90/27/82/400902782.db2.gz UZDKCBSCOZNEDJ-WFASDCNBSA-N 0 0 320.458 3.057 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1SC ZINC000184619691 400904082 /nfs/dbraw/zinc/90/40/82/400904082.db2.gz BYIVLEDSQFTYPV-JTQLQIEISA-N 0 0 300.811 3.120 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)C(CC)CC ZINC000185419342 400905802 /nfs/dbraw/zinc/90/58/02/400905802.db2.gz CJSRYUUEXNNERM-IAGOWNOFSA-N 0 0 304.434 3.400 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@H](C)c2cccc(C)c2)nn1 ZINC000593936231 400922495 /nfs/dbraw/zinc/92/24/95/400922495.db2.gz OXXUDQKTLRZOGZ-SPLOXXLWSA-N 0 0 303.431 3.173 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)nn1 ZINC000593936333 400922737 /nfs/dbraw/zinc/92/27/37/400922737.db2.gz SDUDICFWHWFBRY-QKVFXAPYSA-N 0 0 307.394 3.003 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@@H]2CCCc3ccccc32)nn1 ZINC000593939726 400922832 /nfs/dbraw/zinc/92/28/32/400922832.db2.gz IMKSMXQVKPIBSB-VGSWGCGISA-N 0 0 315.442 3.181 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C)OCC ZINC000619918118 400923898 /nfs/dbraw/zinc/92/38/98/400923898.db2.gz BHNHBHRLJYJQHI-QXAKKESOSA-N 0 0 319.445 3.232 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)Cc1ccco1 ZINC000614722897 400935518 /nfs/dbraw/zinc/93/55/18/400935518.db2.gz WDRXWOYHWYCJPM-AWEZNQCLSA-N 0 0 317.385 3.148 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000620797107 400981647 /nfs/dbraw/zinc/98/16/47/400981647.db2.gz BRABVXZQXHILKK-WCQYABFASA-N 0 0 305.340 3.323 10 30 DGEERN C=CCN(CCC#N)C(=O)N[C@H](c1ccc(C)o1)C(F)(F)F ZINC000594163492 401010869 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C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000620301259 401049359 /nfs/dbraw/zinc/04/93/59/401049359.db2.gz LWJGAPLCHAAAFT-XJFOESAGSA-N 0 0 317.351 3.444 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1-c1ccccc1 ZINC000620305338 401050239 /nfs/dbraw/zinc/05/02/39/401050239.db2.gz CZOCIGJHZIVGDU-IYBDPMFKSA-N 0 0 307.397 3.410 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncsc1Br ZINC000620303460 401050673 /nfs/dbraw/zinc/05/06/73/401050673.db2.gz QAXOLCZHXXXROP-DTORHVGOSA-N 0 0 313.220 3.229 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC000620304331 401050751 /nfs/dbraw/zinc/05/07/51/401050751.db2.gz VTFFQKYQIRRNPH-BHYGNILZSA-N 0 0 322.408 3.272 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1cccc(OC)c1 ZINC000620302056 401050773 /nfs/dbraw/zinc/05/07/73/401050773.db2.gz PXWRDPAFCDFZSZ-HLLBOEOZSA-N 0 0 301.386 3.092 10 30 DGEERN C=CCN(CCC#N)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000594363784 401051486 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ZINC000623665996 401565319 /nfs/dbraw/zinc/56/53/19/401565319.db2.gz SJHXNOHLNHCESB-OAHLLOKOSA-N 0 0 318.417 3.420 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)C1 ZINC000623678498 401567829 /nfs/dbraw/zinc/56/78/29/401567829.db2.gz NOMRRZBEWLYSBO-CABCVRRESA-N 0 0 304.438 3.096 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000623686094 401568125 /nfs/dbraw/zinc/56/81/25/401568125.db2.gz DPWRRAYMHUXOAO-UHFFFAOYSA-N 0 0 300.406 3.273 10 30 DGEERN C=CC(C)(C)CCNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000628313138 401574447 /nfs/dbraw/zinc/57/44/47/401574447.db2.gz DOHPLEMJSJRBCP-UHFFFAOYSA-N 0 0 322.493 3.426 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000628312515 401574450 /nfs/dbraw/zinc/57/44/50/401574450.db2.gz FIQRDIXPIROEIS-UHFFFAOYSA-N 0 0 300.402 3.248 10 30 DGEERN C=CC(C)(C)CCNC(=O)C1(NC(=O)NC(C)C)CCCCC1 ZINC000628313101 401574476 /nfs/dbraw/zinc/57/44/76/401574476.db2.gz BXTCSBBKNZPXBL-UHFFFAOYSA-N 0 0 323.481 3.115 10 30 DGEERN 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401550746 /nfs/dbraw/zinc/55/07/46/401550746.db2.gz QUMISBNTQKSLLA-CYBMUJFWSA-N 0 0 306.381 3.080 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000623589973 401551939 /nfs/dbraw/zinc/55/19/39/401551939.db2.gz ABBOKTIRNSTPCG-AWEZNQCLSA-N 0 0 302.418 3.454 10 30 DGEERN C=C1CC(C)(C(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000631779239 401553229 /nfs/dbraw/zinc/55/32/29/401553229.db2.gz BCOPGEWSKYEOOQ-UHFFFAOYSA-N 0 0 311.223 3.102 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628656337 401624173 /nfs/dbraw/zinc/62/41/73/401624173.db2.gz YLDISDJCMKKGMG-KGLIPLIRSA-N 0 0 303.427 3.362 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3F)C2)C1 ZINC000624105367 401626588 /nfs/dbraw/zinc/62/65/88/401626588.db2.gz METBFQBZGXZBPC-CABCVRRESA-N 0 0 317.408 3.012 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2ccnc(C(F)(F)F)c2)C1 ZINC000624148857 401632238 /nfs/dbraw/zinc/63/22/38/401632238.db2.gz PTTKFMLLXOGSPH-LLVKDONJSA-N 0 0 313.323 3.208 10 30 DGEERN 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316.426 3.158 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCOc2ccc(OC)cc2)C1 ZINC000628482261 401605691 /nfs/dbraw/zinc/60/56/91/401605691.db2.gz JJYOQVTYCZXHOK-HNNXBMFYSA-N 0 0 303.402 3.279 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000628482822 401605832 /nfs/dbraw/zinc/60/58/32/401605832.db2.gz ZDPATTKMMPULRL-CYBMUJFWSA-N 0 0 308.219 3.416 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000628486213 401606654 /nfs/dbraw/zinc/60/66/54/401606654.db2.gz DEVVMLOVHAFDGS-HUUCEWRRSA-N 0 0 301.386 3.081 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000628486410 401606917 /nfs/dbraw/zinc/60/69/17/401606917.db2.gz HVUKHIVGYGMITB-LBPRGKRZSA-N 0 0 308.219 3.416 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2csc(-c3ncccc3F)n2)C1 ZINC000628490073 401607178 /nfs/dbraw/zinc/60/71/78/401607178.db2.gz OZVQVPHMBVALBW-NSHDSACASA-N 0 0 317.389 3.382 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000628490080 401607235 /nfs/dbraw/zinc/60/72/35/401607235.db2.gz 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/nfs/dbraw/zinc/60/77/86/401607786.db2.gz GDWZUVZTSXFBQV-GFCCVEGCSA-N 0 0 305.805 3.242 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)C1 ZINC000628491998 401607797 /nfs/dbraw/zinc/60/77/97/401607797.db2.gz MDNPYYLIENIQQF-HZPDHXFCSA-N 0 0 313.445 3.356 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2oc(COC(C)(C)C)nc2C)C1 ZINC000628492708 401607804 /nfs/dbraw/zinc/60/78/04/401607804.db2.gz ACHNHRFTZHKMIK-ZDUSSCGKSA-N 0 0 306.406 3.336 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)C1 ZINC000628491999 401607837 /nfs/dbraw/zinc/60/78/37/401607837.db2.gz MDNPYYLIENIQQF-JKSUJKDBSA-N 0 0 313.445 3.356 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@H](C)Cc2cnc3ccccc3n2)C1 ZINC000628493166 401607867 /nfs/dbraw/zinc/60/78/67/401607867.db2.gz KOSXPGYMBUFEKL-CABCVRRESA-N 0 0 309.413 3.233 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]2OCCc3sccc32)C1 ZINC000628491874 401607873 /nfs/dbraw/zinc/60/78/73/401607873.db2.gz JLLMIFUZOBMKEB-ZENOOKHLSA-N 0 0 305.443 3.423 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2C)C1 ZINC000628492012 401607874 /nfs/dbraw/zinc/60/78/74/401607874.db2.gz MHQWQOLYSHJEFC-AWEZNQCLSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(C)n([C@@H]3CCOC3)c2C)C1 ZINC000628494501 401608109 /nfs/dbraw/zinc/60/81/09/401608109.db2.gz QOLINNKAQCZTPP-HZPDHXFCSA-N 0 0 302.418 3.105 10 30 DGEERN C=CCN(C)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000632570839 401614972 /nfs/dbraw/zinc/61/49/72/401614972.db2.gz ZVUVQPOGYFLETO-UKRRQHHQSA-N 0 0 308.219 3.371 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCCc2cn(C)c3ccccc23)C1 ZINC000624371483 401656424 /nfs/dbraw/zinc/65/64/24/401656424.db2.gz PAIGJWRUHRPXHP-OAHLLOKOSA-N 0 0 311.429 3.328 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1csc(C)c1C ZINC000633208279 401660663 /nfs/dbraw/zinc/66/06/63/401660663.db2.gz YDRLRYGWSXDNCK-HIFRSBDPSA-N 0 0 308.447 3.145 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000624459515 401662370 /nfs/dbraw/zinc/66/23/70/401662370.db2.gz FJFQVHOYHJPLLU-XHDPSFHLSA-N 0 0 304.381 3.043 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000624464472 401662722 /nfs/dbraw/zinc/66/27/22/401662722.db2.gz ANUZQLNHDNKGNF-INIZCTEOSA-N 0 0 318.417 3.077 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000624468294 401663027 /nfs/dbraw/zinc/66/30/27/401663027.db2.gz HQPUZJAGALYZSW-LBPRGKRZSA-N 0 0 322.371 3.342 10 30 DGEERN C=C(C)CCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633307632 401671246 /nfs/dbraw/zinc/67/12/46/401671246.db2.gz SKLPLXAHPJBONC-QLFBSQMISA-N 0 0 320.230 3.417 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000633335713 401673554 /nfs/dbraw/zinc/67/35/54/401673554.db2.gz GAQXFKUFGFUPRW-INIZCTEOSA-N 0 0 308.466 3.483 10 30 DGEERN C=C(CC)CNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633359998 401676148 /nfs/dbraw/zinc/67/61/48/401676148.db2.gz BVVDDOSBXMREPG-UHFFFAOYSA-N 0 0 306.353 3.263 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1cc2cccc(Cl)c2nc1C ZINC000633362104 401676393 /nfs/dbraw/zinc/67/63/93/401676393.db2.gz SKNRDWUQIQRDGT-ZDUSSCGKSA-N 0 0 318.804 3.254 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(COC)c(OC)c1 ZINC000629270585 401676948 /nfs/dbraw/zinc/67/69/48/401676948.db2.gz IDKWGCLBQPLGGH-AWEZNQCLSA-N 0 0 320.433 3.067 10 30 DGEERN C=CCN(CC=C)C(=O)COc1ccc(C2CCOCC2)cc1 ZINC000629390044 401683584 /nfs/dbraw/zinc/68/35/84/401683584.db2.gz HKVJHGYTNKFXHS-UHFFFAOYSA-N 0 0 315.413 3.160 10 30 DGEERN C=CCN(C)C(=O)NCc1ccc(Br)c(F)c1F ZINC000624707159 401684332 /nfs/dbraw/zinc/68/43/32/401684332.db2.gz LDTIQDSICNURER-UHFFFAOYSA-N 0 0 319.149 3.055 10 30 DGEERN C=CCn1cc(-c2nc(-c3ccccc3OC3CCC3)no2)nn1 ZINC000624710849 401684555 /nfs/dbraw/zinc/68/45/55/401684555.db2.gz IGROVMTXPKOKML-UHFFFAOYSA-N 0 0 323.356 3.112 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000629427844 401685334 /nfs/dbraw/zinc/68/53/34/401685334.db2.gz XSKNOYLCDIJXTQ-VIFPVBQESA-N 0 0 307.337 3.364 10 30 DGEERN C=CC(C)(C)CCN1C(=O)[C@@H](c2cccc(OC)c2)N(C)C1=O ZINC000629478912 401687195 /nfs/dbraw/zinc/68/71/95/401687195.db2.gz RDGMPZFNCGWBAA-OAHLLOKOSA-N 0 0 316.401 3.233 10 30 DGEERN CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000049078314 164555064 /nfs/dbraw/zinc/55/50/64/164555064.db2.gz AGOWAGZZIZZULM-AWEZNQCLSA-N 0 0 312.822 3.021 10 30 DGEERN COc1ccc(C#N)cc1COc1ccc(OC)c(C(C)=O)c1 ZINC000180709567 164893227 /nfs/dbraw/zinc/89/32/27/164893227.db2.gz MYZZJZNWOBLLGI-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)c1sccc1COC ZINC000180941260 164899611 /nfs/dbraw/zinc/89/96/11/164899611.db2.gz RTUMEAVPKGFVAL-UHFFFAOYSA-N 0 0 316.382 3.417 10 30 DGEERN CCN(C(=O)c1sccc1COC)c1ccc(C#N)cc1 ZINC000183043655 164945884 /nfs/dbraw/zinc/94/58/84/164945884.db2.gz NWQXBLWNRITEFH-UHFFFAOYSA-N 0 0 300.383 3.433 10 30 DGEERN N#Cc1cccnc1-n1cc(NC2CC(c3ccccc3)C2)cn1 ZINC000184426164 164977472 /nfs/dbraw/zinc/97/74/72/164977472.db2.gz YLJYGUPCJHWQMG-UHFFFAOYSA-N 0 0 315.380 3.497 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2ccc(Cl)cc2)cn1 ZINC000185837414 165017371 /nfs/dbraw/zinc/01/73/71/165017371.db2.gz GQMXZXKLWXYUAA-UHFFFAOYSA-N 0 0 309.760 3.404 10 30 DGEERN CCOc1cccc(CNc2cnn(-c3ncccc3C#N)c2)c1 ZINC000185847642 165018736 /nfs/dbraw/zinc/01/87/36/165018736.db2.gz KLHQCOUPLCPSCZ-UHFFFAOYSA-N 0 0 319.368 3.150 10 30 DGEERN N#Cc1csc(C(=O)NCc2nc3ccccc3n2C2CC2)c1 ZINC000186022845 165025628 /nfs/dbraw/zinc/02/56/28/165025628.db2.gz JMADQZBYKKLOOE-UHFFFAOYSA-N 0 0 322.393 3.234 10 30 DGEERN CO[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000187612091 165097797 /nfs/dbraw/zinc/09/77/97/165097797.db2.gz GKJXYZKTJMUVBK-SFHVURJKSA-N 0 0 320.392 3.094 10 30 DGEERN CCSCC[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187711625 165102250 /nfs/dbraw/zinc/10/22/50/165102250.db2.gz SMYLXTLIWWAKLX-ZDUSSCGKSA-N 0 0 302.443 3.238 10 30 DGEERN Cc1cc(C)c2c(c1)CN(Cc1cnc3ccc(C#N)cn13)CC2 ZINC000188663340 165131909 /nfs/dbraw/zinc/13/19/09/165131909.db2.gz XBUOYGYNXPAIMU-UHFFFAOYSA-N 0 0 316.408 3.381 10 30 DGEERN C[C@H](c1cccc(C#N)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000190039137 165187398 /nfs/dbraw/zinc/18/73/98/165187398.db2.gz HPSZIUZJSAQEPH-CQSZACIVSA-N 0 0 321.428 3.042 10 30 DGEERN CCc1nc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)cs1 ZINC000190762802 165215604 /nfs/dbraw/zinc/21/56/04/165215604.db2.gz TZNFGBCFEXVAQN-FQEVSTJZSA-N 0 0 308.403 3.165 10 30 DGEERN Cc1nc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)sc1C ZINC000190822005 165217360 /nfs/dbraw/zinc/21/73/60/165217360.db2.gz HRNWWLJUBZZBSZ-FQEVSTJZSA-N 0 0 308.403 3.220 10 30 DGEERN C=Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000192211355 165286517 /nfs/dbraw/zinc/28/65/17/165286517.db2.gz KPKWAACXYPGTAS-UHFFFAOYSA-N 0 0 315.336 3.034 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)ccn1 ZINC000192695344 165301512 /nfs/dbraw/zinc/30/15/12/165301512.db2.gz UCBGYZCVUKDHEB-UHFFFAOYSA-N 0 0 322.349 3.035 10 30 DGEERN CC[C@H](NC(=O)c1ccnc(C#N)c1)c1cc(F)ccc1F ZINC000193330237 165322680 /nfs/dbraw/zinc/32/26/80/165322680.db2.gz BSHUNXXWNREIPD-HNNXBMFYSA-N 0 0 301.296 3.113 10 30 DGEERN CCOc1cc(Cl)ccc1NC(=O)c1ccnc(C#N)c1 ZINC000193526344 165327215 /nfs/dbraw/zinc/32/72/15/165327215.db2.gz PHYJFJZDGXBNPJ-UHFFFAOYSA-N 0 0 301.733 3.258 10 30 DGEERN N#Cc1cc(N2CCC(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000193569231 165328379 /nfs/dbraw/zinc/32/83/79/165328379.db2.gz NZQJIFCBAQMLGR-UHFFFAOYSA-N 0 0 322.368 3.321 10 30 DGEERN CC1(C)CCCC[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000194491636 165347094 /nfs/dbraw/zinc/34/70/94/165347094.db2.gz CLMJLXKZHBEPGB-HNNXBMFYSA-N 0 0 323.400 3.294 10 30 DGEERN CCOCc1cccc(NCc2cnc3ccc(C#N)cn23)c1 ZINC000128945823 196006250 /nfs/dbraw/zinc/00/62/50/196006250.db2.gz WSEPHOMMZFFQFK-UHFFFAOYSA-N 0 0 306.369 3.355 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000129080825 196017237 /nfs/dbraw/zinc/01/72/37/196017237.db2.gz JIYXFGUVYNXLGO-DLBZAZTESA-N 0 0 310.397 3.231 10 30 DGEERN N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000129294604 196036595 /nfs/dbraw/zinc/03/65/95/196036595.db2.gz LNJBCNIZQSNVOI-WMLDXEAASA-N 0 0 300.308 3.149 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccccc1F ZINC000129339897 196040912 /nfs/dbraw/zinc/04/09/12/196040912.db2.gz LRCDMVWUXHSBDA-UHFFFAOYSA-N 0 0 322.343 3.343 10 30 DGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000190622632 432177289 /nfs/dbraw/zinc/17/72/89/432177289.db2.gz GREBYOHETCFYKJ-SFHVURJKSA-N 0 0 320.392 3.439 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246883636 432176057 /nfs/dbraw/zinc/17/60/57/432176057.db2.gz RDVZXQZSIKBEMJ-GVDBMIGSSA-N 0 0 310.397 3.137 10 30 DGEERN N#Cc1ccc(C[S@@](=O)Cc2noc3c2CCCC3)cc1F ZINC000190794995 432190811 /nfs/dbraw/zinc/19/08/11/432190811.db2.gz DEKFNADANWIUJW-JOCHJYFZSA-N 0 0 318.373 3.013 10 30 DGEERN CCC(=O)Nc1ccc(NCc2cnc3ccc(C#N)cn23)cc1 ZINC000172340201 432209349 /nfs/dbraw/zinc/20/93/49/432209349.db2.gz PZHXURDRWDLNBB-UHFFFAOYSA-N 0 0 319.368 3.167 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1O ZINC000190992030 432209447 /nfs/dbraw/zinc/20/94/47/432209447.db2.gz RPMRACWGGOMHHY-OAHLLOKOSA-N 0 0 312.756 3.335 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)Cc1cnc2ccccc2c1 ZINC000131342164 196161293 /nfs/dbraw/zinc/16/12/93/196161293.db2.gz XZVCKZCLFSIMCP-UHFFFAOYSA-N 0 0 315.376 3.308 10 30 DGEERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1cc(C#N)ccc1Br ZINC000191135431 432224862 /nfs/dbraw/zinc/22/48/62/432224862.db2.gz WYCGPFCRPFDNBP-GHMZBOCLSA-N 0 0 323.234 3.054 10 30 DGEERN N#Cc1ccc(Cl)cc1NC(=O)CSC1CCOCC1 ZINC000131484585 196173064 /nfs/dbraw/zinc/17/30/64/196173064.db2.gz LZKKEDSREDBLLJ-UHFFFAOYSA-N 0 0 310.806 3.062 10 30 DGEERN N#CCCN(CCOC(=O)COc1ccccc1)c1ccccc1 ZINC000038635213 226798049 /nfs/dbraw/zinc/79/80/49/226798049.db2.gz IUUVJKBIGNPNMT-UHFFFAOYSA-N 0 0 324.380 3.029 10 30 DGEERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000108834633 226913936 /nfs/dbraw/zinc/91/39/36/226913936.db2.gz ULKIQVXXVIYRBG-ISVAXAHUSA-N 0 0 313.184 3.179 10 30 DGEERN N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C1CC1 ZINC000108840198 226914062 /nfs/dbraw/zinc/91/40/62/226914062.db2.gz NEFICIUXOQAKBP-INIZCTEOSA-N 0 0 312.344 3.437 10 30 DGEERN C[C@H]1CCC[C@](C#N)(NC(=O)c2coc(Br)c2)C1 ZINC000116813596 226938897 /nfs/dbraw/zinc/93/88/97/226938897.db2.gz KJDDXLSICYLBAM-ZANVPECISA-N 0 0 311.179 3.244 10 30 DGEERN N#CCCCOc1cccc(NC(=O)c2cnn3c2CCCC3)c1 ZINC000126334110 226999918 /nfs/dbraw/zinc/99/99/18/226999918.db2.gz AZNDZGHNUJVOAA-UHFFFAOYSA-N 0 0 324.384 3.154 10 30 DGEERN COc1c(F)cc(NC(=O)c2ccc(C#N)cc2C)cc1F ZINC000162330018 228256989 /nfs/dbraw/zinc/25/69/89/228256989.db2.gz KLXWKACNDOAINH-UHFFFAOYSA-N 0 0 302.280 3.406 10 30 DGEERN Cc1c(C(=O)NCCCCC#N)cnn1-c1ccccc1Cl ZINC000171942599 228273675 /nfs/dbraw/zinc/27/36/75/228273675.db2.gz GDNWDIXSJBAICB-UHFFFAOYSA-N 0 0 316.792 3.258 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000176601161 228316484 /nfs/dbraw/zinc/31/64/84/228316484.db2.gz YDRVBTDFONUDHQ-UHFFFAOYSA-N 0 0 301.349 3.401 10 30 DGEERN Cc1sc(C(=O)N[C@H](C#N)C2CCCCC2)cc1[N+](=O)[O-] ZINC000176620381 228316715 /nfs/dbraw/zinc/31/67/15/228316715.db2.gz WRZQNUXETKADJN-LLVKDONJSA-N 0 0 307.375 3.167 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000178381126 228340823 /nfs/dbraw/zinc/34/08/23/228340823.db2.gz NVIZTKMLVYOAMY-ZDUSSCGKSA-N 0 0 305.337 3.144 10 30 DGEERN Cc1ccc(Cn2nccc2NC(=O)c2ccc(C#N)cc2C)o1 ZINC000178698288 228345390 /nfs/dbraw/zinc/34/53/90/228345390.db2.gz ZFBBLDJBBVYNHU-UHFFFAOYSA-N 0 0 320.352 3.265 10 30 DGEERN C[C@@H](C#N)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000182174494 228366661 /nfs/dbraw/zinc/36/66/61/228366661.db2.gz QUPHOEBWMVMVMM-JTQLQIEISA-N 0 0 309.772 3.042 10 30 DGEERN N#CC1(C(=O)Nc2ncn(C3CCCCC3)n2)CCCCC1 ZINC000182665389 228369943 /nfs/dbraw/zinc/36/99/43/228369943.db2.gz CWVOBJLLMHNXJJ-UHFFFAOYSA-N 0 0 301.394 3.196 10 30 DGEERN COCc1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182860161 228370635 /nfs/dbraw/zinc/37/06/35/228370635.db2.gz YZSSHVRJQAKBKH-UHFFFAOYSA-N 0 0 320.392 3.318 10 30 DGEERN N#CC1(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCCC1 ZINC000184744634 228385661 /nfs/dbraw/zinc/38/56/61/228385661.db2.gz HCQMRACICRDUCV-WDEREUQCSA-N 0 0 308.303 3.160 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCc3ccccc3F)CC2)cc1 ZINC000187238893 228426743 /nfs/dbraw/zinc/42/67/43/228426743.db2.gz WQHCWVYEORPAPG-UHFFFAOYSA-N 0 0 308.356 3.088 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N(CCC#N)CC(F)(F)F ZINC000188901964 228471696 /nfs/dbraw/zinc/47/16/96/228471696.db2.gz BVCUHGXNEPIUEY-UHFFFAOYSA-N 0 0 317.311 3.100 10 30 DGEERN N#CC1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000189148803 228477354 /nfs/dbraw/zinc/47/73/54/228477354.db2.gz FRVHLIXNHIRXCS-UHFFFAOYSA-N 0 0 322.330 3.499 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000274932047 228701810 /nfs/dbraw/zinc/70/18/10/228701810.db2.gz OQKBOKYOFGBGMO-GFCCVEGCSA-N 0 0 301.394 3.012 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328648748 228905471 /nfs/dbraw/zinc/90/54/71/228905471.db2.gz IMYMZOQUNULHCS-GWCFXTLKSA-N 0 0 307.394 3.468 10 30 DGEERN Cc1ccc(CNC(=O)N2CCO[C@H](C3CCCCC3)C2)cn1 ZINC000329658248 228953606 /nfs/dbraw/zinc/95/36/06/228953606.db2.gz HDSPFVKZLBMPCM-KRWDZBQOSA-N 0 0 317.433 3.085 10 30 DGEERN O=C(NCc1ccc(C2CC2)cc1)N[C@@H]1CCC[C@H]1CCO ZINC000330052564 228974191 /nfs/dbraw/zinc/97/41/91/228974191.db2.gz PFVFDYSLABNYFN-DLBZAZTESA-N 0 0 302.418 3.119 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000330151403 228978520 /nfs/dbraw/zinc/97/85/20/228978520.db2.gz WEKVTGXECJRJLC-BLLLJJGKSA-N 0 0 304.390 3.050 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCc1nc([C@H](C)C2CC2)no1 ZINC000357601917 229350731 /nfs/dbraw/zinc/35/07/31/229350731.db2.gz DRVXURUWPAAAJW-LLVKDONJSA-N 0 0 313.405 3.095 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000408004512 229621611 /nfs/dbraw/zinc/62/16/11/229621611.db2.gz MIMYDBFMUAGAOH-RGYTYGDFSA-N 0 0 318.804 3.232 10 30 DGEERN C[C@@H]1[C@@H](Nc2ccc(C#N)nc2)CCCN1C(=O)OC(C)(C)C ZINC000302436480 230244538 /nfs/dbraw/zinc/24/45/38/230244538.db2.gz PRJHTYYTXWOVNF-DOMZBBRYSA-N 0 0 316.405 3.153 10 30 DGEERN Cc1ccc(NCc2ccc(N3CCCCC3=O)cc2)nc1C#N ZINC000302605126 230314501 /nfs/dbraw/zinc/31/45/01/230314501.db2.gz CYGJMEYHOMGQCS-UHFFFAOYSA-N 0 0 320.396 3.391 10 30 DGEERN Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)nc1C#N ZINC000302608267 230318349 /nfs/dbraw/zinc/31/83/49/230318349.db2.gz DNLUGWXRLOPGNW-OAHLLOKOSA-N 0 0 307.353 3.332 10 30 DGEERN Cc1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)nc1C#N ZINC000302688968 230352956 /nfs/dbraw/zinc/35/29/56/230352956.db2.gz YWDJKGMOPQWSSJ-HNNXBMFYSA-N 0 0 310.376 3.482 10 30 DGEERN C=C(C)CN(CC)C(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000135345978 265559529 /nfs/dbraw/zinc/55/95/29/265559529.db2.gz POCSLCUBPKOKAC-UHFFFAOYSA-N 0 0 318.442 3.225 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000626330306 424812834 /nfs/dbraw/zinc/81/28/34/424812834.db2.gz VFQYZLMXRRPFCU-UHFFFAOYSA-N 0 0 313.405 3.050 10 30 DGEERN CC[C@@H](C)[C@@H](CNc1ncc(Br)cc1C#N)OC ZINC000362977171 266365297 /nfs/dbraw/zinc/36/52/97/266365297.db2.gz PFFIYWQGEWECOV-BXKDBHETSA-N 0 0 312.211 3.189 10 30 DGEERN N#Cc1cccc(CNC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000172748566 432234026 /nfs/dbraw/zinc/23/40/26/432234026.db2.gz LJKXWNCXNOENKY-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2cc(CC)on2)cc1OC ZINC000606892501 425071387 /nfs/dbraw/zinc/07/13/87/425071387.db2.gz XZUNCDSXWUAFIC-UHFFFAOYSA-N 0 0 302.330 3.063 10 30 DGEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000530931808 267180349 /nfs/dbraw/zinc/18/03/49/267180349.db2.gz YOTONRXQZUDNLP-JKSUJKDBSA-N 0 0 302.443 3.281 10 30 DGEERN CN(C)c1ccc(Cl)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000530668529 267292733 /nfs/dbraw/zinc/29/27/33/267292733.db2.gz ACXUBSBQERTDSE-UHFFFAOYSA-N 0 0 313.788 3.459 10 30 DGEERN N#Cc1ccc(NC(=O)c2ncsc2Br)cc1 ZINC000360919011 268152120 /nfs/dbraw/zinc/15/21/20/268152120.db2.gz NUHHLUSKPIVICG-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN N#Cc1ccnc(NC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000357416473 268297311 /nfs/dbraw/zinc/29/73/11/268297311.db2.gz RFVWVYMFXCAEAC-UHFFFAOYSA-N 0 0 314.348 3.242 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000378136535 268301458 /nfs/dbraw/zinc/30/14/58/268301458.db2.gz UHQVAMCQQWUJOB-UHFFFAOYSA-N 0 0 324.405 3.281 10 30 DGEERN C=CCn1c(SC[C@@H](O)C2CCCCC2)nnc1C1CC1 ZINC000191251862 432241358 /nfs/dbraw/zinc/24/13/58/432241358.db2.gz NFOJGASTOYNPMA-CQSZACIVSA-N 0 0 307.463 3.375 10 30 DGEERN C=C[C@H](CC(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000270420786 432244010 /nfs/dbraw/zinc/24/40/10/432244010.db2.gz ZYWBSTWLDMBPAI-MJGOQNOKSA-N 0 0 309.409 3.066 10 30 DGEERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000530908959 269597278 /nfs/dbraw/zinc/59/72/78/269597278.db2.gz BVNIMRYTDALPHB-FUHWJXTLSA-N 0 0 314.429 3.058 10 30 DGEERN CC(C)Oc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531386248 269624574 /nfs/dbraw/zinc/62/45/74/269624574.db2.gz WANNXMSAIRVSDO-UHFFFAOYSA-N 0 0 308.381 3.204 10 30 DGEERN C=CCNC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC ZINC000444888593 273486257 /nfs/dbraw/zinc/48/62/57/273486257.db2.gz KQPJKAWNZSAROX-LBPRGKRZSA-N 0 0 323.234 3.481 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000270538968 432257247 /nfs/dbraw/zinc/25/72/47/432257247.db2.gz QOMOLLOGPJBCOM-HNNXBMFYSA-N 0 0 318.417 3.116 10 30 DGEERN Cc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3)n2)c(C)o1 ZINC000034909399 274681910 /nfs/dbraw/zinc/68/19/10/274681910.db2.gz VWWQVOYJSLKJJB-UHFFFAOYSA-N 0 0 306.325 3.206 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000448865336 274886191 /nfs/dbraw/zinc/88/61/91/274886191.db2.gz NOEPRYKXEXOHHF-UHFFFAOYSA-N 0 0 309.344 3.118 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)CCCC1 ZINC000410627730 275422201 /nfs/dbraw/zinc/42/22/01/275422201.db2.gz VLMYKNPEFLMZSV-HNNXBMFYSA-N 0 0 312.413 3.129 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000371666254 276096683 /nfs/dbraw/zinc/09/66/83/276096683.db2.gz SPFCWOJNRQYXES-PXNSSMCTSA-N 0 0 308.425 3.433 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccn(C2CCSCC2)n1 ZINC000633862341 429996204 /nfs/dbraw/zinc/99/62/04/429996204.db2.gz VKHSIEQMAFZEPX-INIZCTEOSA-N 0 0 323.462 3.119 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000345700106 276874848 /nfs/dbraw/zinc/87/48/48/276874848.db2.gz WGXJIDSWWDEWPP-TZMCWYRMSA-N 0 0 313.319 3.303 10 30 DGEERN Cc1cc(NC(=O)Cc2cccc(C#N)c2)nn1-c1ccccc1 ZINC000537887402 430173018 /nfs/dbraw/zinc/17/30/18/430173018.db2.gz FTDRSOMUFIIJGH-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN CC(C)(C)c1ccc(C(=O)NC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000096995267 277266863 /nfs/dbraw/zinc/26/68/63/277266863.db2.gz DGZKLHZQUPESCB-UHFFFAOYSA-N 0 0 315.373 3.458 10 30 DGEERN CO[C@H]1CN(c2c(C#N)cnc3c(C)cc(F)cc32)CC[C@@H]1C ZINC000302568955 277344085 /nfs/dbraw/zinc/34/40/85/277344085.db2.gz PVUFOWJASQJXST-ZBEGNZNMSA-N 0 0 313.376 3.415 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000368761504 277782995 /nfs/dbraw/zinc/78/29/95/277782995.db2.gz KZZITHPDYSXNGV-HRCADAONSA-N 0 0 320.477 3.084 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC000368766912 277783053 /nfs/dbraw/zinc/78/30/53/277783053.db2.gz VKDODDFUMBCLHT-KBPBESRZSA-N 0 0 300.402 3.234 10 30 DGEERN C=C(C)Cn1c(N2CCCCCC2)nnc1[C@]1(C)CCCO1 ZINC000453462596 277785702 /nfs/dbraw/zinc/78/57/02/277785702.db2.gz IHHJOXBQVTVGCU-KRWDZBQOSA-N 0 0 304.438 3.260 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000438073981 277797486 /nfs/dbraw/zinc/79/74/86/277797486.db2.gz LXIGXGSYJXUVKJ-LNLFQRSKSA-N 0 0 318.461 3.500 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000489824442 277829773 /nfs/dbraw/zinc/82/97/73/277829773.db2.gz FGBKEPZQDOVBEZ-NSHDSACASA-N 0 0 313.385 3.193 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373764546 277830579 /nfs/dbraw/zinc/83/05/79/277830579.db2.gz DNSCSZXAYJSBIC-DFGXFYAUSA-N 0 0 324.465 3.099 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(CC)on1 ZINC000610098027 430563830 /nfs/dbraw/zinc/56/38/30/430563830.db2.gz ZBDRVFKOOMMAAN-UHFFFAOYSA-N 0 0 310.357 3.329 10 30 DGEERN N#Cc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)c(F)c1 ZINC000612443248 430571393 /nfs/dbraw/zinc/57/13/93/430571393.db2.gz ODHXHEJDGISPOV-UHFFFAOYSA-N 0 0 323.287 3.161 10 30 DGEERN CCOC(=O)c1sc(NCC2CCC(C#N)CC2)nc1C ZINC000619651743 430597067 /nfs/dbraw/zinc/59/70/67/430597067.db2.gz ZAYIHPGMIISIKF-UHFFFAOYSA-N 0 0 307.419 3.370 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2ccc(N3CCC3)nc2)CCCC1(C)C ZINC000451426650 277883909 /nfs/dbraw/zinc/88/39/09/277883909.db2.gz BRBPCDLBWLPCJH-INIZCTEOSA-N 0 0 313.445 3.499 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC(c3ccco3)CC2)s1 ZINC000622136428 430609041 /nfs/dbraw/zinc/60/90/41/430609041.db2.gz BSAIHZNNZXHMEC-UHFFFAOYSA-N 0 0 317.414 3.354 10 30 DGEERN CC1(C)C[C@@H]([NH+]=C([O-])N2CCc3cncnc3C2)c2ccccc21 ZINC000330343375 278359479 /nfs/dbraw/zinc/35/94/79/278359479.db2.gz BYAQPTHGFHKMCG-MRXNPFEDSA-N 0 0 322.412 3.171 10 30 DGEERN C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1O ZINC000408089706 278556426 /nfs/dbraw/zinc/55/64/26/278556426.db2.gz OVXWAHUDAMRFSX-NOZJJQNGSA-N 0 0 319.767 3.106 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 ZINC000041423900 278857673 /nfs/dbraw/zinc/85/76/73/278857673.db2.gz MTICJWPBBSRENT-RDTXWAMCSA-N 0 0 306.365 3.160 10 30 DGEERN CSc1nc(-c2cc(Cl)nc(Cl)c2)nc(N)c1C#N ZINC000000163218 431137023 /nfs/dbraw/zinc/13/70/23/431137023.db2.gz AKAJLMYSQAAWHE-UHFFFAOYSA-N 0 0 312.185 3.021 10 30 DGEERN N#CC1(C(=O)N2CCC[C@H](c3nccs3)C2)CCCCC1 ZINC000109053088 431167496 /nfs/dbraw/zinc/16/74/96/431167496.db2.gz LEARCSHZBCEBMU-ZDUSSCGKSA-N 0 0 303.431 3.323 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OCC#N)cc2)o1 ZINC000069276997 431173863 /nfs/dbraw/zinc/17/38/63/431173863.db2.gz KNVGQGXIMRPRFZ-CYBMUJFWSA-N 0 0 313.357 3.051 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2cc(CCC)[nH]n2)cc1OC ZINC000109913019 431180813 /nfs/dbraw/zinc/18/08/13/431180813.db2.gz ADRKHAGRVVNEKT-UHFFFAOYSA-N 0 0 315.373 3.188 10 30 DGEERN C=CC1CCN(C(=O)COc2ccc(C(=O)CC)cc2)CC1 ZINC000110363449 431190713 /nfs/dbraw/zinc/19/07/13/431190713.db2.gz VFXBWNOFNBAVHQ-UHFFFAOYSA-N 0 0 301.386 3.083 10 30 DGEERN C[C@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)s1 ZINC000068878007 431147821 /nfs/dbraw/zinc/14/78/21/431147821.db2.gz RAQWGBAUCNGSLF-VIFPVBQESA-N 0 0 306.840 3.076 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115040557 431423859 /nfs/dbraw/zinc/42/38/59/431423859.db2.gz JTQGOXWZMGBHLB-AWEZNQCLSA-N 0 0 313.319 3.267 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114686152 431404121 /nfs/dbraw/zinc/40/41/21/431404121.db2.gz WOCXOSNLEISDQK-DYVFJYSZSA-N 0 0 306.365 3.275 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2nc(COC)cs2)cc1 ZINC000115246436 431442492 /nfs/dbraw/zinc/44/24/92/431442492.db2.gz YHNXEROHKRQSGV-UHFFFAOYSA-N 0 0 304.371 3.107 10 30 DGEERN CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(C#N)n1C ZINC000451785061 288168778 /nfs/dbraw/zinc/16/87/78/288168778.db2.gz OPIHWLORNMEJJQ-OAHLLOKOSA-N 0 0 311.385 3.129 10 30 DGEERN CCN(C(=O)NCc1cccc(C#N)c1)[C@@H](C)c1cccnc1 ZINC000115661017 431469560 /nfs/dbraw/zinc/46/95/60/431469560.db2.gz SBIGKTWHAHHVGZ-AWEZNQCLSA-N 0 0 308.385 3.246 10 30 DGEERN CCSCC[C@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000075380393 431474099 /nfs/dbraw/zinc/47/40/99/431474099.db2.gz OAMVTVJGROLWQS-KBPBESRZSA-N 0 0 320.458 3.316 10 30 DGEERN COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000009437946 431434083 /nfs/dbraw/zinc/43/40/83/431434083.db2.gz AKVIOLIKJOVISV-KBPBESRZSA-N 0 0 324.380 3.212 10 30 DGEERN C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)c2ccccc21 ZINC000074736809 431437279 /nfs/dbraw/zinc/43/72/79/431437279.db2.gz HMJSDXWWBRNVDH-AWEZNQCLSA-N 0 0 321.380 3.270 10 30 DGEERN C=CC[C@H](C)NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000116857504 431531492 /nfs/dbraw/zinc/53/14/92/431531492.db2.gz LUFRFCUGPNNGTO-NSHDSACASA-N 0 0 304.777 3.348 10 30 DGEERN CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000075680688 431493076 /nfs/dbraw/zinc/49/30/76/431493076.db2.gz PRCMOJQWPBDZKN-MAUKXSAKSA-N 0 0 322.408 3.463 10 30 DGEERN CN(C(=O)CN1CCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000116298988 431505037 /nfs/dbraw/zinc/50/50/37/431505037.db2.gz WIAAGYCCXADOSK-OAHLLOKOSA-N 0 0 315.417 3.101 10 30 DGEERN C=CCCCN(C)C(=O)c1cn(CCOC)c2ccccc12 ZINC000076650174 431557348 /nfs/dbraw/zinc/55/73/48/431557348.db2.gz WWSBEQDHCTWKIA-UHFFFAOYSA-N 0 0 300.402 3.326 10 30 DGEERN CCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCCOC(C)=O ZINC000013835246 431570635 /nfs/dbraw/zinc/57/06/35/431570635.db2.gz OHFODISPAOYBLZ-PDYGGIGGSA-N 0 0 300.398 3.166 10 30 DGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000117776290 431575934 /nfs/dbraw/zinc/57/59/34/431575934.db2.gz LKGSICAXZBCPRB-DYVFJYSZSA-N 0 0 310.353 3.087 10 30 DGEERN N#CCCn1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000117713158 431576030 /nfs/dbraw/zinc/57/60/30/431576030.db2.gz SAEKGARFIRDAML-UHFFFAOYSA-N 0 0 314.732 3.449 10 30 DGEERN N#Cc1ccc(NCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000014315066 431590559 /nfs/dbraw/zinc/59/05/59/431590559.db2.gz BUGSKWAGRQHZAO-UHFFFAOYSA-N 0 0 319.324 3.264 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000078336067 431660591 /nfs/dbraw/zinc/66/05/91/431660591.db2.gz VBZNDJBBBJMTRG-ZIAGYGMSSA-N 0 0 301.365 3.029 10 30 DGEERN C=CCCCN(C)C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000078137644 431642253 /nfs/dbraw/zinc/64/22/53/431642253.db2.gz OQFZYZPRKLZZSJ-UHFFFAOYSA-N 0 0 321.442 3.365 10 30 DGEERN C=CCCC(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000078153596 431644792 /nfs/dbraw/zinc/64/47/92/431644792.db2.gz FPHTXBKRMCFQFN-GJZGRUSLSA-N 0 0 302.418 3.201 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(N(C)C)cc1F ZINC000119260016 431667980 /nfs/dbraw/zinc/66/79/80/431667980.db2.gz HOYBNSXLSLZFLW-UHFFFAOYSA-N 0 0 304.287 3.082 10 30 DGEERN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325277 431670879 /nfs/dbraw/zinc/67/08/79/431670879.db2.gz INXPZHHIYDCSNS-HZPDHXFCSA-N 0 0 321.424 3.256 10 30 DGEERN C=CCOCCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000122011209 431807987 /nfs/dbraw/zinc/80/79/87/431807987.db2.gz PRXPLSZHZOISEE-OAHLLOKOSA-N 0 0 303.402 3.388 10 30 DGEERN Cc1ccc(NC(=S)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000033319252 431812760 /nfs/dbraw/zinc/81/27/60/431812760.db2.gz MUNXJZAPUIPXOA-YBEGLDIGSA-N 0 0 314.370 3.224 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122132645 431813893 /nfs/dbraw/zinc/81/38/93/431813893.db2.gz ARQWXOLPBHXBOX-UHFFFAOYSA-N 0 0 302.252 3.094 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)c(Cl)c1 ZINC000081051222 431782558 /nfs/dbraw/zinc/78/25/58/431782558.db2.gz NZEDUGNWMDVHOK-VIFPVBQESA-N 0 0 305.740 3.180 10 30 DGEERN C/C=C/c1ccc(OCC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000122983836 431850337 /nfs/dbraw/zinc/85/03/37/431850337.db2.gz KPEBSKPVNVNGCA-DKFQHHCZSA-N 0 0 316.401 3.162 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000089226482 431862160 /nfs/dbraw/zinc/86/21/60/431862160.db2.gz PUQVFKIIAJSIQA-MRXNPFEDSA-N 0 0 313.397 3.448 10 30 DGEERN Cc1c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)sc2nccn12 ZINC000089565348 431870283 /nfs/dbraw/zinc/87/02/83/431870283.db2.gz BQOIRSJMGWXWPP-JTQLQIEISA-N 0 0 310.382 3.067 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1ccc(C#N)cc1C ZINC000122282866 431824372 /nfs/dbraw/zinc/82/43/72/431824372.db2.gz KAMQGZKPASZUBE-UHFFFAOYSA-N 0 0 306.365 3.362 10 30 DGEERN N#Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)o1 ZINC000122616552 431839445 /nfs/dbraw/zinc/83/94/45/431839445.db2.gz BQZDRZZUFJRQMG-AWEZNQCLSA-N 0 0 314.732 3.067 10 30 DGEERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ncccc1C#N ZINC000095086593 431921724 /nfs/dbraw/zinc/92/17/24/431921724.db2.gz XUBBVWOGRXUEIA-AWEZNQCLSA-N 0 0 317.389 3.122 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000123925676 431878476 /nfs/dbraw/zinc/87/84/76/431878476.db2.gz FFHAQKXYLPPJBX-KCJUWKMLSA-N 0 0 311.154 3.010 10 30 DGEERN N#CCOc1cccc(CC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000089810897 431880380 /nfs/dbraw/zinc/88/03/80/431880380.db2.gz YNCAVUYDGWHENJ-INIZCTEOSA-N 0 0 310.353 3.088 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000124093656 431882869 /nfs/dbraw/zinc/88/28/69/431882869.db2.gz KNVRISODVDFRNP-DOTOQJQBSA-N 0 0 314.429 3.438 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(OCCOC)nc1 ZINC000124544301 431897491 /nfs/dbraw/zinc/89/74/91/431897491.db2.gz GXXFHNOICITFEI-UHFFFAOYSA-N 0 0 314.385 3.284 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCc2ccccc21 ZINC000046890424 431902187 /nfs/dbraw/zinc/90/21/87/431902187.db2.gz MUWCFFVPNAJMQC-SFHVURJKSA-N 0 0 305.381 3.387 10 30 DGEERN C#Cc1cccc(NC(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000125509617 431928456 /nfs/dbraw/zinc/92/84/56/431928456.db2.gz PFBQBJBQEKSVDG-UHFFFAOYSA-N 0 0 303.325 3.097 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000125558810 431929286 /nfs/dbraw/zinc/92/92/86/431929286.db2.gz XPLROUQTHDMTAW-HNNXBMFYSA-N 0 0 304.434 3.481 10 30 DGEERN COc1ccc2nc(C(=O)Nc3sccc3C#N)ccc2c1 ZINC000125680093 431933619 /nfs/dbraw/zinc/93/36/19/431933619.db2.gz ADLMVYFNLPBPGC-UHFFFAOYSA-N 0 0 309.350 3.429 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000126307297 431947112 /nfs/dbraw/zinc/94/71/12/431947112.db2.gz CGJZSXZPDTWVJD-HNNXBMFYSA-N 0 0 301.346 3.106 10 30 DGEERN C=CCOc1ccc(-c2nnc(SCC(=O)C3CC3)o2)cc1 ZINC000126315059 431947400 /nfs/dbraw/zinc/94/74/00/431947400.db2.gz XRSIZEIUJBSVFA-UHFFFAOYSA-N 0 0 316.382 3.373 10 30 DGEERN N#Cc1cnc(Sc2nnc(-c3cc4ccccc4o3)o2)cn1 ZINC000126358019 431947840 /nfs/dbraw/zinc/94/78/40/431947840.db2.gz HMNSMHZSFRMGBX-UHFFFAOYSA-N 0 0 321.321 3.296 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000126379735 431948759 /nfs/dbraw/zinc/94/87/59/431948759.db2.gz PNCITPJYLAGLNE-LLVKDONJSA-N 0 0 312.373 3.038 10 30 DGEERN CN(CCc1ccc(F)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000056622233 431989125 /nfs/dbraw/zinc/98/91/25/431989125.db2.gz UVZBDOURNKKLAQ-UHFFFAOYSA-N 0 0 311.360 3.081 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183276791 432276478 /nfs/dbraw/zinc/27/64/78/432276478.db2.gz XWGJWUFFXSPDIH-INIZCTEOSA-N 0 0 309.373 3.349 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000248395843 432284240 /nfs/dbraw/zinc/28/42/40/432284240.db2.gz PACPZXLAWUESRI-DLBZAZTESA-N 0 0 316.445 3.095 10 30 DGEERN CCc1ccc([C@H]2CCCCN2S(=O)(=O)CCCCC#N)o1 ZINC000173717741 432296832 /nfs/dbraw/zinc/29/68/32/432296832.db2.gz NARDKHXMNDBQFU-OAHLLOKOSA-N 0 0 324.446 3.393 10 30 DGEERN Cc1ccccc1[C@@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173793288 432298935 /nfs/dbraw/zinc/29/89/35/432298935.db2.gz GTWQZUNZUDBRHH-OAHLLOKOSA-N 0 0 323.396 3.306 10 30 DGEERN CSCCC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000058499102 431996774 /nfs/dbraw/zinc/99/67/74/431996774.db2.gz LSCIFECCACMSLW-UHFFFAOYSA-N 0 0 316.348 3.202 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000173208160 432264665 /nfs/dbraw/zinc/26/46/65/432264665.db2.gz ZTOKGKVZUNIYGL-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCn1c(SCc2ccn(C)n2)nnc1-c1ccoc1C ZINC000271019913 432316149 /nfs/dbraw/zinc/31/61/49/432316149.db2.gz KCNAHNKWRYMFOM-UHFFFAOYSA-N 0 0 315.402 3.058 10 30 DGEERN Cc1scc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1C ZINC000183699383 432317635 /nfs/dbraw/zinc/31/76/35/432317635.db2.gz IIUZICIWXKLCHZ-UHFFFAOYSA-N 0 0 323.381 3.070 10 30 DGEERN Cc1c(F)cccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000174058317 432318643 /nfs/dbraw/zinc/31/86/43/432318643.db2.gz OOTWDZLROLQUHR-UHFFFAOYSA-N 0 0 324.764 3.460 10 30 DGEERN C=CCN(CCOC)C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000191969464 432320588 /nfs/dbraw/zinc/32/05/88/432320588.db2.gz TWBPVZMRUDYJEH-UHFFFAOYSA-N 0 0 300.402 3.070 10 30 DGEERN COCCN(CC#Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000191971240 432320703 /nfs/dbraw/zinc/32/07/03/432320703.db2.gz QORMFTOSRRTERD-UHFFFAOYSA-N 0 0 304.393 3.058 10 30 DGEERN C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000152275169 432321013 /nfs/dbraw/zinc/32/10/13/432321013.db2.gz AMTVKEIQBLIROV-CZUORRHYSA-N 0 0 316.376 3.198 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000174223720 432330123 /nfs/dbraw/zinc/33/01/23/432330123.db2.gz URKNMXNMWDQSQN-KGLIPLIRSA-N 0 0 322.424 3.298 10 30 DGEERN N#Cc1csc(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000183901202 432333121 /nfs/dbraw/zinc/33/31/21/432333121.db2.gz PTIVSCUZCGVOTJ-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN C[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000174313048 432336233 /nfs/dbraw/zinc/33/62/33/432336233.db2.gz ZKLDHVKJUDEUOL-GFCCVEGCSA-N 0 0 314.335 3.299 10 30 DGEERN C=CC[C@H](CO)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192208134 432345557 /nfs/dbraw/zinc/34/55/57/432345557.db2.gz OFVQKIMVYJYFCE-SNVBAGLBSA-N 0 0 304.615 3.129 10 30 DGEERN Cc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)c(F)c1 ZINC000174437197 432347550 /nfs/dbraw/zinc/34/75/50/432347550.db2.gz LUJCBRXKDHGYMB-UHFFFAOYSA-N 0 0 313.332 3.206 10 30 DGEERN COc1ccc(OCc2ccc(OC)c(C#N)c2)c(C(C)=O)c1 ZINC000152709698 432349380 /nfs/dbraw/zinc/34/93/80/432349380.db2.gz XILJDSYHXBFCAF-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN COc1cccc(F)c1[C@@H](C)NC(=O)c1sccc1C#N ZINC000174476526 432350125 /nfs/dbraw/zinc/35/01/25/432350125.db2.gz LDGUMSGVGIFAJJ-SECBINFHSA-N 0 0 304.346 3.258 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000248590809 432304950 /nfs/dbraw/zinc/30/49/50/432304950.db2.gz RRYSARMYNBXREU-SNUQEOBHSA-N 0 0 322.364 3.481 10 30 DGEERN C=C(C)[C@H](NC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248610901 432306959 /nfs/dbraw/zinc/30/69/59/432306959.db2.gz XEWPNNWCJFXATN-MKBNYLNASA-N 0 0 324.371 3.401 10 30 DGEERN CCOc1c(F)cccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000152179268 432311749 /nfs/dbraw/zinc/31/17/49/432311749.db2.gz KKQWBHTVRNVWPB-SJCJKPOMSA-N 0 0 304.365 3.427 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)CCC2CCCC2)cn1 ZINC000183653774 432312965 /nfs/dbraw/zinc/31/29/65/432312965.db2.gz VSEQPYNVUMVRFL-UHFFFAOYSA-N 0 0 309.373 3.048 10 30 DGEERN CCN(C(=O)[C@H]1CCCO[C@@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000191932358 432315166 /nfs/dbraw/zinc/31/51/66/432315166.db2.gz HGDDMVLGDNTTCV-RISCZKNCSA-N 0 0 306.793 3.380 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421677 432372835 /nfs/dbraw/zinc/37/28/35/432372835.db2.gz MAHSVIYMGCILHJ-ZETCQYMHSA-N 0 0 307.152 3.191 10 30 DGEERN Cc1c(Cl)cccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000192607979 432392179 /nfs/dbraw/zinc/39/21/79/432392179.db2.gz LSNCNCQAQNSELH-UHFFFAOYSA-N 0 0 314.772 3.329 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000175074898 432394416 /nfs/dbraw/zinc/39/44/16/432394416.db2.gz RDJRDPXXXZDPHV-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN CSc1nnc(C)n1N=Cc1cc(Br)cs1 ZINC000254308497 432401821 /nfs/dbraw/zinc/40/18/21/432401821.db2.gz KEHLIVVLTUFSHR-UHFFFAOYSA-N 0 0 317.237 3.015 10 30 DGEERN Cc1ccc(C=NN=C2SCC(=O)N2c2ccccc2)cc1 ZINC000254438711 432402900 /nfs/dbraw/zinc/40/29/00/432402900.db2.gz CXUAOOPVQFGNLX-UHFFFAOYSA-N 0 0 309.394 3.465 10 30 DGEERN CCOc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1 ZINC000254756633 432404915 /nfs/dbraw/zinc/40/49/15/432404915.db2.gz XWMYZQCIKAMTSH-UHFFFAOYSA-N 0 0 312.345 3.219 10 30 DGEERN CCN(C[C@@H](O)COc1ccccc1C(C)C)C[C@H](C)C#N ZINC000249913669 432361517 /nfs/dbraw/zinc/36/15/17/432361517.db2.gz WTVUELXOZCLTDX-HZPDHXFCSA-N 0 0 304.434 3.031 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000192376445 432366325 /nfs/dbraw/zinc/36/63/25/432366325.db2.gz NQMDFTAJTPSOOD-LBPRGKRZSA-N 0 0 316.380 3.315 10 30 DGEERN Cc1ccc(OC[C@@H](O)COc2ccc(C#N)cc2Cl)cc1 ZINC000153687327 432433668 /nfs/dbraw/zinc/43/36/68/432433668.db2.gz DLYHRXZYQDQRCU-CQSZACIVSA-N 0 0 317.772 3.339 10 30 DGEERN C=C(Br)CN(C)Cc1nc2c(s1)CCCC2 ZINC000175532295 432446714 /nfs/dbraw/zinc/44/67/14/432446714.db2.gz BIZZOWSSKPCNKJ-UHFFFAOYSA-N 0 0 301.253 3.362 10 30 DGEERN Cc1cnc(CCN(C)C(=O)Nc2ccc(F)c(C#N)c2)s1 ZINC000153942016 432457759 /nfs/dbraw/zinc/45/77/59/432457759.db2.gz RTVFHTWPLOVBPM-UHFFFAOYSA-N 0 0 318.377 3.169 10 30 DGEERN N#Cc1ccc(CC(=O)NCc2ccc(C(F)F)cc2)cc1 ZINC000184622991 432412803 /nfs/dbraw/zinc/41/28/03/432412803.db2.gz OWRZYDKCVPZLPP-UHFFFAOYSA-N 0 0 300.308 3.355 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(C#N)cc2)s1 ZINC000175230948 432414069 /nfs/dbraw/zinc/41/40/69/432414069.db2.gz RHLUNVIRIKWJBT-JTQLQIEISA-N 0 0 301.371 3.283 10 30 DGEERN CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1C#N ZINC000153541783 432419135 /nfs/dbraw/zinc/41/91/35/432419135.db2.gz AXMOELQBYIYAKV-NSHDSACASA-N 0 0 318.377 3.293 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000185365213 432493868 /nfs/dbraw/zinc/49/38/68/432493868.db2.gz NGVCKJYKKPDUNI-HOTGVXAUSA-N 0 0 317.429 3.427 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)OCC)c1ccc(F)cc1 ZINC000185442799 432501258 /nfs/dbraw/zinc/50/12/58/432501258.db2.gz NKGJUXPNMAWRJA-ZDUSSCGKSA-N 0 0 307.365 3.324 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000185510241 432507177 /nfs/dbraw/zinc/50/71/77/432507177.db2.gz WBCCKWIOFRNTAC-OAHLLOKOSA-N 0 0 320.477 3.276 10 30 DGEERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282974 432462766 /nfs/dbraw/zinc/46/27/66/432462766.db2.gz OZEMLVNTYMBNFP-NWDGAFQWSA-N 0 0 315.373 3.347 10 30 DGEERN CC(C)c1nc(C2(NC(=O)C#Cc3ccccc3)CCCC2)no1 ZINC000175805588 432467258 /nfs/dbraw/zinc/46/72/58/432467258.db2.gz QGHYLBRZNRVXGZ-UHFFFAOYSA-N 0 0 323.396 3.130 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966033 432550482 /nfs/dbraw/zinc/55/04/82/432550482.db2.gz CPAYYOIYWTZHTR-JCURWCKSSA-N 0 0 322.399 3.429 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000186021194 432554211 /nfs/dbraw/zinc/55/42/11/432554211.db2.gz QKSCYPVIVZZQHI-UHFFFAOYSA-N 0 0 319.767 3.354 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](NC(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000186027653 432554473 /nfs/dbraw/zinc/55/44/73/432554473.db2.gz FDANRPPGVZQHLL-ZOBUZTSGSA-N 0 0 320.477 3.202 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000186023070 432554834 /nfs/dbraw/zinc/55/48/34/432554834.db2.gz NIAXFLDJHJCJIO-MRXNPFEDSA-N 0 0 317.433 3.126 10 30 DGEERN C=CC[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000176859053 432558963 /nfs/dbraw/zinc/55/89/63/432558963.db2.gz CGPURKINVNJYAR-ZENOOKHLSA-N 0 0 306.381 3.262 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)s1 ZINC000176454753 432523277 /nfs/dbraw/zinc/52/32/77/432523277.db2.gz OAPFSHAKCWLULG-SECBINFHSA-N 0 0 319.361 3.422 10 30 DGEERN CCn1cc(C2CCN(c3cc(C(C)=O)ccc3C#N)CC2)cn1 ZINC000272569880 432526745 /nfs/dbraw/zinc/52/67/45/432526745.db2.gz SZKUFFAMMOAHOK-UHFFFAOYSA-N 0 0 322.412 3.361 10 30 DGEERN CCN(Cc1nnc(C)n1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000154899851 432527673 /nfs/dbraw/zinc/52/76/73/432527673.db2.gz BRGIWYRGRPOUFO-ZDUSSCGKSA-N 0 0 309.417 3.376 10 30 DGEERN N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)n2c1 ZINC000155061318 432537345 /nfs/dbraw/zinc/53/73/45/432537345.db2.gz HTLOOBPDAVCBHN-QGZVFWFLSA-N 0 0 302.381 3.195 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCOc1ncccc1C(F)(F)F ZINC000185914938 432544774 /nfs/dbraw/zinc/54/47/74/432544774.db2.gz KSNCTVOOISLWHM-NSHDSACASA-N 0 0 316.323 3.198 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000185949732 432548259 /nfs/dbraw/zinc/54/82/59/432548259.db2.gz ORRUOSYSVYBURY-VIFPVBQESA-N 0 0 307.699 3.026 10 30 DGEERN CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000186608667 432612945 /nfs/dbraw/zinc/61/29/45/432612945.db2.gz OZSHFETXYBMRGB-IINYFYTJSA-N 0 0 312.822 3.021 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2cc(C#N)cs2)cc1OC ZINC000176930137 432566601 /nfs/dbraw/zinc/56/66/01/432566601.db2.gz JXJFUWXVCGBDOP-SNVBAGLBSA-N 0 0 316.382 3.128 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)Cc3ccc(C#N)cc3)c2)no1 ZINC000194758618 432573727 /nfs/dbraw/zinc/57/37/27/432573727.db2.gz HXEJOQHJXIENIS-UHFFFAOYSA-N 0 0 318.336 3.098 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000186296072 432579557 /nfs/dbraw/zinc/57/95/57/432579557.db2.gz AEWMZNJUCUSREB-RDJZCZTQSA-N 0 0 317.429 3.045 10 30 DGEERN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000156186767 432591796 /nfs/dbraw/zinc/59/17/96/432591796.db2.gz OYHIXJCNUOLGSK-JTQLQIEISA-N 0 0 324.789 3.153 10 30 DGEERN CCCCCCCC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186412314 432593007 /nfs/dbraw/zinc/59/30/07/432593007.db2.gz FJDOTBBQMHWZNM-UHFFFAOYSA-N 0 0 303.450 3.481 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000186409587 432593194 /nfs/dbraw/zinc/59/31/94/432593194.db2.gz KBLBSJBVZDKNEF-HOCLYGCPSA-N 0 0 304.434 3.318 10 30 DGEERN C=CCOc1cccc(NC(=O)N(C)[C@@H](CO)CC(C)C)c1 ZINC000186435779 432593813 /nfs/dbraw/zinc/59/38/13/432593813.db2.gz LRDSHLYQDRQDSI-OAHLLOKOSA-N 0 0 306.406 3.122 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000186673362 432620945 /nfs/dbraw/zinc/62/09/45/432620945.db2.gz YYYCUNVKIAKONB-NSHDSACASA-N 0 0 302.683 3.391 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000186677526 432620949 /nfs/dbraw/zinc/62/09/49/432620949.db2.gz UWCDRMLKEYEAIB-CQSZACIVSA-N 0 0 317.433 3.124 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186808773 432631838 /nfs/dbraw/zinc/63/18/38/432631838.db2.gz DFPNCOVHBFLJEJ-CXAGYDPISA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000186940612 432637744 /nfs/dbraw/zinc/63/77/44/432637744.db2.gz ANLFTZPINOWBQJ-CQSZACIVSA-N 0 0 313.401 3.481 10 30 DGEERN Cc1ccc(OCCNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000187159461 432649998 /nfs/dbraw/zinc/64/99/98/432649998.db2.gz NBQYNBIYVQCBJZ-UHFFFAOYSA-N 0 0 320.392 3.094 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000274346193 432655548 /nfs/dbraw/zinc/65/55/48/432655548.db2.gz FICLHKBTNQYCRG-RDJZCZTQSA-N 0 0 315.413 3.089 10 30 DGEERN C=CCC[C@H](NC(=O)N(C)CC1(CO)CC1)c1ccccc1 ZINC000187321358 432658206 /nfs/dbraw/zinc/65/82/06/432658206.db2.gz PXFFANXIIHMBLK-INIZCTEOSA-N 0 0 302.418 3.108 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000274375266 432659462 /nfs/dbraw/zinc/65/94/62/432659462.db2.gz XDFJRYMQYQAXLF-SOUVJXGZSA-N 0 0 317.433 3.236 10 30 DGEERN C=CCN(C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C)C1CC1 ZINC000274386004 432660715 /nfs/dbraw/zinc/66/07/15/432660715.db2.gz UKWPXLWNPAMMML-GFCCVEGCSA-N 0 0 304.438 3.368 10 30 DGEERN COc1ccc(N(C(=O)c2cc(C#N)c[nH]2)[C@H](C)C2CC2)cc1 ZINC000177790101 432661956 /nfs/dbraw/zinc/66/19/56/432661956.db2.gz RFMXWEAGSKSGCT-GFCCVEGCSA-N 0 0 309.369 3.340 10 30 DGEERN CCc1cc(C(=O)N(CCC#N)Cc2cccnc2)oc1CC ZINC000159730347 432693134 /nfs/dbraw/zinc/69/31/34/432693134.db2.gz PGCDBXXVGRYLHX-UHFFFAOYSA-N 0 0 311.385 3.355 10 30 DGEERN N#Cc1ccccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000225521204 432694116 /nfs/dbraw/zinc/69/41/16/432694116.db2.gz RZCKYPHUZDLKRM-MAUKXSAKSA-N 0 0 314.335 3.144 10 30 DGEERN C=C(C)[C@H](NC(=O)CCc1ccnn1C)c1ccc(F)c(F)c1 ZINC000274661559 432695530 /nfs/dbraw/zinc/69/55/30/432695530.db2.gz VRFWWVGSDUFYFJ-KRWDZBQOSA-N 0 0 319.355 3.065 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000188047205 432700560 /nfs/dbraw/zinc/70/05/60/432700560.db2.gz APQDJGCIMITXQK-DCGLDWPTSA-N 0 0 308.422 3.468 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(F)c1C#N ZINC000188302039 432715428 /nfs/dbraw/zinc/71/54/28/432715428.db2.gz GXXDEHHFLCZSOT-ZDUSSCGKSA-N 0 0 312.344 3.032 10 30 DGEERN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C#N)c(O)c1 ZINC000188314253 432718596 /nfs/dbraw/zinc/71/85/96/432718596.db2.gz HDYMHQJXOSHRPW-UHFFFAOYSA-N 0 0 318.735 3.329 10 30 DGEERN Cc1[nH]nc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1C ZINC000274548168 432680923 /nfs/dbraw/zinc/68/09/23/432680923.db2.gz MFJVGQFCCUACFA-UHFFFAOYSA-N 0 0 302.422 3.255 10 30 DGEERN C=CCCCCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000274576249 432684380 /nfs/dbraw/zinc/68/43/80/432684380.db2.gz BPQTYDFFVIZCEZ-BBRMVZONSA-N 0 0 300.402 3.367 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000275824948 432751983 /nfs/dbraw/zinc/75/19/83/432751983.db2.gz RQFQMGQFUSONGU-GOSISDBHSA-N 0 0 318.392 3.195 10 30 DGEERN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000178555651 432752090 /nfs/dbraw/zinc/75/20/90/432752090.db2.gz WHXSQZMCFWELLI-CYBMUJFWSA-N 0 0 324.380 3.375 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000275824953 432752343 /nfs/dbraw/zinc/75/23/43/432752343.db2.gz RQFQMGQFUSONGU-SFHVURJKSA-N 0 0 318.392 3.195 10 30 DGEERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1C ZINC000178568670 432754443 /nfs/dbraw/zinc/75/44/43/432754443.db2.gz BCFDJCFUIWHGLR-INIZCTEOSA-N 0 0 323.400 3.068 10 30 DGEERN Cc1cccc2c1CCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189117769 432765594 /nfs/dbraw/zinc/76/55/94/432765594.db2.gz GIFXZDCICJTVJL-UHFFFAOYSA-N 0 0 302.377 3.488 10 30 DGEERN Cc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)s1 ZINC000178700737 432768409 /nfs/dbraw/zinc/76/84/09/432768409.db2.gz RTRCIJGGLXORJV-NSHDSACASA-N 0 0 310.382 3.137 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H](C)C2 ZINC000189197452 432770004 /nfs/dbraw/zinc/77/00/04/432770004.db2.gz NPOYBUFSZQRNEX-XIKOKIGWSA-N 0 0 306.365 3.236 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000275496664 432727448 /nfs/dbraw/zinc/72/74/48/432727448.db2.gz QFISJFHRHVYWAP-BLLLJJGKSA-N 0 0 306.362 3.001 10 30 DGEERN C=CCC[C@@H](C(=O)N[C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000188481440 432727538 /nfs/dbraw/zinc/72/75/38/432727538.db2.gz ZTVZCPJYOUYBGI-IAGOWNOFSA-N 0 0 324.428 3.288 10 30 DGEERN C[C@]1(CNc2ncccc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000160804322 432742730 /nfs/dbraw/zinc/74/27/30/432742730.db2.gz OQLMUFYTMYFWPF-LJQANCHMSA-N 0 0 306.413 3.420 10 30 DGEERN C[C@@]1(CNc2ncccc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000160804460 432742773 /nfs/dbraw/zinc/74/27/73/432742773.db2.gz OQLMUFYTMYFWPF-IBGZPJMESA-N 0 0 306.413 3.420 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000160810826 432742938 /nfs/dbraw/zinc/74/29/38/432742938.db2.gz XRESXFMAOAXPME-YVEFUNNKSA-N 0 0 320.820 3.480 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1coc(Br)c1 ZINC000162475079 432824962 /nfs/dbraw/zinc/82/49/62/432824962.db2.gz GWYVGWDCDWZSNH-UHFFFAOYSA-N 0 0 323.146 3.191 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C[C@@H](C)CS(C)(=O)=O ZINC000162532878 432826104 /nfs/dbraw/zinc/82/61/04/432826104.db2.gz WOBODHWGLDBHTJ-LLVKDONJSA-N 0 0 321.895 3.070 10 30 DGEERN CCn1nccc1CCSc1nc2c(cc1C#N)CCCC2 ZINC000189466331 432787738 /nfs/dbraw/zinc/78/77/38/432787738.db2.gz PLHYFDDDZKKXHK-UHFFFAOYSA-N 0 0 312.442 3.383 10 30 DGEERN CCCc1noc(CSCc2ccc(OC)c(C#N)c2)n1 ZINC000161645374 432790306 /nfs/dbraw/zinc/79/03/06/432790306.db2.gz HIAWUJDTORHFEG-UHFFFAOYSA-N 0 0 303.387 3.336 10 30 DGEERN CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)cc2C)cn1 ZINC000161840215 432799706 /nfs/dbraw/zinc/79/97/06/432799706.db2.gz VOWHPURHEMYMMB-UHFFFAOYSA-N 0 0 322.412 3.038 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000245865259 432865915 /nfs/dbraw/zinc/86/59/15/432865915.db2.gz PZTHEMIXHCMFQK-BPUTZDHNSA-N 0 0 315.413 3.422 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000277645690 432867033 /nfs/dbraw/zinc/86/70/33/432867033.db2.gz KLJNDJNAMSNWOJ-GOSISDBHSA-N 0 0 321.424 3.429 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000277991338 432880295 /nfs/dbraw/zinc/88/02/95/432880295.db2.gz CXMKYRZQXZFCDO-INIZCTEOSA-N 0 0 315.800 3.333 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000288019488 432882930 /nfs/dbraw/zinc/88/29/30/432882930.db2.gz CLOSSDVMPCWYCR-XJKSGUPXSA-N 0 0 303.764 3.114 10 30 DGEERN CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3cncnc3C2)CC1 ZINC000329918696 432883327 /nfs/dbraw/zinc/88/33/27/432883327.db2.gz RITXLSDNOHVGKN-GDBMZVCRSA-N 0 0 316.449 3.354 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)CCSC ZINC000288079643 432885153 /nfs/dbraw/zinc/88/51/53/432885153.db2.gz GZNXMTZCIPTMNC-WBVHZDCISA-N 0 0 318.486 3.404 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCn2cccc2[C@H]1C ZINC000288238272 432890449 /nfs/dbraw/zinc/89/04/49/432890449.db2.gz SBOYYCFDULMVRW-SJLPKXTDSA-N 0 0 321.424 3.209 10 30 DGEERN Cc1ocnc1CNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000330055719 432890734 /nfs/dbraw/zinc/89/07/34/432890734.db2.gz UTXXCVMJMYVPCG-LLVKDONJSA-N 0 0 319.327 3.307 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000288268295 432891180 /nfs/dbraw/zinc/89/11/80/432891180.db2.gz CGRZADQUWUDFBN-QAPCUYQASA-N 0 0 322.408 3.387 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000277486982 432854487 /nfs/dbraw/zinc/85/44/87/432854487.db2.gz OOABHTYRIWBFTB-UHFFFAOYSA-N 0 0 309.365 3.329 10 30 DGEERN C#Cc1ccc(CNC(=O)NC[C@H](c2cccnc2)C(C)C)cc1 ZINC000296566395 432923257 /nfs/dbraw/zinc/92/32/57/432923257.db2.gz RYRFMGZZFGEGFY-IBGZPJMESA-N 0 0 321.424 3.302 10 30 DGEERN C#Cc1ccc(CNC(=O)NCc2ccc(COCC)cc2)cc1 ZINC000296594931 432924383 /nfs/dbraw/zinc/92/43/83/432924383.db2.gz NZLKWGPWTXDGDQ-UHFFFAOYSA-N 0 0 322.408 3.204 10 30 DGEERN Cc1nc(C)c(C#N)c(S[C@@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000330750653 432925558 /nfs/dbraw/zinc/92/55/58/432925558.db2.gz YVBUFZZYMZGTSB-VIFPVBQESA-N 0 0 317.418 3.499 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(F)cc(F)c1F ZINC000296981212 432945587 /nfs/dbraw/zinc/94/55/87/432945587.db2.gz HBKNDHMICWQDLG-YMTOWFKASA-N 0 0 314.307 3.207 10 30 DGEERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CC2(C1)CCCC2 ZINC000330274152 432902088 /nfs/dbraw/zinc/90/20/88/432902088.db2.gz JQYWQWDZYINREM-UHFFFAOYSA-N 0 0 322.412 3.434 10 30 DGEERN C=CCC[C@H](NC(=O)N1CCC[C@@H](O)[C@H]1C)c1ccccc1 ZINC000296532973 432919422 /nfs/dbraw/zinc/91/94/22/432919422.db2.gz PSAKBHYPODZBTQ-HYVNUMGLSA-N 0 0 302.418 3.249 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CCC=C)c1ccccc1 ZINC000289391066 432954067 /nfs/dbraw/zinc/95/40/67/432954067.db2.gz PGXJBAYHZVFXTD-KRWDZBQOSA-N 0 0 314.429 3.235 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000297076528 432955378 /nfs/dbraw/zinc/95/53/78/432955378.db2.gz ANMFTCVCHWRNPV-HNNXBMFYSA-N 0 0 307.397 3.474 10 30 DGEERN CCC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000155352298 292705165 /nfs/dbraw/zinc/70/51/65/292705165.db2.gz YAMLYZAYPJMCAA-GJZGRUSLSA-N 0 0 300.402 3.364 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)C2CCC(F)(F)CC2)cc1 ZINC000297792106 433018209 /nfs/dbraw/zinc/01/82/09/433018209.db2.gz XLLDOARZFWDUIU-UHFFFAOYSA-N 0 0 306.356 3.387 10 30 DGEERN C#CCC(C)(C)C(=O)O[C@H]1CCc2cc(Br)cnc21 ZINC000290235279 433018264 /nfs/dbraw/zinc/01/82/64/433018264.db2.gz YCYMDLHGKDPUGR-LBPRGKRZSA-N 0 0 322.202 3.424 10 30 DGEERN C=CC[C@H](C)[C@@H](C)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000290248554 433019989 /nfs/dbraw/zinc/01/99/89/433019989.db2.gz VLBLDHLXXMOIJW-YUTCNCBUSA-N 0 0 315.417 3.452 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCCC(C)(C)[C@@H]1CC=C ZINC000297833689 433023558 /nfs/dbraw/zinc/02/35/58/433023558.db2.gz QWHSPKRDQKIUBB-HNNXBMFYSA-N 0 0 306.450 3.004 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000280278587 433026467 /nfs/dbraw/zinc/02/64/67/433026467.db2.gz QEWYINIWUNFHQA-KRWDZBQOSA-N 0 0 315.457 3.493 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425037525 433080503 /nfs/dbraw/zinc/08/05/03/433080503.db2.gz KPPBFQWYGHTDET-HOCLYGCPSA-N 0 0 307.434 3.149 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H]2CCc3cc(Cl)ccc32)C1=O ZINC000419957850 433085235 /nfs/dbraw/zinc/08/52/35/433085235.db2.gz VPXSBICJUDFWEN-KBPBESRZSA-N 0 0 304.777 3.214 10 30 DGEERN C=C(C)CCN1C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C1=O ZINC000419989926 433095044 /nfs/dbraw/zinc/09/50/44/433095044.db2.gz GZGKXBGWSZTTBG-WBVHZDCISA-N 0 0 312.413 3.383 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2ccc3c[nH]nc3c2)cc1 ZINC000446890177 433121537 /nfs/dbraw/zinc/12/15/37/433121537.db2.gz HJFDATLKICCYOM-UHFFFAOYSA-N 0 0 306.369 3.091 10 30 DGEERN C[C@H]1OCC[C@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280729178 433153493 /nfs/dbraw/zinc/15/34/93/433153493.db2.gz NBDJAXQNACPOLT-MLGOLLRUSA-N 0 0 310.401 3.073 10 30 DGEERN C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000373142389 433103252 /nfs/dbraw/zinc/10/32/52/433103252.db2.gz STPVVQLSCOQFQD-IBGZPJMESA-N 0 0 312.457 3.003 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCSCC1 ZINC000290958807 433210859 /nfs/dbraw/zinc/21/08/59/433210859.db2.gz HLPJUGACWSPICA-UHFFFAOYSA-N 0 0 318.446 3.284 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](COC)CC1 ZINC000453423140 433175010 /nfs/dbraw/zinc/17/50/10/433175010.db2.gz BOOBQNKDMIPTFA-HUUCEWRRSA-N 0 0 306.454 3.231 10 30 DGEERN CCCO[C@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000374236563 433180286 /nfs/dbraw/zinc/18/02/86/433180286.db2.gz DDWNPVSCPMKDGP-JCYILVPMSA-N 0 0 321.465 3.307 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)c(OC)cc1C ZINC000280801017 433180524 /nfs/dbraw/zinc/18/05/24/433180524.db2.gz YKKLPOVQKYGFML-PBHICJAKSA-N 0 0 318.417 3.415 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000453432252 433180828 /nfs/dbraw/zinc/18/08/28/433180828.db2.gz BDSDWDJUIKTQCR-CABCVRRESA-N 0 0 316.449 3.475 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C)CC1 ZINC000453432958 433184545 /nfs/dbraw/zinc/18/45/45/433184545.db2.gz CBHANMDUWFRTBE-HUUCEWRRSA-N 0 0 304.438 3.332 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000374360377 433188455 /nfs/dbraw/zinc/18/84/55/433188455.db2.gz PDRBUQJJMIXTDU-UHFFFAOYSA-N 0 0 318.376 3.002 10 30 DGEERN C=CCn1c(N2CCC(CC)CC2)nnc1[C@]1(C)CCCO1 ZINC000453444034 433189538 /nfs/dbraw/zinc/18/95/38/433189538.db2.gz RVRMZCUYLDMTAN-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N(CC)C[C@@H](C)CC)nnc1[C@]1(C)CCCO1 ZINC000453444769 433190787 /nfs/dbraw/zinc/19/07/87/433190787.db2.gz SSKRHJIMTGGRSR-YOEHRIQHSA-N 0 0 306.454 3.362 10 30 DGEERN CC(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1C ZINC000447434085 433200813 /nfs/dbraw/zinc/20/08/13/433200813.db2.gz DPFLLYCEYVTTMQ-QGZVFWFLSA-N 0 0 310.328 3.331 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453472735 433201193 /nfs/dbraw/zinc/20/11/93/433201193.db2.gz YDUYNHFHNPMBAQ-DAYGRLMNSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453467198 433201380 /nfs/dbraw/zinc/20/13/80/433201380.db2.gz QMYOOVWSDHZHBD-WMLDXEAASA-N 0 0 304.438 3.116 10 30 DGEERN C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2ccc(F)cc2)C1=O ZINC000337194551 433214631 /nfs/dbraw/zinc/21/46/31/433214631.db2.gz VKOQCXYDBBYYKN-DLBZAZTESA-N 0 0 302.393 3.140 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)COc1ccsc1 ZINC000337455338 433236100 /nfs/dbraw/zinc/23/61/00/433236100.db2.gz WEIQEHZKZQMLNF-UHFFFAOYSA-N 0 0 301.411 3.384 10 30 DGEERN C=CCC1(C(=O)N(CCOC)Cc2cccs2)CCOCC1 ZINC000425428501 433237238 /nfs/dbraw/zinc/23/72/38/433237238.db2.gz WEPPUDKGCLRZMK-UHFFFAOYSA-N 0 0 323.458 3.096 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Oc1cc(/C=C\C(=O)OC)ccc1OC ZINC000281150164 433267688 /nfs/dbraw/zinc/26/76/88/433267688.db2.gz XMIMBNFMKUSXQZ-JWJUJFCLSA-N 0 0 318.369 3.389 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374793548 433279962 /nfs/dbraw/zinc/27/99/62/433279962.db2.gz LKXOTMFLEJVTNC-IEBWSBKVSA-N 0 0 316.445 3.077 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447820877 433289203 /nfs/dbraw/zinc/28/92/03/433289203.db2.gz IZSXNODNKWDUPE-UHFFFAOYSA-N 0 0 323.336 3.014 10 30 DGEERN C=CCOCCCC(=O)Nc1cc(C)nn1-c1ccccc1C ZINC000361619809 433295388 /nfs/dbraw/zinc/29/53/88/433295388.db2.gz HOUURDCNQDSCLT-UHFFFAOYSA-N 0 0 313.401 3.410 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000425563290 433303320 /nfs/dbraw/zinc/30/33/20/433303320.db2.gz INXLDXVFZJQTPO-UBDQQSCGSA-N 0 0 314.429 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccccc1F ZINC000425566947 433304497 /nfs/dbraw/zinc/30/44/97/433304497.db2.gz CJYJTATXTAGXER-WWGRRREGSA-N 0 0 306.381 3.119 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ccccc2C)C1 ZINC000425582147 433308239 /nfs/dbraw/zinc/30/82/39/433308239.db2.gz NJMVSRMYCTWSFW-JZXOWHBKSA-N 0 0 314.429 3.085 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)CC(C)C ZINC000425572490 433309211 /nfs/dbraw/zinc/30/92/11/433309211.db2.gz JIMRMQXPLKQMHA-ROUUACIJSA-N 0 0 316.445 3.445 10 30 DGEERN C=CCCCNC(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000448008281 433348056 /nfs/dbraw/zinc/34/80/56/433348056.db2.gz KTPWTZCOACGBAV-UHFFFAOYSA-N 0 0 304.781 3.613 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000448015939 433348279 /nfs/dbraw/zinc/34/82/79/433348279.db2.gz SJCROOMTMWFQPI-UHFFFAOYSA-N 0 0 321.808 3.320 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CSCc1c(C)noc1C ZINC000299324491 433361891 /nfs/dbraw/zinc/36/18/91/433361891.db2.gz YMIFUHOKQGTKMW-UHFFFAOYSA-N 0 0 322.352 3.102 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000425848531 433362885 /nfs/dbraw/zinc/36/28/85/433362885.db2.gz DUCKWAOUKXIYPK-YOEHRIQHSA-N 0 0 318.392 3.091 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000299602237 433374344 /nfs/dbraw/zinc/37/43/44/433374344.db2.gz LOIOWUYVGIQMDT-AWEZNQCLSA-N 0 0 319.474 3.009 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000447935792 433327330 /nfs/dbraw/zinc/32/73/30/433327330.db2.gz JUDBPWCWYDAQDU-UHFFFAOYSA-N 0 0 305.852 3.306 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374986900 433327435 /nfs/dbraw/zinc/32/74/35/433327435.db2.gz BZMDBRXZXXINPK-CYBMUJFWSA-N 0 0 320.820 3.332 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1CCCCC ZINC000425663344 433338850 /nfs/dbraw/zinc/33/88/50/433338850.db2.gz QDJFXHHXUHTZKE-GJZGRUSLSA-N 0 0 320.437 3.094 10 30 DGEERN C=CCCCNC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000447994487 433340919 /nfs/dbraw/zinc/34/09/19/433340919.db2.gz WRFZANINMCZCLU-HNNXBMFYSA-N 0 0 302.418 3.381 10 30 DGEERN C=CCn1cc(CNC(=O)Nc2c(Cl)ccc(C)c2C)nn1 ZINC000425683525 433343412 /nfs/dbraw/zinc/34/34/12/433343412.db2.gz OKUOILJLZVOFDB-UHFFFAOYSA-N 0 0 319.796 3.056 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000448564998 433426334 /nfs/dbraw/zinc/42/63/34/433426334.db2.gz MBVKXPMUFBKMAO-YPMHNXCESA-N 0 0 300.185 3.201 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)OCC ZINC000375245845 433396290 /nfs/dbraw/zinc/39/62/90/433396290.db2.gz POIPBSADNMMMLF-GOSISDBHSA-N 0 0 314.429 3.474 10 30 DGEERN C=CCCCNC(=O)NCC1(c2ccccc2OC)CCC1 ZINC000448387327 433403772 /nfs/dbraw/zinc/40/37/72/433403772.db2.gz NUYIGMUMIICQNR-UHFFFAOYSA-N 0 0 302.418 3.382 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000448375531 433403937 /nfs/dbraw/zinc/40/39/37/433403937.db2.gz NKVFKJNBNZJKQN-UHFFFAOYSA-N 0 0 316.735 3.299 10 30 DGEERN C=CCCCNC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000448377811 433405820 /nfs/dbraw/zinc/40/58/20/433405820.db2.gz UANYZIVTSPKARM-WBVHZDCISA-N 0 0 302.418 3.433 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1cccc(C(F)(F)F)c1 ZINC000448579344 433433328 /nfs/dbraw/zinc/43/33/28/433433328.db2.gz CWMDKNCQAKOOOA-JTQLQIEISA-N 0 0 321.302 3.407 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cnnc(-c2ccccc2)c1 ZINC000361933100 433458279 /nfs/dbraw/zinc/45/82/79/433458279.db2.gz UMKLQQZNXAHQKA-GOSISDBHSA-N 0 0 308.385 3.202 10 30 DGEERN COc1ccccc1C[C@@H](C)N(C)C(=O)c1sccc1C#N ZINC000361950979 433465905 /nfs/dbraw/zinc/46/59/05/433465905.db2.gz ANSKRDUSIJWLFH-GFCCVEGCSA-N 0 0 314.410 3.332 10 30 DGEERN CC(C)OC(=O)N1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301242711 433466660 /nfs/dbraw/zinc/46/66/60/433466660.db2.gz OPUJZTCZEVFJQZ-UHFFFAOYSA-N 0 0 305.353 3.119 10 30 DGEERN CCc1ccc(CN(C(=O)c2ccc(C#N)n2C)C2CC2)cc1 ZINC000448664009 433480447 /nfs/dbraw/zinc/48/04/47/433480447.db2.gz KLXGNCJPBYTADT-UHFFFAOYSA-N 0 0 307.397 3.264 10 30 DGEERN CNC(=O)c1cccc(CNc2cc(C#N)nc3ccccc32)c1 ZINC000301378874 433531822 /nfs/dbraw/zinc/53/18/22/433531822.db2.gz ZBLZCAQSQJLVTH-UHFFFAOYSA-N 0 0 316.364 3.078 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000362127131 433538783 /nfs/dbraw/zinc/53/87/83/433538783.db2.gz WFFZHPCKCFBVRD-UHFFFAOYSA-N 0 0 304.177 3.055 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1nccs1 ZINC000282241069 433539423 /nfs/dbraw/zinc/53/94/23/433539423.db2.gz KDJBVGNKECCNRC-UHFFFAOYSA-N 0 0 305.451 3.146 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000292160364 433487893 /nfs/dbraw/zinc/48/78/93/433487893.db2.gz XRIVYHWGVTWPNO-UHFFFAOYSA-N 0 0 314.389 3.153 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC23CC3)cc1 ZINC000421443414 433572223 /nfs/dbraw/zinc/57/22/23/433572223.db2.gz ISODLCNAVSTPAH-INIZCTEOSA-N 0 0 310.397 3.239 10 30 DGEERN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)n1C ZINC000448826921 433573510 /nfs/dbraw/zinc/57/35/10/433573510.db2.gz WJQHWQXITOTILR-UHFFFAOYSA-N 0 0 320.396 3.067 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421449245 433574390 /nfs/dbraw/zinc/57/43/90/433574390.db2.gz VYTKRTQZBZSGTF-UHFFFAOYSA-N 0 0 316.279 3.402 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC000426740358 433578333 /nfs/dbraw/zinc/57/83/33/433578333.db2.gz HNAWJZQDDCYAOH-KRWDZBQOSA-N 0 0 303.402 3.375 10 30 DGEERN C=CCC[C@H]1NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O ZINC000414369993 433578211 /nfs/dbraw/zinc/57/82/11/433578211.db2.gz UUPDFIYBPBFZAQ-CQSZACIVSA-N 0 0 301.390 3.061 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000448844316 433579485 /nfs/dbraw/zinc/57/94/85/433579485.db2.gz AHIHJSWRQNUSTQ-CXAGYDPISA-N 0 0 306.381 3.175 10 30 DGEERN C=CCOc1ccc(CNc2ncnc3c2ncn3C2CC2)cc1 ZINC000292588876 433581132 /nfs/dbraw/zinc/58/11/32/433581132.db2.gz BBOVPTWAGTZZOS-UHFFFAOYSA-N 0 0 321.384 3.338 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(c2nc(CC)c(C(C)(C)C)s2)C1=O ZINC000414387090 433585437 /nfs/dbraw/zinc/58/54/37/433585437.db2.gz ZVDFKOVUHIYELV-NSHDSACASA-N 0 0 321.446 3.394 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000292695611 433586758 /nfs/dbraw/zinc/58/67/58/433586758.db2.gz KNYBNGMQFCIQFU-UHFFFAOYSA-N 0 0 316.323 3.449 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000292698086 433588323 /nfs/dbraw/zinc/58/83/23/433588323.db2.gz KPKCAAUVUFVKOB-UHFFFAOYSA-N 0 0 300.202 3.224 10 30 DGEERN COc1ccc(OC)c(CN(c2cccc(C#N)n2)C2CC2)c1 ZINC000301542498 433603957 /nfs/dbraw/zinc/60/39/57/433603957.db2.gz SJIGWUMENVGYIB-UHFFFAOYSA-N 0 0 309.369 3.139 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N1CCCC12CCC2 ZINC000376109905 433666271 /nfs/dbraw/zinc/66/62/71/433666271.db2.gz FRETUFBZTIIMGN-UHFFFAOYSA-N 0 0 302.349 3.388 10 30 DGEERN C=CCN(C)c1nnc(-c2cc(C)oc2C)n1CCCOCC ZINC000283061282 433651139 /nfs/dbraw/zinc/65/11/39/433651139.db2.gz QZRWBDGJISDRER-UHFFFAOYSA-N 0 0 318.421 3.204 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000362397732 433694181 /nfs/dbraw/zinc/69/41/81/433694181.db2.gz RYLRPQRTLCEURS-GFCCVEGCSA-N 0 0 315.442 3.357 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000376267140 433704124 /nfs/dbraw/zinc/70/41/24/433704124.db2.gz RNYGUXWPYPTVDX-WBVHZDCISA-N 0 0 301.434 3.400 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1oc(C(C)C)nc1C ZINC000293337185 433706184 /nfs/dbraw/zinc/70/61/84/433706184.db2.gz XBEHAVUELKCRFC-MRXNPFEDSA-N 0 0 310.397 3.471 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000362549041 433750447 /nfs/dbraw/zinc/75/04/47/433750447.db2.gz ZXLCYDMVZVOMNE-BBRMVZONSA-N 0 0 305.374 3.014 10 30 DGEERN C=CCn1c(SCc2nn(C)cc2Cl)nnc1C1CC1 ZINC000421826810 433754227 /nfs/dbraw/zinc/75/42/27/433754227.db2.gz UUCDVDIASLQIHX-UHFFFAOYSA-N 0 0 309.826 3.021 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC=C(c2ccccc2F)C1)OCC ZINC000376494909 433757090 /nfs/dbraw/zinc/75/70/90/433757090.db2.gz JNMISXSLWXTUHX-QGZVFWFLSA-N 0 0 303.377 3.423 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376502201 433758190 /nfs/dbraw/zinc/75/81/90/433758190.db2.gz OQIDSSFXSWYUSU-HNNXBMFYSA-N 0 0 319.424 3.402 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362451423 433722608 /nfs/dbraw/zinc/72/26/08/433722608.db2.gz LQXBKQCFNBYGOI-HZPDHXFCSA-N 0 0 304.434 3.477 10 30 DGEERN C=C[C@@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362590833 433778987 /nfs/dbraw/zinc/77/89/87/433778987.db2.gz ZGGBNTLXKUELME-QWHCGFSZSA-N 0 0 317.389 3.135 10 30 DGEERN C=C[C@@H](C)NC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000362612478 433789708 /nfs/dbraw/zinc/78/97/08/433789708.db2.gz HUKMXYKFANJVDS-SNVBAGLBSA-N 0 0 321.218 3.403 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000376626161 433791095 /nfs/dbraw/zinc/79/10/95/433791095.db2.gz GCJUVZBJSBMBKX-UHFFFAOYSA-N 0 0 304.393 3.024 10 30 DGEERN CCOc1ccc(SCC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000356972695 433794084 /nfs/dbraw/zinc/79/40/84/433794084.db2.gz KKLXLWBLMPWLIM-UHFFFAOYSA-N 0 0 318.442 3.330 10 30 DGEERN COc1ccc(S[C@@H](C)C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000356981240 433798678 /nfs/dbraw/zinc/79/86/78/433798678.db2.gz MAKWEGHSXCBQEC-ZDUSSCGKSA-N 0 0 318.442 3.328 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000456765805 433813776 /nfs/dbraw/zinc/81/37/76/433813776.db2.gz HHJWZGQTVCAVLA-ZDUSSCGKSA-N 0 0 320.776 3.052 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)c(CC(C)C)c(C)n1 ZINC000435589915 433876152 /nfs/dbraw/zinc/87/61/52/433876152.db2.gz VSFHVIMIQVEDMS-WBVHZDCISA-N 0 0 303.450 3.685 10 30 DGEERN N#Cc1nc(Nc2cc(Cl)c(N)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000302712792 433834960 /nfs/dbraw/zinc/83/49/60/433834960.db2.gz IKGCNFJPBHARFK-UHFFFAOYSA-N 0 0 324.127 3.494 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000377380489 433866776 /nfs/dbraw/zinc/86/67/76/433866776.db2.gz SYDOMUYIHJQORN-AWEZNQCLSA-N 0 0 316.401 3.314 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@@]12CCOC2)c1ccccc1 ZINC000422197066 433897164 /nfs/dbraw/zinc/89/71/64/433897164.db2.gz XXJCOCMCNBBKMO-AEFFLSMTSA-N 0 0 300.402 3.268 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000450013364 433924109 /nfs/dbraw/zinc/92/41/09/433924109.db2.gz XFTLOKSVWICFOB-YOHUBWIESA-N 0 0 321.461 3.164 10 30 DGEERN Cc1oc(C#N)cc1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000436149894 433890805 /nfs/dbraw/zinc/89/08/05/433890805.db2.gz JMPQRSQJJBDMFU-UHFFFAOYSA-N 0 0 318.760 3.060 10 30 DGEERN C=CCCS(=O)(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000436164026 433894235 /nfs/dbraw/zinc/89/42/35/433894235.db2.gz YEEPEUHXMQTPQR-UHFFFAOYSA-N 0 0 309.431 3.089 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000436358855 433946508 /nfs/dbraw/zinc/94/65/08/433946508.db2.gz CMXNMPAYAWUZNS-QRTARXTBSA-N 0 0 318.417 3.497 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC000457047882 433950219 /nfs/dbraw/zinc/95/02/19/433950219.db2.gz PRXILSYFUZIONX-IBGZPJMESA-N 0 0 307.397 3.038 10 30 DGEERN COc1cc(F)cc(C[C@@H](C)NC(=O)c2sccc2C#N)c1 ZINC000457050219 433954806 /nfs/dbraw/zinc/95/48/06/433954806.db2.gz GWIYGKRDUXHIAD-SNVBAGLBSA-N 0 0 318.373 3.128 10 30 DGEERN C=C(Cl)CNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000363237682 434003810 /nfs/dbraw/zinc/00/38/10/434003810.db2.gz OQRONYNURDIABL-OAHLLOKOSA-N 0 0 301.777 3.223 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1cccc(OC)c1 ZINC000285640949 434020937 /nfs/dbraw/zinc/02/09/37/434020937.db2.gz DHHKXFVMBXKDOY-LJQANCHMSA-N 0 0 321.420 3.379 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C(C)(C)C)nc1C ZINC000285921811 434109231 /nfs/dbraw/zinc/10/92/31/434109231.db2.gz SZAFONBQSTXMKX-KRWDZBQOSA-N 0 0 323.440 3.311 10 30 DGEERN C=CCC(F)(F)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000294496381 434117188 /nfs/dbraw/zinc/11/71/88/434117188.db2.gz BIKLEEJXZYBBEU-CYBMUJFWSA-N 0 0 323.387 3.137 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)Cc1nccnc1OC ZINC000294586892 434122213 /nfs/dbraw/zinc/12/22/13/434122213.db2.gz RBIWGHALYVGJBE-UHFFFAOYSA-N 0 0 309.822 3.388 10 30 DGEERN Cn1ccc2c(NC(=O)[C@H]3CCCCC(=O)N3)cccc2c1=O ZINC000328640691 294361228 /nfs/dbraw/zinc/36/12/28/294361228.db2.gz CVSFHDXGQZUTGD-CQSZACIVSA-N 0 0 313.357 3.026 10 30 DGEERN C=CCCS(=O)(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000416591388 434144939 /nfs/dbraw/zinc/14/49/39/434144939.db2.gz LLMMCXOBLFUBRA-MRXNPFEDSA-N 0 0 305.443 3.162 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000363818629 434159535 /nfs/dbraw/zinc/15/95/35/434159535.db2.gz HYSCJMMJHXDXMY-OAHLLOKOSA-N 0 0 315.413 3.283 10 30 DGEERN CC#CCCNC(=O)CCc1cccc(F)c1Br ZINC000450478074 434212772 /nfs/dbraw/zinc/21/27/72/434212772.db2.gz ZGWWEBQPBHMHNS-UHFFFAOYSA-N 0 0 312.182 3.050 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cccc2c1O[C@H](C)C2 ZINC000450489567 434222224 /nfs/dbraw/zinc/22/22/24/434222224.db2.gz QQSUVOYNACLWMR-CQSZACIVSA-N 0 0 311.381 3.474 10 30 DGEERN C=CCC1(NC(=O)NCc2c(C)cc(C)[nH]c2=O)CCCCC1 ZINC000457531612 434223454 /nfs/dbraw/zinc/22/34/54/434223454.db2.gz PEHKWTPCHAAIKI-UHFFFAOYSA-N 0 0 317.433 3.482 10 30 DGEERN C=CCOCCNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000378599583 434230758 /nfs/dbraw/zinc/23/07/58/434230758.db2.gz VZKRXSDQZRGUDN-AWEZNQCLSA-N 0 0 324.808 3.056 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000286869463 434293017 /nfs/dbraw/zinc/29/30/17/434293017.db2.gz DCFCFPQBZQMWGM-JKSUJKDBSA-N 0 0 320.383 3.356 10 30 DGEERN Cn1cc(C(=O)NCc2ccccc2Cl)c([C@@H]2CCOC2)n1 ZINC000328635453 434293696 /nfs/dbraw/zinc/29/36/96/434293696.db2.gz UTROEJJWUHBFPH-GFCCVEGCSA-N 0 0 319.792 3.082 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C)C1)CCC2 ZINC000328664477 434296813 /nfs/dbraw/zinc/29/68/13/434296813.db2.gz YONFNTTYGADUEE-VHDGCEQUSA-N 0 0 304.438 3.151 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H]1CCC[C@H](C)C1)CCC2 ZINC000328662114 434298164 /nfs/dbraw/zinc/29/81/64/434298164.db2.gz XDWINZIUPQZAOP-CWRNSKLLSA-N 0 0 318.465 3.493 10 30 DGEERN C=CCCCCCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000286996816 434302813 /nfs/dbraw/zinc/30/28/13/434302813.db2.gz KEZFUDRTZLPISG-UHFFFAOYSA-N 0 0 316.405 3.094 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CSC ZINC000287195038 434308255 /nfs/dbraw/zinc/30/82/55/434308255.db2.gz DFNNCDYYUCTFCL-DLBZAZTESA-N 0 0 316.470 3.158 10 30 DGEERN Cn1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812483 434310634 /nfs/dbraw/zinc/31/06/34/434310634.db2.gz DNUBEIFMBXDTNY-FDQGKXFDSA-N 0 0 312.392 3.321 10 30 DGEERN Cn1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812487 434310908 /nfs/dbraw/zinc/31/09/08/434310908.db2.gz DNUBEIFMBXDTNY-QANKJYHBSA-N 0 0 312.392 3.321 10 30 DGEERN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328871108 434320698 /nfs/dbraw/zinc/32/06/98/434320698.db2.gz IGXOACSHWIQVDH-HIFRSBDPSA-N 0 0 318.808 3.122 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328858871 434321534 /nfs/dbraw/zinc/32/15/34/434321534.db2.gz YLAYQSCPCNKOGS-NWDGAFQWSA-N 0 0 305.378 3.397 10 30 DGEERN C[C@@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)c1ccsc1 ZINC000328927686 434327533 /nfs/dbraw/zinc/32/75/33/434327533.db2.gz FZYRFRZCSZNUJP-TYNCELHUSA-N 0 0 319.430 3.319 10 30 DGEERN C[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)c1cccs1 ZINC000366216427 434361662 /nfs/dbraw/zinc/36/16/62/434361662.db2.gz MGHWLBHOZFEGSF-JLJPHGGASA-N 0 0 318.442 3.305 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H](C)CC(F)(F)F)cc1 ZINC000457820236 434363178 /nfs/dbraw/zinc/36/31/78/434363178.db2.gz VDAHCKPDJHEHSU-LLVKDONJSA-N 0 0 301.308 3.456 10 30 DGEERN O=C(N[C@H]1CCO[C@@H]1c1cccnc1)[C@H]1OCCc2ccccc21 ZINC000329169607 434368766 /nfs/dbraw/zinc/36/87/66/434368766.db2.gz JEXKEZAFQHVOSD-KSZLIROESA-N 0 0 324.380 3.182 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)ncc1C#N ZINC000457834283 434369588 /nfs/dbraw/zinc/36/95/88/434369588.db2.gz ZQWVPAXXAYUOCI-INIZCTEOSA-N 0 0 305.381 3.282 10 30 DGEERN C=C[C@@H]1OCC[C@H]1Nc1nnc(-c2ccccc2Cl)s1 ZINC000450758008 434389995 /nfs/dbraw/zinc/38/99/95/434389995.db2.gz NCCULBPCZAKNFG-NEPJUHHUSA-N 0 0 307.806 3.614 10 30 DGEERN C=CCC1(C(=O)N2CC[S@](=O)C(CC)(CC)C2)CCCC1 ZINC000450682746 434339286 /nfs/dbraw/zinc/33/92/86/434339286.db2.gz QIMSQHVYFYWDOA-NRFANRHFSA-N 0 0 311.491 3.273 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CSCc1ccncc1 ZINC000287392677 434349405 /nfs/dbraw/zinc/34/94/05/434349405.db2.gz PCLBARSEKFXNBA-GOSISDBHSA-N 0 0 324.449 3.066 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000329441027 434412016 /nfs/dbraw/zinc/41/20/16/434412016.db2.gz KWYSMPQNHAHRRF-NVAWSTJUSA-N 0 0 322.408 3.082 10 30 DGEERN N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450365122 294814100 /nfs/dbraw/zinc/81/41/00/294814100.db2.gz PETMVGCRUMRTEF-JKSUJKDBSA-N 0 0 308.341 3.266 10 30 DGEERN CC(C)n1ncc2c1C[C@H](NC(=O)COC1CCCC1)CC2 ZINC000329527459 434423925 /nfs/dbraw/zinc/42/39/25/434423925.db2.gz SBTLSYDEBOFFHU-CQSZACIVSA-N 0 0 305.422 3.237 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438162363 434425143 /nfs/dbraw/zinc/42/51/43/434425143.db2.gz YEAKFAFFUUEABJ-IYOUNJFTSA-N 0 0 303.402 3.039 10 30 DGEERN C=CCOc1ccc(CNc2nc(C(=O)OCC)cs2)cc1 ZINC000295650490 434427515 /nfs/dbraw/zinc/42/75/15/434427515.db2.gz GFGBISHXYSCDRO-UHFFFAOYSA-N 0 0 318.398 3.497 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000438162366 434427609 /nfs/dbraw/zinc/42/76/09/434427609.db2.gz YEAKFAFFUUEABJ-LBTNJELSSA-N 0 0 303.402 3.039 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000417608790 434462096 /nfs/dbraw/zinc/46/20/96/434462096.db2.gz JNZPFMMAQZNDRM-LLVKDONJSA-N 0 0 320.389 3.458 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1c(F)cccc1Br ZINC000417605173 434463077 /nfs/dbraw/zinc/46/30/77/434463077.db2.gz ASELQBFPBULCDG-SECBINFHSA-N 0 0 316.170 3.097 10 30 DGEERN CCn1ccnc1[C@H]1CCCCN1C(=O)c1sccc1C#N ZINC000366609836 434463890 /nfs/dbraw/zinc/46/38/90/434463890.db2.gz QHXROORPSLLUES-CYBMUJFWSA-N 0 0 314.414 3.204 10 30 DGEERN C=CCc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000438362151 434468876 /nfs/dbraw/zinc/46/88/76/434468876.db2.gz WTPGECSCODSJGN-IHRRRGAJSA-N 0 0 305.418 3.127 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000417623384 434472197 /nfs/dbraw/zinc/47/21/97/434472197.db2.gz IURQFZLUWRGBFC-SNVBAGLBSA-N 0 0 305.271 3.354 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000417631644 434480215 /nfs/dbraw/zinc/48/02/15/434480215.db2.gz VYDWUGPYDBOLLT-LBPRGKRZSA-N 0 0 305.271 3.354 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Br)cs1 ZINC000417631185 434480286 /nfs/dbraw/zinc/48/02/86/434480286.db2.gz VNSGBYFSQJSPNX-SECBINFHSA-N 0 0 304.209 3.020 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(F)ccc1Br ZINC000417632815 434481446 /nfs/dbraw/zinc/48/14/46/434481446.db2.gz XHVCZBDCBUNDMX-LLVKDONJSA-N 0 0 316.170 3.097 10 30 DGEERN N#Cc1cc(F)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000176279642 294879690 /nfs/dbraw/zinc/87/96/90/294879690.db2.gz ITVVNCWXKZKSGK-SECBINFHSA-N 0 0 318.245 3.251 10 30 DGEERN C=CCC1(NC(=O)NCc2ccc(CO)c(F)c2)CCCCC1 ZINC000458141375 434497879 /nfs/dbraw/zinc/49/78/79/434497879.db2.gz ZZBJOBUPHLQRSN-UHFFFAOYSA-N 0 0 320.408 3.396 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000417603776 434456286 /nfs/dbraw/zinc/45/62/86/434456286.db2.gz AIRKNMMOFQUAKF-NSHDSACASA-N 0 0 319.735 3.450 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000417603701 434457770 /nfs/dbraw/zinc/45/77/70/434457770.db2.gz AADHGXPOLYVCOF-ZDUSSCGKSA-N 0 0 320.389 3.458 10 30 DGEERN Cc1nc(Nc2ccc(N3CCC3=O)cc2)c(Cl)cc1C#N ZINC000360089062 434510341 /nfs/dbraw/zinc/51/03/41/434510341.db2.gz KDWIDRDMEZQAOP-UHFFFAOYSA-N 0 0 312.760 3.395 10 30 DGEERN C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1O ZINC000408089714 434539728 /nfs/dbraw/zinc/53/97/28/434539728.db2.gz OVXWAHUDAMRFSX-ZANVPECISA-N 0 0 319.767 3.106 10 30 DGEERN COc1cccc([C@@H]2C[C@H](C)CN2c2nc(C)cc(C#N)n2)c1 ZINC000367269180 434543657 /nfs/dbraw/zinc/54/36/57/434543657.db2.gz GRHGTICAADKQAY-SJCJKPOMSA-N 0 0 308.385 3.253 10 30 DGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000408171594 434547150 /nfs/dbraw/zinc/54/71/50/434547150.db2.gz LHLPUMGSCFMNLX-SUMWQHHRSA-N 0 0 318.442 3.068 10 30 DGEERN CC(C)(C)[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1O ZINC000408194867 434550214 /nfs/dbraw/zinc/55/02/14/434550214.db2.gz JUJBTWSSIUPIDW-DOTOQJQBSA-N 0 0 309.413 3.340 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1nc2c(s1)CCCCC2 ZINC000408230284 434555031 /nfs/dbraw/zinc/55/50/31/434555031.db2.gz AIBQGDPHQYMTDI-GHMZBOCLSA-N 0 0 304.419 3.226 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000408330183 434564144 /nfs/dbraw/zinc/56/41/44/434564144.db2.gz LHPUNNKTAHMZIS-WBMJQRKESA-N 0 0 307.397 3.469 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)OCC ZINC000368253245 434570930 /nfs/dbraw/zinc/57/09/30/434570930.db2.gz PQRDFZCXPHFYLC-FGTMMUONSA-N 0 0 317.429 3.394 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000368421790 434573689 /nfs/dbraw/zinc/57/36/89/434573689.db2.gz HJLIHOZHJPOTIH-HZPDHXFCSA-N 0 0 307.397 3.414 10 30 DGEERN N#Cc1cccc2c1CCN2C(=O)c1ccc2c(c1O)CCCC2 ZINC000408466011 434578721 /nfs/dbraw/zinc/57/87/21/434578721.db2.gz IESSMUARTXGZNX-UHFFFAOYSA-N 0 0 318.376 3.346 10 30 DGEERN Cn1cc([C@H]2CCCCN2c2ncc(C#N)cc2Cl)cn1 ZINC000408454737 434579254 /nfs/dbraw/zinc/57/92/54/434579254.db2.gz BRYSUIDBZWLEIQ-CQSZACIVSA-N 0 0 301.781 3.072 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](C)[C@@H](O)C3)c2c1 ZINC000408453447 434579280 /nfs/dbraw/zinc/57/92/80/434579280.db2.gz RSCSZFVDNDZJBE-UGSOOPFHSA-N 0 0 309.413 3.437 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)c1ncc(C#N)cc1Cl ZINC000439253727 434579643 /nfs/dbraw/zinc/57/96/43/434579643.db2.gz SVRSSWPVIPIPAS-UHFFFAOYSA-N 0 0 313.744 3.370 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000439265102 434583398 /nfs/dbraw/zinc/58/33/98/434583398.db2.gz JNXOAKUMPMHXBR-SJORKVTESA-N 0 0 315.413 3.140 10 30 DGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000329349767 295378433 /nfs/dbraw/zinc/37/84/33/295378433.db2.gz STGAUPKVFMNELM-ILXRZTDVSA-N 0 0 317.433 3.435 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000370712921 434618839 /nfs/dbraw/zinc/61/88/39/434618839.db2.gz ZQGHSCXSUDBVJB-MSOLQXFVSA-N 0 0 305.393 3.313 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1cscn1 ZINC000424121409 434628579 /nfs/dbraw/zinc/62/85/79/434628579.db2.gz HOYUJCNTRRDGNG-LBPRGKRZSA-N 0 0 321.475 3.125 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@@](C)(OC)C1 ZINC000424131129 434630471 /nfs/dbraw/zinc/63/04/71/434630471.db2.gz VTPQSRHEVHFWML-XJKSGUPXSA-N 0 0 322.478 3.038 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000410129629 434633778 /nfs/dbraw/zinc/63/37/78/434633778.db2.gz GEFKTMQYKSOSJM-JTQLQIEISA-N 0 0 322.206 3.410 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC000459542633 434599152 /nfs/dbraw/zinc/59/91/52/434599152.db2.gz AVDIRVWRAIOQAX-JLCFBVMHSA-N 0 0 320.458 3.180 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000439411607 434600575 /nfs/dbraw/zinc/60/05/75/434600575.db2.gz UATIIYPVGORODU-LBPRGKRZSA-N 0 0 322.405 3.497 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000370019148 434606488 /nfs/dbraw/zinc/60/64/88/434606488.db2.gz KGSHPFLHUKJTIS-CYBMUJFWSA-N 0 0 322.478 3.392 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC23CCOCC3)c1 ZINC000370134770 434608059 /nfs/dbraw/zinc/60/80/59/434608059.db2.gz YPXCDKSSWHWDCL-UHFFFAOYSA-N 0 0 316.401 3.428 10 30 DGEERN C=CCCOCCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000452601290 434657791 /nfs/dbraw/zinc/65/77/91/434657791.db2.gz WDULGUGKZDEKFS-KURKYZTESA-N 0 0 323.477 3.292 10 30 DGEERN C=CCC1(c2nc(Cc3ccc(F)cc3)no2)CCOCC1 ZINC000424225148 434661850 /nfs/dbraw/zinc/66/18/50/434661850.db2.gz ULXYQPIMJCQRFQ-UHFFFAOYSA-N 0 0 302.349 3.424 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CCCCC1 ZINC000410621509 434662084 /nfs/dbraw/zinc/66/20/84/434662084.db2.gz UCEYTXMPZROZHR-GVDBMIGSSA-N 0 0 321.461 3.308 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(OC)CC1 ZINC000424238799 434663108 /nfs/dbraw/zinc/66/31/08/434663108.db2.gz HALHDJNDEWWOEF-AWEZNQCLSA-N 0 0 322.478 3.038 10 30 DGEERN N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](c2nnc[nH]2)C1 ZINC000371271867 434663134 /nfs/dbraw/zinc/66/31/34/434663134.db2.gz WXIMOIWUDMZWAT-JTQLQIEISA-N 0 0 321.306 3.079 10 30 DGEERN C#CCOc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1 ZINC000371323811 434667838 /nfs/dbraw/zinc/66/78/38/434667838.db2.gz RBPAQHRBZLXOBT-UHFFFAOYSA-N 0 0 320.392 3.113 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000452679760 434676940 /nfs/dbraw/zinc/67/69/40/434676940.db2.gz KGNRGWXHHZQKJK-UHFFFAOYSA-N 0 0 322.368 3.198 10 30 DGEERN C=CCn1cc(CN[C@H](c2ccc(F)c(F)c2)C(C)C)nn1 ZINC000424295132 434682495 /nfs/dbraw/zinc/68/24/95/434682495.db2.gz MGZGWAMJWZQHNT-INIZCTEOSA-N 0 0 306.360 3.229 10 30 DGEERN C=CCCn1cc(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)nn1 ZINC000424573907 434746121 /nfs/dbraw/zinc/74/61/21/434746121.db2.gz TZMGDQIVFPAQDP-OAHLLOKOSA-N 0 0 312.417 3.304 10 30 DGEERN C=CCN(CC=C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000460192753 434748609 /nfs/dbraw/zinc/74/86/09/434748609.db2.gz LXBWMVUXGPRHBS-UHFFFAOYSA-N 0 0 313.361 3.052 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(-n3cccn3)c2)CCOCC1 ZINC000424581566 434749600 /nfs/dbraw/zinc/74/96/00/434749600.db2.gz GBVAHGOBDWGQNV-UHFFFAOYSA-N 0 0 311.385 3.184 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440852532 434749656 /nfs/dbraw/zinc/74/96/56/434749656.db2.gz IEQDQCCPOSPKRQ-NVXWUHKLSA-N 0 0 312.417 3.115 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440852533 434750648 /nfs/dbraw/zinc/75/06/48/434750648.db2.gz IEQDQCCPOSPKRQ-RDJZCZTQSA-N 0 0 312.417 3.115 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1Cc2ccc(Cl)cc2C1 ZINC000459767182 434710362 /nfs/dbraw/zinc/71/03/62/434710362.db2.gz PUMAYUCDGLEVMD-CYBMUJFWSA-N 0 0 306.837 3.469 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000452771756 434710804 /nfs/dbraw/zinc/71/08/04/434710804.db2.gz BDSYVTDUPUCUIR-UHFFFAOYSA-N 0 0 307.344 3.453 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000452775892 434711586 /nfs/dbraw/zinc/71/15/86/434711586.db2.gz PWZYJESXHDUXMA-UHFFFAOYSA-N 0 0 314.288 3.138 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(Cl)cc2)CCOCC1 ZINC000424530378 434733690 /nfs/dbraw/zinc/73/36/90/434733690.db2.gz GZRKJQKXDVRIMB-UHFFFAOYSA-N 0 0 307.821 3.372 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(OC)cc2)CCOCC1 ZINC000424568435 434743455 /nfs/dbraw/zinc/74/34/55/434743455.db2.gz KYQXXRNMGJSEIC-AWEZNQCLSA-N 0 0 303.402 3.245 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000452968080 434767626 /nfs/dbraw/zinc/76/76/26/434767626.db2.gz YTQFNWYEUUOIMD-XYPHTWIQSA-N 0 0 315.413 3.089 10 30 DGEERN C=CCC1(C(=O)NCCCOc2ccccc2C)CCOCC1 ZINC000424654034 434769050 /nfs/dbraw/zinc/76/90/50/434769050.db2.gz UCZRPKHUUDAWCD-UHFFFAOYSA-N 0 0 317.429 3.253 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000460385517 434756447 /nfs/dbraw/zinc/75/64/47/434756447.db2.gz HWHAZHCSFNZCFP-KBPBESRZSA-N 0 0 306.454 3.371 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000452990708 434772465 /nfs/dbraw/zinc/77/24/65/434772465.db2.gz ZCOJTWZDWPTTAM-GFCCVEGCSA-N 0 0 300.358 3.163 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](OCCC)CC2)CCOCC1 ZINC000424663986 434774748 /nfs/dbraw/zinc/77/47/48/434774748.db2.gz OAQKFZNRUOXRNP-INIZCTEOSA-N 0 0 309.450 3.167 10 30 DGEERN C=CC[C@H](C)NC(=O)Cc1noc2ccc(Br)cc12 ZINC000424678025 434777588 /nfs/dbraw/zinc/77/75/88/434777588.db2.gz RCQYOTACKPSDRB-VIFPVBQESA-N 0 0 323.190 3.214 10 30 DGEERN C=CCC1(C(=O)NC[C@H](c2cccnc2)C(C)C)CCOCC1 ZINC000424698719 434783315 /nfs/dbraw/zinc/78/33/15/434783315.db2.gz AWZVXFSTJCHOFQ-KRWDZBQOSA-N 0 0 316.445 3.310 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(OC)c(Cl)c2)CCOCC1 ZINC000424743692 434792142 /nfs/dbraw/zinc/79/21/42/434792142.db2.gz WFDLQIIWASKMQV-UHFFFAOYSA-N 0 0 323.820 3.338 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000424751794 434793934 /nfs/dbraw/zinc/79/39/34/434793934.db2.gz VUJGGIPPYGFMSH-JKSUJKDBSA-N 0 0 322.399 3.429 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000424752654 434796547 /nfs/dbraw/zinc/79/65/47/434796547.db2.gz KXLNFLWFSWDYOV-CYBMUJFWSA-N 0 0 318.373 3.145 10 30 DGEERN CC#CCCNC(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419479546 434797216 /nfs/dbraw/zinc/79/72/16/434797216.db2.gz LRIKLNOPIZCZGL-HNNXBMFYSA-N 0 0 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3.323 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000476281955 435229621 /nfs/dbraw/zinc/22/96/21/435229621.db2.gz ZIAZRWHMXMGPAN-QGZVFWFLSA-N 0 0 306.381 3.428 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000582512050 435240740 /nfs/dbraw/zinc/24/07/40/435240740.db2.gz QECWYCAJCOVETE-NSHDSACASA-N 0 0 319.355 4.000 10 30 DGEERN CC(=O)N1CCC(CNc2cccc(C(F)F)c2C#N)CC1 ZINC000562136281 435255253 /nfs/dbraw/zinc/25/52/53/435255253.db2.gz JZLBTVMDPGJZRU-UHFFFAOYSA-N 0 0 307.344 3.166 10 30 DGEERN C=CCCCCCNC(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000563370647 435266817 /nfs/dbraw/zinc/26/68/17/435266817.db2.gz XFVDXLJDTOVGDF-UHFFFAOYSA-N 0 0 317.433 3.233 10 30 DGEERN CC#CCNC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000534205684 435270829 /nfs/dbraw/zinc/27/08/29/435270829.db2.gz TYDIAOHEIHRFEU-IBGZPJMESA-N 0 0 322.408 3.416 10 30 DGEERN C=CCCCCCNC(=O)N(CCO)[C@@H]1CCc2ccccc21 ZINC000565180034 435276695 /nfs/dbraw/zinc/27/66/95/435276695.db2.gz ONCIQXBFMJBLOK-GOSISDBHSA-N 0 0 316.445 3.424 10 30 DGEERN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)C[C@H](C)C#N ZINC000477762022 435279104 /nfs/dbraw/zinc/27/91/04/435279104.db2.gz HASMMMIZQRQGJB-RNCFNFMXSA-N 0 0 315.200 3.299 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000565991284 435283153 /nfs/dbraw/zinc/28/31/53/435283153.db2.gz NGQXWARBTXZJPW-HIFRSBDPSA-N 0 0 305.422 3.192 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)cc1SC ZINC000566064774 435283230 /nfs/dbraw/zinc/28/32/30/435283230.db2.gz HAWJRLMCBONHSV-JSGCOSHPSA-N 0 0 306.431 3.430 10 30 DGEERN C=C(C)Cn1c(-c2c(C)nc3ccccn32)nnc1N(C)C1CC1 ZINC000566218165 435284354 /nfs/dbraw/zinc/28/43/54/435284354.db2.gz ISSSKSYLJPVUQY-UHFFFAOYSA-N 0 0 322.416 3.076 10 30 DGEERN C=CCCCCCNC(=O)NCc1cn2cc(C)ccc2n1 ZINC000566432953 435286756 /nfs/dbraw/zinc/28/67/56/435286756.db2.gz NBWYTPHPSJASGG-UHFFFAOYSA-N 0 0 300.406 3.188 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000477973115 435287285 /nfs/dbraw/zinc/28/72/85/435287285.db2.gz FSCWBOWQOFSIDJ-SCTDSRPQSA-N 0 0 309.413 3.447 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccnc1-c1ccccc1 ZINC000567380611 435313086 /nfs/dbraw/zinc/31/30/86/435313086.db2.gz JSWVRUUCQRBVSO-RDJZCZTQSA-N 0 0 323.396 3.461 10 30 DGEERN C=CCCCCCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000568171867 435401813 /nfs/dbraw/zinc/40/18/13/435401813.db2.gz YTURUELZGVEKEU-UHFFFAOYSA-N 0 0 306.362 3.145 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H](C(=O)NCCCC)C1 ZINC000568188464 435403200 /nfs/dbraw/zinc/40/32/00/435403200.db2.gz HZCPHASHEDVMIX-INIZCTEOSA-N 0 0 323.481 3.071 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](c3cc(C)ccn3)C2)CCOCC1 ZINC000568225826 435410915 /nfs/dbraw/zinc/41/09/15/435410915.db2.gz QVUSTQJMTSXINX-MRXNPFEDSA-N 0 0 314.429 3.079 10 30 DGEERN C=CCCS(=O)(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000536328398 435377806 /nfs/dbraw/zinc/37/78/06/435377806.db2.gz GOSGMGVTDVDXDD-KRWDZBQOSA-N 0 0 307.459 3.380 10 30 DGEERN CCc1nnc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c(C#N)c1CC ZINC000480554585 435383591 /nfs/dbraw/zinc/38/35/91/435383591.db2.gz NEXQRIIATDULKP-JOYOIKCWSA-N 0 0 312.339 3.250 10 30 DGEERN C=CCOc1ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000480621190 435386118 /nfs/dbraw/zinc/38/61/18/435386118.db2.gz JEKQIMNSJVGOML-IBGZPJMESA-N 0 0 311.425 3.287 10 30 DGEERN C=C(C)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000514707519 435428747 /nfs/dbraw/zinc/42/87/47/435428747.db2.gz QHVHQPXLABFNTG-FQEVSTJZSA-N 0 0 320.392 3.253 10 30 DGEERN COc1ccc2cc(CN(C)c3nc(C)cc(C#N)n3)ccc2c1 ZINC000569132422 435507717 /nfs/dbraw/zinc/50/77/17/435507717.db2.gz BOPDMHOYBYJWNR-UHFFFAOYSA-N 0 0 318.380 3.455 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H](CO)[C@@H](C)CCC)c1 ZINC000569247585 435515467 /nfs/dbraw/zinc/51/54/67/435515467.db2.gz BTFJQLMOVNPWIE-XJKSGUPXSA-N 0 0 306.406 3.170 10 30 DGEERN CC#CCCNC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000483421038 435518268 /nfs/dbraw/zinc/51/82/68/435518268.db2.gz SXNOMGRLVIDYBE-UHFFFAOYSA-N 0 0 312.413 3.013 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000538143572 435485635 /nfs/dbraw/zinc/48/56/35/435485635.db2.gz FRNHPUOXSNLOGS-LBPRGKRZSA-N 0 0 303.362 3.263 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCCc1ccccc1 ZINC000485758340 435578434 /nfs/dbraw/zinc/57/84/34/435578434.db2.gz PMRNAQUALQDBIP-QZTJIDSGSA-N 0 0 301.430 3.449 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000517192778 435580726 /nfs/dbraw/zinc/58/07/26/435580726.db2.gz YFWPYBFHJJKCQU-GOSISDBHSA-N 0 0 304.409 3.467 10 30 DGEERN N#CCC1CCN(C(=O)CCc2cc3ccccc3[nH]c2=O)CC1 ZINC000541048540 435634217 /nfs/dbraw/zinc/63/42/17/435634217.db2.gz VZMKYQKDSLAGBA-UHFFFAOYSA-N 0 0 323.396 3.025 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000486456509 435599438 /nfs/dbraw/zinc/59/94/38/435599438.db2.gz DMCIQQPAGYGLMM-YVWKXTFCSA-N 0 0 313.441 3.378 10 30 DGEERN C=CC[C@H](CO)CNC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000540422112 435599610 /nfs/dbraw/zinc/59/96/10/435599610.db2.gz BBEQEEGEILSWCR-RDJZCZTQSA-N 0 0 319.445 3.268 10 30 DGEERN C=C[C@@H]1CCCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000489498160 435649179 /nfs/dbraw/zinc/64/91/79/435649179.db2.gz PVWAZAMTDXBZHB-LLVKDONJSA-N 0 0 315.442 3.426 10 30 DGEERN C=CCn1c(S[C@H](C(C)=O)C(C)C)nnc1-c1cccnc1 ZINC000570800001 435652268 /nfs/dbraw/zinc/65/22/68/435652268.db2.gz CLMOOOVLPOUVCN-AWEZNQCLSA-N 0 0 316.430 3.232 10 30 DGEERN Cc1nc(-c2ccc(CNc3ccncc3C#N)s2)cs1 ZINC000548152260 435673478 /nfs/dbraw/zinc/67/34/78/435673478.db2.gz DTDODTAWHGKSCA-UHFFFAOYSA-N 0 0 312.423 3.481 10 30 DGEERN Cc1cc(Br)cc(C)c1CNc1ccncc1C#N ZINC000548480113 435696260 /nfs/dbraw/zinc/69/62/60/435696260.db2.gz OTRPTENNMKYZIX-UHFFFAOYSA-N 0 0 316.202 3.367 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000519708934 435701724 /nfs/dbraw/zinc/70/17/24/435701724.db2.gz SPVRTEVGKZMECC-INWMFGNUSA-N 0 0 306.381 3.085 10 30 DGEERN C=CCN(CC=C)C(=O)CNc1cnn(CC(C)C)c1C(C)C ZINC000572588621 435842571 /nfs/dbraw/zinc/84/25/71/435842571.db2.gz VXZDACGFMXSWPV-UHFFFAOYSA-N 0 0 318.465 3.275 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000572871747 435878679 /nfs/dbraw/zinc/87/86/79/435878679.db2.gz UJUNLPVKSDKAMA-YESZJQIVSA-N 0 0 300.402 3.028 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330229253 303512488 /nfs/dbraw/zinc/51/24/88/303512488.db2.gz PZLYIGFQDNIADP-AEGPPILISA-N 0 0 315.417 3.028 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000546708590 314323778 /nfs/dbraw/zinc/32/37/78/314323778.db2.gz DOGDKGQWXILTQP-NSHDSACASA-N 0 0 309.316 3.266 10 30 DGEERN N#Cc1cc(Cl)cc(Br)c1NC[C@@H](O)C1CC1 ZINC000547760647 314392803 /nfs/dbraw/zinc/39/28/03/314392803.db2.gz QRTOYUKLFFEUAU-LLVKDONJSA-N 0 0 315.598 3.157 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000562445629 315020867 /nfs/dbraw/zinc/02/08/67/315020867.db2.gz YYYGMENTLMCHNN-DLBZAZTESA-N 0 0 310.784 3.426 10 30 DGEERN CSc1cccnc1-c1noc(Cc2cccc(C#N)c2)n1 ZINC000565401709 315258668 /nfs/dbraw/zinc/25/86/68/315258668.db2.gz MDDKXYUUETUYJA-UHFFFAOYSA-N 0 0 308.366 3.316 10 30 DGEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)cnn1-c1ccc(C)cc1 ZINC000568713580 315530910 /nfs/dbraw/zinc/53/09/10/315530910.db2.gz BJTCDIMRSUXEBP-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccncc2C#N)cc1 ZINC000568959981 315547954 /nfs/dbraw/zinc/54/79/54/315547954.db2.gz ADSJKUMJARIONT-LPHOPBHVSA-N 0 0 307.397 3.263 10 30 DGEERN CC1(C)C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000189030647 323432321 /nfs/dbraw/zinc/43/23/21/323432321.db2.gz ICIKVZLKKSCUEE-OAHLLOKOSA-N 0 0 312.413 3.052 10 30 DGEERN Cc1c(Br)cccc1C(=O)Nc1cc(C#N)ccn1 ZINC000436008923 533709099 /nfs/dbraw/zinc/70/90/99/533709099.db2.gz GHQAPTPJMGQKSC-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CSCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000066394365 331504075 /nfs/dbraw/zinc/50/40/75/331504075.db2.gz BCFDUWDRMHFLNF-SNVBAGLBSA-N 0 0 303.214 3.427 10 30 DGEERN C=C(C)CN(C)C(=O)Cc1cc(Br)ccc1OC ZINC000180432436 331569138 /nfs/dbraw/zinc/56/91/38/331569138.db2.gz JHIVWARGYBVMTM-UHFFFAOYSA-N 0 0 312.207 3.035 10 30 DGEERN N#CC1(NC(=O)C/C=C\c2cccc(F)c2)CCSCC1 ZINC000255085356 331700822 /nfs/dbraw/zinc/70/08/22/331700822.db2.gz ANXXDLFKXXRNPC-RQOWECAXSA-N 0 0 304.390 3.135 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H](CO)CC2CCCC2)c1 ZINC000558746265 331941071 /nfs/dbraw/zinc/94/10/71/331941071.db2.gz MZBRONUOIRJKQB-MRXNPFEDSA-N 0 0 318.417 3.314 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CSC1(C)C ZINC000558812656 331945477 /nfs/dbraw/zinc/94/54/77/331945477.db2.gz BMGNRDZAHHHVKL-HNNXBMFYSA-N 0 0 304.459 3.321 10 30 DGEERN C=CCCCNC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000518306103 332010140 /nfs/dbraw/zinc/01/01/40/332010140.db2.gz JCFFLKSICRMCLC-ZDUSSCGKSA-N 0 0 316.323 3.004 10 30 DGEERN C=CCCCCS(=O)(=O)Cc1nc(-c2cccc(C)c2)no1 ZINC000569571704 332142176 /nfs/dbraw/zinc/14/21/76/332142176.db2.gz GTAKSNVVRVLIQJ-UHFFFAOYSA-N 0 0 320.414 3.316 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000533832512 332216285 /nfs/dbraw/zinc/21/62/85/332216285.db2.gz BAFUGKPIABMEGB-LBPRGKRZSA-N 0 0 312.360 3.260 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000292863485 335097126 /nfs/dbraw/zinc/09/71/26/335097126.db2.gz SEFDNZNXGVBEGA-CYBMUJFWSA-N 0 0 308.447 3.433 10 30 DGEERN CC#CCN(C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000521103062 332279255 /nfs/dbraw/zinc/27/92/55/332279255.db2.gz UYFAOJBQHRUFSG-UHFFFAOYSA-N 0 0 306.431 3.136 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(Cl)s1 ZINC000425587544 335107393 /nfs/dbraw/zinc/10/73/93/335107393.db2.gz RVQHMPSFVOZULV-JQWIXIFHSA-N 0 0 314.838 3.134 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000560845370 332390418 /nfs/dbraw/zinc/39/04/18/332390418.db2.gz BUKFJPYSILPGRS-GJZGRUSLSA-N 0 0 324.371 3.197 10 30 DGEERN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000562905005 332639334 /nfs/dbraw/zinc/63/93/34/332639334.db2.gz HBXAJJLLFOQKLX-DOTOQJQBSA-N 0 0 324.428 3.340 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000185192890 335118211 /nfs/dbraw/zinc/11/82/11/335118211.db2.gz ULOIELZLJYDUIU-ZDUSSCGKSA-N 0 0 312.417 3.103 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000580316102 333104719 /nfs/dbraw/zinc/10/47/19/333104719.db2.gz SMPSMIVXZCZULG-YJBOKZPZSA-N 0 0 312.413 3.116 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OC(F)F ZINC000563884274 335123780 /nfs/dbraw/zinc/12/37/80/335123780.db2.gz HBSNKHHYFHNYDL-JQWIXIFHSA-N 0 0 312.316 3.001 10 30 DGEERN CC#CCCNC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000497160408 333184594 /nfs/dbraw/zinc/18/45/94/333184594.db2.gz JNUCOBCBAAUGSY-UHFFFAOYSA-N 0 0 317.389 3.408 10 30 DGEERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185703480 333212386 /nfs/dbraw/zinc/21/23/86/333212386.db2.gz AHCSXHJITUWPDB-DLBZAZTESA-N 0 0 317.433 3.080 10 30 DGEERN C=C(Cl)CNC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364057799 333229237 /nfs/dbraw/zinc/22/92/37/333229237.db2.gz QWHRBAKCJISQSC-UHFFFAOYSA-N 0 0 301.777 3.300 10 30 DGEERN C=CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000499255283 333235504 /nfs/dbraw/zinc/23/55/04/333235504.db2.gz MYVHXITXQKLUSK-ZWKOTPCHSA-N 0 0 303.446 3.480 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000295195609 335130782 /nfs/dbraw/zinc/13/07/82/335130782.db2.gz RQSGASSUCLBWEU-OIISXLGYSA-N 0 0 323.458 3.181 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1coc2c1C(=O)CCC2 ZINC000295186114 335131118 /nfs/dbraw/zinc/13/11/18/335131118.db2.gz CLFSQXDXJWIWPH-OAHLLOKOSA-N 0 0 321.376 3.163 10 30 DGEERN C=CC[C@H](CO)CNC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000497772393 333289327 /nfs/dbraw/zinc/28/93/27/333289327.db2.gz FBRAKMGIQMQFSK-ZWKOTPCHSA-N 0 0 303.446 3.192 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCc1ccc(CC(C)C)cc1 ZINC000185726999 333370680 /nfs/dbraw/zinc/37/06/80/333370680.db2.gz DADLQSXNYQKCSW-SFHVURJKSA-N 0 0 303.446 3.261 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000296461127 335142349 /nfs/dbraw/zinc/14/23/49/335142349.db2.gz KYGXESGUMQCOAC-SJORKVTESA-N 0 0 314.429 3.061 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000185731807 335147355 /nfs/dbraw/zinc/14/73/55/335147355.db2.gz HEDSRGHFQZJQEO-KGLIPLIRSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000185718638 335148482 /nfs/dbraw/zinc/14/84/82/335148482.db2.gz RFWXGIWMKNJPKN-CQSZACIVSA-N 0 0 323.483 3.222 10 30 DGEERN C=CCCCCCNC(=O)C1CCN(C(=O)N(CC)CC)CC1 ZINC000563357295 333595597 /nfs/dbraw/zinc/59/55/97/333595597.db2.gz SXAAVJCFBKFZBD-UHFFFAOYSA-N 0 0 323.481 3.023 10 30 DGEERN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180596352 533713394 /nfs/dbraw/zinc/71/33/94/533713394.db2.gz JAYWACFFSSJLDR-CYBMUJFWSA-N 0 0 322.364 3.226 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000563678011 334341349 /nfs/dbraw/zinc/34/13/49/334341349.db2.gz HZCFYHSHCXBZLV-QMMMGPOBSA-N 0 0 315.251 3.036 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 ZINC000535040333 334358226 /nfs/dbraw/zinc/35/82/26/334358226.db2.gz NQFXQYUXMNFOSU-INIZCTEOSA-N 0 0 324.428 3.474 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000102058298 334375093 /nfs/dbraw/zinc/37/50/93/334375093.db2.gz WXHXJVZFDFYLKD-HNNXBMFYSA-N 0 0 315.421 3.034 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532371942 336243914 /nfs/dbraw/zinc/24/39/14/336243914.db2.gz UGYKRDKGMFNBCY-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN N#CCc1ccnc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000532434702 336247093 /nfs/dbraw/zinc/24/70/93/336247093.db2.gz UBYDUFGCNUVBOE-JSGCOSHPSA-N 0 0 313.307 3.168 10 30 DGEERN C=CCc1cc(CNC(=O)N2[C@H](C)C[C@H]2C)cc(OC)c1OC ZINC000526843715 336273144 /nfs/dbraw/zinc/27/31/44/336273144.db2.gz BRINFUSHFRFXIA-CHWSQXEVSA-N 0 0 318.417 3.125 10 30 DGEERN C=CCO[C@H]1CCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000302187395 336353059 /nfs/dbraw/zinc/35/30/59/336353059.db2.gz USBAISPLBQLQEV-LBPRGKRZSA-N 0 0 315.442 3.351 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@@H](C)c2ccc3ncsc3c2)C1=O ZINC000514663844 336396058 /nfs/dbraw/zinc/39/60/58/336396058.db2.gz KJBBAPAHNXPWLR-GXFFZTMASA-N 0 0 315.398 3.244 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000358209585 336617011 /nfs/dbraw/zinc/61/70/11/336617011.db2.gz HZTQYAFXEORMBX-KRWDZBQOSA-N 0 0 323.364 3.088 10 30 DGEERN C=CCN(c1nnc(CCC(C)C)n1C[C@@H]1CCCO1)C1CC1 ZINC000359203337 336662722 /nfs/dbraw/zinc/66/27/22/336662722.db2.gz LEXGGHDUHDGWKE-INIZCTEOSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000372542202 336934195 /nfs/dbraw/zinc/93/41/95/336934195.db2.gz FMMIPVWCARLCGW-QGZVFWFLSA-N 0 0 316.445 3.015 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC2(CCC2)C1 ZINC000582605713 337112807 /nfs/dbraw/zinc/11/28/07/337112807.db2.gz PMBSKEQCTKRDDP-UHFFFAOYSA-N 0 0 315.446 3.276 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)cc1 ZINC000185195644 337202553 /nfs/dbraw/zinc/20/25/53/337202553.db2.gz VOXHKZCXNQBRRK-GJZGRUSLSA-N 0 0 301.390 3.225 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000582961021 337218826 /nfs/dbraw/zinc/21/88/26/337218826.db2.gz LUZHTIRRSDGTDV-WFASDCNBSA-N 0 0 322.836 3.465 10 30 DGEERN C#CCCCNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190905359 337291314 /nfs/dbraw/zinc/29/13/14/337291314.db2.gz VLEVLGMQMHBOQW-CYBMUJFWSA-N 0 0 306.356 3.267 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000583791320 337333574 /nfs/dbraw/zinc/33/35/74/337333574.db2.gz FBAXEZXPHOLXEL-DQPZFDDXSA-N 0 0 312.417 3.258 10 30 DGEERN C=CC(F)(F)C(F)(F)C(F)(F)I ZINC000584620137 337372060 /nfs/dbraw/zinc/37/20/60/337372060.db2.gz PHHATTKTNVYZJD-UHFFFAOYSA-N 0 0 303.971 3.471 10 30 DGEERN C=CCCOc1cc(=O)n(C)cc1-c1cc([N+](=O)[O-])ccc1F ZINC000584622130 337375036 /nfs/dbraw/zinc/37/50/36/337375036.db2.gz VYHFWXRMFHSZIS-UHFFFAOYSA-N 0 0 318.304 3.055 10 30 DGEERN CO[C@H]1CC[C@H](Nc2ncc(C#Cc3ccccc3)cn2)CC1 ZINC000584629501 337376536 /nfs/dbraw/zinc/37/65/36/337376536.db2.gz WICDHYZGLGGJKC-IYARVYRRSA-N 0 0 307.397 3.246 10 30 DGEERN N#CNC(=NCc1c(F)cccc1Cl)Oc1ccccc1 ZINC000584655513 337377809 /nfs/dbraw/zinc/37/78/09/337377809.db2.gz NNIMEKLOLLYMJT-UHFFFAOYSA-N 0 0 303.724 3.485 10 30 DGEERN C[C@@](C#N)(NC(=O)CSCc1cccc(Cl)c1)C1CC1 ZINC000049048348 337437156 /nfs/dbraw/zinc/43/71/56/337437156.db2.gz UGJJOUHKUCQRED-HNNXBMFYSA-N 0 0 308.834 3.382 10 30 DGEERN C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCOCC1 ZINC000161204402 337571785 /nfs/dbraw/zinc/57/17/85/337571785.db2.gz NJNRPQGWSWDEJK-PBHICJAKSA-N 0 0 300.402 3.210 10 30 DGEERN C=CCCCCCNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000571819160 337578056 /nfs/dbraw/zinc/57/80/56/337578056.db2.gz QUAFFCWQHRANHR-HOCLYGCPSA-N 0 0 312.479 3.087 10 30 DGEERN C=CCCCCCN1C(=O)N[C@@H](c2ccc(OC)c(F)c2)C1=O ZINC000571937208 337582805 /nfs/dbraw/zinc/58/28/05/337582805.db2.gz OUYUUVADWYALQV-HNNXBMFYSA-N 0 0 320.364 3.174 10 30 DGEERN CC(C)COc1ccc(C(C)(C)C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000161718907 337595872 /nfs/dbraw/zinc/59/58/72/337595872.db2.gz PYQPCXQPRDKXPJ-QGZVFWFLSA-N 0 0 314.429 3.417 10 30 DGEERN C=CCOCCCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000080317019 337669458 /nfs/dbraw/zinc/66/94/58/337669458.db2.gz TVMCFUMEIGOFIE-UHFFFAOYSA-N 0 0 321.392 3.178 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000527178887 337735406 /nfs/dbraw/zinc/73/54/06/337735406.db2.gz SZITXDBHCLHJRC-IUODEOHRSA-N 0 0 320.399 3.368 10 30 DGEERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000108840512 337842372 /nfs/dbraw/zinc/84/23/72/337842372.db2.gz ISODKCJTYHEJNZ-MLGOLLRUSA-N 0 0 300.402 3.170 10 30 DGEERN C=CCN1CC[C@@H](Nc2cccc(C(F)F)c2Cl)C1=O ZINC000537508483 337939080 /nfs/dbraw/zinc/93/90/80/337939080.db2.gz PUYMOMMTQZNOTL-LLVKDONJSA-N 0 0 300.736 3.476 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1csnn1 ZINC000516419811 338012331 /nfs/dbraw/zinc/01/23/31/338012331.db2.gz JMAPXNPKXPXYPD-LBPRGKRZSA-N 0 0 308.451 3.377 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000501316750 340078501 /nfs/dbraw/zinc/07/85/01/340078501.db2.gz NLMHGGPDRSRRIK-UXLLHSPISA-N 0 0 317.429 3.125 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCC1(c2cccc(C)c2)CCCC1 ZINC000503892883 340135885 /nfs/dbraw/zinc/13/58/85/340135885.db2.gz MJCLJUJLDIZYSP-QGZVFWFLSA-N 0 0 316.445 3.043 10 30 DGEERN C=CCCc1ccccc1NC(=O)C1CN(CC(F)(F)F)C1 ZINC000504288391 340144490 /nfs/dbraw/zinc/14/44/90/340144490.db2.gz DWGAKRKWPYGMOI-UHFFFAOYSA-N 0 0 312.335 3.238 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC(C)(C)C(=O)NCC ZINC000505001320 340158356 /nfs/dbraw/zinc/15/83/56/340158356.db2.gz RKYGWYHXVATABP-UHFFFAOYSA-N 0 0 317.433 3.089 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000505001061 340158414 /nfs/dbraw/zinc/15/84/14/340158414.db2.gz NXQJQHIXDNUPKS-DZGCQCFKSA-N 0 0 316.401 3.221 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000505647062 340174262 /nfs/dbraw/zinc/17/42/62/340174262.db2.gz KHTSGHYPZWGHOZ-KBPBESRZSA-N 0 0 300.402 3.001 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N(CCC)CCC ZINC000505866192 340180123 /nfs/dbraw/zinc/18/01/23/340180123.db2.gz MWDRURVYTGFYAL-UHFFFAOYSA-N 0 0 302.418 3.392 10 30 DGEERN C=CCNC(=O)N(CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000507053267 340206277 /nfs/dbraw/zinc/20/62/77/340206277.db2.gz CJKALXDCMAIJFL-CQSZACIVSA-N 0 0 303.406 3.011 10 30 DGEERN C=C(C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C ZINC000507846428 340234034 /nfs/dbraw/zinc/23/40/34/340234034.db2.gz WCTZMDNXELJELB-UHFFFAOYSA-N 0 0 321.222 3.257 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000508465224 340244182 /nfs/dbraw/zinc/24/41/82/340244182.db2.gz PDIHEUSCLPFHET-HOTGVXAUSA-N 0 0 323.444 3.461 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)CCOCC ZINC000508826394 340253820 /nfs/dbraw/zinc/25/38/20/340253820.db2.gz IMQRUYIYMMIKLO-UHFFFAOYSA-N 0 0 318.396 3.051 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000508826400 340253861 /nfs/dbraw/zinc/25/38/61/340253861.db2.gz IPNHFDYGUVOYDK-KBPBESRZSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC)CC1 ZINC000508910133 340255641 /nfs/dbraw/zinc/25/56/41/340255641.db2.gz ACTYMTWLTBXHCT-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c(-c2cccn2C)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000508923298 340255783 /nfs/dbraw/zinc/25/57/83/340255783.db2.gz UFROBXGQJRUSMY-HUUCEWRRSA-N 0 0 311.433 3.096 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N(C)CCCC ZINC000508937002 340255999 /nfs/dbraw/zinc/25/59/99/340255999.db2.gz VDCHZMLZBKUCAA-UHFFFAOYSA-N 0 0 314.433 3.322 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N(C)CC(=C)C ZINC000508938157 340256010 /nfs/dbraw/zinc/25/60/10/340256010.db2.gz HIMQQOJFNVKFMS-UHFFFAOYSA-N 0 0 312.417 3.098 10 30 DGEERN C=CCNC(=O)[C@@H](C)Nc1cc(Cc2ccccn2)ccc1C ZINC000508989142 340257144 /nfs/dbraw/zinc/25/71/44/340257144.db2.gz ZLRWNRIZHZROGI-OAHLLOKOSA-N 0 0 309.413 3.083 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173921110 340377823 /nfs/dbraw/zinc/37/78/23/340377823.db2.gz CBKZYACWKIHTRW-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000173921144 340377855 /nfs/dbraw/zinc/37/78/55/340377855.db2.gz CBKZYACWKIHTRW-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(C)C)cc1F ZINC000517027377 340461922 /nfs/dbraw/zinc/46/19/22/340461922.db2.gz ZNISXLXZOVKIMQ-LRDDRELGSA-N 0 0 322.380 3.326 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC000517123610 340464270 /nfs/dbraw/zinc/46/42/70/340464270.db2.gz ULMYJZLABZYKTL-UPJWGTAASA-N 0 0 324.519 3.362 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC000517204425 340465403 /nfs/dbraw/zinc/46/54/03/340465403.db2.gz VHAOYBNKGVNMFA-HIFRSBDPSA-N 0 0 311.433 3.459 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000185348412 340500239 /nfs/dbraw/zinc/50/02/39/340500239.db2.gz KGUMDEWNTLZMBT-JYJNAYRXSA-N 0 0 308.466 3.132 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCC(=O)OC)c1cccc(F)c1 ZINC000185890909 340506375 /nfs/dbraw/zinc/50/63/75/340506375.db2.gz YJRBYKKNRMWFQR-CYBMUJFWSA-N 0 0 307.365 3.324 10 30 DGEERN Cn1c(=O)c2ccsc2nc1SCC#Cc1ccccc1 ZINC000191508801 340555064 /nfs/dbraw/zinc/55/50/64/340555064.db2.gz LKMOYHQOJJGSKI-UHFFFAOYSA-N 0 0 312.419 3.139 10 30 DGEERN CC#CCCCC(=O)N[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193860219 340584809 /nfs/dbraw/zinc/58/48/09/340584809.db2.gz XMFPRHCHKJEXIU-MRXNPFEDSA-N 0 0 321.804 3.254 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000528939740 340740105 /nfs/dbraw/zinc/74/01/05/340740105.db2.gz RNGRIHOCTVICPD-DVZHBHJUSA-N 0 0 304.390 3.185 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000529201708 340748307 /nfs/dbraw/zinc/74/83/07/340748307.db2.gz ZXLBIORHERCFPO-HOTGVXAUSA-N 0 0 302.418 3.247 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000529251773 340750647 /nfs/dbraw/zinc/75/06/47/340750647.db2.gz CJGYWUHLSXDDRH-GHMZBOCLSA-N 0 0 315.339 3.250 10 30 DGEERN C=CC(C)(C)CCN1C(=O)[C@@H](Cc2ccccc2)N(C)C1=O ZINC000530196347 340782294 /nfs/dbraw/zinc/78/22/94/340782294.db2.gz NHCQTVZGSRJIRU-OAHLLOKOSA-N 0 0 300.402 3.094 10 30 DGEERN CC#CCCNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000541748226 340982536 /nfs/dbraw/zinc/98/25/36/340982536.db2.gz HMWIUVIBEILDCQ-UHFFFAOYSA-N 0 0 320.439 3.166 10 30 DGEERN Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)n(C(C)(C)C)n1 ZINC000541879724 340986967 /nfs/dbraw/zinc/98/69/67/340986967.db2.gz IFNITCZOLBLJAG-UHFFFAOYSA-N 0 0 303.410 3.104 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1O ZINC000130171779 341004508 /nfs/dbraw/zinc/00/45/08/341004508.db2.gz VLCVSSXHPPRBTO-UHFFFAOYSA-N 0 0 312.325 3.129 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000542699109 341017824 /nfs/dbraw/zinc/01/78/24/341017824.db2.gz GFCMRIVRBRUXGG-JFIYKMOQSA-N 0 0 316.445 3.182 10 30 DGEERN CC#CCCNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000544583533 341087299 /nfs/dbraw/zinc/08/72/99/341087299.db2.gz XTVLUXVEFIZJGP-GFCCVEGCSA-N 0 0 308.219 3.472 10 30 DGEERN CC(C)(C#N)NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000544615311 341089212 /nfs/dbraw/zinc/08/92/12/341089212.db2.gz LLSMSXLWTLOZCN-UHFFFAOYSA-N 0 0 314.819 3.135 10 30 DGEERN C=CCC[C@H](NC(=O)c1cnn2ccc(C)nc12)c1ccccc1 ZINC000133820356 341191164 /nfs/dbraw/zinc/19/11/64/341191164.db2.gz QLEIAIOZXYHZJX-KRWDZBQOSA-N 0 0 320.396 3.475 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000076491972 341208355 /nfs/dbraw/zinc/20/83/55/341208355.db2.gz BGFKPTIVXLGMCN-KRWDZBQOSA-N 0 0 300.402 3.386 10 30 DGEERN C=CC[C@H](CO)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 ZINC000547405089 341211596 /nfs/dbraw/zinc/21/15/96/341211596.db2.gz FOANHWLTVXGGKJ-OAHLLOKOSA-N 0 0 309.837 3.451 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000077862158 341232002 /nfs/dbraw/zinc/23/20/02/341232002.db2.gz KCVPXVRTXIHFJK-UHFFFAOYSA-N 0 0 315.200 3.357 10 30 DGEERN CC#CCNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000135965654 341249090 /nfs/dbraw/zinc/24/90/90/341249090.db2.gz RZLZJGXHXKMALE-UHFFFAOYSA-N 0 0 314.335 3.377 10 30 DGEERN N#C[C@H](NC(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000136044308 341251471 /nfs/dbraw/zinc/25/14/71/341251471.db2.gz HMEVQGAJDOCLEJ-JTQLQIEISA-N 0 0 313.582 3.134 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC000548951669 341282099 /nfs/dbraw/zinc/28/20/99/341282099.db2.gz QRDJDHIXWJYJFD-VXGBXAGGSA-N 0 0 304.419 3.054 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC ZINC000549436666 341294601 /nfs/dbraw/zinc/29/46/01/341294601.db2.gz GPWBECGEPCSPIJ-UHFFFAOYSA-N 0 0 314.389 3.096 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000081521963 341294818 /nfs/dbraw/zinc/29/48/18/341294818.db2.gz AWSYCHCPNBQNRY-GFCCVEGCSA-N 0 0 324.409 3.401 10 30 DGEERN CCc1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 ZINC000549509025 341295913 /nfs/dbraw/zinc/29/59/13/341295913.db2.gz OXHQBCHBEDVSFR-UHFFFAOYSA-N 0 0 309.417 3.019 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC000549657070 341300062 /nfs/dbraw/zinc/30/00/62/341300062.db2.gz VWSAUPSLBKBAMX-JKSUJKDBSA-N 0 0 320.481 3.304 10 30 DGEERN C=CCCCN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCOC1 ZINC000550049465 341309103 /nfs/dbraw/zinc/30/91/03/341309103.db2.gz QZKWUXAYEGSVQR-HNNXBMFYSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249328771 341396546 /nfs/dbraw/zinc/39/65/46/341396546.db2.gz OLOLXFAWBBCOGK-QWHCGFSZSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1cccc(OC)c1F ZINC000090407575 341415285 /nfs/dbraw/zinc/41/52/85/341415285.db2.gz LOOKDEUBDOVUFP-UHFFFAOYSA-N 0 0 315.344 3.329 10 30 DGEERN C=CCOc1ccc(CN[C@H](CC)C(=O)OC(C)(C)C)cc1 ZINC000554021603 341440737 /nfs/dbraw/zinc/44/07/37/341440737.db2.gz MCKJNTAJUAMZED-MRXNPFEDSA-N 0 0 305.418 3.461 10 30 DGEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000554921170 341469435 /nfs/dbraw/zinc/46/94/35/341469435.db2.gz KOOQOWNACAPQPH-ZBFHGGJFSA-N 0 0 312.392 3.183 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 ZINC000555255721 341478748 /nfs/dbraw/zinc/47/87/48/341478748.db2.gz MAMGNQNJWUENQZ-UHFFFAOYSA-N 0 0 307.401 3.239 10 30 DGEERN Cc1ccc(-c2noc(C[S@@](=O)CCC(C)(C)C#N)n2)cc1 ZINC000555362878 341481086 /nfs/dbraw/zinc/48/10/86/341481086.db2.gz FVIGKIDEDBPLTF-QFIPXVFZSA-N 0 0 317.414 3.234 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000564634673 341505649 /nfs/dbraw/zinc/50/56/49/341505649.db2.gz WHIVMVOETCQVML-MLHJIOFPSA-N 0 0 314.429 3.356 10 30 DGEERN C=CCn1cc(CNc2nc(C)nc3sc(C)c(C)c32)nn1 ZINC000564878710 341512140 /nfs/dbraw/zinc/51/21/40/341512140.db2.gz LWIFYYIVNZEXTA-UHFFFAOYSA-N 0 0 314.418 3.006 10 30 DGEERN CC(=O)c1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1O ZINC000567140159 341582386 /nfs/dbraw/zinc/58/23/86/341582386.db2.gz OQYBQEDIDDYDJY-UHFFFAOYSA-N 0 0 320.348 3.402 10 30 DGEERN C=CCC(CC=C)c1nc(-c2c3n(c(C)cc2=O)CCC3)no1 ZINC000567664154 341625687 /nfs/dbraw/zinc/62/56/87/341625687.db2.gz ILRSJZOORGFJIX-UHFFFAOYSA-N 0 0 311.385 3.389 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cccc2ccccc21 ZINC000567725579 341630025 /nfs/dbraw/zinc/63/00/25/341630025.db2.gz ZVCIQJXCDXGFTB-HKUYNNGSSA-N 0 0 324.424 3.273 10 30 DGEERN C=CCn1c(SCc2coc(C)n2)nc2ccccc2c1=O ZINC000573188494 341720317 /nfs/dbraw/zinc/72/03/17/341720317.db2.gz RLKDKRPPQZOEPD-UHFFFAOYSA-N 0 0 313.382 3.171 10 30 DGEERN C=CCN(C)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000573796946 341739568 /nfs/dbraw/zinc/73/95/68/341739568.db2.gz BKEDFWKJRKIIAK-KBPBESRZSA-N 0 0 312.417 3.417 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(SC)cc1OC ZINC000574287591 341754316 /nfs/dbraw/zinc/75/43/16/341754316.db2.gz BQWNXGVBNMPMKT-FZMZJTMJSA-N 0 0 322.430 3.130 10 30 DGEERN C=CCCCNC(=O)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000574835642 341770358 /nfs/dbraw/zinc/77/03/58/341770358.db2.gz CAPLRORIBBLVAL-UHFFFAOYSA-N 0 0 318.417 3.214 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@@H](C)C1 ZINC000575867830 341811810 /nfs/dbraw/zinc/81/18/10/341811810.db2.gz BQOBCTQGKRDJBO-LLVKDONJSA-N 0 0 303.435 3.132 10 30 DGEERN C=CCC1(c2nc(-c3ncccc3-n3cccn3)no2)CCC1 ZINC000577102779 341886055 /nfs/dbraw/zinc/88/60/55/341886055.db2.gz YOZHBLDTUKNOJX-UHFFFAOYSA-N 0 0 307.357 3.315 10 30 DGEERN C=CCCCCCNC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC ZINC000580656939 341893371 /nfs/dbraw/zinc/89/33/71/341893371.db2.gz HMRBGOYAYQSXEF-HOTGVXAUSA-N 0 0 323.481 3.069 10 30 DGEERN C=CCSCCN1C(=O)[C@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000349304311 341968856 /nfs/dbraw/zinc/96/88/56/341968856.db2.gz YTSUYRZPKORSKQ-HUUCEWRRSA-N 0 0 322.474 3.139 10 30 DGEERN C=CC[C@H]1N(C(=O)NC[C@@H]2CCO[C@H]2C=C)CCCC1(C)C ZINC000425855366 500579716 /nfs/dbraw/zinc/57/97/16/500579716.db2.gz MAOWURZILYAGPB-HRCADAONSA-N 0 0 306.450 3.354 10 30 DGEERN C[C@H](NCC#Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 ZINC000185457139 533814390 /nfs/dbraw/zinc/81/43/90/533814390.db2.gz SKJINVZSKQUKLX-HNNXBMFYSA-N 0 0 320.371 3.109 10 30 DGEERN COc1ccccc1C[C@H]1CCCN1C(=O)NCCCCC#N ZINC000170885170 534122263 /nfs/dbraw/zinc/12/22/63/534122263.db2.gz GDJSMOXLVHFRLD-MRXNPFEDSA-N 0 0 315.417 3.106 10 30 DGEERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1cccs1 ZINC000328639787 534280751 /nfs/dbraw/zinc/28/07/51/534280751.db2.gz XCMWSIBOLAHGSV-VHRBIJSZSA-N 0 0 305.403 3.277 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCCC)cc1C ZINC000469869434 534360165 /nfs/dbraw/zinc/36/01/65/534360165.db2.gz DNIMWSQZIQLHNI-QZTJIDSGSA-N 0 0 317.429 3.381 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000469527132 534361016 /nfs/dbraw/zinc/36/10/16/534361016.db2.gz KQJJRGUTBGQIGU-BRWVUGGUSA-N 0 0 317.454 3.114 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000455584960 534405470 /nfs/dbraw/zinc/40/54/70/534405470.db2.gz BTOSKIQNUUQCDS-NUEKZKHPSA-N 0 0 322.836 3.212 10 30 DGEERN C=CCc1cc(CNC(=O)N2CC[C@@H]2CC)cc(OC)c1OC ZINC000488521998 534415511 /nfs/dbraw/zinc/41/55/11/534415511.db2.gz YKXUFHAOCMOUFP-HNNXBMFYSA-N 0 0 318.417 3.126 10 30 DGEERN Cc1noc(COc2ccc(Oc3cccc(C#N)n3)cc2)n1 ZINC000301815821 534421791 /nfs/dbraw/zinc/42/17/91/534421791.db2.gz DFHHORPXVXLETI-UHFFFAOYSA-N 0 0 308.297 3.016 10 30 DGEERN Cc1nc(NC(=O)CSc2ccc(C#N)cc2)cc(C2CC2)n1 ZINC000160073115 534463412 /nfs/dbraw/zinc/46/34/12/534463412.db2.gz VSSBBTPGMSLOJI-UHFFFAOYSA-N 0 0 324.409 3.265 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000455365285 534506223 /nfs/dbraw/zinc/50/62/23/534506223.db2.gz KLBTZTHNYCDSJD-CQSZACIVSA-N 0 0 316.401 3.474 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000455384971 534513071 /nfs/dbraw/zinc/51/30/71/534513071.db2.gz MXUSRTXAMQROFB-JKSUJKDBSA-N 0 0 302.418 3.276 10 30 DGEERN CCOC(=O)Cc1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000033362924 520909298 /nfs/dbraw/zinc/90/92/98/520909298.db2.gz ZOLVVOAWGVGXDU-PXNMLYILSA-N 0 0 323.805 3.348 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)CC1 ZINC000466058202 534525120 /nfs/dbraw/zinc/52/51/20/534525120.db2.gz ZXCWJOFSIQPXHC-HKUYNNGSSA-N 0 0 314.429 3.333 10 30 DGEERN Cc1oc(NC(=O)CN2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127534353 534546286 /nfs/dbraw/zinc/54/62/86/534546286.db2.gz IEJDNIPMDCCHEZ-NEPJUHHUSA-N 0 0 303.406 3.075 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000494244682 534548229 /nfs/dbraw/zinc/54/82/29/534548229.db2.gz KYPXJMIVDXPLQE-CQSZACIVSA-N 0 0 318.808 3.238 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000488879850 534557139 /nfs/dbraw/zinc/55/71/39/534557139.db2.gz SMPWVOGCLXYEPV-GFCCVEGCSA-N 0 0 317.339 3.331 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000455421941 534565022 /nfs/dbraw/zinc/56/50/22/534565022.db2.gz MTUXVVLTIVCTFU-SJORKVTESA-N 0 0 302.418 3.178 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H](C)Cc1ccccc1C ZINC000455413589 534565187 /nfs/dbraw/zinc/56/51/87/534565187.db2.gz DNTIARPXIOBJDJ-JQHSSLGASA-N 0 0 316.445 3.301 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000181537303 534572085 /nfs/dbraw/zinc/57/20/85/534572085.db2.gz JOXAXNXUTCXIDR-UHFFFAOYSA-N 0 0 324.424 3.417 10 30 DGEERN N#CC1(c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)CC1 ZINC000179785848 534572439 /nfs/dbraw/zinc/57/24/39/534572439.db2.gz GLUZCTJTDCIXSA-UHFFFAOYSA-N 0 0 317.392 3.442 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(CC#N)c2)cs1 ZINC000187119216 534570854 /nfs/dbraw/zinc/57/08/54/534570854.db2.gz MGYPTGGHLSZRHN-INIZCTEOSA-N 0 0 311.410 3.495 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000182233079 534576358 /nfs/dbraw/zinc/57/63/58/534576358.db2.gz VNDAHRJUKISWAS-UHFFFAOYSA-N 0 0 320.348 3.265 10 30 DGEERN C=CCC1(C(=O)N[C@H]2COc3ccc(F)cc3C2)CCCC1 ZINC000451823759 534593751 /nfs/dbraw/zinc/59/37/51/534593751.db2.gz KRDDBVXQXPZPBO-OAHLLOKOSA-N 0 0 303.377 3.382 10 30 DGEERN C=CCCCCNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000471714033 534687240 /nfs/dbraw/zinc/68/72/40/534687240.db2.gz IDHZWKLHEYTJKS-SFHVURJKSA-N 0 0 317.429 3.396 10 30 DGEERN C=CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000489984468 534739519 /nfs/dbraw/zinc/73/95/19/534739519.db2.gz NSHMNIHBJCOGQQ-NEPJUHHUSA-N 0 0 313.385 3.335 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)N[C@]3(C#N)CCC[C@H](C)C3)nc21 ZINC000176609558 534772711 /nfs/dbraw/zinc/77/27/11/534772711.db2.gz ZSXNUPJSUTYDAE-ORAYPTAESA-N 0 0 324.428 3.393 10 30 DGEERN COc1ccc(N(C(=O)c2c[nH]c(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000181234710 524336926 /nfs/dbraw/zinc/33/69/26/524336926.db2.gz QJLHBBRWDTULQD-GFCCVEGCSA-N 0 0 309.369 3.340 10 30 DGEERN N#Cc1ccnc(NC(=O)C2(CCOCc3ccccc3)CC2)c1 ZINC000436016009 534823438 /nfs/dbraw/zinc/82/34/38/534823438.db2.gz PJWNNCOHVMWILD-UHFFFAOYSA-N 0 0 321.380 3.279 10 30 DGEERN Cc1csc(N2CCC(C(=O)N[C@@H](C)c3ccon3)CC2)n1 ZINC000329172663 534823559 /nfs/dbraw/zinc/82/35/59/534823559.db2.gz LEJPQCIOWVYNDL-NSHDSACASA-N 0 0 320.418 3.374 10 30 DGEERN Cc1csc(N2CCC(C(=O)NCc3nccs3)CC2)n1 ZINC000328706934 534823934 /nfs/dbraw/zinc/82/39/34/534823934.db2.gz PXCVOVLTYMKMPO-UHFFFAOYSA-N 0 0 322.459 3.281 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[C@H]1CC ZINC000458995175 534839275 /nfs/dbraw/zinc/83/92/75/534839275.db2.gz AVTQUMGMZUHGKH-CABCVRRESA-N 0 0 317.389 3.339 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)NC1(C#N)CCCCC1 ZINC000078287829 534859097 /nfs/dbraw/zinc/85/90/97/534859097.db2.gz NXLPBFJMFZHGFB-UHFFFAOYSA-N 0 0 316.449 3.041 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000156584537 525959038 /nfs/dbraw/zinc/95/90/38/525959038.db2.gz JERBFEACFZTOPK-ZDUSSCGKSA-N 0 0 324.355 3.270 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000160052413 526187821 /nfs/dbraw/zinc/18/78/21/526187821.db2.gz YZWJEIBJYRNWFV-UHFFFAOYSA-N 0 0 307.397 3.205 10 30 DGEERN C=CCN(CCC1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075368 526272994 /nfs/dbraw/zinc/27/29/94/526272994.db2.gz OHOFZSWVADRIST-BFYDXBDKSA-N 0 0 313.507 3.124 10 30 DGEERN CC#CCCCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000185073720 526289947 /nfs/dbraw/zinc/28/99/47/526289947.db2.gz ZKIQCJKRQZHERK-UHFFFAOYSA-N 0 0 315.413 3.388 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176947307 526349677 /nfs/dbraw/zinc/34/96/77/526349677.db2.gz KNQHCMPVXRQGFQ-CVEARBPZSA-N 0 0 300.358 3.156 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(C(C)C)n1C ZINC000350010811 526351646 /nfs/dbraw/zinc/35/16/46/526351646.db2.gz VWFYMUMQKJBANO-UHFFFAOYSA-N 0 0 315.377 3.039 10 30 DGEERN C=CCN(Cc1cn(-c2ccccc2C)nn1)CC(F)(F)F ZINC000347801973 526379521 /nfs/dbraw/zinc/37/95/21/526379521.db2.gz FCXSZUCUSFZRAY-UHFFFAOYSA-N 0 0 310.323 3.126 10 30 DGEERN C=CCN(Cc1nnc(C2CCC2)n1C)Cc1ccccc1F ZINC000181133160 526382593 /nfs/dbraw/zinc/38/25/93/526382593.db2.gz CESIWYXVNCGHFS-UHFFFAOYSA-N 0 0 314.408 3.410 10 30 DGEERN C=C(C)CCS[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000419471682 526462898 /nfs/dbraw/zinc/46/28/98/526462898.db2.gz FMZCQIRKMWXEAG-ZIAGYGMSSA-N 0 0 321.442 3.031 10 30 DGEERN C=C(C)CCc1noc(-c2cnc(OC)c(Br)c2)n1 ZINC000424360997 526465369 /nfs/dbraw/zinc/46/53/69/526465369.db2.gz KOMNFVWFHVYVSZ-UHFFFAOYSA-N 0 0 324.178 3.411 10 30 DGEERN C=CCNC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000342013888 526524211 /nfs/dbraw/zinc/52/42/11/526524211.db2.gz JDBGXOBCNGQAIC-UHFFFAOYSA-N 0 0 314.772 3.248 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000434298337 526532817 /nfs/dbraw/zinc/53/28/17/526532817.db2.gz HLJDWBFTRXFMRE-AWEZNQCLSA-N 0 0 312.479 3.039 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1nc(C#N)cs1 ZINC000419658601 526543985 /nfs/dbraw/zinc/54/39/85/526543985.db2.gz ZZZUUQUGHCWWAX-NSHDSACASA-N 0 0 309.460 3.061 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C(=O)OC)co1 ZINC000347865795 526567296 /nfs/dbraw/zinc/56/72/96/526567296.db2.gz DBLCUHGHEKBRDT-UHFFFAOYSA-N 0 0 313.353 3.285 10 30 DGEERN C=C(C)CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000359762830 526568439 /nfs/dbraw/zinc/56/84/39/526568439.db2.gz BOVGRWWJHCFLPM-MRXNPFEDSA-N 0 0 322.474 3.041 10 30 DGEERN C=C(C)CNC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000163119714 526617159 /nfs/dbraw/zinc/61/71/59/526617159.db2.gz ZIEODZVKHWUWHV-CYBMUJFWSA-N 0 0 309.207 3.312 10 30 DGEERN C=CCNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000346828022 526638195 /nfs/dbraw/zinc/63/81/95/526638195.db2.gz ZIODWWNNTWXCTC-HNNXBMFYSA-N 0 0 310.800 3.308 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000128787703 526644355 /nfs/dbraw/zinc/64/43/55/526644355.db2.gz XHYPQIUSYLRXIE-OAHLLOKOSA-N 0 0 308.809 3.219 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)CC2CC(C)(C)C2)cc1 ZINC000428122286 526645240 /nfs/dbraw/zinc/64/52/40/526645240.db2.gz ARCUTKJEKHYJCK-UHFFFAOYSA-N 0 0 300.402 3.367 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000135011231 526645525 /nfs/dbraw/zinc/64/55/25/526645525.db2.gz NFNWIJBCXYCPCL-HNNXBMFYSA-N 0 0 318.417 3.181 10 30 DGEERN C=C(C)CS(=O)(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000435440199 526672475 /nfs/dbraw/zinc/67/24/75/526672475.db2.gz UNQNOSITAOEZDA-OAHLLOKOSA-N 0 0 308.447 3.077 10 30 DGEERN C=CCNc1nnc(SCc2csc([N+](=O)[O-])c2)s1 ZINC000047171629 526682828 /nfs/dbraw/zinc/68/28/28/526682828.db2.gz PSFJAXLBRHITKO-UHFFFAOYSA-N 0 0 314.417 3.398 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435590247 526686652 /nfs/dbraw/zinc/68/66/52/526686652.db2.gz VNKUCUGGOOLIEF-WCQYABFASA-N 0 0 320.241 3.345 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000154885201 526698217 /nfs/dbraw/zinc/69/82/17/526698217.db2.gz AEBKEDKDVGOMED-CQSZACIVSA-N 0 0 319.474 3.398 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000185276096 526698714 /nfs/dbraw/zinc/69/87/14/526698714.db2.gz DRFONSHGMDFJHE-CQSZACIVSA-N 0 0 305.418 3.355 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000184991009 526698813 /nfs/dbraw/zinc/69/88/13/526698813.db2.gz INVYTIRYOYEERE-OAHLLOKOSA-N 0 0 302.418 3.269 10 30 DGEERN C#CCCCCNC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000132453882 526698703 /nfs/dbraw/zinc/69/87/03/526698703.db2.gz FBJOBDQYSDWVHL-KRWDZBQOSA-N 0 0 318.392 3.021 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@](CC)(C(=O)OC)c1ccccc1 ZINC000412977491 526699117 /nfs/dbraw/zinc/69/91/17/526699117.db2.gz XMZYDOLKHHABTH-BEFAXECRSA-N 0 0 317.429 3.226 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000185167210 526699241 /nfs/dbraw/zinc/69/92/41/526699241.db2.gz VHZDNHJAQVOMNO-OAHLLOKOSA-N 0 0 314.429 3.028 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000185493950 526701189 /nfs/dbraw/zinc/70/11/89/526701189.db2.gz BNLGHXJLQXPQGX-ZIAGYGMSSA-N 0 0 305.418 3.353 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000185117223 526706092 /nfs/dbraw/zinc/70/60/92/526706092.db2.gz ALLNMCFMFUVMKC-CVEARBPZSA-N 0 0 320.477 3.086 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000185885429 526708303 /nfs/dbraw/zinc/70/83/03/526708303.db2.gz VZQBLRMRISNBRC-YOEHRIQHSA-N 0 0 303.402 3.197 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000185276082 526710767 /nfs/dbraw/zinc/71/07/67/526710767.db2.gz DRFONSHGMDFJHE-AWEZNQCLSA-N 0 0 305.418 3.355 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000184724807 526711866 /nfs/dbraw/zinc/71/18/66/526711866.db2.gz LGEBUCQPMHPXAF-JTQLQIEISA-N 0 0 312.207 3.373 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@](C)(CC)C1 ZINC000338798686 526718552 /nfs/dbraw/zinc/71/85/52/526718552.db2.gz BXOSFLUVYORFAS-QGZVFWFLSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@](C)(OC)C1 ZINC000338849177 526718808 /nfs/dbraw/zinc/71/88/08/526718808.db2.gz JHJMTHMRUZOMSH-KRWDZBQOSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(C[C@@H]1CCCO1)C1CCCC1 ZINC000358961147 526722394 /nfs/dbraw/zinc/72/23/94/526722394.db2.gz UKWAFPCVVWVHOJ-INIZCTEOSA-N 0 0 304.438 3.091 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@@H]1CCCO1 ZINC000338806707 526728341 /nfs/dbraw/zinc/72/83/41/526728341.db2.gz GWNYPGZAIKVOLP-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CC#N ZINC000359107056 526731952 /nfs/dbraw/zinc/73/19/52/526731952.db2.gz HWKGMAKMUBIKEI-INIZCTEOSA-N 0 0 323.444 3.492 10 30 DGEERN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C1CC1 ZINC000359104459 526736600 /nfs/dbraw/zinc/73/66/00/526736600.db2.gz OJLMQUAAZWJGIW-INIZCTEOSA-N 0 0 310.401 3.129 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCS[C@H](C)C1 ZINC000424252504 526736911 /nfs/dbraw/zinc/73/69/11/526736911.db2.gz RNWVKXYTAHQQTL-OLZOCXBDSA-N 0 0 324.519 3.364 10 30 DGEERN C=C(C)[C@@H](CC(=O)N(C)CCc1ccccc1OC)OCC ZINC000339345835 526740733 /nfs/dbraw/zinc/74/07/33/526740733.db2.gz WXQIPGWXBMWHDN-QGZVFWFLSA-N 0 0 305.418 3.067 10 30 DGEERN C=CCOCCCC(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000416000205 526744839 /nfs/dbraw/zinc/74/48/39/526744839.db2.gz ILACYBCNQRXJRV-UHFFFAOYSA-N 0 0 311.765 3.048 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H](C)c1c(F)cccc1OC)OCC ZINC000339362270 526750016 /nfs/dbraw/zinc/75/00/16/526750016.db2.gz YNCVXQUECSGHNZ-IUODEOHRSA-N 0 0 309.381 3.383 10 30 DGEERN C=C(C)[C@H](CC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)OCC ZINC000346497452 526813420 /nfs/dbraw/zinc/81/34/20/526813420.db2.gz PQRDFZCXPHFYLC-SQNIBIBYSA-N 0 0 317.429 3.394 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1)OCC ZINC000357682532 526815030 /nfs/dbraw/zinc/81/50/30/526815030.db2.gz PNRJHBSMDIVHIY-LNLFQRSKSA-N 0 0 317.429 3.252 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccccc1-n1ccc(C)n1)OCC ZINC000372880792 526817054 /nfs/dbraw/zinc/81/70/54/526817054.db2.gz LSUPOJISOXEEFR-KRWDZBQOSA-N 0 0 313.401 3.491 10 30 DGEERN C=C(C)[C@H](NC(=O)c1nccc(C)n1)c1ccc(F)c(F)c1 ZINC000348513521 526819963 /nfs/dbraw/zinc/81/99/63/526819963.db2.gz XWDODNPPRWVKSP-AWEZNQCLSA-N 0 0 303.312 3.110 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NCCCCSC ZINC000127963536 526828784 /nfs/dbraw/zinc/82/87/84/526828784.db2.gz FDRVYRFZOMMZIN-UHFFFAOYSA-N 0 0 309.431 3.133 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC12CCCC2 ZINC000430212768 526829545 /nfs/dbraw/zinc/82/95/45/526829545.db2.gz PSWXXQINZQMQAP-MRXNPFEDSA-N 0 0 301.386 3.323 10 30 DGEERN C=CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OC ZINC000345696797 526831509 /nfs/dbraw/zinc/83/15/09/526831509.db2.gz XGDQQKJMXNZSDJ-UHFFFAOYSA-N 0 0 309.325 3.372 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000346488871 526840122 /nfs/dbraw/zinc/84/01/22/526840122.db2.gz JQYMKEZZPWFADG-CZUORRHYSA-N 0 0 321.367 3.094 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128174638 526842310 /nfs/dbraw/zinc/84/23/10/526842310.db2.gz IZKPSMTZCANISU-VQIMIIECSA-N 0 0 315.413 3.019 10 30 DGEERN C=C(CNC(=O)C[C@H](NC(C)=O)c1ccccc1)c1ccccc1 ZINC000345788719 526866781 /nfs/dbraw/zinc/86/67/81/526866781.db2.gz UOQWZYVROASTBO-IBGZPJMESA-N 0 0 322.408 3.084 10 30 DGEERN C=C(CNC(=O)NCCC[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000358565883 526870772 /nfs/dbraw/zinc/87/07/72/526870772.db2.gz BARWAQDTISNFNY-MSOLQXFVSA-N 0 0 316.445 3.330 10 30 DGEERN C=C(CNC(=O)NCc1ccc2cc[nH]c2n1)c1ccccc1 ZINC000359655532 526871490 /nfs/dbraw/zinc/87/14/90/526871490.db2.gz UOXSHVWBOWLSQQ-UHFFFAOYSA-N 0 0 306.369 3.076 10 30 DGEERN C=C(CNC(=O)NC[C@@]1(O)CCCC(C)(C)C1)c1ccccc1 ZINC000358582504 526871770 /nfs/dbraw/zinc/87/17/70/526871770.db2.gz FPQQMQWKHWMUIR-LJQANCHMSA-N 0 0 316.445 3.330 10 30 DGEERN C=C(CNC(=O)NCc1nc2c(cccc2C)[nH]1)c1ccccc1 ZINC000354901313 526872125 /nfs/dbraw/zinc/87/21/25/526872125.db2.gz CILUULYQFIGIGP-UHFFFAOYSA-N 0 0 320.396 3.384 10 30 DGEERN C=CCOc1ccc(CNC(=O)C(C)(C)CCC(C)=O)cc1 ZINC000359106158 526874841 /nfs/dbraw/zinc/87/48/41/526874841.db2.gz NYLHOHYIXQVCIA-UHFFFAOYSA-N 0 0 303.402 3.263 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000355703001 526883016 /nfs/dbraw/zinc/88/30/16/526883016.db2.gz AAFYLUXYWUHGCZ-UHFFFAOYSA-N 0 0 306.365 3.362 10 30 DGEERN C=CCOc1ccc(CNc2cccc3c2OCC(=O)N3)cc1 ZINC000352447697 526892070 /nfs/dbraw/zinc/89/20/70/526892070.db2.gz NNURMLKJPOZVCJ-UHFFFAOYSA-N 0 0 310.353 3.194 10 30 DGEERN C=CCOc1cccc(CN(CCO)Cc2ccc(C)o2)c1 ZINC000355664782 526898487 /nfs/dbraw/zinc/89/84/87/526898487.db2.gz VFVHNZBMRMCMQQ-UHFFFAOYSA-N 0 0 301.386 3.147 10 30 DGEERN C=CCOc1cccc(CN[C@@H](C(=O)OC)c2ccccc2)c1 ZINC000154523537 526904104 /nfs/dbraw/zinc/90/41/04/526904104.db2.gz RXPHTQQDUKFDMW-GOSISDBHSA-N 0 0 311.381 3.255 10 30 DGEERN CC(C)(C)n1cc(C(=O)NC2CCC3(CCOCC3)CC2)nn1 ZINC000330044541 526909037 /nfs/dbraw/zinc/90/90/37/526909037.db2.gz FUXPIFUSUIQXQR-UHFFFAOYSA-N 0 0 320.437 3.077 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172474379 526917815 /nfs/dbraw/zinc/91/78/15/526917815.db2.gz JKXMVZZCUCNDOW-ROUUACIJSA-N 0 0 324.380 3.031 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cccc(-n3cncn3)c2)c1 ZINC000359964160 526918644 /nfs/dbraw/zinc/91/86/44/526918644.db2.gz ODFLKTQRGRPLQP-UHFFFAOYSA-N 0 0 320.352 3.084 10 30 DGEERN C=CCOc1cccc(NC(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000362538871 526918810 /nfs/dbraw/zinc/91/88/10/526918810.db2.gz AIPWBHZBRITMBX-UHFFFAOYSA-N 0 0 324.380 3.486 10 30 DGEERN C=CCOc1ccccc1CNc1cc(C(=O)OCC)n(C)c1 ZINC000349367164 526952355 /nfs/dbraw/zinc/95/23/55/526952355.db2.gz KYUUCTBRVPPYMB-UHFFFAOYSA-N 0 0 314.385 3.379 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000341422090 526965082 /nfs/dbraw/zinc/96/50/82/526965082.db2.gz RHKXJJCTUZKQTK-NSHDSACASA-N 0 0 318.323 3.416 10 30 DGEERN C=CCOc1cccnc1C(=O)Nc1cc(F)cc(F)c1F ZINC000348152186 526968330 /nfs/dbraw/zinc/96/83/30/526968330.db2.gz PQWXFZPDZOZKKN-UHFFFAOYSA-N 0 0 308.259 3.316 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135459140 527025272 /nfs/dbraw/zinc/02/52/72/527025272.db2.gz VRRJMRDZWGTQCF-QGZVFWFLSA-N 0 0 301.386 3.061 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135459125 527025488 /nfs/dbraw/zinc/02/54/88/527025488.db2.gz VRRJMRDZWGTQCF-KRWDZBQOSA-N 0 0 301.386 3.061 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000284096747 527046578 /nfs/dbraw/zinc/04/65/78/527046578.db2.gz FTLXKALLRJFINK-MRXNPFEDSA-N 0 0 312.417 3.085 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CCOCC1 ZINC000424858475 527049840 /nfs/dbraw/zinc/04/98/40/527049840.db2.gz BRPYUPPCXPXKBW-HPFXQQBRSA-N 0 0 301.430 3.030 10 30 DGEERN C=CCC1(C(=O)NCCCN(C)c2ccccc2)CCOCC1 ZINC000424575307 527052345 /nfs/dbraw/zinc/05/23/45/527052345.db2.gz ZSVPKUNBOCCZDE-UHFFFAOYSA-N 0 0 316.445 3.002 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(SC)cc2)CCOCC1 ZINC000424843215 527053122 /nfs/dbraw/zinc/05/31/22/527053122.db2.gz URKLPUMRUCOQOM-UHFFFAOYSA-N 0 0 319.470 3.440 10 30 DGEERN C=CCC1(C(=O)NC[C@@](C)(OC)c2ccccc2)CCOCC1 ZINC000424863773 527055146 /nfs/dbraw/zinc/05/51/46/527055146.db2.gz AYPOAAUHRFXCSI-GOSISDBHSA-N 0 0 317.429 3.037 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)CCOCC1 ZINC000425622064 527055943 /nfs/dbraw/zinc/05/59/43/527055943.db2.gz OQJBHMLXKPUPDX-KRWDZBQOSA-N 0 0 312.413 3.303 10 30 DGEERN C=CCCC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000133920790 527068667 /nfs/dbraw/zinc/06/86/67/527068667.db2.gz BZROAGASLNOJRD-UHFFFAOYSA-N 0 0 301.312 3.101 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000185876397 527088901 /nfs/dbraw/zinc/08/89/01/527088901.db2.gz QEPKMSULQLQHIL-RYUDHWBXSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000185541584 527094363 /nfs/dbraw/zinc/09/43/63/527094363.db2.gz NEZYRZFNFZBEIA-LSDHHAIUSA-N 0 0 308.397 3.149 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000183150506 527094373 /nfs/dbraw/zinc/09/43/73/527094373.db2.gz AIYFBKVQLHHTEK-OLZOCXBDSA-N 0 0 302.374 3.038 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cccc(NCC(C)(C)C)c1C ZINC000185382349 527099344 /nfs/dbraw/zinc/09/93/44/527099344.db2.gz MHHVJTNURWQAKW-AWEZNQCLSA-N 0 0 304.434 3.120 10 30 DGEERN C#CCOc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184066392 527106114 /nfs/dbraw/zinc/10/61/14/527106114.db2.gz VMUDSHXODWGKCQ-SFHVURJKSA-N 0 0 309.365 3.127 10 30 DGEERN C=CCCCC(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000337034960 527107939 /nfs/dbraw/zinc/10/79/39/527107939.db2.gz ICTITTBWKRKCRT-UHFFFAOYSA-N 0 0 322.836 3.149 10 30 DGEERN C#CCOc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911694 527115900 /nfs/dbraw/zinc/11/59/00/527115900.db2.gz XYAWVDBJIHGCPU-LSDHHAIUSA-N 0 0 324.428 3.038 10 30 DGEERN C#CCOc1cccc(-c2noc([C@H]3CCCC[C@H]3OC)n2)c1 ZINC000293145560 527117469 /nfs/dbraw/zinc/11/74/69/527117469.db2.gz LMRPQJQGHWXKDG-JKSUJKDBSA-N 0 0 312.369 3.421 10 30 DGEERN C=CC[C@H](C(=O)N[C@@H](CO)c1ccsc1)c1ccccc1 ZINC000356246588 527122481 /nfs/dbraw/zinc/12/24/81/527122481.db2.gz ADDLOCBYUDHWQZ-HOTGVXAUSA-N 0 0 301.411 3.258 10 30 DGEERN C=CCCCCCN(C)C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000351438857 527123502 /nfs/dbraw/zinc/12/35/02/527123502.db2.gz FSGOXOMJESQXFJ-GOSISDBHSA-N 0 0 316.445 3.459 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000340157042 527136037 /nfs/dbraw/zinc/13/60/37/527136037.db2.gz ABOSPUPRKAKLBV-WMLDXEAASA-N 0 0 303.402 3.004 10 30 DGEERN C=CC[C@H](C)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000337506135 527136476 /nfs/dbraw/zinc/13/64/76/527136476.db2.gz OZQRWOMZLXAZOV-QMMMGPOBSA-N 0 0 308.179 3.020 10 30 DGEERN C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000428373945 527140649 /nfs/dbraw/zinc/14/06/49/527140649.db2.gz MEQIYAVVQSHYNL-OGHNNQOOSA-N 0 0 321.417 3.108 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413504562 527157353 /nfs/dbraw/zinc/15/73/53/527157353.db2.gz AXGGIEGSIRHHII-LSDHHAIUSA-N 0 0 305.397 3.058 10 30 DGEERN C=CC[C@H](CO)CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000341547756 527168005 /nfs/dbraw/zinc/16/80/05/527168005.db2.gz KODSNLPAJPVLQR-CPCZMJQVSA-N 0 0 307.356 3.046 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccoc1C ZINC000286985704 527170950 /nfs/dbraw/zinc/17/09/50/527170950.db2.gz JOPPHVNRKWEBSL-GOSISDBHSA-N 0 0 310.397 3.364 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000438369487 527175809 /nfs/dbraw/zinc/17/58/09/527175809.db2.gz YEYRFCRZYVUXTE-ZOCIIQOWSA-N 0 0 324.424 3.180 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000284019190 527176993 /nfs/dbraw/zinc/17/69/93/527176993.db2.gz ICUZGSJVWMFNFS-INIZCTEOSA-N 0 0 302.418 3.069 10 30 DGEERN C=CCCCN(C)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000076491338 527181520 /nfs/dbraw/zinc/18/15/20/527181520.db2.gz PVADXJFIBXWPOK-UHFFFAOYSA-N 0 0 305.403 3.155 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000346767817 527187802 /nfs/dbraw/zinc/18/78/02/527187802.db2.gz ITLKPVVPOWGRRC-CYBMUJFWSA-N 0 0 320.820 3.118 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000176364564 527189253 /nfs/dbraw/zinc/18/92/53/527189253.db2.gz BFYIFLJDCLYPEL-KRWDZBQOSA-N 0 0 304.409 3.215 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccccc2)c1COC ZINC000185621557 527190394 /nfs/dbraw/zinc/19/03/94/527190394.db2.gz KQTDJJRINLAGDW-UHFFFAOYSA-N 0 0 313.401 3.057 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1ccccc1 ZINC000365127784 527194312 /nfs/dbraw/zinc/19/43/12/527194312.db2.gz LMBPAEDSIPNFMB-UHFFFAOYSA-N 0 0 315.376 3.365 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000427815877 527194439 /nfs/dbraw/zinc/19/44/39/527194439.db2.gz HFTHULMLJVDDKI-UHFFFAOYSA-N 0 0 321.446 3.204 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000132076290 527194536 /nfs/dbraw/zinc/19/45/36/527194536.db2.gz KPHBPFZMRMIMNR-UHFFFAOYSA-N 0 0 315.822 3.129 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H](C)CC)n1C[C@H]1CCCO1 ZINC000339023078 527195527 /nfs/dbraw/zinc/19/55/27/527195527.db2.gz IFYWFVVPCQRNNX-LSDHHAIUSA-N 0 0 306.454 3.373 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000347749997 527200088 /nfs/dbraw/zinc/20/00/88/527200088.db2.gz JMAUMMYOEIPBCI-GHMZBOCLSA-N 0 0 316.323 3.003 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000413762581 527200590 /nfs/dbraw/zinc/20/05/90/527200590.db2.gz UYJBPHLZQZKVAC-VDHUWJSZSA-N 0 0 316.445 3.195 10 30 DGEERN C=CCCCNC(=O)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000359696927 527205206 /nfs/dbraw/zinc/20/52/06/527205206.db2.gz RXGXDOIJAUBZTQ-UHFFFAOYSA-N 0 0 308.466 3.038 10 30 DGEERN C=CCCCNC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000447964467 527221033 /nfs/dbraw/zinc/22/10/33/527221033.db2.gz QJRSAQKBRQRHHY-NSHDSACASA-N 0 0 318.352 3.202 10 30 DGEERN C=CCCCS(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431625483 527244284 /nfs/dbraw/zinc/24/42/84/527244284.db2.gz ZRWKUXOBNNFJRJ-INIZCTEOSA-N 0 0 306.431 3.307 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCCCC1 ZINC000078557431 527244666 /nfs/dbraw/zinc/24/46/66/527244666.db2.gz HKLAQUJLUHSOMB-UHFFFAOYSA-N 0 0 318.373 3.105 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1occc1C(=O)OC ZINC000344368883 527246162 /nfs/dbraw/zinc/24/61/62/527246162.db2.gz LIWHPKLPZZVDIY-UHFFFAOYSA-N 0 0 317.297 3.282 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000181414373 527261632 /nfs/dbraw/zinc/26/16/32/527261632.db2.gz SMEZBBPUHTYKOK-GDBMZVCRSA-N 0 0 304.438 3.110 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000181427213 527261954 /nfs/dbraw/zinc/26/19/54/527261954.db2.gz FEPDWKGQNUQDDK-OAHLLOKOSA-N 0 0 304.438 3.050 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000181406391 527262597 /nfs/dbraw/zinc/26/25/97/527262597.db2.gz CONDAXWBYLHXED-OAHLLOKOSA-N 0 0 318.465 3.129 10 30 DGEERN C=CCn1c(-c2ccc(C)o2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000350751552 527267214 /nfs/dbraw/zinc/26/72/14/527267214.db2.gz FOVGRCNUMQEUAL-ZDUSSCGKSA-N 0 0 316.405 3.036 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000337919624 527271519 /nfs/dbraw/zinc/27/15/19/527271519.db2.gz XQNQPUMZHWWUFM-KBXCAEBGSA-N 0 0 311.433 3.476 10 30 DGEERN C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CC1 ZINC000351075922 527272547 /nfs/dbraw/zinc/27/25/47/527272547.db2.gz ROXWLEIDMBBITG-UHFFFAOYSA-N 0 0 313.361 3.028 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)[C@H](C)CCSC ZINC000351076546 527279396 /nfs/dbraw/zinc/27/93/96/527279396.db2.gz SWUZPILWKCSYCS-GFCCVEGCSA-N 0 0 306.435 3.302 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC000337872847 527279992 /nfs/dbraw/zinc/27/99/92/527279992.db2.gz WMSLGLZTHZOYMV-UHFFFAOYSA-N 0 0 316.405 3.118 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C)CC1 ZINC000350665096 527282065 /nfs/dbraw/zinc/28/20/65/527282065.db2.gz AWHVOOFKIAZSOJ-CQSZACIVSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H](C)CC[C@H]1C ZINC000350667617 527283324 /nfs/dbraw/zinc/28/33/24/527283324.db2.gz PXBUKUVEVLUMKP-UKRRQHHQSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000181097430 527285889 /nfs/dbraw/zinc/28/58/89/527285889.db2.gz DVSKGTYDQPEVFZ-ZFWWWQNUSA-N 0 0 320.437 3.087 10 30 DGEERN CC(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCOC2)cc1Cl ZINC000330815701 527287688 /nfs/dbraw/zinc/28/76/88/527287688.db2.gz OLYWSMUCCYDLLF-KOLCDFICSA-N 0 0 310.781 3.294 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000342789225 527290932 /nfs/dbraw/zinc/29/09/32/527290932.db2.gz PFKOGAJDTQZPHJ-KBPBESRZSA-N 0 0 319.453 3.110 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCO[C@@H](c2cccs2)C1 ZINC000337917691 527291433 /nfs/dbraw/zinc/29/14/33/527291433.db2.gz VVEPQUPKZBTCJO-CYBMUJFWSA-N 0 0 318.446 3.227 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000343347089 527293714 /nfs/dbraw/zinc/29/37/14/527293714.db2.gz KZMMJGDFVMZSBF-ZDUSSCGKSA-N 0 0 320.437 3.409 10 30 DGEERN C=CCCN(C)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000344264933 527306319 /nfs/dbraw/zinc/30/63/19/527306319.db2.gz OLXBCGSXDYFAER-UHFFFAOYSA-N 0 0 309.356 3.048 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCO[C@@H](C2CCCCC2)C1 ZINC000337876927 527306649 /nfs/dbraw/zinc/30/66/49/527306649.db2.gz ZMAFWBVGXCNBGA-MRXNPFEDSA-N 0 0 316.449 3.127 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000337815397 527311906 /nfs/dbraw/zinc/31/19/06/527311906.db2.gz NVYIVVRDFYHNMY-GOSISDBHSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CCC(OCC(C)C)CC1 ZINC000337916387 527313811 /nfs/dbraw/zinc/31/38/11/527313811.db2.gz UYNXEZXXALZCRS-UHFFFAOYSA-N 0 0 318.465 3.058 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)CCc1nccs1 ZINC000337809520 527315713 /nfs/dbraw/zinc/31/57/13/527315713.db2.gz KEMQBERSUUVXPG-UHFFFAOYSA-N 0 0 319.478 3.188 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)CCCSC ZINC000350740728 527320287 /nfs/dbraw/zinc/32/02/87/527320287.db2.gz GSGPLAJKNWNHCT-UHFFFAOYSA-N 0 0 320.462 3.032 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@](C)(CC)C1 ZINC000337853045 527321157 /nfs/dbraw/zinc/32/11/57/527321157.db2.gz KAZDEMVHADUSEZ-GOSISDBHSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000342947919 527329705 /nfs/dbraw/zinc/32/97/05/527329705.db2.gz UDWMTONVODPKPS-IRXDYDNUSA-N 0 0 309.450 3.025 10 30 DGEERN C=CCn1c(N2CCC[C@]3(CCCOC3)C2)nnc1C(C)(C)C ZINC000337842238 527329728 /nfs/dbraw/zinc/32/97/28/527329728.db2.gz GBSGHCBRPLUQQA-SFHVURJKSA-N 0 0 318.465 3.159 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000351919020 527332875 /nfs/dbraw/zinc/33/28/75/527332875.db2.gz LGDRPMYPYRQBEX-CVEARBPZSA-N 0 0 311.466 3.005 10 30 DGEERN C=CCCOCCCCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000344620349 527336867 /nfs/dbraw/zinc/33/68/67/527336867.db2.gz JUCFODDPAKYZJU-UHFFFAOYSA-N 0 0 303.406 3.364 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@@H](C)Cc1ccccc1C ZINC000445085631 527348169 /nfs/dbraw/zinc/34/81/69/527348169.db2.gz BFXHDVNOMXOHRE-INIZCTEOSA-N 0 0 304.434 3.160 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccoc1 ZINC000424121065 527351384 /nfs/dbraw/zinc/35/13/84/527351384.db2.gz HGROHSBYDJMPBO-ZDUSSCGKSA-N 0 0 304.419 3.262 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(CC)C(C)C ZINC000350602650 527352961 /nfs/dbraw/zinc/35/29/61/527352961.db2.gz XCHDDMMFMXAFCI-INIZCTEOSA-N 0 0 312.417 3.375 10 30 DGEERN C=CCCOCCNC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000346779186 527361221 /nfs/dbraw/zinc/36/12/21/527361221.db2.gz ZSTLUDAHRVOIJK-UHFFFAOYSA-N 0 0 322.453 3.377 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000357296964 527373077 /nfs/dbraw/zinc/37/30/77/527373077.db2.gz ZUEHXVCENLSPLE-KXBFYZLASA-N 0 0 315.413 3.016 10 30 DGEERN C=CCCO[C@@H](C)c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000356031273 527388147 /nfs/dbraw/zinc/38/81/47/527388147.db2.gz GJNDPXUSPNAUHW-ZDUSSCGKSA-N 0 0 314.389 3.386 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000347838302 527389643 /nfs/dbraw/zinc/38/96/43/527389643.db2.gz ZUWMBFDIAOJHKU-RHSMWYFYSA-N 0 0 305.393 3.340 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000129335189 527420247 /nfs/dbraw/zinc/42/02/47/527420247.db2.gz NEYWLUVNTIFSBE-MAUKXSAKSA-N 0 0 309.413 3.444 10 30 DGEERN C#Cc1ccc(CNC(=O)c2cnn(CCC)c2C2CC2)cc1 ZINC000295581130 527438767 /nfs/dbraw/zinc/43/87/67/527438767.db2.gz VTOVTBNYAATEJJ-UHFFFAOYSA-N 0 0 307.397 3.082 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000180166602 527441447 /nfs/dbraw/zinc/44/14/47/527441447.db2.gz KDZVADZHGLQRQW-UHFFFAOYSA-N 0 0 313.397 3.000 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000295869405 527462353 /nfs/dbraw/zinc/46/23/53/527462353.db2.gz FRBFAXQHPSZYLP-WFASDCNBSA-N 0 0 309.331 3.400 10 30 DGEERN C=CCC[C@H](C(=O)NCC[C@@H](C)[S@@](C)=O)c1ccccc1 ZINC000427767684 527463795 /nfs/dbraw/zinc/46/37/95/527463795.db2.gz CPYVFXWOESZZFB-IVZHQMGZSA-N 0 0 307.459 3.010 10 30 DGEERN CC(C)(C#N)CNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000359628974 527472141 /nfs/dbraw/zinc/47/21/41/527472141.db2.gz BGBPQMPEHIFMPB-UHFFFAOYSA-N 0 0 301.173 3.038 10 30 DGEERN C=CCC[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000370898341 527477726 /nfs/dbraw/zinc/47/77/26/527477726.db2.gz BXOALQQJNGVGKO-BBWFWOEESA-N 0 0 300.402 3.267 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412667052 527485666 /nfs/dbraw/zinc/48/56/66/527485666.db2.gz HDFCEHULFGXGDQ-SQNIBIBYSA-N 0 0 311.425 3.374 10 30 DGEERN CC(C)(C#N)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000123564352 527488668 /nfs/dbraw/zinc/48/86/68/527488668.db2.gz QJZLBRSVEUPQRQ-UHFFFAOYSA-N 0 0 319.455 3.023 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000448611189 527488747 /nfs/dbraw/zinc/48/87/47/527488747.db2.gz MROQBVUXIRPFKP-PMPSAXMXSA-N 0 0 305.805 3.498 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000424918493 527492672 /nfs/dbraw/zinc/49/26/72/527492672.db2.gz VLVXOGTXPIWEGW-YJBOKZPZSA-N 0 0 312.413 3.198 10 30 DGEERN C=CCCc1ccccc1NC(=O)CNC(=O)c1ccsc1 ZINC000337509929 527505887 /nfs/dbraw/zinc/50/58/87/527505887.db2.gz KYIBUVPNTPZTGG-UHFFFAOYSA-N 0 0 314.410 3.235 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC[C@H](O)C(F)(F)F ZINC000337614412 527507266 /nfs/dbraw/zinc/50/72/66/527507266.db2.gz XPMITPVKGUXUJK-ZDUSSCGKSA-N 0 0 316.323 3.240 10 30 DGEERN C=CCCc1ccccc1NC(=O)Nc1cn(C)nc1OC ZINC000337609803 527509412 /nfs/dbraw/zinc/50/94/12/527509412.db2.gz TWJKGJXYZRQYNW-UHFFFAOYSA-N 0 0 300.362 3.191 10 30 DGEERN C=CCN(C(=O)NCCc1cn(C)c2cc(C)ccc12)C1CC1 ZINC000444119051 527539410 /nfs/dbraw/zinc/53/94/10/527539410.db2.gz BOZDFKAVCWLIKX-UHFFFAOYSA-N 0 0 311.429 3.389 10 30 DGEERN C=CCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000357943615 527550562 /nfs/dbraw/zinc/55/05/62/527550562.db2.gz FULPZUBHWBQMBD-UHFFFAOYSA-N 0 0 301.777 3.316 10 30 DGEERN C=CCN(C)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000428282278 527569872 /nfs/dbraw/zinc/56/98/72/527569872.db2.gz PDXQPCVEPZBYLD-HNNXBMFYSA-N 0 0 301.434 3.138 10 30 DGEERN C=C[C@H](CC(=O)N(CCO)Cc1ccc(C)o1)c1ccccc1 ZINC000358254339 527572485 /nfs/dbraw/zinc/57/24/85/527572485.db2.gz YUDVBYAMCHKVOE-MRXNPFEDSA-N 0 0 313.397 3.269 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413284174 527587137 /nfs/dbraw/zinc/58/71/37/527587137.db2.gz OPKYSTITVOBNHS-JSGCOSHPSA-N 0 0 301.283 3.448 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccn(Cc2ccccc2)n1 ZINC000355960201 527587735 /nfs/dbraw/zinc/58/77/35/527587735.db2.gz UEAOCCYNYNAHSQ-UHFFFAOYSA-N 0 0 323.318 3.122 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(COC(C)(C)C)on1 ZINC000185356591 527588451 /nfs/dbraw/zinc/58/84/51/527588451.db2.gz UJIYFEWSLYFBMO-UHFFFAOYSA-N 0 0 320.311 3.180 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2ccc(C)n2)cc1 ZINC000342017999 527588520 /nfs/dbraw/zinc/58/85/20/527588520.db2.gz ZDECWEZVLDTELT-UHFFFAOYSA-N 0 0 323.318 3.371 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(C)=O)cc1F ZINC000346602288 527588680 /nfs/dbraw/zinc/58/86/80/527588680.db2.gz FZZPDGPZHJYLFY-UHFFFAOYSA-N 0 0 303.255 3.219 10 30 DGEERN C=C[C@](C)(CC)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000346165621 527607039 /nfs/dbraw/zinc/60/70/39/527607039.db2.gz IBDYYNYVTHATKO-GOSISDBHSA-N 0 0 300.402 3.136 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000346504252 527619745 /nfs/dbraw/zinc/61/97/45/527619745.db2.gz ZHJNVIZTOAHVJU-ZIFCJYIRSA-N 0 0 317.429 3.252 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000135911583 527622119 /nfs/dbraw/zinc/62/21/19/527622119.db2.gz QOLXFNFFVFJQCZ-ZDUSSCGKSA-N 0 0 304.438 3.391 10 30 DGEERN C=CCN(CC=C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000093900705 527641185 /nfs/dbraw/zinc/64/11/85/527641185.db2.gz DUPJXZVSNSQTGQ-UHFFFAOYSA-N 0 0 301.386 3.456 10 30 DGEERN CC1(C)C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C(C)(C)O1 ZINC000183051624 527738759 /nfs/dbraw/zinc/73/87/59/527738759.db2.gz WYCHXUBUHNBPMI-HNNXBMFYSA-N 0 0 312.413 3.318 10 30 DGEERN CC(C)CCOCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181488131 527758807 /nfs/dbraw/zinc/75/88/07/527758807.db2.gz XOJHZTYNSIFJHB-UHFFFAOYSA-N 0 0 300.402 3.034 10 30 DGEERN CC1(CCNc2ccc(C(F)(F)F)cc2C#N)OCCO1 ZINC000302153868 527927699 /nfs/dbraw/zinc/92/76/99/527927699.db2.gz LQNKLWXYMPBWFV-UHFFFAOYSA-N 0 0 300.280 3.142 10 30 DGEERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000181104383 528094130 /nfs/dbraw/zinc/09/41/30/528094130.db2.gz CGNYCEMWAHADQC-SJORKVTESA-N 0 0 324.424 3.319 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134334705 528117632 /nfs/dbraw/zinc/11/76/32/528117632.db2.gz LNZBELBLKBFSJY-RDJZCZTQSA-N 0 0 321.465 3.053 10 30 DGEERN CCCCCCCCCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173547637 528121895 /nfs/dbraw/zinc/12/18/95/528121895.db2.gz UJRLDPMQHOMTGX-HNNXBMFYSA-N 0 0 322.453 3.154 10 30 DGEERN CCCCCCCCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173528116 528127909 /nfs/dbraw/zinc/12/79/09/528127909.db2.gz GPQAHXAXFNJIJQ-INIZCTEOSA-N 0 0 321.469 3.375 10 30 DGEERN CCCCCCCCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173528132 528128295 /nfs/dbraw/zinc/12/82/95/528128295.db2.gz GPQAHXAXFNJIJQ-MRXNPFEDSA-N 0 0 321.469 3.375 10 30 DGEERN CCC1(CC)CN(c2c(Cl)cccc2C#N)CC[S@]1=O ZINC000302224525 529085620 /nfs/dbraw/zinc/08/56/20/529085620.db2.gz QKFUPVYDKWHDBM-FQEVSTJZSA-N 0 0 310.850 3.339 10 30 DGEERN CCC1(CC)CN(c2ccc(C#N)c(Cl)c2)CC[S@]1=O ZINC000302234094 529086286 /nfs/dbraw/zinc/08/62/86/529086286.db2.gz ZZRLQUWRDJCWML-FQEVSTJZSA-N 0 0 310.850 3.339 10 30 DGEERN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C#N)ccn1 ZINC000435991720 529166599 /nfs/dbraw/zinc/16/65/99/529166599.db2.gz BNQVESUGAKQNTE-ZDUSSCGKSA-N 0 0 315.760 3.403 10 30 DGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177930949 529213973 /nfs/dbraw/zinc/21/39/73/529213973.db2.gz XJEGVPMZRRXUIJ-UONOGXRCSA-N 0 0 307.394 3.493 10 30 DGEERN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177930973 529229615 /nfs/dbraw/zinc/22/96/15/529229615.db2.gz XJEGVPMZRRXUIJ-KBPBESRZSA-N 0 0 307.394 3.493 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1cc2ccccc2cc1NC(=O)C(C)C ZINC000179237560 529269620 /nfs/dbraw/zinc/26/96/20/529269620.db2.gz DCGLPJDAMKGNBI-HNNXBMFYSA-N 0 0 323.396 3.466 10 30 DGEERN COc1ccc(F)c(NCc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000471674848 536609294 /nfs/dbraw/zinc/60/92/94/536609294.db2.gz XMNCMLYPTVSKEI-UHFFFAOYSA-N 0 0 324.315 3.368 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000134910867 545975787 /nfs/dbraw/zinc/97/57/87/545975787.db2.gz GIKHFNREQGMENE-SFHVURJKSA-N 0 0 312.417 3.038 10 30 DGEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000328907777 546482078 /nfs/dbraw/zinc/48/20/78/546482078.db2.gz LUBYVHLPVVTKQO-YNEHKIRRSA-N 0 0 319.430 3.342 10 30 DGEERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCCOC1CCCC1 ZINC000328915382 546482385 /nfs/dbraw/zinc/48/23/85/546482385.db2.gz JPTVMADHJKNAMF-MRXNPFEDSA-N 0 0 318.417 3.200 10 30 DGEERN Cc1ccc2c(O)c(C(=O)NCC3CCSCC3)cnc2n1 ZINC000329366737 546485716 /nfs/dbraw/zinc/48/57/16/546485716.db2.gz HALCOZLHYIWNKP-UHFFFAOYSA-N 0 0 317.414 3.092 10 30 DGEERN O=C(COC[C@@H]1CCOC1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000329664829 546489345 /nfs/dbraw/zinc/48/93/45/546489345.db2.gz QNRNQDQAGGCAET-SNVBAGLBSA-N 0 0 322.336 3.001 10 30 DGEERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CC[C@@H]2CCC[C@@H]21 ZINC000330264821 546497139 /nfs/dbraw/zinc/49/71/39/546497139.db2.gz YJOXQYVAIGMEGK-GWCFXTLKSA-N 0 0 301.346 3.087 10 30 DGEERN C=CCn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000350724368 546621496 /nfs/dbraw/zinc/62/14/96/546621496.db2.gz ZOPJUVOSKCDULO-DZGCQCFKSA-N 0 0 310.401 3.049 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000355437020 546681690 /nfs/dbraw/zinc/68/16/90/546681690.db2.gz MDGMHSYHKPYJBO-LPWJVIDDSA-N 0 0 305.340 3.062 10 30 DGEERN C=CCN(CC[C@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000437692466 546826288 /nfs/dbraw/zinc/82/62/88/546826288.db2.gz OPCMNXCFYSQDLF-HZPDHXFCSA-N 0 0 301.496 3.268 10 30 DGEERN C=CC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685962111 549810839 /nfs/dbraw/zinc/81/08/39/549810839.db2.gz UTOVPCUMDQBWKS-BBRMVZONSA-N 0 0 319.401 3.240 10 30 DGEERN SCc1cc(-c2ccc(I)cc2)on1 ZINC000725253949 549811299 /nfs/dbraw/zinc/81/12/99/549811299.db2.gz TZHMOLPRZYYBIW-UHFFFAOYSA-N 0 0 317.151 3.376 10 30 DGEERN C=C(F)[C@]1(CC(=O)OC)CCCN(C(=O)OC(C)(C)C)C1 ZINC000725259472 549812024 /nfs/dbraw/zinc/81/20/24/549812024.db2.gz BXMVNGLBUVWWLL-HNNXBMFYSA-N 0 0 301.358 3.050 10 30 DGEERN C#CCOc1cccc(COC(=O)c2ccc(COC)cc2)c1 ZINC000730402906 574528787 /nfs/dbraw/zinc/52/87/87/574528787.db2.gz MBZSHYQLQIZMAS-UHFFFAOYSA-N 0 0 310.349 3.202 10 30 DGEERN C#CCOc1cccc(COC(=O)c2ccc(F)c(F)c2)c1 ZINC000730405575 574529036 /nfs/dbraw/zinc/52/90/36/574529036.db2.gz YINYWHRGXXZPBX-UHFFFAOYSA-N 0 0 302.276 3.334 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)CCc2nccs2)cc1 ZINC000730431309 574529200 /nfs/dbraw/zinc/52/92/00/574529200.db2.gz WLKXDWQZPKWWIW-ZDUSSCGKSA-N 0 0 315.394 3.392 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)CCc2nccs2)c1 ZINC000730701703 574534386 /nfs/dbraw/zinc/53/43/86/574534386.db2.gz QVWGEPCZTRNOHH-CYBMUJFWSA-N 0 0 315.394 3.392 10 30 DGEERN C=CCc1ccccc1OC(=O)CN(C)C(=O)OC(C)(C)C ZINC000730917524 574538830 /nfs/dbraw/zinc/53/88/30/574538830.db2.gz MXBYMLYPMRAJLC-UHFFFAOYSA-N 0 0 305.374 3.187 10 30 DGEERN C#CCOc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000730976790 574540685 /nfs/dbraw/zinc/54/06/85/574540685.db2.gz ZRKVAWBEXJIOLW-MOPGFXCFSA-N 0 0 321.376 3.449 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@@H](COC)c2ccccc2)cc1 ZINC000731113223 574543863 /nfs/dbraw/zinc/54/38/63/574543863.db2.gz MHIDSHADGRLNOG-SFHVURJKSA-N 0 0 324.380 3.208 10 30 DGEERN C[C@@H]1C[C@@H](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC(C)(C)C1 ZINC000732651148 574577828 /nfs/dbraw/zinc/57/78/28/574577828.db2.gz XPBJQUQQNICLLX-HLLBOEOZSA-N 0 0 317.477 3.038 10 30 DGEERN COc1ccc(OC(F)F)c(C=NNc2ccc(C)cn2)c1 ZINC000732924668 574588120 /nfs/dbraw/zinc/58/81/20/574588120.db2.gz CLAMVCSRMRAPFX-UHFFFAOYSA-N 0 0 307.300 3.446 10 30 DGEERN C#CCCNC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000733357534 574617863 /nfs/dbraw/zinc/61/78/63/574617863.db2.gz VWVZHMBJAABOMH-IBGZPJMESA-N 0 0 322.408 3.416 10 30 DGEERN C#CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000733628508 574632661 /nfs/dbraw/zinc/63/26/61/574632661.db2.gz PHQRSPVIWABXPN-UHFFFAOYSA-N 0 0 305.337 3.495 10 30 DGEERN C#CCCNC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000733617262 574632674 /nfs/dbraw/zinc/63/26/74/574632674.db2.gz RYZRGGYBLWSHKE-UHFFFAOYSA-N 0 0 321.352 3.157 10 30 DGEERN C#CCCNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000733632666 574632712 /nfs/dbraw/zinc/63/27/12/574632712.db2.gz JXABNFFLNVOXFS-UHFFFAOYSA-N 0 0 322.364 3.188 10 30 DGEERN C#CCCNC(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000733648846 574633080 /nfs/dbraw/zinc/63/30/80/574633080.db2.gz RIUOWTAFGQMFQW-GOSISDBHSA-N 0 0 308.381 3.129 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@@H]2CCCC[C@H]2C)c1 ZINC000733698727 574634619 /nfs/dbraw/zinc/63/46/19/574634619.db2.gz YGVQBCQBNKVOAD-CRAIPNDOSA-N 0 0 316.397 3.337 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@H](CC)OC2CCCC2)c1 ZINC000733698706 574634802 /nfs/dbraw/zinc/63/48/02/574634802.db2.gz XYQKEIYPHLFPJY-SFHVURJKSA-N 0 0 316.397 3.480 10 30 DGEERN C=C(COC(=O)/C=C/c1cc(C)c(C)cc1C)C(=O)OCC ZINC000734027289 574647543 /nfs/dbraw/zinc/64/75/43/574647543.db2.gz QIONKYRPMUPICC-BQYQJAHWSA-N 0 0 302.370 3.288 10 30 DGEERN C=C(COC(=O)c1cc2cc(Cl)ccc2o1)C(=O)OCC ZINC000734025486 574648289 /nfs/dbraw/zinc/64/82/89/574648289.db2.gz RXSQMEAPHHGEAO-UHFFFAOYSA-N 0 0 308.717 3.362 10 30 DGEERN C=C(COC(=O)CSc1ccccc1Cl)C(=O)OCC ZINC000734023710 574648310 /nfs/dbraw/zinc/64/83/10/574648310.db2.gz XSLPRGCKDWBQIT-UHFFFAOYSA-N 0 0 314.790 3.095 10 30 DGEERN Fc1cc(F)c(N=NCc2ccc(-n3cncn3)cc2)cc1F ZINC000734301835 574655588 /nfs/dbraw/zinc/65/55/88/574655588.db2.gz RMOGVEXIGSHFGX-UHFFFAOYSA-N 0 0 317.274 3.131 10 30 DGEERN C=CC[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccncc1 ZINC000734460901 574663590 /nfs/dbraw/zinc/66/35/90/574663590.db2.gz SMFKDRHOHSICQU-HNNXBMFYSA-N 0 0 320.352 3.179 10 30 DGEERN C=C(C)CN(CC)C(=O)CSC[C@H]1OCCc2ccccc21 ZINC000734513077 574665893 /nfs/dbraw/zinc/66/58/93/574665893.db2.gz VETRNUYGGHQUNE-QGZVFWFLSA-N 0 0 319.470 3.458 10 30 DGEERN C=CC[C@H](NC(=O)NCCc1ccsc1)c1ccncc1 ZINC000734657173 574671684 /nfs/dbraw/zinc/67/16/84/574671684.db2.gz CQEDARRNYQJFTN-HNNXBMFYSA-N 0 0 301.415 3.302 10 30 DGEERN C=CC[C@@H](NC(=O)NCc1csc(CC)n1)c1ccncc1 ZINC000734670133 574672815 /nfs/dbraw/zinc/67/28/15/574672815.db2.gz ZYWDAPSZGIINGF-CQSZACIVSA-N 0 0 316.430 3.217 10 30 DGEERN C=CC[C@H](NC(=O)N1CCc2cc(OC)ccc21)c1ccncc1 ZINC000734682155 574673079 /nfs/dbraw/zinc/67/30/79/574673079.db2.gz AHBOMJHMVAJIDH-KRWDZBQOSA-N 0 0 323.396 3.480 10 30 DGEERN CCCCCC[C@@H](CC)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000735012780 574685576 /nfs/dbraw/zinc/68/55/76/574685576.db2.gz HYXLPZSPVNIOOC-WBVHZDCISA-N 0 0 305.466 3.182 10 30 DGEERN CCCNC(=O)CSCc1cc(Cl)ccc1OCC#N ZINC000735318325 574697483 /nfs/dbraw/zinc/69/74/83/574697483.db2.gz LCYDJOVJCSZVNR-UHFFFAOYSA-N 0 0 312.822 3.002 10 30 DGEERN N#Cc1ccc(CNCc2occc2Br)c(F)c1 ZINC000735323533 574697929 /nfs/dbraw/zinc/69/79/29/574697929.db2.gz ZSUKAZUXGHCMFR-UHFFFAOYSA-N 0 0 309.138 3.343 10 30 DGEERN C=CCCC(=O)O[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000735348766 574699296 /nfs/dbraw/zinc/69/92/96/574699296.db2.gz HTJODGIOJFNYCH-OAHLLOKOSA-N 0 0 305.349 3.139 10 30 DGEERN C=CCCCN(C)Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000736581381 574759339 /nfs/dbraw/zinc/75/93/39/574759339.db2.gz CCQDIVBXKRCBOZ-UHFFFAOYSA-N 0 0 323.853 3.307 10 30 DGEERN CCc1ocnc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000740273544 574930699 /nfs/dbraw/zinc/93/06/99/574930699.db2.gz OPFUNGGLFNOQDZ-UHFFFAOYSA-N 0 0 320.732 3.150 10 30 DGEERN C#CCOc1ccc(C(=O)OCCCc2cccc(C)n2)cc1 ZINC000741509905 574960735 /nfs/dbraw/zinc/96/07/35/574960735.db2.gz BYSAQXOSNGEFMD-UHFFFAOYSA-N 0 0 309.365 3.192 10 30 DGEERN C#CCOc1ccc(C(=O)NCc2ccc(SC)cc2)cc1 ZINC000741548191 574962434 /nfs/dbraw/zinc/96/24/34/574962434.db2.gz ZNNFCSAQNWXUOP-UHFFFAOYSA-N 0 0 311.406 3.351 10 30 DGEERN CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000741678293 574966472 /nfs/dbraw/zinc/96/64/72/574966472.db2.gz NEQKXXIULQRORI-DZGCQCFKSA-N 0 0 306.356 3.467 10 30 DGEERN CC(N=Nc1nc(C(F)(F)F)nc2ccccc21)[C@@H]1CCOC1 ZINC000741760544 574969046 /nfs/dbraw/zinc/96/90/46/574969046.db2.gz ZIEMABLXWYZFII-SNVBAGLBSA-N 0 0 324.306 3.473 10 30 DGEERN Cc1cc(F)ccc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC000742319625 574990418 /nfs/dbraw/zinc/99/04/18/574990418.db2.gz XBQUAVLRQDYPTL-UHFFFAOYSA-N 0 0 319.357 3.390 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1cc(OC)ccc1OC ZINC000742376605 574994106 /nfs/dbraw/zinc/99/41/06/574994106.db2.gz ZEFDXGINJAFBPR-UHFFFAOYSA-N 0 0 315.344 3.467 10 30 DGEERN COc1ccc(OC)c(CNCc2cc(C#N)ccc2F)c1 ZINC000742381842 574994690 /nfs/dbraw/zinc/99/46/90/574994690.db2.gz NEUOSUNUYPMCHT-UHFFFAOYSA-N 0 0 300.333 3.004 10 30 DGEERN C#CCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000742592181 575007781 /nfs/dbraw/zinc/00/77/81/575007781.db2.gz JNDNOVBUWRATHO-CQSZACIVSA-N 0 0 322.449 3.084 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)c1 ZINC000743086173 575035139 /nfs/dbraw/zinc/03/51/39/575035139.db2.gz WSFMMLRFPCSKAH-INIZCTEOSA-N 0 0 310.401 3.291 10 30 DGEERN C=CCOCC(=O)OCCOc1c(Cl)cccc1Cl ZINC000729766495 575262835 /nfs/dbraw/zinc/26/28/35/575262835.db2.gz QTDVICDVPSIXMH-UHFFFAOYSA-N 0 0 305.157 3.118 10 30 DGEERN C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(C#N)cc1F ZINC000729821047 575264231 /nfs/dbraw/zinc/26/42/31/575264231.db2.gz DFZABMAQTXRGKY-XHDPSFHLSA-N 0 0 305.422 3.240 10 30 DGEERN N#Cc1ccsc1C(=O)Oc1ccc2c(c1)OCCCO2 ZINC000726758594 576039603 /nfs/dbraw/zinc/03/96/03/576039603.db2.gz QMCMYBRXMAAJHI-UHFFFAOYSA-N 0 0 301.323 3.000 10 30 DGEERN C#CCCCOC(=O)c1cnn(Cc2ccccc2)c1CCC ZINC000727040875 576097054 /nfs/dbraw/zinc/09/70/54/576097054.db2.gz JUELNLVPHFCUJZ-UHFFFAOYSA-N 0 0 310.397 3.454 10 30 DGEERN Cc1ccc([N-][NH+]=Cc2ccccc2N2CCO[C@H](C)C2)nc1 ZINC000727260100 576116117 /nfs/dbraw/zinc/11/61/17/576116117.db2.gz QTVUQVVXVNTPKU-OAHLLOKOSA-N 0 0 310.401 3.061 10 30 DGEERN CC(=[NH+][N-]c1ccc(C)cn1)c1cccc(N2CCOCC2)c1 ZINC000727259375 576116368 /nfs/dbraw/zinc/11/63/68/576116368.db2.gz BIQRXFXZGOEUOH-UHFFFAOYSA-N 0 0 310.401 3.063 10 30 DGEERN COc1cccc(C=NNc2ccc(C)cn2)c1OC(F)F ZINC000727260583 576116751 /nfs/dbraw/zinc/11/67/51/576116751.db2.gz ZPDQBFXDAJZUSW-UHFFFAOYSA-N 0 0 307.300 3.446 10 30 DGEERN Cc1ccc(N=NC(C)c2ccc(N3CCCC3=O)cc2)nc1 ZINC000727260439 576116822 /nfs/dbraw/zinc/11/68/22/576116822.db2.gz VXYPYIBZUIWMBM-UHFFFAOYSA-N 0 0 308.385 3.353 10 30 DGEERN C=C(C)CNC(=S)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728226879 576170303 /nfs/dbraw/zinc/17/03/03/576170303.db2.gz MXKSXNMDQSEHMH-ZDUSSCGKSA-N 0 0 304.415 3.003 10 30 DGEERN C#Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nc1 ZINC000728805214 576207059 /nfs/dbraw/zinc/20/70/59/576207059.db2.gz SIVBYOOQFBOHMX-CQSZACIVSA-N 0 0 304.393 3.433 10 30 DGEERN Cc1ccc2c(c1)OCCN2C(=O)[C@H](C)Oc1ccccc1C#N ZINC000154771156 620716733 /nfs/dbraw/zinc/71/67/33/620716733.db2.gz QYIAPYZTJBITBX-AWEZNQCLSA-N 0 0 322.364 3.060 10 30 DGEERN C=CCNC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000134751503 617640268 /nfs/dbraw/zinc/64/02/68/617640268.db2.gz KNYJHNQRENOTFM-IBGZPJMESA-N 0 0 324.424 3.426 10 30 DGEERN CCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C=O ZINC000757136062 617646142 /nfs/dbraw/zinc/64/61/42/617646142.db2.gz BTGIZBIDSREMHQ-UHFFFAOYSA-N 0 0 310.144 3.388 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000135087558 617784715 /nfs/dbraw/zinc/78/47/15/617784715.db2.gz IYOHRNIDEBFVLE-AWEZNQCLSA-N 0 0 310.438 3.058 10 30 DGEERN Cc1ccnc2c1CCN2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000888077515 618016456 /nfs/dbraw/zinc/01/64/56/618016456.db2.gz GESNWSULUNNLLD-UHFFFAOYSA-N 0 0 321.380 3.008 10 30 DGEERN C#CCN(CC#C)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000121314531 619051737 /nfs/dbraw/zinc/05/17/37/619051737.db2.gz MMPIUILXYQQUQW-ZWKOTPCHSA-N 0 0 303.446 3.237 10 30 DGEERN C#CCCCCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151403367 620444774 /nfs/dbraw/zinc/44/47/74/620444774.db2.gz VMUZONAXZQSISJ-OAHLLOKOSA-N 0 0 310.401 3.036 10 30 DGEERN C#C[C@@H](OC(=O)c1cc(OC)ccc1Br)C1CC1 ZINC000152347981 620502138 /nfs/dbraw/zinc/50/21/38/620502138.db2.gz DLWRDBBUOJYRKJ-CYBMUJFWSA-N 0 0 309.159 3.026 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000152521198 620511690 /nfs/dbraw/zinc/51/16/90/620511690.db2.gz ZXDSGOWOMHZXBO-AWEZNQCLSA-N 0 0 312.335 3.263 10 30 DGEERN C#C[C@@H](OC(=O)CCC(=O)c1ccc(OCC)cc1)C1CC1 ZINC000152626052 620515651 /nfs/dbraw/zinc/51/56/51/620515651.db2.gz HENHEIYWAIMYLG-QGZVFWFLSA-N 0 0 300.354 3.003 10 30 DGEERN O=C(C#Cc1ccccc1)NCc1cccc(-c2ccccn2)c1 ZINC000152920184 620528642 /nfs/dbraw/zinc/52/86/42/620528642.db2.gz KPYHJKMGOZHNAA-UHFFFAOYSA-N 0 0 312.372 3.417 10 30 DGEERN CC(C)(C)OC(=O)NCCCCCC(=O)NC1(C#N)CCCC1 ZINC000152960413 620529559 /nfs/dbraw/zinc/52/95/59/620529559.db2.gz CUNRUZANFILKQE-UHFFFAOYSA-N 0 0 323.437 3.024 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000153426132 620562777 /nfs/dbraw/zinc/56/27/77/620562777.db2.gz XWBISVMGZNDKJT-JOYOIKCWSA-N 0 0 309.749 3.083 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000153884355 620620766 /nfs/dbraw/zinc/62/07/66/620620766.db2.gz LICPFKFDPVKUJC-KDOFPFPSSA-N 0 0 309.365 3.362 10 30 DGEERN C=C(Br)CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114523605 621009069 /nfs/dbraw/zinc/00/90/69/621009069.db2.gz FNQLIUKGWUMZEN-AWEZNQCLSA-N 0 0 313.239 3.427 10 30 DGEERN Oc1ccc(/C=N/Cc2ccccc2OC2CCC2)c(O)c1O ZINC000118169806 621503935 /nfs/dbraw/zinc/50/39/35/621503935.db2.gz ZPEVWBNGJQVTDP-YBFXNURJSA-N 0 0 313.353 3.354 10 30 DGEERN C#CCN(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)C1CCCC1 ZINC000119100733 621619805 /nfs/dbraw/zinc/61/98/05/621619805.db2.gz CKVOXYOGXNYHGH-IRXDYDNUSA-N 0 0 300.377 3.269 10 30 DGEERN CC1(C)Oc2ccc(NCc3cnc4ccc(C#N)cn34)cc2O1 ZINC000119370099 621658214 /nfs/dbraw/zinc/65/82/14/621658214.db2.gz OSCMOTIPHATLFP-UHFFFAOYSA-N 0 0 320.352 3.325 10 30 DGEERN C#CCCCCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000119571544 621697290 /nfs/dbraw/zinc/69/72/90/621697290.db2.gz YVSQGPDJSDNLRK-UHFFFAOYSA-N 0 0 315.413 3.388 10 30 DGEERN C#CCN(C(=O)NCc1ccc(OCC)c(F)c1)C1CCCC1 ZINC000120612410 621947806 /nfs/dbraw/zinc/94/78/06/621947806.db2.gz GXNNMIKZJJHPIR-UHFFFAOYSA-N 0 0 318.392 3.312 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000120709292 621981818 /nfs/dbraw/zinc/98/18/18/621981818.db2.gz DAXQMEXNISXOJV-STQMWFEESA-N 0 0 304.365 3.490 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000121618504 622167124 /nfs/dbraw/zinc/16/71/24/622167124.db2.gz BXNJCADOCSUMAZ-AWEZNQCLSA-N 0 0 303.749 3.231 10 30 DGEERN C#CCN(C(=O)NC[C@H](C)Oc1ccccc1F)C1CCCC1 ZINC000123025757 622447311 /nfs/dbraw/zinc/44/73/11/622447311.db2.gz FNCIUZJHXHYJDF-AWEZNQCLSA-N 0 0 318.392 3.180 10 30 DGEERN COc1ccc(NCc2cnc3ccc(C#N)cn23)cc1Cl ZINC000123394186 622524092 /nfs/dbraw/zinc/52/40/92/622524092.db2.gz ZXKKUBJUWKRCPU-UHFFFAOYSA-N 0 0 312.760 3.480 10 30 DGEERN C[C@@H](OC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000125967368 623625037 /nfs/dbraw/zinc/62/50/37/623625037.db2.gz DSIVLQPWOCPSJZ-CHWSQXEVSA-N 0 0 324.421 3.115 10 30 DGEERN CCCN(CC)c1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cn1 ZINC000127651326 624501139 /nfs/dbraw/zinc/50/11/39/624501139.db2.gz CPKJNWLTJWXDFK-CQSZACIVSA-N 0 0 303.406 3.413 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSC2CCCCC2)c1 ZINC000130237213 625829270 /nfs/dbraw/zinc/82/92/70/625829270.db2.gz BQUQGZLWEUUVMO-UHFFFAOYSA-N 0 0 309.456 3.398 10 30 DGEERN C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(C)(C)C#N ZINC000130401267 625847645 /nfs/dbraw/zinc/84/76/45/625847645.db2.gz VCKRCGZLAQCDII-YUTCNCBUSA-N 0 0 315.369 3.043 10 30 DGEERN COC[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000103640364 626394916 /nfs/dbraw/zinc/39/49/16/626394916.db2.gz RSRDMXVBQPHCMP-WPRPVWTQSA-N 0 0 308.790 3.408 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)/C=C/c2ccnc(Cl)c2)c1 ZINC000131416512 626637636 /nfs/dbraw/zinc/63/76/36/626637636.db2.gz MHOAIDGQTHKRPT-DUXPYHPUSA-N 0 0 315.735 3.075 10 30 DGEERN C#CCCCCNC(=O)NCc1csc(-c2ccccc2)n1 ZINC000133097163 626765671 /nfs/dbraw/zinc/76/56/71/626765671.db2.gz XSHWNVVISYKTRT-UHFFFAOYSA-N 0 0 313.426 3.413 10 30 DGEERN C#CCN(Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCCC1 ZINC000135285448 626921552 /nfs/dbraw/zinc/92/15/52/626921552.db2.gz GKUWYPYOGBZITC-UHFFFAOYSA-N 0 0 317.339 3.393 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)O[C@H](C#N)C(C)C)cc2)n1 ZINC000121595318 631204928 /nfs/dbraw/zinc/20/49/28/631204928.db2.gz QZWWZDDHHJGGGC-QGZVFWFLSA-N 0 0 311.385 3.253 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)Oc2ccc(C#N)cc2OC)c1 ZINC000106596661 631346222 /nfs/dbraw/zinc/34/62/22/631346222.db2.gz NRRQSIRTUKORPN-HZPDHXFCSA-N 0 0 323.348 3.285 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccc(C#N)cc2)c1 ZINC000106931712 631488854 /nfs/dbraw/zinc/48/88/54/631488854.db2.gz KUSRASPDKYQGIP-QZTJIDSGSA-N 0 0 307.349 3.414 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@H](C)OCc1ccccc1 ZINC000107191519 631560240 /nfs/dbraw/zinc/56/02/40/631560240.db2.gz CPXHFGWAUDSEEB-HNNXBMFYSA-N 0 0 310.349 3.209 10 30 DGEERN C#CCOc1cccc(NC(=O)c2ccc(-c3ncon3)cc2)c1 ZINC000108184566 631823592 /nfs/dbraw/zinc/82/35/92/631823592.db2.gz COSSDSUIXCLOMS-UHFFFAOYSA-N 0 0 319.320 3.001 10 30 DGEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000108828697 631946682 /nfs/dbraw/zinc/94/66/82/631946682.db2.gz AJCBRPSLWVJLOE-KRWDZBQOSA-N 0 0 311.360 3.265 10 30 DGEERN COc1ccc(OCCCC(=O)OCC(C)(C)CC#N)cc1 ZINC000184805586 660188527 /nfs/dbraw/zinc/18/85/27/660188527.db2.gz SFPOCXQSAXPNGP-UHFFFAOYSA-N 0 0 305.374 3.337 10 30 DGEERN CC(C)(CC#N)COC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000184826653 660189424 /nfs/dbraw/zinc/18/94/24/660189424.db2.gz MGMTZCANJLWVTH-UHFFFAOYSA-N 0 0 311.385 3.288 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000195043119 660209919 /nfs/dbraw/zinc/20/99/19/660209919.db2.gz IVQVNBPJLPVUAU-NSHDSACASA-N 0 0 308.403 3.481 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000175096398 659915835 /nfs/dbraw/zinc/91/58/35/659915835.db2.gz KXTGDJLWQMVHHI-SICOMBFOSA-N 0 0 316.376 3.244 10 30 DGEERN CCOC(=O)c1cccc(OC(=O)CCc2ccc(C#N)cc2)c1 ZINC000073077310 660238873 /nfs/dbraw/zinc/23/88/73/660238873.db2.gz OIPFEIGVHUOODK-UHFFFAOYSA-N 0 0 323.348 3.273 10 30 DGEERN C=CCOCCCC(=O)OC[C@H]1CCO[C@H]1c1ccccc1 ZINC000185845647 660248277 /nfs/dbraw/zinc/24/82/77/660248277.db2.gz RWFCINWBDSPSMH-AEFFLSMTSA-N 0 0 304.386 3.290 10 30 DGEERN C#CC[C@H](OC(=O)CCc1cccc(OC)c1)c1ccccn1 ZINC000073294142 660261352 /nfs/dbraw/zinc/26/13/52/660261352.db2.gz JZSABEUODNFBKC-SFHVURJKSA-N 0 0 309.365 3.331 10 30 DGEERN C#C[C@H]1CCCN(C(=O)CCc2cccc(Br)c2)C1 ZINC000700567066 660628215 /nfs/dbraw/zinc/62/82/15/660628215.db2.gz FIKCHABEDWPMJH-ZDUSSCGKSA-N 0 0 320.230 3.254 10 30 DGEERN C#C[C@H](NC(=O)/C=C/c1ccc(Br)o1)C(C)(C)C ZINC000702225307 660716863 /nfs/dbraw/zinc/71/68/63/660716863.db2.gz WVVRNAHAIFVRPC-DJYGCBNOSA-N 0 0 310.191 3.219 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)C1 ZINC000704233746 660806066 /nfs/dbraw/zinc/80/60/66/660806066.db2.gz HQOOZSQFAJHNBO-CYBMUJFWSA-N 0 0 307.846 3.445 10 30 DGEERN C#C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC000704342943 660807747 /nfs/dbraw/zinc/80/77/47/660807747.db2.gz UNJOMLKKULGXTA-CYBMUJFWSA-N 0 0 300.185 3.146 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(Cl)nc(CC)c1 ZINC000708359777 660920285 /nfs/dbraw/zinc/92/02/85/660920285.db2.gz SXMUXOUDBQXUCJ-UHFFFAOYSA-N 0 0 306.715 3.488 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000175325606 655543603 /nfs/dbraw/zinc/54/36/03/655543603.db2.gz DYNLRELANCSFBQ-LBPRGKRZSA-N 0 0 310.296 3.255 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000187583924 655552199 /nfs/dbraw/zinc/55/21/99/655552199.db2.gz OVKYEJIIKBRLSO-UGSOOPFHSA-N 0 0 320.385 3.291 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@H](C)Cc1ccc(OC)cc1 ZINC000187593257 655552253 /nfs/dbraw/zinc/55/22/53/655552253.db2.gz HZCTZJINCJENPC-RDTXWAMCSA-N 0 0 306.402 3.398 10 30 DGEERN C=C[C@H](C)OC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000187618719 655553474 /nfs/dbraw/zinc/55/34/74/655553474.db2.gz OYEUMQFIEKUAFA-ZDUSSCGKSA-N 0 0 317.414 3.094 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255085161 655595708 /nfs/dbraw/zinc/59/57/08/655595708.db2.gz XTFDVHIBHKMOAL-HYXAFXHYSA-N 0 0 314.728 3.234 10 30 DGEERN CON=Cc1ccc(C(=O)OCCCc2cccc(C)n2)cc1 ZINC000255094394 655597665 /nfs/dbraw/zinc/59/76/65/655597665.db2.gz QRQUISHLIOLCGB-UHFFFAOYSA-N 0 0 312.369 3.160 10 30 DGEERN Cc1c(C(=O)/C=C\c2cccnc2C)nnn1-c1ccc(F)cc1 ZINC000255164552 655618815 /nfs/dbraw/zinc/61/88/15/655618815.db2.gz AMKHAQPZVFSKMU-YHYXMXQVSA-N 0 0 322.343 3.314 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000175875001 655618944 /nfs/dbraw/zinc/61/89/44/655618944.db2.gz MRMJDJHUFAPWIV-UONOGXRCSA-N 0 0 310.438 3.152 10 30 DGEERN O=C(/C=C\c1c(Cl)nc2sccn12)c1cc(O)ccc1O ZINC000255192810 655635462 /nfs/dbraw/zinc/63/54/62/655635462.db2.gz NSIUFXMMTDQHDN-RQOWECAXSA-N 0 0 320.757 3.357 10 30 DGEERN Cn1cc(C(=O)/C=C/c2cccc(OCC(F)(F)F)c2)cn1 ZINC000121443851 655710640 /nfs/dbraw/zinc/71/06/40/655710640.db2.gz ISDPZBHJBNIGLI-AATRIKPKSA-N 0 0 310.275 3.257 10 30 DGEERN C#Cc1cccc(NC(=O)NCCc2cc(F)ccc2F)c1 ZINC000176285489 655748188 /nfs/dbraw/zinc/74/81/88/655748188.db2.gz NYWTTYAJIAKNMM-UHFFFAOYSA-N 0 0 300.308 3.310 10 30 DGEERN c1ccc2c(c1)OCCC2=NOCc1nc(C2CCCC2)no1 ZINC000255495277 655768695 /nfs/dbraw/zinc/76/86/95/655768695.db2.gz HNZBEJKEKWRGNJ-UHFFFAOYSA-N 0 0 313.357 3.431 10 30 DGEERN Cc1ccc(CCCC(=O)[C@H](C#N)C(=O)NC2CCCC2)cc1 ZINC000051653828 655775525 /nfs/dbraw/zinc/77/55/25/655775525.db2.gz UDXMESICHQWWKL-KRWDZBQOSA-N 0 0 312.413 3.085 10 30 DGEERN COc1ccccc1[C@H](O)C/N=C\c1cc(Cl)ccc1O ZINC000255519924 655789700 /nfs/dbraw/zinc/78/97/00/655789700.db2.gz YLBDAQKDUZYKBY-FNMPFJKNSA-N 0 0 305.761 3.207 10 30 DGEERN CCOc1cccc(/C=N\[C@@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000255545689 655793624 /nfs/dbraw/zinc/79/36/24/655793624.db2.gz LRDCAEGIKLUEJZ-XHEYCZLTSA-N 0 0 315.417 3.191 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000187624759 655796932 /nfs/dbraw/zinc/79/69/32/655796932.db2.gz SEHGGHYQCGPNQW-CZUORRHYSA-N 0 0 307.415 3.202 10 30 DGEERN CCc1cc(C(=O)NCc2ccc(OCC#N)cc2)oc1CC ZINC000178719928 655799716 /nfs/dbraw/zinc/79/97/16/655799716.db2.gz ZHAAGERNXJUQIY-UHFFFAOYSA-N 0 0 312.369 3.237 10 30 DGEERN C[C@@H](ON=CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000255560896 655800738 /nfs/dbraw/zinc/80/07/38/655800738.db2.gz OSAJHBDKQZARRW-GFCCVEGCSA-N 0 0 313.313 3.297 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)c1nc(C)sc1C ZINC000178744024 655802232 /nfs/dbraw/zinc/80/22/32/655802232.db2.gz MVHFVGWOZLBLFK-UHFFFAOYSA-N 0 0 304.346 3.163 10 30 DGEERN N#Cc1ccc(OC(=O)/C=C\c2cnc3ccccc3n2)cc1 ZINC000255573889 655821099 /nfs/dbraw/zinc/82/10/99/655821099.db2.gz QSWAIGSCBUVFOW-YFHOEESVSA-N 0 0 301.305 3.120 10 30 DGEERN N#Cc1ccc(CNCc2ncc(Br)s2)cc1 ZINC000713714446 661193612 /nfs/dbraw/zinc/19/36/12/661193612.db2.gz FEYNAOUWEMSTEF-UHFFFAOYSA-N 0 0 308.204 3.067 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nc(C(C)(C)C)no1)C(C)(C)C ZINC000159846687 655853479 /nfs/dbraw/zinc/85/34/79/655853479.db2.gz XASMBHXMTPFUFA-GFCCVEGCSA-N 0 0 306.406 3.281 10 30 DGEERN C[C@@H](Oc1cccc(Br)c1)C(=O)O[C@@H](C#N)C1CC1 ZINC000177015813 655886880 /nfs/dbraw/zinc/88/68/80/655886880.db2.gz GWIAVUSLHVPOEE-RNCFNFMXSA-N 0 0 324.174 3.062 10 30 DGEERN COc1cccc(/C=N\[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000255734230 655892494 /nfs/dbraw/zinc/89/24/94/655892494.db2.gz LDLBHYKSISTAFM-SMEDBKPVSA-N 0 0 324.380 3.015 10 30 DGEERN C=CCOc1ccc(/C=C\C(=O)OCC(F)(F)F)cc1OC ZINC000255776492 655901969 /nfs/dbraw/zinc/90/19/69/655901969.db2.gz QCRDLQOUJWUBKO-ALCCZGGFSA-N 0 0 316.275 3.379 10 30 DGEERN C=CCC(CC=C)C(=O)O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177208841 655917196 /nfs/dbraw/zinc/91/71/96/655917196.db2.gz GFMHUNPIHMCRLY-CQSZACIVSA-N 0 0 309.406 3.307 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1nc(-c2ccco2)oc1C)C(C)C ZINC000177741272 655944414 /nfs/dbraw/zinc/94/44/14/655944414.db2.gz XRQOFRDSBHMXSE-CQSZACIVSA-N 0 0 301.342 3.377 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc2c(c1)CCC2 ZINC000066292349 655944963 /nfs/dbraw/zinc/94/49/63/655944963.db2.gz RQHZTCOESSBWEN-UHFFFAOYSA-N 0 0 313.319 3.131 10 30 DGEERN COc1cccc(/C=N\[C@@H](C)c2ccc3c(c2)OCCO3)c1O ZINC000255882710 655947869 /nfs/dbraw/zinc/94/78/69/655947869.db2.gz RKHRXDKEBNLRDL-XHEYCZLTSA-N 0 0 313.353 3.352 10 30 DGEERN COc1ccc(C(=O)/C=C\c2cncs2)cc1NC(C)=O ZINC000255918283 655967842 /nfs/dbraw/zinc/96/78/42/655967842.db2.gz KJUAMYWLQHTBFH-PLNGDYQASA-N 0 0 302.355 3.006 10 30 DGEERN N#Cc1cc(NC2CCC3(CC2)OCCO3)nc2ccccc12 ZINC000715652646 661213455 /nfs/dbraw/zinc/21/34/55/661213455.db2.gz GJNQRHLZBTZSDX-UHFFFAOYSA-N 0 0 309.369 3.204 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715796915 661214632 /nfs/dbraw/zinc/21/46/32/661214632.db2.gz OXYIXFCDNNBMCE-UFBFGSQYSA-N 0 0 313.170 3.076 10 30 DGEERN C#CC[C@@H](COC)Nc1nc2cc(Br)ccc2o1 ZINC000716395800 661222949 /nfs/dbraw/zinc/22/29/49/661222949.db2.gz RPSNLGUDWWGMGI-JTQLQIEISA-N 0 0 309.163 3.041 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000188100296 656143533 /nfs/dbraw/zinc/14/35/33/656143533.db2.gz ITZIPZCDQQONAZ-GFCCVEGCSA-N 0 0 307.321 3.033 10 30 DGEERN O=C(Nc1cnc2c(c1)CCCC2)N[C@@H]1COc2ccccc21 ZINC000329473055 656155558 /nfs/dbraw/zinc/15/55/58/656155558.db2.gz SMVBUFNNLPAWQU-MRXNPFEDSA-N 0 0 309.369 3.229 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000299986139 656231294 /nfs/dbraw/zinc/23/12/94/656231294.db2.gz LMPYSHSFIAPEMV-BYNSBNAKSA-N 0 0 307.438 3.104 10 30 DGEERN O=c1[nH]c2ccccc2cc1/C=N/[C@@H]1CCOc2ccccc21 ZINC000027067483 656265041 /nfs/dbraw/zinc/26/50/41/656265041.db2.gz GBJMTTNHYFKIJP-XNHPLOEXSA-N 0 0 304.349 3.471 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@H]1CCCN(C(=O)CCC)C1 ZINC000125248537 656268938 /nfs/dbraw/zinc/26/89/38/656268938.db2.gz GEMCHOKXRUJNDZ-INIZCTEOSA-N 0 0 315.413 3.359 10 30 DGEERN C=CCC1(O)CCN(Cc2ccsc2Br)CC1 ZINC000717429923 661264615 /nfs/dbraw/zinc/26/46/15/661264615.db2.gz PMAQYAIDCJBBNF-UHFFFAOYSA-N 0 0 316.264 3.414 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@H]1CC[C@H](C2CC2)O1 ZINC000722338083 656456138 /nfs/dbraw/zinc/45/61/38/656456138.db2.gz RPSZHUODBVAZOB-CHWSQXEVSA-N 0 0 322.206 3.085 10 30 DGEERN CN(C)Cc1csc(CNc2ccc(C#N)cc2Cl)n1 ZINC000722392011 656656232 /nfs/dbraw/zinc/65/62/32/656656232.db2.gz KOTWZCNWDVNAST-UHFFFAOYSA-N 0 0 306.822 3.342 10 30 DGEERN CC(C)CCN(CCC#N)S(=O)(=O)/C=C\c1ccccc1 ZINC000299737417 657289172 /nfs/dbraw/zinc/28/91/72/657289172.db2.gz KBLOIKAWMQSRGI-UVTDQMKNSA-N 0 0 306.431 3.249 10 30 DGEERN C=CCOc1ccc(COC(=O)c2ncccc2OCC)cc1 ZINC000183571720 657380804 /nfs/dbraw/zinc/38/08/04/657380804.db2.gz HZNINHQEIQMDAG-UHFFFAOYSA-N 0 0 313.353 3.402 10 30 DGEERN C#CCCCCCOC(=O)c1cnn(-c2ccccn2)c1CC ZINC000185327856 657394710 /nfs/dbraw/zinc/39/47/10/657394710.db2.gz IBAQURZWTAEVFS-UHFFFAOYSA-N 0 0 311.385 3.180 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000305320242 657710926 /nfs/dbraw/zinc/71/09/26/657710926.db2.gz NYXBUADWCJWPSG-QGZVFWFLSA-N 0 0 324.336 3.307 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O ZINC000098125370 657912412 /nfs/dbraw/zinc/91/24/12/657912412.db2.gz KRHMNEIQLPKKCF-XFXZXTDPSA-N 0 0 311.293 3.262 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccc3c(c1)OCCO3)C2=O ZINC000098125376 657912743 /nfs/dbraw/zinc/91/27/43/657912743.db2.gz AKMIDVDOFQFVLS-LCYFTJDESA-N 0 0 324.332 3.125 10 30 DGEERN C=CCCO[C@H](C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000067801522 658746191 /nfs/dbraw/zinc/74/61/91/658746191.db2.gz SIDSGMGUZVSZCA-UKRRQHHQSA-N 0 0 305.349 3.032 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000437191569 658821582 /nfs/dbraw/zinc/82/15/82/658821582.db2.gz VILQYUCHZZYLDK-UHFFFAOYSA-N 0 0 320.396 3.485 10 30 DGEERN C#CCCCCNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000156362605 658915847 /nfs/dbraw/zinc/91/58/47/658915847.db2.gz VCEBPFUGVRDILR-UHFFFAOYSA-N 0 0 301.777 3.059 10 30 DGEERN Cc1nc(C)c(COC(=O)[C@@H](C)Oc2ccccc2C#N)s1 ZINC000170686288 659226693 /nfs/dbraw/zinc/22/66/93/659226693.db2.gz HZDMOSJDGZHOND-LLVKDONJSA-N 0 0 316.382 3.142 10 30 DGEERN C#Cc1cccc(N(C)C(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000171196652 659266524 /nfs/dbraw/zinc/26/65/24/659266524.db2.gz UOCBQHPLWDWKKT-UHFFFAOYSA-N 0 0 321.376 3.035 10 30 DGEERN COc1ccccc1[C@@H](O)CNc1ccc(Cl)cc1C#N ZINC000171562862 659288377 /nfs/dbraw/zinc/28/83/77/659288377.db2.gz JMQFGHRAXCWWOW-HNNXBMFYSA-N 0 0 302.761 3.366 10 30 DGEERN COC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000171698800 659294387 /nfs/dbraw/zinc/29/43/87/659294387.db2.gz XZLYHOYSLHNXQP-VIFPVBQESA-N 0 0 307.300 3.033 10 30 DGEERN CC(C)c1csc(NC(=O)Cc2ccc(OCC#N)cc2)n1 ZINC000171830324 659300814 /nfs/dbraw/zinc/30/08/14/659300814.db2.gz FLCTYDIJWCIZCJ-UHFFFAOYSA-N 0 0 315.398 3.350 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)/C=C/c1ccccc1C#N ZINC000172960229 659367539 /nfs/dbraw/zinc/36/75/39/659367539.db2.gz BBJKOZFVVHMCEE-LPQFERQCSA-N 0 0 320.392 3.293 10 30 DGEERN CC(C)c1cccc(S(=O)(=O)OCC(F)(F)C(F)F)c1 ZINC000172964293 659368287 /nfs/dbraw/zinc/36/82/87/659368287.db2.gz YALHIIYMHKEOLS-UHFFFAOYSA-N 0 0 314.300 3.416 10 30 DGEERN C#CCSCCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000173881338 659404044 /nfs/dbraw/zinc/40/40/44/659404044.db2.gz RURAGMBHILNURT-UHFFFAOYSA-N 0 0 320.801 3.091 10 30 DGEERN C#CC[C@@H](OC(=O)c1cnc(CCC)s1)c1ccccn1 ZINC000174181699 659417380 /nfs/dbraw/zinc/41/73/80/659417380.db2.gz JRKGNZPGCKYKRY-CYBMUJFWSA-N 0 0 300.383 3.412 10 30 DGEERN C#CCOc1cccc(COC(=O)CC[C@@H]2CC[C@@H](C)O2)c1 ZINC000174217603 659420554 /nfs/dbraw/zinc/42/05/54/659420554.db2.gz PEDGJKBCHXZARE-ZBFHGGJFSA-N 0 0 302.370 3.090 10 30 DGEERN C#CCOc1ccccc1OC(=O)Cc1cc(F)ccc1F ZINC000174230339 659421227 /nfs/dbraw/zinc/42/12/27/659421227.db2.gz YRRXAJOCTAKVLE-UHFFFAOYSA-N 0 0 302.276 3.125 10 30 DGEERN C#C[C@@H](C)OC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000174415223 659432513 /nfs/dbraw/zinc/43/25/13/659432513.db2.gz VBYLFUBLSLNCGY-CYBMUJFWSA-N 0 0 315.394 3.138 10 30 DGEERN COc1ccccc1[C@@H](O)CNc1c(Cl)cccc1C#N ZINC000174681618 659494894 /nfs/dbraw/zinc/49/48/94/659494894.db2.gz IVRVPYRJMDQRPW-AWEZNQCLSA-N 0 0 302.761 3.366 10 30 DGEERN Cc1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)sc1C ZINC000174680970 659494927 /nfs/dbraw/zinc/49/49/27/659494927.db2.gz XPYHHTVIMPQAOV-LLVKDONJSA-N 0 0 316.382 3.142 10 30 DGEERN N#CCc1ccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000175190963 659916822 /nfs/dbraw/zinc/91/68/22/659916822.db2.gz NYVNPVIYNMVSBU-ZRDIBKRKSA-N 0 0 317.341 3.271 10 30 DGEERN N#Cc1cccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000175186962 659916834 /nfs/dbraw/zinc/91/68/34/659916834.db2.gz PMJLSOKBONXIIR-CMDGGOBGSA-N 0 0 303.314 3.077 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000180159880 659953431 /nfs/dbraw/zinc/95/34/31/659953431.db2.gz UXZSTWIGURANSC-ZDUSSCGKSA-N 0 0 310.415 3.380 10 30 DGEERN C#CC[C@H](OC(=O)COc1ccc(CC)cc1)c1ccccn1 ZINC000068595998 659958688 /nfs/dbraw/zinc/95/86/88/659958688.db2.gz CRNVWFUTGTWNQM-SFHVURJKSA-N 0 0 309.365 3.331 10 30 DGEERN C=C[C@H](CC)OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000181250432 659989383 /nfs/dbraw/zinc/98/93/83/659989383.db2.gz GMJDDSWVMWPXRI-SECBINFHSA-N 0 0 311.359 3.447 10 30 DGEERN CC(C)Cn1ccnc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000181809664 660020916 /nfs/dbraw/zinc/02/09/16/660020916.db2.gz UTPKUIAAGNTQSZ-OAHLLOKOSA-N 0 0 312.417 3.292 10 30 DGEERN COc1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1F ZINC000182056623 660032345 /nfs/dbraw/zinc/03/23/45/660032345.db2.gz XNXODAPTGGIWHH-NSHDSACASA-N 0 0 314.316 3.377 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1cnc2ccc(C)cn12 ZINC000182289030 660041235 /nfs/dbraw/zinc/04/12/35/660041235.db2.gz CRDFYSYXCQUEFL-GQCTYLIASA-N 0 0 308.337 3.253 10 30 DGEERN CSc1cc(C(=O)OCC2(C#N)CCOCC2)ccc1F ZINC000183912540 660147550 /nfs/dbraw/zinc/14/75/50/660147550.db2.gz WXVBDAHFDRYWNH-UHFFFAOYSA-N 0 0 309.362 3.025 10 30 DGEERN COc1ccccc1[C@H](C)CC(=O)OCC1(C#N)CCOCC1 ZINC000183970831 660150753 /nfs/dbraw/zinc/15/07/53/660150753.db2.gz BTTLKMOHFMUBPI-CQSZACIVSA-N 0 0 317.385 3.052 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cn(C(C)(C)C)nc1C ZINC000187497651 661716587 /nfs/dbraw/zinc/71/65/87/661716587.db2.gz FLIMYMCYBBTQMH-QGZVFWFLSA-N 0 0 308.422 3.332 10 30 DGEERN C#CCN(Cc1nc(CCc2ccccc2)no1)C1CCCC1 ZINC000155856331 661853827 /nfs/dbraw/zinc/85/38/27/661853827.db2.gz PTIMCRKHFGGAMG-UHFFFAOYSA-N 0 0 309.413 3.233 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cccc(C[S@@](C)=O)c1)C1CC1 ZINC000159529541 661889879 /nfs/dbraw/zinc/88/98/79/661889879.db2.gz YOVPWHTZGRXVEL-IERDGZPVSA-N 0 0 306.427 3.467 10 30 DGEERN C#Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(CC)cc2)c1 ZINC000048799524 661895705 /nfs/dbraw/zinc/89/57/05/661895705.db2.gz OFLYAVHIESBUOI-CQSZACIVSA-N 0 0 320.392 3.046 10 30 DGEERN CCCCCCCCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159965825 661898416 /nfs/dbraw/zinc/89/84/16/661898416.db2.gz NZEFAULDHIVNFE-UHFFFAOYSA-N 0 0 317.495 3.163 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)C[C@H]1OCCc2ccccc21 ZINC000187566611 661898824 /nfs/dbraw/zinc/89/88/24/661898824.db2.gz IZNYHRCDQPFXDE-MJGOQNOKSA-N 0 0 318.413 3.463 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000187885334 661906783 /nfs/dbraw/zinc/90/67/83/661906783.db2.gz LLPSBBQXVZDTOC-CQSZACIVSA-N 0 0 303.358 3.491 10 30 DGEERN C#CCOc1ccccc1NC(=O)NC[C@@](C)(O)CCC(C)C ZINC000188131633 661916744 /nfs/dbraw/zinc/91/67/44/661916744.db2.gz NMNNFILDHQNCPW-SFHVURJKSA-N 0 0 318.417 3.007 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000075399751 661928533 /nfs/dbraw/zinc/92/85/33/661928533.db2.gz WVUUJIUEYFGFPK-ZDUSSCGKSA-N 0 0 307.315 3.294 10 30 DGEERN C=CC[C@@H](OC(=O)COc1c(C)nn(C)c1C)c1ccccc1 ZINC000189202815 661968341 /nfs/dbraw/zinc/96/83/41/661968341.db2.gz MIRQVXSFSPCCOU-MRXNPFEDSA-N 0 0 314.385 3.276 10 30 DGEERN N#C[C@H](OC(=O)Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000190781039 662044120 /nfs/dbraw/zinc/04/41/20/662044120.db2.gz VSSVSOWXCDCHEY-ZDUSSCGKSA-N 0 0 313.275 3.016 10 30 DGEERN N#Cc1ccc2ncc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000078007436 662049278 /nfs/dbraw/zinc/04/92/78/662049278.db2.gz QFIPOIRTMRRYII-VOTSOKGWSA-N 0 0 318.292 3.010 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(NC(C)=O)cc1 ZINC000191095097 662053816 /nfs/dbraw/zinc/05/38/16/662053816.db2.gz NBVPBLWBPXDFJV-KRWDZBQOSA-N 0 0 305.374 3.031 10 30 DGEERN C=CC[C@@]1(C(=O)N[C@@H](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000191132195 662054894 /nfs/dbraw/zinc/05/48/94/662054894.db2.gz UUEPQWVXAMXBCS-UGSOOPFHSA-N 0 0 322.449 3.247 10 30 DGEERN CCN(C)c1ccc(/C=C/C(=O)c2cc(O)ccc2OC)cn1 ZINC000191336721 662060254 /nfs/dbraw/zinc/06/02/54/662060254.db2.gz BWADIZPWHHCEDU-VMPITWQZSA-N 0 0 312.369 3.148 10 30 DGEERN O=C1c2cc3c(cc2OC/C1=C\c1cccc(F)c1F)OCO3 ZINC000078561428 662075515 /nfs/dbraw/zinc/07/55/15/662075515.db2.gz OAPFMUNANDMSSD-ONNFQVAWSA-N 0 0 316.259 3.352 10 30 DGEERN C=CC[C@@]1(C(=O)OCC(F)F)CCCN1C(=O)OC(C)(C)C ZINC000192183045 662090754 /nfs/dbraw/zinc/09/07/54/662090754.db2.gz FWAGVJJDQBZQTA-HNNXBMFYSA-N 0 0 319.348 3.141 10 30 DGEERN C[C@@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C(C)(C)C#N ZINC000192266090 662093667 /nfs/dbraw/zinc/09/36/67/662093667.db2.gz WKGKNZQSDNAAMN-MRVPVSSYSA-N 0 0 317.254 3.072 10 30 DGEERN C=CCC1(C(=O)O[C@@H]2C[C@H](OCC)C23CCOCC3)CCC1 ZINC000192299501 662094631 /nfs/dbraw/zinc/09/46/31/662094631.db2.gz VWERPEOGRQIJBW-LSDHHAIUSA-N 0 0 308.418 3.250 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1csc(C)n1)c1ccccn1 ZINC000079151163 662100445 /nfs/dbraw/zinc/10/04/45/662100445.db2.gz FZCDLNCLLHASIN-MRXNPFEDSA-N 0 0 314.410 3.477 10 30 DGEERN C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000079178430 662102357 /nfs/dbraw/zinc/10/23/57/662102357.db2.gz IJJUCTSAXYLEFK-HOCLYGCPSA-N 0 0 317.385 3.076 10 30 DGEERN C#CC[C@H](OC(=O)c1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000079210066 662103873 /nfs/dbraw/zinc/10/38/73/662103873.db2.gz BEHQGTLRWMNUOZ-HNNXBMFYSA-N 0 0 316.307 3.109 10 30 DGEERN C#CC[C@H](OC(=O)CCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000079209939 662104023 /nfs/dbraw/zinc/10/40/23/662104023.db2.gz JLMQKEFCIFSVOQ-SFHVURJKSA-N 0 0 308.381 3.150 10 30 DGEERN CCCCCNC(=O)[C@H](C#N)C(=O)CSc1ccccc1C ZINC000193370018 662131805 /nfs/dbraw/zinc/13/18/05/662131805.db2.gz UYPZJFUHMHSPFT-CQSZACIVSA-N 0 0 318.442 3.102 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000080382182 662138786 /nfs/dbraw/zinc/13/87/86/662138786.db2.gz ABRAFMHWWGNQLQ-CQSZACIVSA-N 0 0 311.341 3.319 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000080387414 662139187 /nfs/dbraw/zinc/13/91/87/662139187.db2.gz AKINJMNELNHZDU-LBPRGKRZSA-N 0 0 301.264 3.176 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1cc(Br)ccc1F ZINC000080390008 662139469 /nfs/dbraw/zinc/13/94/69/662139469.db2.gz XFFILZQXIDWEDE-NSHDSACASA-N 0 0 300.127 3.293 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1ccc(F)c(Br)c1 ZINC000080390607 662139500 /nfs/dbraw/zinc/13/95/00/662139500.db2.gz KFOJFIODABHVFV-LLVKDONJSA-N 0 0 300.127 3.293 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000080388394 662139557 /nfs/dbraw/zinc/13/95/57/662139557.db2.gz RYDBRPVHQGFDHT-UHFFFAOYSA-N 0 0 322.405 3.343 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1ccc(F)c(Br)c1 ZINC000080390612 662139694 /nfs/dbraw/zinc/13/96/94/662139694.db2.gz KFOJFIODABHVFV-NSHDSACASA-N 0 0 300.127 3.293 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000080405245 662140252 /nfs/dbraw/zinc/14/02/52/662140252.db2.gz PSLHOEMABLENCN-HIFRSBDPSA-N 0 0 317.385 3.244 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000080979797 662157448 /nfs/dbraw/zinc/15/74/48/662157448.db2.gz QJXZSGFVUOTOOV-UHFFFAOYSA-N 0 0 319.320 3.303 10 30 DGEERN C=C(C)COC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000194168656 662158935 /nfs/dbraw/zinc/15/89/35/662158935.db2.gz RTDWYODHCFMDQB-INIZCTEOSA-N 0 0 303.402 3.259 10 30 DGEERN C=CCc1ccc(OC(=O)CCc2cscn2)c(OC)c1 ZINC000195228360 662180708 /nfs/dbraw/zinc/18/07/08/662180708.db2.gz FTTIICIEHOVXRL-UHFFFAOYSA-N 0 0 303.383 3.418 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)N1CCc2ccccc21 ZINC000195394488 662188133 /nfs/dbraw/zinc/18/81/33/662188133.db2.gz KTOXSKGBJSYTJT-GFCCVEGCSA-N 0 0 312.335 3.015 10 30 DGEERN C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000083939671 662197709 /nfs/dbraw/zinc/19/77/09/662197709.db2.gz SXYFJXIVIDRHMA-SNVBAGLBSA-N 0 0 315.350 3.309 10 30 DGEERN CCN(Cc1ccc(SC(=O)N(C)C)cc1)C[C@@H](C)C#N ZINC000084071982 662199144 /nfs/dbraw/zinc/19/91/44/662199144.db2.gz RAYQQFROEQNUKC-ZDUSSCGKSA-N 0 0 305.447 3.442 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000088818318 662235726 /nfs/dbraw/zinc/23/57/26/662235726.db2.gz QZHTURPQUQIJOK-HNNXBMFYSA-N 0 0 315.319 3.433 10 30 DGEERN COCc1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)o1 ZINC000089294229 662240885 /nfs/dbraw/zinc/24/08/85/662240885.db2.gz SLIMTOJLAUQOKM-LLVKDONJSA-N 0 0 305.355 3.027 10 30 DGEERN CC(C)CCO[C@H](C)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000089297334 662241090 /nfs/dbraw/zinc/24/10/90/662241090.db2.gz GIWAIJPLEQRMJA-ZIAGYGMSSA-N 0 0 309.431 3.425 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCN1c2ccccc2CCC1=O ZINC000089311528 662241324 /nfs/dbraw/zinc/24/13/24/662241324.db2.gz ZSPIBVHRWLOWTC-CQSZACIVSA-N 0 0 301.386 3.254 10 30 DGEERN Cc1cccc(OCC(=O)OC[C@H](C#N)Cc2cccs2)c1 ZINC000089301442 662241331 /nfs/dbraw/zinc/24/13/31/662241331.db2.gz ZDGXDABOPBZXDS-AWEZNQCLSA-N 0 0 315.394 3.361 10 30 DGEERN C=CCC[C@@H](C)OC(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000089312224 662241700 /nfs/dbraw/zinc/24/17/00/662241700.db2.gz YYXULIQLQXOKCO-LLVKDONJSA-N 0 0 310.419 3.178 10 30 DGEERN CC[C@@H]1CCCCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000089813678 662248496 /nfs/dbraw/zinc/24/84/96/662248496.db2.gz BNRHJBTVGIKPSP-MRXNPFEDSA-N 0 0 300.402 3.313 10 30 DGEERN CC[C@H]1CCCCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000089813679 662248551 /nfs/dbraw/zinc/24/85/51/662248551.db2.gz BNRHJBTVGIKPSP-INIZCTEOSA-N 0 0 300.402 3.313 10 30 DGEERN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000246519716 662263446 /nfs/dbraw/zinc/26/34/46/662263446.db2.gz HQZWIWOBFPEJTR-ZACQAIPSSA-N 0 0 316.445 3.361 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)c1cccc(OC)c1F ZINC000090443253 662263753 /nfs/dbraw/zinc/26/37/53/662263753.db2.gz SDNYMVCGLPDNKM-UHFFFAOYSA-N 0 0 315.300 3.324 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1ccc(C(=O)OCC)o1 ZINC000092136232 662328190 /nfs/dbraw/zinc/32/81/90/662328190.db2.gz RHOHWSCLJMDGPW-UHFFFAOYSA-N 0 0 317.316 3.220 10 30 DGEERN C#CC[C@H](OC(=O)/C=C/c1ccnc(Cl)c1)c1ccccn1 ZINC000092699126 662333788 /nfs/dbraw/zinc/33/37/88/662333788.db2.gz AZEFXAWQPKUUPE-KIUWMYQTSA-N 0 0 312.756 3.451 10 30 DGEERN CC(=CC(C)(C)C)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000588507597 1176510472 /nfs/dbraw/zinc/51/04/72/1176510472.db2.gz QVOSSMZSJIJGTL-UKVQZPPCSA-N 0 0 300.406 3.173 10 30 DGEERN COc1cccc(CC(=O)N[C@H]2CCOC3(CCCC3)C2)n1 ZINC000328764750 1176650565 /nfs/dbraw/zinc/65/05/65/1176650565.db2.gz OVRKGXCDMJFEDN-AWEZNQCLSA-N 0 0 304.390 3.081 10 30 DGEERN C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CCS1 ZINC000231848506 1176812795 /nfs/dbraw/zinc/81/27/95/1176812795.db2.gz WPIJKKPOZZDLOH-MRVPVSSYSA-N 0 0 315.211 3.402 10 30 DGEERN C#CCSCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000384076094 1177081115 /nfs/dbraw/zinc/08/11/15/1177081115.db2.gz RVBZBPJAVUSJMI-UHFFFAOYSA-N 0 0 315.192 3.136 10 30 DGEERN N#Cc1cc(Br)cnc1NCCc1ccccc1 ZINC000074370340 1196258915 /nfs/dbraw/zinc/25/89/15/1196258915.db2.gz YBHRIKYEADLJJZ-UHFFFAOYSA-N 0 0 302.175 3.370 10 30 DGEERN CN1c2ccc(C(=O)Nc3ccccc3C#N)cc2C(C)(C)C1=O ZINC000074954297 1196331219 /nfs/dbraw/zinc/33/12/19/1196331219.db2.gz SWDXTBNSEMYIBG-UHFFFAOYSA-N 0 0 319.364 3.065 10 30 DGEERN C#CC[C@H](C)OC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000083784767 1197441649 /nfs/dbraw/zinc/44/16/49/1197441649.db2.gz PTPAKSPHSCMLGA-ZDUSSCGKSA-N 0 0 317.385 3.280 10 30 DGEERN C(#Cc1ccccc1)CNCc1ccn(Cc2ccccc2)n1 ZINC000389938520 1197711431 /nfs/dbraw/zinc/71/14/31/1197711431.db2.gz LEZOUEXJDJDFMT-UHFFFAOYSA-N 0 0 301.393 3.073 10 30 DGEERN C[C@@H]1CN(c2cc(Br)ccc2C#N)CC(C)(C)O1 ZINC000123225709 1199376894 /nfs/dbraw/zinc/37/68/94/1199376894.db2.gz KTYQTAPQTJSEEY-SNVBAGLBSA-N 0 0 309.207 3.324 10 30 DGEERN N#Cc1cccc2c1CN(Cc1ncccc1Br)C2 ZINC000405049937 1199591149 /nfs/dbraw/zinc/59/11/49/1199591149.db2.gz IZOLBEUKQATSQH-UHFFFAOYSA-N 0 0 314.186 3.232 10 30 DGEERN N#Cc1ccc(Br)cc1Oc1ccc([N+](=O)[O-])nc1 ZINC000308062859 1199702220 /nfs/dbraw/zinc/70/22/20/1199702220.db2.gz GRLHMGJOFANXIG-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN N#Cc1cc(Br)cnc1NCc1ccc(O)cc1 ZINC000310880241 1199731896 /nfs/dbraw/zinc/73/18/96/1199731896.db2.gz HZRJWLFSJSOPMT-UHFFFAOYSA-N 0 0 304.147 3.033 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1cc(Br)ccc1O ZINC000311042455 1199734492 /nfs/dbraw/zinc/73/44/92/1199734492.db2.gz GTMZVXPJCGPQOB-UHFFFAOYSA-N 0 0 312.207 3.487 10 30 DGEERN C[C@@H](Cn1ccnc1)Nc1cc(Br)ccc1C#N ZINC000123166447 1200275844 /nfs/dbraw/zinc/27/58/44/1200275844.db2.gz CGCHMZQDVJXASZ-JTQLQIEISA-N 0 0 305.179 3.018 10 30 DGEERN CCOC1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123134875 1200275881 /nfs/dbraw/zinc/27/58/81/1200275881.db2.gz BSWQAVDVBICJDM-UHFFFAOYSA-N 0 0 309.207 3.326 10 30 DGEERN CC[C@H]1CO[C@H](C)CN1c1cc(Br)ccc1C#N ZINC000123142783 1200276002 /nfs/dbraw/zinc/27/60/02/1200276002.db2.gz JYXWQDWKZNPLQV-MFKMUULPSA-N 0 0 309.207 3.324 10 30 DGEERN C=CCOc1cccc(CNc2ccc(N(C)CCO)cc2)c1 ZINC000123319488 1200277439 /nfs/dbraw/zinc/27/74/39/1200277439.db2.gz DCYKCNGHNUFDEL-UHFFFAOYSA-N 0 0 312.413 3.292 10 30 DGEERN N#Cc1ccc(Br)cc1NCCOCC(F)(F)F ZINC000123281322 1200278310 /nfs/dbraw/zinc/27/83/10/1200278310.db2.gz KQVHHXYQMSIIQP-UHFFFAOYSA-N 0 0 323.112 3.312 10 30 DGEERN C=CCOc1ccc(CNc2ccnn2CC2CC2)cc1OC ZINC000123881589 1200300333 /nfs/dbraw/zinc/30/03/33/1200300333.db2.gz VDGXYUXAIBFGJR-UHFFFAOYSA-N 0 0 313.401 3.479 10 30 DGEERN C=C(Br)CN[C@H](C)c1ccc(OC)cc1OC ZINC000125130223 1200363488 /nfs/dbraw/zinc/36/34/88/1200363488.db2.gz QMQAVELZOMBBKX-SNVBAGLBSA-N 0 0 300.196 3.263 10 30 DGEERN CCCCCCCCNS(=O)(=O)c1ccc(N)cc1F ZINC000159116112 1202604389 /nfs/dbraw/zinc/60/43/89/1202604389.db2.gz LZVNQERSKDNNSW-UHFFFAOYSA-N 0 0 302.415 3.047 10 30 DGEERN C#CCN(CC1CC1)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000154631097 1202597686 /nfs/dbraw/zinc/59/76/86/1202597686.db2.gz YAIMXHIEWLAOMD-CYBMUJFWSA-N 0 0 316.449 3.062 10 30 DGEERN C#CCN(CC1CC1)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000154631211 1202597775 /nfs/dbraw/zinc/59/77/75/1202597775.db2.gz YAIMXHIEWLAOMD-ZDUSSCGKSA-N 0 0 316.449 3.062 10 30 DGEERN CC(C)[C@@H](CCO)Nc1ccc(C#N)c(Br)c1F ZINC000231084747 1202598961 /nfs/dbraw/zinc/59/89/61/1202598961.db2.gz FAXDBLGHNXHYCC-SNVBAGLBSA-N 0 0 315.186 3.279 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1cccc(Cl)c1N ZINC000155904697 1202599378 /nfs/dbraw/zinc/59/93/78/1202599378.db2.gz ZTXWAKAXOVENDG-UHFFFAOYSA-N 0 0 303.749 3.071 10 30 DGEERN N#Cc1ccc(N2CCCSCC2)c(F)c1Br ZINC000231844564 1202600307 /nfs/dbraw/zinc/60/03/07/1202600307.db2.gz AXNSMCCTEYQICM-UHFFFAOYSA-N 0 0 315.211 3.403 10 30 DGEERN C#CCCCCC(=O)Nc1nc(CCCC)[nH]c1C(=O)OCC ZINC000191963807 1203287677 /nfs/dbraw/zinc/28/76/77/1203287677.db2.gz PFDJUQRAKGIPER-UHFFFAOYSA-N 0 0 319.405 3.061 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000255355462 1203842814 /nfs/dbraw/zinc/84/28/14/1203842814.db2.gz QHVDJEWAYUPSTE-CPEPPOAQSA-N 0 0 318.376 3.218 10 30 DGEERN C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccccc1OCC#N ZINC000175086795 1203917284 /nfs/dbraw/zinc/91/72/84/1203917284.db2.gz JSEVBSIVJCZFHE-ZDUSSCGKSA-N 0 0 314.410 3.354 10 30 DGEERN N#CCSc1cccc(C(=O)NCc2ccc(Cl)nc2)c1 ZINC000175648363 1203921036 /nfs/dbraw/zinc/92/10/36/1203921036.db2.gz FIXJKAAPTCCYET-UHFFFAOYSA-N 0 0 317.801 3.281 10 30 DGEERN C=C(Br)CNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000176009391 1203922772 /nfs/dbraw/zinc/92/27/72/1203922772.db2.gz UXIOPWGRQYGVMN-SNVBAGLBSA-N 0 0 317.252 3.229 10 30 DGEERN C[C@@H](O)[C@H](C)Sc1ccc(C#N)c(Br)c1F ZINC000300339221 1204314202 /nfs/dbraw/zinc/31/42/02/1204314202.db2.gz LWLYWQJEBFDCQV-RQJHMYQMSA-N 0 0 304.184 3.321 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000179857308 1204323344 /nfs/dbraw/zinc/32/33/44/1204323344.db2.gz SZYWIZXWLFHGBD-KOZAUXTDSA-N 0 0 312.369 3.130 10 30 DGEERN CCOc1cc(/C=C\C(=O)c2cc(O)ccc2OC)ccc1O ZINC000588409648 1082167106 /nfs/dbraw/zinc/16/71/06/1082167106.db2.gz CQVVEKDVPYTVOG-DAXSKMNVSA-N 0 0 314.337 3.401 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccn(-c2ccccc2)n1 ZINC000588410327 1082169901 /nfs/dbraw/zinc/16/99/01/1082169901.db2.gz CZUBCTKYXAQBGT-CLFYSBASSA-N 0 0 320.348 3.483 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1cnc2c(C)cccn12 ZINC000588410404 1082169970 /nfs/dbraw/zinc/16/99/70/1082169970.db2.gz URZPWAYRCYCWQI-ALCCZGGFSA-N 0 0 308.337 3.253 10 30 DGEERN C=CC1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588438557 1082284336 /nfs/dbraw/zinc/28/43/36/1082284336.db2.gz KFWQSSVSQLXUCQ-SEYXRHQNSA-N 0 0 300.358 3.423 10 30 DGEERN CON=Cc1ccc(C(=O)OCCSC(F)(F)F)cc1 ZINC000588492453 1082473302 /nfs/dbraw/zinc/47/33/02/1082473302.db2.gz RUNUPKNGLGNDOJ-UHFFFAOYSA-N 0 0 307.293 3.077 10 30 DGEERN Cc1cc(CCNC(=O)/C=C\c2ccccc2C#N)cc(C)c1O ZINC000588562016 1082637647 /nfs/dbraw/zinc/63/76/47/1082637647.db2.gz UOOQBKFXFLIYGP-FPLPWBNLSA-N 0 0 320.392 3.253 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1nccn1-c1ccccc1 ZINC000588580616 1082744078 /nfs/dbraw/zinc/74/40/78/1082744078.db2.gz YVKAUXFCXJZTJL-NTMALXAHSA-N 0 0 320.348 3.483 10 30 DGEERN CON=Cc1ccc(C(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000588583693 1082764532 /nfs/dbraw/zinc/76/45/32/1082764532.db2.gz JACGKIJWSDSRJM-UHFFFAOYSA-N 0 0 308.381 3.474 10 30 DGEERN C#CCN(C(=O)CCOc1cccc(Br)c1)C(C)C ZINC000708495024 1082826417 /nfs/dbraw/zinc/82/64/17/1082826417.db2.gz BSZZMMNZKZMBHC-UHFFFAOYSA-N 0 0 324.218 3.088 10 30 DGEERN Fc1ccc(-n2ccc(CON=C3CCCOCC3)n2)cc1 ZINC000588398265 1083159238 /nfs/dbraw/zinc/15/92/38/1083159238.db2.gz VUSKDLFPSMSSBB-UHFFFAOYSA-N 0 0 303.337 3.085 10 30 DGEERN COc1cccc(C#CCOC(=O)c2cccc(F)c2F)c1 ZINC000176595658 1088134525 /nfs/dbraw/zinc/13/45/25/1088134525.db2.gz KSJFPFVIHRHGLC-UHFFFAOYSA-N 0 0 302.276 3.182 10 30 DGEERN COc1cccc(C#CCOC(=O)C2(c3ccccc3)CC2)c1 ZINC000176608037 1088190661 /nfs/dbraw/zinc/19/06/61/1088190661.db2.gz ICKJMRKWWSUIHP-UHFFFAOYSA-N 0 0 306.361 3.322 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000179887640 1093819928 /nfs/dbraw/zinc/81/99/28/1093819928.db2.gz HPTYHYWPAMQBQW-IUODEOHRSA-N 0 0 315.369 3.491 10 30 DGEERN Cc1cc(C(=O)NCC2(CC#N)CC2)sc1Br ZINC000404779702 1094268441 /nfs/dbraw/zinc/26/84/41/1094268441.db2.gz QCWIHWZDCLOABQ-UHFFFAOYSA-N 0 0 313.220 3.243 10 30 DGEERN Cc1ncsc1CNc1ncc(Br)cc1C#N ZINC000310096847 1094866312 /nfs/dbraw/zinc/86/63/12/1094866312.db2.gz VRDRRGIPZLESSG-UHFFFAOYSA-N 0 0 309.192 3.093 10 30 DGEERN COc1cc(/C=C\C(=O)c2cccc(C#N)c2)cc2c1OCCO2 ZINC000206973138 1095141794 /nfs/dbraw/zinc/14/17/94/1095141794.db2.gz ATZRHCNKEABZQL-WAYWQWQTSA-N 0 0 321.332 3.234 10 30 DGEERN C=CCC[C@@H](CO)Nc1ccc(C#N)c(Br)c1F ZINC000320328357 1095624861 /nfs/dbraw/zinc/62/48/61/1095624861.db2.gz YAKBCPNQPAOEMG-JTQLQIEISA-N 0 0 313.170 3.199 10 30 DGEERN CC1(C)CO[C@H](CCNc2ncc(Br)cc2C#N)C1 ZINC000717360335 1104259487 /nfs/dbraw/zinc/25/94/87/1104259487.db2.gz XOLDFMLSSJQMEC-GFCCVEGCSA-N 0 0 324.222 3.333 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278273935 214060178 /nfs/dbraw/zinc/06/01/78/214060178.db2.gz AIXGEQFSAPFTHJ-UONOGXRCSA-N 0 0 306.381 3.193 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccc(C)cc1OCC1CC1 ZINC000278336890 214098660 /nfs/dbraw/zinc/09/86/60/214098660.db2.gz JWCPCPOKQCCKMF-UHFFFAOYSA-N 0 0 309.409 3.063 10 30 DGEERN C=CC[C@H]1N(C(=O)c2ccc3nnn(C)c3c2)CCCC1(C)C ZINC000278460072 214167704 /nfs/dbraw/zinc/16/77/04/214167704.db2.gz SRQKAIBRNIKVBD-MRXNPFEDSA-N 0 0 312.417 3.175 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000278566245 214241826 /nfs/dbraw/zinc/24/18/26/214241826.db2.gz APJIJWYJEZYCFQ-UHFFFAOYSA-N 0 0 305.299 3.257 10 30 DGEERN COc1cc(/C=C2/C(=O)CCc3c(OC)cccc32)ccc1O ZINC000103073256 432003220 /nfs/dbraw/zinc/00/32/20/432003220.db2.gz MUBNZRIAACTQMQ-XNTDXEJSSA-N 0 0 310.349 3.465 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000278723506 214355891 /nfs/dbraw/zinc/35/58/91/214355891.db2.gz HNJRNZBBUVXAEA-NVXWUHKLSA-N 0 0 311.385 3.100 10 30 DGEERN N#Cc1ccc2c(c1)N(C(=O)c1ccc3c(n1)CCCC3)CC2 ZINC000328770770 231336821 /nfs/dbraw/zinc/33/68/21/231336821.db2.gz AGEAQONMTOYZBN-UHFFFAOYSA-N 0 0 303.365 3.035 10 30 DGEERN Cc1cnn([C@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)c1 ZINC000329744031 231615273 /nfs/dbraw/zinc/61/52/73/231615273.db2.gz QLLIOMUJSBNLJA-INIZCTEOSA-N 0 0 317.396 3.453 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000278193419 214015697 /nfs/dbraw/zinc/01/56/97/214015697.db2.gz DUSDRARYYKFARA-IAGOWNOFSA-N 0 0 300.402 3.207 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)C[C@@H]3CCCC(=O)N3)cc2o1 ZINC000329630590 529805378 /nfs/dbraw/zinc/80/53/78/529805378.db2.gz HZGDXJKKUUJRQZ-JTQLQIEISA-N 0 0 316.361 3.381 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182789511 529992980 /nfs/dbraw/zinc/99/29/80/529992980.db2.gz GDMJLVDMAPLYIM-UHFFFAOYSA-N 0 0 315.376 3.386 10 30 DGEERN CCC1(CC)CN(c2ccc(Cl)cc2C#N)CC[S@@]1=O ZINC000302231393 282379569 /nfs/dbraw/zinc/37/95/69/282379569.db2.gz XPDJRFMNMPMBFD-HXUWFJFHSA-N 0 0 310.850 3.339 10 30 DGEERN N#Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000109085163 185549970 /nfs/dbraw/zinc/54/99/70/185549970.db2.gz TXLRHCGNFFUFFA-CABCVRRESA-N 0 0 312.319 3.256 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000130023337 432012925 /nfs/dbraw/zinc/01/29/25/432012925.db2.gz HRALRAYESBFLCC-WBVHZDCISA-N 0 0 324.380 3.188 10 30 DGEERN COc1ccc(Cl)cc1NCCC(=O)NC1(C#N)CCCC1 ZINC000104525065 432016990 /nfs/dbraw/zinc/01/69/90/432016990.db2.gz LDSDZXSFVLBOCB-UHFFFAOYSA-N 0 0 321.808 3.103 10 30 DGEERN N#Cc1ccc2ncc(CN(Cc3cccs3)C3CC3)n2c1 ZINC000130245053 432018686 /nfs/dbraw/zinc/01/86/86/432018686.db2.gz KVKPUNUBSAEFAG-UHFFFAOYSA-N 0 0 308.410 3.432 10 30 DGEERN N#Cc1c(Cl)nsc1N1CC[C@@H](Nc2ccccc2)C1 ZINC000301279994 229603982 /nfs/dbraw/zinc/60/39/82/229603982.db2.gz ZSRQXIMXUDOLJV-LLVKDONJSA-N 0 0 304.806 3.359 10 30 DGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H]2c2ccco2)CCCCC1 ZINC000408229453 229622601 /nfs/dbraw/zinc/62/26/01/229622601.db2.gz RXBZHBBDBMYRRN-CQSZACIVSA-N 0 0 322.430 3.220 10 30 DGEERN COc1ccccc1N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000142752585 186032439 /nfs/dbraw/zinc/03/24/39/186032439.db2.gz DLNUIIDNDZLSDG-UHFFFAOYSA-N 0 0 308.385 3.043 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191850306 186263615 /nfs/dbraw/zinc/26/36/15/186263615.db2.gz PBPJLBOUTJOLAF-ZYHUDNBSSA-N 0 0 323.776 3.331 10 30 DGEERN N#CCc1ccc(NC(=O)c2ccc(-c3ncon3)cc2)cc1 ZINC000107093305 432027395 /nfs/dbraw/zinc/02/73/95/432027395.db2.gz STAHHJCWEUWXDE-UHFFFAOYSA-N 0 0 304.309 3.055 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000172346953 198083990 /nfs/dbraw/zinc/08/39/90/198083990.db2.gz BWNJKCDDNVCMFB-UHFFFAOYSA-N 0 0 322.408 3.302 10 30 DGEERN N#CC(=NNc1cc(Cl)c(Cl)cc1Cl)C(N)=S ZINC000000511209 180810222 /nfs/dbraw/zinc/81/02/22/180810222.db2.gz YLKYXSKYADULMG-LZYBPNLTSA-N 0 0 307.593 3.224 10 30 DGEERN C=CCCCN(C)C(=O)c1cnc(OCc2ccccc2)cn1 ZINC000277050721 213263625 /nfs/dbraw/zinc/26/36/25/213263625.db2.gz QJJGRMVXMCUFHR-UHFFFAOYSA-N 0 0 311.385 3.094 10 30 DGEERN N#CC1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179605590 283050413 /nfs/dbraw/zinc/05/04/13/283050413.db2.gz RFQQATZHULGVAP-HNNXBMFYSA-N 0 0 303.793 3.069 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000187247590 283136954 /nfs/dbraw/zinc/13/69/54/283136954.db2.gz LRVCFODDQZVUTE-QGZVFWFLSA-N 0 0 318.376 3.230 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276955314 213201100 /nfs/dbraw/zinc/20/11/00/213201100.db2.gz XVMKHNYWUXKYQN-JTQLQIEISA-N 0 0 320.345 3.231 10 30 DGEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)C1CCOCC1 ZINC000179360966 432055616 /nfs/dbraw/zinc/05/56/16/432055616.db2.gz GICZZEQLBNGMBX-SNVBAGLBSA-N 0 0 304.415 3.110 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177788020 198777017 /nfs/dbraw/zinc/77/70/17/198777017.db2.gz HQJLUGHCZWLHDT-IUODEOHRSA-N 0 0 306.362 3.143 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)NCc1ccc(Cl)cn1 ZINC000179671410 432066766 /nfs/dbraw/zinc/06/67/66/432066766.db2.gz IDOLNADSLWWQEA-UHFFFAOYSA-N 0 0 304.712 3.067 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ncccc1Cl ZINC000179668507 432066796 /nfs/dbraw/zinc/06/67/96/432066796.db2.gz OLKJDHDXSUFLSV-JTQLQIEISA-N 0 0 301.733 3.013 10 30 DGEERN C[C@H]1CCCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168701585 432069739 /nfs/dbraw/zinc/06/97/39/432069739.db2.gz QJIYHYRRUOEQGZ-NSHDSACASA-N 0 0 312.822 3.165 10 30 DGEERN C[C@@H]1CC(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000180281663 432082411 /nfs/dbraw/zinc/08/24/11/432082411.db2.gz PROVMTUPNWQYNT-KBPBESRZSA-N 0 0 300.402 3.126 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000170827340 432083112 /nfs/dbraw/zinc/08/31/12/432083112.db2.gz LPVFEZBLEFPHQX-CZUORRHYSA-N 0 0 313.401 3.031 10 30 DGEERN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000187125717 200065551 /nfs/dbraw/zinc/06/55/51/200065551.db2.gz IFJUZWLKGKBDOE-KRWDZBQOSA-N 0 0 314.820 3.381 10 30 DGEERN CCOC(=O)[C@H](CNc1nc(C)ccc1C#N)Cc1ccccc1 ZINC000180432615 432086294 /nfs/dbraw/zinc/08/62/94/432086294.db2.gz AEBYHIOJMYWGSV-KRWDZBQOSA-N 0 0 323.396 3.096 10 30 DGEERN C=C(C)CN(C)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000180431392 432086333 /nfs/dbraw/zinc/08/63/33/432086333.db2.gz HUWOKPIGVVNMET-UHFFFAOYSA-N 0 0 304.777 3.302 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)CCCCC(=O)OC ZINC000188886609 200316524 /nfs/dbraw/zinc/31/65/24/200316524.db2.gz AZZTUTDCGYFZPK-UHFFFAOYSA-N 0 0 317.389 3.052 10 30 DGEERN C=CCC(CC=C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246088773 432093806 /nfs/dbraw/zinc/09/38/06/432093806.db2.gz JEGFOELEVIFWGT-OAGGEKHMSA-N 0 0 305.418 3.088 10 30 DGEERN C[C@H]1Sc2ccccc2N(C(=O)c2cc(C#N)cn2C)[C@@H]1C ZINC000177555849 291263597 /nfs/dbraw/zinc/26/35/97/291263597.db2.gz XGQHVPZNRHBJKE-VXGBXAGGSA-N 0 0 311.410 3.426 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193310279 201026768 /nfs/dbraw/zinc/02/67/68/201026768.db2.gz WARCBDZCXQTVIW-GDBMZVCRSA-N 0 0 305.381 3.280 10 30 DGEERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193367843 201038763 /nfs/dbraw/zinc/03/87/63/201038763.db2.gz GRLKHJKEDLLBGP-SJKOYZFVSA-N 0 0 309.344 3.316 10 30 DGEERN Cc1nc(CC(C)C)c(NC(=O)c2ccnc(C#N)c2)s1 ZINC000193543230 201072516 /nfs/dbraw/zinc/07/25/16/201072516.db2.gz BNAMKRIYCRUCRW-UHFFFAOYSA-N 0 0 300.387 3.169 10 30 DGEERN CCO[C@@H](CNC(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC000194164122 201188728 /nfs/dbraw/zinc/18/87/28/201188728.db2.gz ZERCGKCKGVCEIE-SFHVURJKSA-N 0 0 308.381 3.374 10 30 DGEERN C[C@H]1CCCC[C@H]1OCCNC(=O)NCC1CCC(C#N)CC1 ZINC000441006994 239001372 /nfs/dbraw/zinc/00/13/72/239001372.db2.gz GQAZZEDVZZFSRD-ZGRYLRDCSA-N 0 0 321.465 3.211 10 30 DGEERN C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442181210 239087384 /nfs/dbraw/zinc/08/73/84/239087384.db2.gz KYZSBSUOPKGSSU-WCBMZHEXSA-N 0 0 313.279 3.234 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccn1 ZINC000195041100 201330113 /nfs/dbraw/zinc/33/01/13/201330113.db2.gz BAKOZAGRVJINEF-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000069177898 283726685 /nfs/dbraw/zinc/72/66/85/283726685.db2.gz GLMNPJONQQTBAX-CYBMUJFWSA-N 0 0 305.337 3.144 10 30 DGEERN C[C@H](CCNc1ncc(C#N)cc1Cl)NC(=O)OC(C)(C)C ZINC000171069488 432100763 /nfs/dbraw/zinc/10/07/63/432100763.db2.gz LUQGGMXDXZMJFK-SNVBAGLBSA-N 0 0 324.812 3.322 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000271827824 209249179 /nfs/dbraw/zinc/24/91/79/209249179.db2.gz RGPRHLZKFRXCEO-IUODEOHRSA-N 0 0 306.362 3.143 10 30 DGEERN COC(=O)CCCN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092045426 193147246 /nfs/dbraw/zinc/14/72/46/193147246.db2.gz WVSJTKWJZQMEOA-UHFFFAOYSA-N 0 0 312.369 3.107 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000451338877 241089472 /nfs/dbraw/zinc/08/94/72/241089472.db2.gz IKGKANGAYQNDSH-ZFWWWQNUSA-N 0 0 311.360 3.102 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000451676338 241203465 /nfs/dbraw/zinc/20/34/65/241203465.db2.gz FCXIWBHIXZKZNE-HXUWFJFHSA-N 0 0 321.424 3.481 10 30 DGEERN C=CCC1(C(=O)NCc2ccnc(OC(F)F)c2)CCCC1 ZINC000451553183 241172719 /nfs/dbraw/zinc/17/27/19/241172719.db2.gz NRHBQBLSPPVSNQ-UHFFFAOYSA-N 0 0 310.344 3.436 10 30 DGEERN C[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451444621 241125416 /nfs/dbraw/zinc/12/54/16/241125416.db2.gz FBZDZSFQQDOQBL-WBMJQRKESA-N 0 0 324.421 3.086 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCCCc1nc(C)no1 ZINC000268587913 432109052 /nfs/dbraw/zinc/10/90/52/432109052.db2.gz FEXRXCXXEOHZML-UHFFFAOYSA-N 0 0 303.318 3.026 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000080976478 283907030 /nfs/dbraw/zinc/90/70/30/283907030.db2.gz FUVOGNZIVHPVBU-UHFFFAOYSA-N 0 0 307.397 3.139 10 30 DGEERN C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(C#N)cn1C ZINC000081001727 283907860 /nfs/dbraw/zinc/90/78/60/283907860.db2.gz BXYVRMDLMCEWSD-LLVKDONJSA-N 0 0 301.777 3.383 10 30 DGEERN C=C(C)CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000452715531 241492641 /nfs/dbraw/zinc/49/26/41/241492641.db2.gz DDKQQYPARYXBSC-UHFFFAOYSA-N 0 0 318.161 3.352 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000452780174 241516196 /nfs/dbraw/zinc/51/61/96/241516196.db2.gz WRBUVXAGMWXUML-UHFFFAOYSA-N 0 0 303.793 3.468 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453453452 241792578 /nfs/dbraw/zinc/79/25/78/241792578.db2.gz VLLOBMXUIJVUGK-SFHVURJKSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCOc1cccc(NC(=O)NCC2(CF)CCOCC2)c1 ZINC000454580258 241986256 /nfs/dbraw/zinc/98/62/56/241986256.db2.gz NLXWKKQZZTZUHZ-UHFFFAOYSA-N 0 0 322.380 3.139 10 30 DGEERN C=CCC1(NC(=O)Nc2cc(COC)ncn2)CCCCC1 ZINC000454980803 242079585 /nfs/dbraw/zinc/07/95/85/242079585.db2.gz MBONAGNPYQZFOO-UHFFFAOYSA-N 0 0 304.394 3.024 10 30 DGEERN C=C(C)COCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454694903 242012027 /nfs/dbraw/zinc/01/20/27/242012027.db2.gz PVDWECABBDVSTP-HNNXBMFYSA-N 0 0 304.390 3.109 10 30 DGEERN C=C(C)COCCNC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454696991 242013305 /nfs/dbraw/zinc/01/33/05/242013305.db2.gz SAHKUDIPIMXQPF-INIZCTEOSA-N 0 0 324.371 3.404 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000181087337 432112515 /nfs/dbraw/zinc/11/25/15/432112515.db2.gz NHGJJTMIPJPGLZ-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CC(=O)NC ZINC000455250353 242146373 /nfs/dbraw/zinc/14/63/73/242146373.db2.gz RLDIAQKCOHTLMB-CYBMUJFWSA-N 0 0 317.433 3.185 10 30 DGEERN C=C(C)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000455303983 242163180 /nfs/dbraw/zinc/16/31/80/242163180.db2.gz BEOFQYWKHGWGSQ-UHFFFAOYSA-N 0 0 313.401 3.077 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000455309133 242164487 /nfs/dbraw/zinc/16/44/87/242164487.db2.gz KXDBOZQXNGAQGX-INIZCTEOSA-N 0 0 302.418 3.378 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCc1nnc(C(C)C)[nH]1 ZINC000455375105 242183438 /nfs/dbraw/zinc/18/34/38/242183438.db2.gz CDLTYTVOFIEALV-UHFFFAOYSA-N 0 0 313.405 3.368 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(C)C1CCN(OC)CC1 ZINC000455390454 242187891 /nfs/dbraw/zinc/18/78/91/242187891.db2.gz XHOLWMYHGWPDEW-UHFFFAOYSA-N 0 0 317.433 3.295 10 30 DGEERN CC#CCN(C)C(=O)Nc1cccc2cc(C(=O)OC)sc21 ZINC000455727657 242272430 /nfs/dbraw/zinc/27/24/30/242272430.db2.gz GGYYEMQZSRASNU-UHFFFAOYSA-N 0 0 316.382 3.175 10 30 DGEERN C[C@](O)(CNC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000455910646 242309995 /nfs/dbraw/zinc/30/99/95/242309995.db2.gz UMRNUSHBBITAMA-SFHVURJKSA-N 0 0 315.417 3.205 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccccc3OC(F)F)n2c1 ZINC000092143297 193167804 /nfs/dbraw/zinc/16/78/04/193167804.db2.gz CBGLKIMCXVHWPH-UHFFFAOYSA-N 0 0 314.295 3.419 10 30 DGEERN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(Br)c1 ZINC000181196749 432116907 /nfs/dbraw/zinc/11/69/07/432116907.db2.gz NIYAUGZPSVTOMR-SECBINFHSA-N 0 0 318.174 3.140 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458050809 242946874 /nfs/dbraw/zinc/94/68/74/242946874.db2.gz WVYLMCBGTMEULB-NORZTCDRSA-N 0 0 309.431 3.040 10 30 DGEERN C[C@H]1CCSCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000190042573 432117336 /nfs/dbraw/zinc/11/73/36/432117336.db2.gz PKSQIWOULIFGQH-ZDUSSCGKSA-N 0 0 300.427 3.209 10 30 DGEERN C=CCC[C@H](NC(=O)NCc1nnc(CC)o1)c1ccccc1 ZINC000458574916 243093990 /nfs/dbraw/zinc/09/39/90/243093990.db2.gz MTKMISZTLDIPCO-AWEZNQCLSA-N 0 0 314.389 3.139 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000458612656 243104501 /nfs/dbraw/zinc/10/45/01/243104501.db2.gz GCQWJUXLVXUYBU-MWDXBVQZSA-N 0 0 308.466 3.456 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC(C)(OCC)C1)c1ccc(F)c(F)c1 ZINC000458688053 243129160 /nfs/dbraw/zinc/12/91/60/243129160.db2.gz YXRCUIRNTZMIDV-OAHLLOKOSA-N 0 0 324.371 3.402 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC/C=C\CC ZINC000458979619 243219024 /nfs/dbraw/zinc/21/90/24/243219024.db2.gz RALZPGJVLLNHBD-WAYWQWQTSA-N 0 0 303.362 3.259 10 30 DGEERN C=C(C)[C@H](NC(=O)N(C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000275090649 212114201 /nfs/dbraw/zinc/11/42/01/212114201.db2.gz HZHFYEYIYTWSQJ-DOMZBBRYSA-N 0 0 310.344 3.012 10 30 DGEERN N#Cc1ccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)o1 ZINC000093594218 193270823 /nfs/dbraw/zinc/27/08/23/193270823.db2.gz ISCXDTOWTMWCKQ-CQSZACIVSA-N 0 0 312.344 3.385 10 30 DGEERN COc1ccccc1CCN(C)C(=O)c1ccc(C#N)cc1C ZINC000120732318 284177469 /nfs/dbraw/zinc/17/74/69/284177469.db2.gz HIOAZQWNEXUUBI-UHFFFAOYSA-N 0 0 308.381 3.190 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483250854 244841716 /nfs/dbraw/zinc/84/17/16/244841716.db2.gz PNNIHOZKVFCIGJ-SFHVURJKSA-N 0 0 320.408 3.091 10 30 DGEERN CC#CCCNC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000483428839 244859629 /nfs/dbraw/zinc/85/96/29/244859629.db2.gz PEDCTJCCHKYZFT-UHFFFAOYSA-N 0 0 314.429 3.073 10 30 DGEERN C=CCOc1ccccc1CNc1ccc2c(c1)N(C(N)=O)CC2 ZINC000487203467 245035159 /nfs/dbraw/zinc/03/51/59/245035159.db2.gz VTIUKWSSXZBUIJ-UHFFFAOYSA-N 0 0 323.396 3.305 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000488181974 245158126 /nfs/dbraw/zinc/15/81/26/245158126.db2.gz SWBYPYVKOZTADE-HOTGVXAUSA-N 0 0 316.445 3.076 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000488181973 245158716 /nfs/dbraw/zinc/15/87/16/245158716.db2.gz SWBYPYVKOZTADE-CVEARBPZSA-N 0 0 316.445 3.076 10 30 DGEERN C=CCN(CCC#N)c1nn2cc(C3CCCC3)nc2s1 ZINC000488474994 245199238 /nfs/dbraw/zinc/19/92/38/245199238.db2.gz GMHWKXDFDZYJEN-UHFFFAOYSA-N 0 0 301.419 3.354 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1cccc(N2CC=CC2)c1 ZINC000124750068 284263922 /nfs/dbraw/zinc/26/39/22/284263922.db2.gz FNTPBBAQMWRFRO-UHFFFAOYSA-N 0 0 317.392 3.173 10 30 DGEERN COc1cc(C#N)ccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000009437945 181621209 /nfs/dbraw/zinc/62/12/09/181621209.db2.gz AKVIOLIKJOVISV-ZIAGYGMSSA-N 0 0 324.380 3.212 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ncccc1-c1ccccc1 ZINC000181435350 432128266 /nfs/dbraw/zinc/12/82/66/432128266.db2.gz VRABCMLITFYXHO-UHFFFAOYSA-N 0 0 302.337 3.211 10 30 DGEERN Cc1c(/N=C/c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C ZINC000016249090 182038528 /nfs/dbraw/zinc/03/85/28/182038528.db2.gz NMJWMIFUUPVXND-FYJGNVAPSA-N 0 0 316.364 3.107 10 30 DGEERN N#Cc1cc(F)ccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000171382813 432129616 /nfs/dbraw/zinc/12/96/16/432129616.db2.gz KRVAQXJGAHKNQA-AWEZNQCLSA-N 0 0 310.376 3.026 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000128812877 284387789 /nfs/dbraw/zinc/38/77/89/284387789.db2.gz VAEQSXDKUBXPSI-HNNXBMFYSA-N 0 0 318.298 3.462 10 30 DGEERN N/C(=N\O)c1ccc(COc2cccc(Br)c2)cc1 ZINC000019470912 182124260 /nfs/dbraw/zinc/12/42/60/182124260.db2.gz JFYCIYZBLGDOHR-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246436814 432131222 /nfs/dbraw/zinc/13/12/22/432131222.db2.gz CXSAIVOYNQLQHI-FHLIZLRMSA-N 0 0 315.392 3.157 10 30 DGEERN CCN(c1ccccc1C)S(=O)(=O)c1ccccc1C#N ZINC000019805121 182152202 /nfs/dbraw/zinc/15/22/02/182152202.db2.gz BAOFWZSQPPAPHC-UHFFFAOYSA-N 0 0 300.383 3.082 10 30 DGEERN CN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000020315010 182205877 /nfs/dbraw/zinc/20/58/77/182205877.db2.gz UMXRCRKTCZAVQC-HHNLSAEISA-N 0 0 319.360 3.294 10 30 DGEERN C#CCNC(=O)[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020420168 182216133 /nfs/dbraw/zinc/21/61/33/182216133.db2.gz BAUXKPCZUZJLKN-SSDOTTSWSA-N 0 0 305.592 3.197 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cccc(F)c1 ZINC000021977731 182301643 /nfs/dbraw/zinc/30/16/43/182301643.db2.gz RXTUTDBSZWHXQX-ZDUSSCGKSA-N 0 0 312.344 3.123 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000267463859 206087911 /nfs/dbraw/zinc/08/79/11/206087911.db2.gz WKCYBHGLRZOQFC-AWEZNQCLSA-N 0 0 319.453 3.063 10 30 DGEERN CCCCCNC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135338231 284471409 /nfs/dbraw/zinc/47/14/09/284471409.db2.gz UJUQAXSPTLFFNE-ZDUSSCGKSA-N 0 0 320.458 3.495 10 30 DGEERN CC(C)(C)OC(=O)NC[C@H](C=O)Cc1cncc2ccccc21 ZINC000098095855 193785153 /nfs/dbraw/zinc/78/51/53/193785153.db2.gz MLNXKEFPXYOCSY-CYBMUJFWSA-N 0 0 314.385 3.117 10 30 DGEERN C=CCCCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000274428053 211606430 /nfs/dbraw/zinc/60/64/30/211606430.db2.gz AIEVAVZJBDUVIV-GJZGRUSLSA-N 0 0 301.386 3.034 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2ncccc21 ZINC000032617887 182651811 /nfs/dbraw/zinc/65/18/11/182651811.db2.gz YMHSYCQMZHHSJJ-UHFFFAOYSA-N 0 0 301.349 3.379 10 30 DGEERN C=CCN(C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C)C1CC1 ZINC000274386005 211568310 /nfs/dbraw/zinc/56/83/10/211568310.db2.gz UKWPXLWNPAMMML-LBPRGKRZSA-N 0 0 304.438 3.368 10 30 DGEERN N#Cc1ccc(SCC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000181659000 432141775 /nfs/dbraw/zinc/14/17/75/432141775.db2.gz ZDFQVKDLWQJFCC-UHFFFAOYSA-N 0 0 317.801 3.015 10 30 DGEERN COc1ccc(C#N)cc1CNc1ccccc1C(=O)NC1CC1 ZINC000151888661 284587867 /nfs/dbraw/zinc/58/78/67/284587867.db2.gz XOBYFVROUYPBLJ-UHFFFAOYSA-N 0 0 321.380 3.071 10 30 DGEERN O=C(Nc1ccc(C#CCO)cc1F)c1ccccc1Cl ZINC000037548841 182906560 /nfs/dbraw/zinc/90/65/60/182906560.db2.gz YHSAQUCPDBJVDC-UHFFFAOYSA-N 0 0 303.720 3.075 10 30 DGEERN COc1ccc([C@H](C#N)NCC(F)(F)F)cc1OC(F)F ZINC000037970935 182945662 /nfs/dbraw/zinc/94/56/62/182945662.db2.gz DGFAMIULFBGYMR-QMMMGPOBSA-N 0 0 310.222 3.013 10 30 DGEERN CNC(SCc1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000040570330 183103612 /nfs/dbraw/zinc/10/36/12/183103612.db2.gz JRWZVCYVNGFQIJ-UHFFFAOYSA-N 0 0 303.427 3.309 10 30 DGEERN C=CCNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040599021 183108247 /nfs/dbraw/zinc/10/82/47/183108247.db2.gz SHVWUDRVBUKMRJ-UHFFFAOYSA-N 0 0 319.752 3.248 10 30 DGEERN COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1C ZINC000040934101 183148952 /nfs/dbraw/zinc/14/89/52/183148952.db2.gz SEWZLIZAUPQMMM-RMKNXTFCSA-N 0 0 314.337 3.320 10 30 biogenic DGEERN C=CCNC(=O)COc1ccc(CCC)cc1Br ZINC000040942200 183149662 /nfs/dbraw/zinc/14/96/62/183149662.db2.gz ZDVUESXDRZBGLO-UHFFFAOYSA-N 0 0 312.207 3.083 10 30 DGEERN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000041423193 183190823 /nfs/dbraw/zinc/19/08/23/183190823.db2.gz HCILYSNNFDAELS-FZKQIMNGSA-N 0 0 324.355 3.300 10 30 DGEERN CCN(CCC#N)c1c(N)cnc2ccc(Br)cc21 ZINC000042450653 183272147 /nfs/dbraw/zinc/27/21/47/183272147.db2.gz QPVYRMFGOJDVNL-UHFFFAOYSA-N 0 0 319.206 3.319 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000287241714 335042310 /nfs/dbraw/zinc/04/23/10/335042310.db2.gz JECUBLOQQBTYKO-LBPRGKRZSA-N 0 0 318.214 3.289 10 30 DGEERN CC(C)[C@H](O)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000159507061 197358746 /nfs/dbraw/zinc/35/87/46/197358746.db2.gz JIQDTSCIIVCHTA-VXGBXAGGSA-N 0 0 315.200 3.081 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000105897965 194163019 /nfs/dbraw/zinc/16/30/19/194163019.db2.gz QJOULDPTNRPTRB-QGZVFWFLSA-N 0 0 312.392 3.293 10 30 DGEERN C=C(C)[C@@H](Cc1nc(COc2ccc(OC)cc2)no1)OCC ZINC000273722653 211004617 /nfs/dbraw/zinc/00/46/17/211004617.db2.gz OBHNTVYUHONFKC-OAHLLOKOSA-N 0 0 318.373 3.181 10 30 DGEERN N#C[C@H](C(=O)Nc1ncc(Br)s1)c1ccccc1 ZINC000061614615 184178504 /nfs/dbraw/zinc/17/85/04/184178504.db2.gz DDJNKKBNQYYBLJ-VIFPVBQESA-N 0 0 322.187 3.151 10 30 DGEERN CN(Cc1cc(Br)cs1)Cc1cccnc1C#N ZINC000061664465 184181778 /nfs/dbraw/zinc/18/17/78/184181778.db2.gz SHHGRNWHGUNNFH-UHFFFAOYSA-N 0 0 322.231 3.409 10 30 DGEERN CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000061955314 184198920 /nfs/dbraw/zinc/19/89/20/184198920.db2.gz ULJIDXQYONENBE-UHFFFAOYSA-N 0 0 312.803 3.098 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3cccc(C#N)c3)c2)no1 ZINC000064329814 184294481 /nfs/dbraw/zinc/29/44/81/184294481.db2.gz OXHKIKWCXHUBSE-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)C3(C#N)CCCCC3)c2)no1 ZINC000064331604 184294873 /nfs/dbraw/zinc/29/48/73/184294873.db2.gz AJWDALZQWRITNF-UHFFFAOYSA-N 0 0 310.357 3.458 10 30 DGEERN CSCc1cc(C(=O)NCc2cccc(C#N)c2)ccc1F ZINC000174075365 252668223 /nfs/dbraw/zinc/66/82/23/252668223.db2.gz COORUTBGRBWEER-UHFFFAOYSA-N 0 0 314.385 3.490 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 ZINC000174311376 252672114 /nfs/dbraw/zinc/67/21/14/252672114.db2.gz FZAVUDBRZOSZKL-AWEZNQCLSA-N 0 0 309.369 3.285 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000119133792 194979300 /nfs/dbraw/zinc/97/93/00/194979300.db2.gz AVDDUJZOPGKBSJ-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333392924 252952143 /nfs/dbraw/zinc/95/21/43/252952143.db2.gz DIBIHKTWGAJXGC-RMHZUWNSSA-N 0 0 318.442 3.069 10 30 DGEERN N#Cc1ccc(OCCN2CCO[C@H](c3cccs3)C2)cc1 ZINC000157606705 197201311 /nfs/dbraw/zinc/20/13/11/197201311.db2.gz YXKBPMIDLPVFRZ-INIZCTEOSA-N 0 0 314.410 3.072 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000156684822 197132704 /nfs/dbraw/zinc/13/27/04/197132704.db2.gz YTSNUKBNTXUELQ-ZDUSSCGKSA-N 0 0 323.400 3.390 10 30 DGEERN O=c1c2oc3ccccc3c2ncn1CC#Cc1ccccc1 ZINC000191716545 285215933 /nfs/dbraw/zinc/21/59/33/285215933.db2.gz NDYKAYZJUVZZRF-UHFFFAOYSA-N 0 0 300.317 3.194 10 30 DGEERN Cc1oc(-c2cccs2)nc1CC(=O)NC1(C#N)CCCC1 ZINC000120400209 195158932 /nfs/dbraw/zinc/15/89/32/195158932.db2.gz HFPCRUCEYCIZHC-UHFFFAOYSA-N 0 0 315.398 3.207 10 30 DGEERN C=CCN(C(=O)Cc1ccc(Br)s1)C1CC1 ZINC000271592079 209040075 /nfs/dbraw/zinc/04/00/75/209040075.db2.gz XAPSZMHPAPKPQX-UHFFFAOYSA-N 0 0 300.221 3.230 10 30 DGEERN CC[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1[C@H](O)CC2=O ZINC000256445784 257104317 /nfs/dbraw/zinc/10/43/17/257104317.db2.gz NANJFPZFEUIDND-LCWCZVIYSA-N 0 0 302.414 3.058 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2C#N)cc1F ZINC000120991055 195276219 /nfs/dbraw/zinc/27/62/19/195276219.db2.gz ZBNAFBOFAIYUHX-GFCCVEGCSA-N 0 0 318.373 3.045 10 30 DGEERN C[C@@H](CC#N)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184250829 533394042 /nfs/dbraw/zinc/39/40/42/533394042.db2.gz LWWMWVZAKPNOKS-AAEUAGOBSA-N 0 0 313.323 3.104 10 30 DGEERN C=C(C)CCNC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000455318146 533487356 /nfs/dbraw/zinc/48/73/56/533487356.db2.gz YGNIPJRNYIDLIO-BBRMVZONSA-N 0 0 306.381 3.263 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@@H](C)F ZINC000458867547 533509850 /nfs/dbraw/zinc/50/98/50/533509850.db2.gz BZHPODAVTPSOBM-CQSZACIVSA-N 0 0 310.417 3.300 10 30 DGEERN C[C@H](CC#N)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184250846 533595439 /nfs/dbraw/zinc/59/54/39/533595439.db2.gz LWWMWVZAKPNOKS-YPMHNXCESA-N 0 0 313.323 3.104 10 30 DGEERN CSCCCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175023386 533536217 /nfs/dbraw/zinc/53/62/17/533536217.db2.gz HCLAQCZXULALOD-UHFFFAOYSA-N 0 0 315.360 3.316 10 30 DGEERN C[C@@H](Nc1ccc(C#N)nn1)c1cccc(Br)c1 ZINC000301908049 533552339 /nfs/dbraw/zinc/55/23/39/533552339.db2.gz DYZRZXOFEDJDLY-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN C=CCC(=O)Nc1cccc(I)c1C ZINC000300949457 400100312 /nfs/dbraw/zinc/10/03/12/400100312.db2.gz LKUBBTTWCNJLLG-UHFFFAOYSA-N 0 0 301.127 3.114 10 30 DGEERN C[C@@H](C#N)Nc1cc(I)ccc1Cl ZINC000300921485 400100356 /nfs/dbraw/zinc/10/03/56/400100356.db2.gz GYSURNHLMNWPLJ-LURJTMIESA-N 0 0 306.534 3.269 10 30 DGEERN Cc1noc([C@@H]2CC[C@H](CNc3c(Cl)cccc3C#N)O2)n1 ZINC000286528180 400081358 /nfs/dbraw/zinc/08/13/58/400081358.db2.gz CDJMYBSFBPSEBH-YPMHNXCESA-N 0 0 318.764 3.235 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C(C)C)c1 ZINC000581604111 400081469 /nfs/dbraw/zinc/08/14/69/400081469.db2.gz IMSYSFZXXLUFJR-IRXDYDNUSA-N 0 0 302.418 3.200 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1cc2c(cn1)OCCO2 ZINC000581938923 400084123 /nfs/dbraw/zinc/08/41/23/400084123.db2.gz BRTUCVFOGHXFGQ-UHFFFAOYSA-N 0 0 324.380 3.071 10 30 DGEERN CCCCCCNC(=NC(=O)c1cccs1)OCCOC ZINC000004527479 400084937 /nfs/dbraw/zinc/08/49/37/400084937.db2.gz LFLVMVGJFXIQMZ-UHFFFAOYSA-N 0 0 312.435 3.077 10 30 DGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC2(CCC2)CC1 ZINC000588022437 400181717 /nfs/dbraw/zinc/18/17/17/400181717.db2.gz GPZVOLLBWOPJBQ-QGZVFWFLSA-N 0 0 320.433 3.041 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)NCc1cscn1 ZINC000328620676 400182095 /nfs/dbraw/zinc/18/20/95/400182095.db2.gz HHHBOHAHSGKXIZ-SNVBAGLBSA-N 0 0 322.459 3.032 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1cnc(C)nc1C ZINC000328623114 400182758 /nfs/dbraw/zinc/18/27/58/400182758.db2.gz IWMNRMFTFIWABT-GFCCVEGCSA-N 0 0 316.430 3.283 10 30 DGEERN C[C@@](C#N)(NC(=O)c1cc(-c2cccnc2)on1)C1CCCCC1 ZINC000609640707 400184028 /nfs/dbraw/zinc/18/40/28/400184028.db2.gz HLAJYJJRMGRENY-SFHVURJKSA-N 0 0 324.384 3.329 10 30 DGEERN N#Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000616610090 400184604 /nfs/dbraw/zinc/18/46/04/400184604.db2.gz MIRSDRMIXWRESF-KRWDZBQOSA-N 0 0 312.394 3.084 10 30 DGEERN CC(C)[C@H](C#N)C(=O)c1sccc1I ZINC000306207648 400124239 /nfs/dbraw/zinc/12/42/39/400124239.db2.gz QYWNLLGBUDIBFN-ZETCQYMHSA-N 0 0 319.167 3.331 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccc(C#N)cc1 ZINC000066853089 400124691 /nfs/dbraw/zinc/12/46/91/400124691.db2.gz LHLHPVLHCZHIPL-OXJNMPFZSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1CCOc1ccc(C#N)cc1 ZINC000066853087 400125032 /nfs/dbraw/zinc/12/50/32/400125032.db2.gz LHLHPVLHCZHIPL-JXFKEZNVSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H](C)O1 ZINC000310655903 400133277 /nfs/dbraw/zinc/13/32/77/400133277.db2.gz BSFBRFUZFKLTTK-RKDXNWHRSA-N 0 0 313.170 3.073 10 30 DGEERN C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CCS1 ZINC000310383772 400133611 /nfs/dbraw/zinc/13/36/11/400133611.db2.gz CXIZQDOMKKTLFD-QMMMGPOBSA-N 0 0 315.211 3.402 10 30 DGEERN C=CCC1(C(=O)N2CCC(CCC(=O)OCC)CC2)CCC1 ZINC000616401345 400139755 /nfs/dbraw/zinc/13/97/55/400139755.db2.gz LUJQWLBNSLFVMG-UHFFFAOYSA-N 0 0 307.434 3.315 10 30 DGEERN Cc1ccnc2ccc(C(=O)NCc3ccc(C#N)cc3F)cc12 ZINC000586774794 400152859 /nfs/dbraw/zinc/15/28/59/400152859.db2.gz SYEJAOWVLBARLV-UHFFFAOYSA-N 0 0 319.339 3.484 10 30 DGEERN C[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609253915 400155245 /nfs/dbraw/zinc/15/52/45/400155245.db2.gz BGNCOXZZLXBBCI-ZDUSSCGKSA-N 0 0 311.360 3.300 10 30 DGEERN COC(=O)c1csc([C@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000586789854 400157516 /nfs/dbraw/zinc/15/75/16/400157516.db2.gz CELHOMVOHJOFLQ-JTQLQIEISA-N 0 0 318.373 3.396 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(F)F)ccc1F ZINC000616538931 400171216 /nfs/dbraw/zinc/17/12/16/400171216.db2.gz NAVYEJMPOGNVKP-CYBMUJFWSA-N 0 0 314.307 3.173 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O ZINC000601067856 400219858 /nfs/dbraw/zinc/21/98/58/400219858.db2.gz DCZQOICLERYLPE-JKSUJKDBSA-N 0 0 311.385 3.308 10 30 DGEERN C=C[C@@H]1OCC[C@H]1c1nc([C@@H](Cc2ccccc2)OC)no1 ZINC000351145768 400236123 /nfs/dbraw/zinc/23/61/23/400236123.db2.gz PMBWDRAAUKQWPJ-QLFBSQMISA-N 0 0 300.358 3.058 10 30 DGEERN C=CCC1(c2nc(Cc3csc(C)n3)no2)CCOCC1 ZINC000351287110 400245251 /nfs/dbraw/zinc/24/52/51/400245251.db2.gz GXRHTLAWPLXNRG-UHFFFAOYSA-N 0 0 305.403 3.050 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(CC#N)cc1 ZINC000068262578 400247334 /nfs/dbraw/zinc/24/73/34/400247334.db2.gz LHWRUQIZEZXJEW-UHFFFAOYSA-N 0 0 324.428 3.403 10 30 DGEERN C=CCC1(c2nc(CC3CCC(OC)CC3)no2)CCOCC1 ZINC000351317186 400247609 /nfs/dbraw/zinc/24/76/09/400247609.db2.gz HWTXENATSLIJON-UHFFFAOYSA-N 0 0 320.433 3.442 10 30 DGEERN Cc1cccc(NC(=O)CSc2nc(C)nc(C)c2C#N)c1 ZINC000025959441 400248815 /nfs/dbraw/zinc/24/88/15/400248815.db2.gz PDYBBPWZMNLFQM-UHFFFAOYSA-N 0 0 312.398 3.004 10 30 DGEERN CC(C)(C)OC(=O)N1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616645774 400192751 /nfs/dbraw/zinc/19/27/51/400192751.db2.gz AKFZARSYIXRTHU-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(CSCC)c2)C1=O ZINC000600947481 400193640 /nfs/dbraw/zinc/19/36/40/400193640.db2.gz BJWDGLJTWHCRLK-CQSZACIVSA-N 0 0 304.415 3.331 10 30 DGEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588161698 400194520 /nfs/dbraw/zinc/19/45/20/400194520.db2.gz KTKUWXBCWFMJFP-HNNXBMFYSA-N 0 0 322.449 3.431 10 30 DGEERN CC[C@H](C)[C@@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)C(N)=O ZINC000092685001 400194899 /nfs/dbraw/zinc/19/48/99/400194899.db2.gz WDZXWKKIRJMMAI-BJOHPYRUSA-N 0 0 316.792 3.072 10 30 DGEERN CC(C)(C)OC(=O)N1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616664080 400196875 /nfs/dbraw/zinc/19/68/75/400196875.db2.gz NOLBYYBFGVOHSM-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN COc1ccc(COCCNc2cc(C)nc(C)c2C#N)cc1 ZINC000092959081 400215163 /nfs/dbraw/zinc/21/51/63/400215163.db2.gz CBLGYXLDJKXKRB-UHFFFAOYSA-N 0 0 311.385 3.207 10 30 DGEERN C=C(C)C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)OC ZINC000601227413 400268421 /nfs/dbraw/zinc/26/84/21/400268421.db2.gz NJKKIHBPPSSDDG-AWEZNQCLSA-N 0 0 315.329 3.063 10 30 DGEERN C=C(C)C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)OC ZINC000601227414 400268815 /nfs/dbraw/zinc/26/88/15/400268815.db2.gz NJKKIHBPPSSDDG-CQSZACIVSA-N 0 0 315.329 3.063 10 30 DGEERN C[C@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)c1ccncc1 ZINC000610516908 400269204 /nfs/dbraw/zinc/26/92/04/400269204.db2.gz IQLZZDTVAFIBCZ-LLVKDONJSA-N 0 0 324.334 3.417 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000617034516 400286620 /nfs/dbraw/zinc/28/66/20/400286620.db2.gz AFIZYCUPXABBFT-SJLPKXTDSA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccsc1 ZINC000617034780 400286830 /nfs/dbraw/zinc/28/68/30/400286830.db2.gz DJTCRHQRDJJYBL-DZGCQCFKSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000617034878 400286990 /nfs/dbraw/zinc/28/69/90/400286990.db2.gz FMOGISBPAAXCHH-HOTGVXAUSA-N 0 0 315.413 3.251 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000617035710 400287531 /nfs/dbraw/zinc/28/75/31/400287531.db2.gz RGOAPKNFAUHRFC-KEYYUXOJSA-N 0 0 301.386 3.078 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000617036664 400287792 /nfs/dbraw/zinc/28/77/92/400287792.db2.gz CPZIMGXTXXVWEK-HIFRSBDPSA-N 0 0 317.433 3.072 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2cc(C)nn2c1C ZINC000617036995 400287940 /nfs/dbraw/zinc/28/79/40/400287940.db2.gz HCQADQTYOZMPPY-HOCLYGCPSA-N 0 0 312.417 3.211 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000617039641 400288835 /nfs/dbraw/zinc/28/88/35/400288835.db2.gz JQGJYNZFVYSKLL-YOEHRIQHSA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)CCC)C1 ZINC000617037997 400288941 /nfs/dbraw/zinc/28/89/41/400288941.db2.gz UCJCMYSHXGZLGY-IXDOHACOSA-N 0 0 320.477 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CNC(C)=O)s1 ZINC000617038550 400288965 /nfs/dbraw/zinc/28/89/65/400288965.db2.gz YUZXXGRFRODJMG-HIFRSBDPSA-N 0 0 320.458 3.249 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1OC ZINC000617039522 400289381 /nfs/dbraw/zinc/28/93/81/400289381.db2.gz IPSYXRVLVPNFGD-CABCVRRESA-N 0 0 302.418 3.358 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)n1 ZINC000617040198 400289827 /nfs/dbraw/zinc/28/98/27/400289827.db2.gz QSNGPHNWDRGGKV-CABCVRRESA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCn1c(C)c(C)sc1=O ZINC000617040433 400289925 /nfs/dbraw/zinc/28/99/25/400289925.db2.gz UHBUFGXNLNGWRZ-GJZGRUSLSA-N 0 0 322.474 3.168 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000617041787 400290156 /nfs/dbraw/zinc/29/01/56/400290156.db2.gz IWTZSZGKZOKLKZ-COXVUDFISA-N 0 0 303.402 3.331 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1c2c(nn1C)CCCC2 ZINC000617040367 400290295 /nfs/dbraw/zinc/29/02/95/400290295.db2.gz SVGGVYLEHWUGIA-ZFWWWQNUSA-N 0 0 301.434 3.164 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC000617042000 400290897 /nfs/dbraw/zinc/29/08/97/400290897.db2.gz LVVVMEQTQRQVLW-YCPHGPKFSA-N 0 0 301.434 3.091 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCC(OCCOC)CC1 ZINC000617042524 400290991 /nfs/dbraw/zinc/29/09/91/400290991.db2.gz SINPAZCFMGFLPN-BFWZDYSYSA-N 0 0 323.477 3.459 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000617043473 400291371 /nfs/dbraw/zinc/29/13/71/400291371.db2.gz AGYYLUPMLDCTGJ-SQWLQELKSA-N 0 0 301.434 3.330 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000617045092 400291938 /nfs/dbraw/zinc/29/19/38/400291938.db2.gz XAVKLZRUTCNNNC-WCQYABFASA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c(=O)n1C ZINC000617043900 400292309 /nfs/dbraw/zinc/29/23/09/400292309.db2.gz GMDFTTZTIYHBPY-WMLDXEAASA-N 0 0 324.424 3.403 10 30 DGEERN Cc1cccc(CC2CN(c3ccc(C#N)cc3[N+](=O)[O-])C2)c1 ZINC000610716409 400295221 /nfs/dbraw/zinc/29/52/21/400295221.db2.gz GVECPBRKKPTKNY-UHFFFAOYSA-N 0 0 307.353 3.454 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000601497858 400304102 /nfs/dbraw/zinc/30/41/02/400304102.db2.gz DZUAPFVGPXZQMB-UHFFFAOYSA-N 0 0 324.421 3.109 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cccc3ncccc32)c(F)c1 ZINC000103912094 400310462 /nfs/dbraw/zinc/31/04/62/400310462.db2.gz ILMJXUBDXIHLHX-UHFFFAOYSA-N 0 0 305.312 3.176 10 30 DGEERN C=CCC[C@H](NC(=O)c1cscc1Cl)C(=O)OCC ZINC000601620147 400317882 /nfs/dbraw/zinc/31/78/82/400317882.db2.gz IXVGQMAZAVINCX-NSHDSACASA-N 0 0 301.795 3.029 10 30 DGEERN C=CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000610892654 400320912 /nfs/dbraw/zinc/32/09/12/400320912.db2.gz KQVWHFYIGNCNIL-UHFFFAOYSA-N 0 0 313.328 3.445 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC1(C#N)CC1 ZINC000590375276 400381865 /nfs/dbraw/zinc/38/18/65/400381865.db2.gz RCLSSFSKOHOXLG-UHFFFAOYSA-N 0 0 300.406 3.063 10 30 DGEERN C=CCCOCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000611351449 400383855 /nfs/dbraw/zinc/38/38/55/400383855.db2.gz UPASKMNRFSLKEX-UHFFFAOYSA-N 0 0 320.392 3.434 10 30 DGEERN C=CCCC1(CNC(=O)COc2ccc(CO)cc2)CCCC1 ZINC000617417663 400385588 /nfs/dbraw/zinc/38/55/88/400385588.db2.gz AJZJCGYROUJHSZ-UHFFFAOYSA-N 0 0 317.429 3.201 10 30 DGEERN Cc1cc(C#N)cc(C)c1OCCCCCc1cc(CO)no1 ZINC000034381593 400385838 /nfs/dbraw/zinc/38/58/38/400385838.db2.gz XUYCHIAVVICPGX-UHFFFAOYSA-N 0 0 314.385 3.447 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)Cc2cnn(C)c2)CCCC1 ZINC000617418898 400386101 /nfs/dbraw/zinc/38/61/01/400386101.db2.gz MLNZSWQGUOKYEY-HNNXBMFYSA-N 0 0 303.450 3.242 10 30 DGEERN N#Cc1nn([C@H]2CCCCO2)c2ccc(Br)cc12 ZINC000114334937 400386514 /nfs/dbraw/zinc/38/65/14/400386514.db2.gz YYONHQDVCASUEJ-CYBMUJFWSA-N 0 0 306.163 3.370 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000030525978 400327636 /nfs/dbraw/zinc/32/76/36/400327636.db2.gz IOWLZZOBOJTDDK-KRWDZBQOSA-N 0 0 320.392 3.327 10 30 DGEERN C=CCn1c(SCc2ccnc(C#N)c2)nnc1-c1ccco1 ZINC000610957113 400329109 /nfs/dbraw/zinc/32/91/09/400329109.db2.gz UEPPXWLAYCHPJJ-UHFFFAOYSA-N 0 0 323.381 3.283 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)CC1CCC(C(=O)OCC)CC1 ZINC000578773149 400331598 /nfs/dbraw/zinc/33/15/98/400331598.db2.gz DYNAFCKDHMGUEN-UYSNPLJNSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000106910756 400332883 /nfs/dbraw/zinc/33/28/83/400332883.db2.gz RAYPPEFSQBXWGS-IBGZPJMESA-N 0 0 324.424 3.363 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)C(C)C ZINC000579584672 400340666 /nfs/dbraw/zinc/34/06/66/400340666.db2.gz HPQFHVAZFMGCLK-ULQDDVLXSA-N 0 0 302.418 3.274 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C3CCCC3)nn2C)CCOCC1 ZINC000579584202 400341043 /nfs/dbraw/zinc/34/10/43/400341043.db2.gz LEBSEKPRIBOAGM-UHFFFAOYSA-N 0 0 317.433 3.389 10 30 DGEERN CC(C)(C#N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601729751 400341405 /nfs/dbraw/zinc/34/14/05/400341405.db2.gz YFVBOWHMYONGAC-QGZVFWFLSA-N 0 0 313.445 3.097 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000579825745 400342824 /nfs/dbraw/zinc/34/28/24/400342824.db2.gz OUQCSUMRUQEHIH-KBPBESRZSA-N 0 0 314.389 3.258 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(=O)OC ZINC000601772215 400346998 /nfs/dbraw/zinc/34/69/98/400346998.db2.gz ODIPTJPHVAOJPE-INIZCTEOSA-N 0 0 314.385 3.022 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1c(C)oc2ccccc21 ZINC000580948864 400347885 /nfs/dbraw/zinc/34/78/85/400347885.db2.gz ZCBBKGPRIKHYDY-BBRMVZONSA-N 0 0 314.385 3.132 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000601781560 400347984 /nfs/dbraw/zinc/34/79/84/400347984.db2.gz JBIHECFRYJGVRX-RISCZKNCSA-N 0 0 309.793 3.068 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc2sccc2c1)C(=O)OC ZINC000601782660 400348327 /nfs/dbraw/zinc/34/83/27/400348327.db2.gz RLFKQGGYXVBICG-ZDUSSCGKSA-N 0 0 303.383 3.139 10 30 DGEERN C=C(C)C[C@H](NC(=O)CC/C=C\c1ccccc1)C(=O)OC ZINC000601781554 400348412 /nfs/dbraw/zinc/34/84/12/400348412.db2.gz JAKWKXGQFXWHJS-UBAGTECSSA-N 0 0 301.386 3.104 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(C(C)(F)F)cc1)C(=O)OC ZINC000601783798 400349128 /nfs/dbraw/zinc/34/91/28/400349128.db2.gz XXSQTHQDGNANIO-ZDUSSCGKSA-N 0 0 311.328 3.036 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@H](C)CCc1cccc(F)c1)C(=O)OC ZINC000601783439 400349138 /nfs/dbraw/zinc/34/91/38/400349138.db2.gz WSDUQLYJWWLONI-CJNGLKHVSA-N 0 0 321.392 3.018 10 30 DGEERN N#Cc1ccc(CNC(=O)NCC23CCC(CC2)C3)c(F)c1 ZINC000611135481 400349342 /nfs/dbraw/zinc/34/93/42/400349342.db2.gz SXBSFNAXRYGOSE-UHFFFAOYSA-N 0 0 301.365 3.077 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000601783338 400349770 /nfs/dbraw/zinc/34/97/70/400349770.db2.gz BIPTVMPSSUQPSE-BRWVUGGUSA-N 0 0 315.413 3.194 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)Cc1ccc(F)cc1C ZINC000617320222 400351274 /nfs/dbraw/zinc/35/12/74/400351274.db2.gz LOYUJAKSXBBCET-RDTXWAMCSA-N 0 0 307.409 3.410 10 30 DGEERN C=CCCCCCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000581200437 400351414 /nfs/dbraw/zinc/35/14/14/400351414.db2.gz OWZUBLXGFPZTLE-QGZVFWFLSA-N 0 0 318.417 3.222 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000111458666 400364444 /nfs/dbraw/zinc/36/44/44/400364444.db2.gz PWSOGOZBVHVNQC-CYBMUJFWSA-N 0 0 318.417 3.372 10 30 DGEERN C=CCCOCC(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000611400643 400393441 /nfs/dbraw/zinc/39/34/41/400393441.db2.gz SJXLCZFJPBAFSS-UHFFFAOYSA-N 0 0 305.374 3.173 10 30 DGEERN CC(C)(C)C(=O)N1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000041260083 400404174 /nfs/dbraw/zinc/40/41/74/400404174.db2.gz AYLQUFCLNBKYKJ-OAHLLOKOSA-N 0 0 319.836 3.095 10 30 DGEERN C=CCSCCNC(=O)c1cc(C(F)(F)F)cnc1C ZINC000602088155 400411417 /nfs/dbraw/zinc/41/14/17/400411417.db2.gz MFFQQHKZASRTEM-UHFFFAOYSA-N 0 0 304.337 3.058 10 30 DGEERN N#Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000611497983 400411477 /nfs/dbraw/zinc/41/14/77/400411477.db2.gz YYZJNJJSRMPGHZ-UHFFFAOYSA-N 0 0 303.268 3.034 10 30 DGEERN C=C/C(C)=C\CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602181778 400422430 /nfs/dbraw/zinc/42/24/30/400422430.db2.gz AVWOEPABWXNHGH-NVNXTCNLSA-N 0 0 309.413 3.484 10 30 DGEERN C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000611561012 400422721 /nfs/dbraw/zinc/42/27/21/400422721.db2.gz RTJLLAUVMCBRSJ-DZGCQCFKSA-N 0 0 300.402 3.488 10 30 DGEERN C=CCN(C(=O)CCCC(=O)c1ccc(C)cc1)[C@@H](C)COC ZINC000617582571 400419465 /nfs/dbraw/zinc/41/94/65/400419465.db2.gz PSOSSDBVKXGEDD-INIZCTEOSA-N 0 0 317.429 3.398 10 30 DGEERN C=CCN(C(=O)c1cc(F)cc2ccncc21)[C@H](C)COC ZINC000617585117 400419590 /nfs/dbraw/zinc/41/95/90/400419590.db2.gz UMJOFKOWXGBFEB-GFCCVEGCSA-N 0 0 302.349 3.037 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000602285189 400434305 /nfs/dbraw/zinc/43/43/05/400434305.db2.gz HNHFJPIZEWTXFI-SOHPYSCWSA-N 0 0 320.458 3.093 10 30 DGEERN C=CCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000617617071 400426729 /nfs/dbraw/zinc/42/67/29/400426729.db2.gz UWEZKDAJPPRMQH-HNNXBMFYSA-N 0 0 301.434 3.186 10 30 DGEERN C=CCCSCCNC(=O)N1CC(Cc2cccs2)C1 ZINC000602332450 400440902 /nfs/dbraw/zinc/44/09/02/400440902.db2.gz FRWWILMMFIANBN-UHFFFAOYSA-N 0 0 310.488 3.241 10 30 DGEERN C=C(C)[C@H](CC(=O)NCCc1ccnc2ccccc12)OCC ZINC000617671439 400442664 /nfs/dbraw/zinc/44/26/64/400442664.db2.gz IXIDQOAGOMUTKB-SFHVURJKSA-N 0 0 312.413 3.265 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000602377052 400448047 /nfs/dbraw/zinc/44/80/47/400448047.db2.gz NHHBNYZRTMRHIG-NSHDSACASA-N 0 0 306.387 3.355 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCC(C2CCC2)CC1 ZINC000617771417 400450036 /nfs/dbraw/zinc/45/00/36/400450036.db2.gz RWCSORRYWDXTGJ-UHFFFAOYSA-N 0 0 300.402 3.299 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)C1 ZINC000617787273 400455292 /nfs/dbraw/zinc/45/52/92/400455292.db2.gz KQHDHCJKVHLERZ-LSDHHAIUSA-N 0 0 303.402 3.277 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000617789417 400456375 /nfs/dbraw/zinc/45/63/75/400456375.db2.gz ILOPAMMQNAKYTL-SJLPKXTDSA-N 0 0 314.429 3.069 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cnc3c(c2)CCCC3)c(F)c1 ZINC000611835978 400457127 /nfs/dbraw/zinc/45/71/27/400457127.db2.gz FOJRGZTXMVNOIR-UHFFFAOYSA-N 0 0 324.359 3.293 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H](C)c2cscn2)cc1 ZINC000617821562 400457552 /nfs/dbraw/zinc/45/75/52/400457552.db2.gz WHXXVLQJBGLUDE-GFCCVEGCSA-N 0 0 302.399 3.128 10 30 DGEERN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC[C@@](C)(C#N)C1 ZINC000612167016 400503381 /nfs/dbraw/zinc/50/33/81/400503381.db2.gz ZGYSJRYFKRQBLC-HOCLYGCPSA-N 0 0 324.783 3.319 10 30 DGEERN CS[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000612173515 400504279 /nfs/dbraw/zinc/50/42/79/400504279.db2.gz ZIVBBAGBIBERRX-AWEZNQCLSA-N 0 0 323.437 3.274 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007668 400508303 /nfs/dbraw/zinc/50/83/03/400508303.db2.gz ZIGJBIVPDPETQC-GUYCJALGSA-N 0 0 321.852 3.387 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)Cc1cncc(OC)c1C ZINC000602453159 400466958 /nfs/dbraw/zinc/46/69/58/400466958.db2.gz GNEZKGNMCJIMMF-UHFFFAOYSA-N 0 0 307.397 3.459 10 30 DGEERN COCCOc1ccc(C#N)cc1NCc1nc2ccccc2o1 ZINC000612013344 400474577 /nfs/dbraw/zinc/47/45/77/400474577.db2.gz CLRFNIFTHHYFMM-UHFFFAOYSA-N 0 0 323.352 3.337 10 30 DGEERN CCN(Cc1cccs1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000043755651 400477528 /nfs/dbraw/zinc/47/75/28/400477528.db2.gz PQIMEVAWGJXDHA-ZDUSSCGKSA-N 0 0 314.410 3.436 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000043878658 400480636 /nfs/dbraw/zinc/48/06/36/400480636.db2.gz LHQAGWLUXDVCQO-CYBMUJFWSA-N 0 0 304.390 3.148 10 30 DGEERN CSCCCC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000129643450 400528034 /nfs/dbraw/zinc/52/80/34/400528034.db2.gz DGCLFHWBRONBPU-UHFFFAOYSA-N 0 0 301.462 3.149 10 30 DGEERN CCO[C@@H](C#N)c1ncc(Br)cc1Br ZINC000130151044 400534315 /nfs/dbraw/zinc/53/43/15/400534315.db2.gz IOESWBKTFHJYDY-QMMMGPOBSA-N 0 0 319.984 3.208 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)c2ccccc21 ZINC000130093318 400534331 /nfs/dbraw/zinc/53/43/31/400534331.db2.gz OXMFEZOUYYDAHH-KBPBESRZSA-N 0 0 306.365 3.476 10 30 DGEERN C=CCC1(NC(=O)c2ccc(C(C)(C)C)cn2)CCOCC1 ZINC000618251721 400552550 /nfs/dbraw/zinc/55/25/50/400552550.db2.gz QNKURDMPEABYTE-UHFFFAOYSA-N 0 0 302.418 3.234 10 30 DGEERN C=C(C)C[C@H](NCc1cc2cc(OC)ccc2o1)C(=O)OC ZINC000602733407 400556879 /nfs/dbraw/zinc/55/68/79/400556879.db2.gz HZUIAEQPBBBHIC-HNNXBMFYSA-N 0 0 303.358 3.039 10 30 DGEERN C=C(C)C[C@@H](NCc1cnc(-c2ccco2)s1)C(=O)OC ZINC000602735614 400558396 /nfs/dbraw/zinc/55/83/96/400558396.db2.gz YOWIWUALXJTLLV-GFCCVEGCSA-N 0 0 306.387 3.001 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCOc2c(C)cccc2C)cc1 ZINC000140134265 400615642 /nfs/dbraw/zinc/61/56/42/400615642.db2.gz RAQSVZISBFWTDH-UHFFFAOYSA-N 0 0 320.410 3.396 10 30 DGEERN C=C(C)CN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603105219 400642940 /nfs/dbraw/zinc/64/29/40/400642940.db2.gz VASPLUSZJVQDTL-LSDHHAIUSA-N 0 0 302.374 3.003 10 30 DGEERN CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C ZINC000144716605 400643225 /nfs/dbraw/zinc/64/32/25/400643225.db2.gz ZWQRBPIGEGXFCU-UHFFFAOYSA-N 0 0 305.381 3.132 10 30 DGEERN Cc1ccc(NCc2cc(C#N)ccc2F)cc1S(C)(=O)=O ZINC000134892506 400582340 /nfs/dbraw/zinc/58/23/40/400582340.db2.gz CLYPVMLNKANSJR-UHFFFAOYSA-N 0 0 318.373 3.021 10 30 DGEERN C=C(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000602818906 400584591 /nfs/dbraw/zinc/58/45/91/400584591.db2.gz NTIUXLFTFCNXMR-CQSZACIVSA-N 0 0 322.315 3.014 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592031354 400598408 /nfs/dbraw/zinc/59/84/08/400598408.db2.gz INIPTYRPMRVDOU-UHFFFAOYSA-N 0 0 324.465 3.352 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000602903861 400603182 /nfs/dbraw/zinc/60/31/82/400603182.db2.gz UNZREHQMSFYNEH-UXLLHSPISA-N 0 0 301.386 3.092 10 30 DGEERN C=CCOCCCNC(=O)c1sc2nccc(C)c2c1C ZINC000618514897 400608220 /nfs/dbraw/zinc/60/82/20/400608220.db2.gz QOZTZGNXAHJJTI-UHFFFAOYSA-N 0 0 304.415 3.236 10 30 DGEERN C=CCOCCCNC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000618523380 400610717 /nfs/dbraw/zinc/61/07/17/400610717.db2.gz FZTIZOPFXQIJPE-UHFFFAOYSA-N 0 0 300.402 3.118 10 30 DGEERN C=CCOCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000618523569 400610756 /nfs/dbraw/zinc/61/07/56/400610756.db2.gz KNEUXNKBJKUBKU-UHFFFAOYSA-N 0 0 306.793 3.073 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](CC)Oc1ccccc1Cl ZINC000618523914 400610903 /nfs/dbraw/zinc/61/09/03/400610903.db2.gz VPVHQGZNBFIEPL-CQSZACIVSA-N 0 0 311.809 3.206 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(-c2ccsc2)nc1C ZINC000618522552 400610947 /nfs/dbraw/zinc/61/09/47/400610947.db2.gz MDBOBEZWLQLQLS-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000618521256 400611033 /nfs/dbraw/zinc/61/10/33/400611033.db2.gz QWGTUNIHHJGIEM-INIZCTEOSA-N 0 0 317.429 3.214 10 30 DGEERN C=CCOCCCNC(=O)c1ncsc1-c1ccccc1 ZINC000618524742 400611761 /nfs/dbraw/zinc/61/17/61/400611761.db2.gz ODPUZZFKZIAPME-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCOCCCNC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000618525306 400611782 /nfs/dbraw/zinc/61/17/82/400611782.db2.gz HGAABXFSOOKDBG-UHFFFAOYSA-N 0 0 323.261 3.306 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603157552 400650975 /nfs/dbraw/zinc/65/09/75/400650975.db2.gz QLBONWNGZWNSKC-QAPCUYQASA-N 0 0 311.429 3.198 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000076489697 400657555 /nfs/dbraw/zinc/65/75/55/400657555.db2.gz VBVBPSJJTDWTJI-DOTOQJQBSA-N 0 0 316.445 3.256 10 30 DGEERN C=CCN(c1nnc(Cc2ccccc2O)n1CC1CC1)C1CC1 ZINC000613089453 400653648 /nfs/dbraw/zinc/65/36/48/400653648.db2.gz QMMSAPHTLUWVTF-UHFFFAOYSA-N 0 0 324.428 3.139 10 30 DGEERN CCN(C(=O)c1cncc(COC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000613175673 400668285 /nfs/dbraw/zinc/66/82/85/400668285.db2.gz HBKKCJFPFUSYDL-AWEZNQCLSA-N 0 0 323.396 3.323 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCOC[C@H]1c1cccc(F)c1)OCC ZINC000618769311 400684634 /nfs/dbraw/zinc/68/46/34/400684634.db2.gz GNQGYEZBKMBODF-DLBZAZTESA-N 0 0 321.392 3.097 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000613490466 400733943 /nfs/dbraw/zinc/73/39/43/400733943.db2.gz XXWIRNNPCAWKAN-SFHVURJKSA-N 0 0 301.430 3.330 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC2(C1)CCOCC2 ZINC000613346195 400700967 /nfs/dbraw/zinc/70/09/67/400700967.db2.gz ZOCQSEZSILJXKS-UHFFFAOYSA-N 0 0 303.427 3.217 10 30 DGEERN CC(C)(C)c1ccc(C#N)c(NC[C@@H](CO)c2ccccc2)n1 ZINC000613426758 400717218 /nfs/dbraw/zinc/71/72/18/400717218.db2.gz JURDUBATQRMLDP-INIZCTEOSA-N 0 0 309.413 3.439 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000619229210 400804287 /nfs/dbraw/zinc/80/42/87/400804287.db2.gz ATZFRZXXFVMZCK-BLZCZZARSA-N 0 0 301.377 3.299 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](C)NC(=O)[C@@H](C)CC(=C)C ZINC000613956486 400818032 /nfs/dbraw/zinc/81/80/32/400818032.db2.gz KBXIKPQOEHPYSC-YHUYYLMFSA-N 0 0 308.466 3.200 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)[C@H]1Cc3ccccc31)CCCC2 ZINC000614299389 400873427 /nfs/dbraw/zinc/87/34/27/400873427.db2.gz PUXUMVMOASHFGN-INIZCTEOSA-N 0 0 303.365 3.110 10 30 DGEERN Cc1ccccc1OCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179751029 400879263 /nfs/dbraw/zinc/87/92/63/400879263.db2.gz AAQDCQYMWLTGSB-UHFFFAOYSA-N 0 0 320.392 3.359 10 30 DGEERN Cc1nc(-c2ccccc2)[nH]c1C(=O)NCC1CCC(C#N)CC1 ZINC000619674671 400882169 /nfs/dbraw/zinc/88/21/69/400882169.db2.gz QOGRMAHWOLJSKV-UHFFFAOYSA-N 0 0 322.412 3.445 10 30 DGEERN CN1CC[C@@H](C(=O)NCC2CCC(C#N)CC2)c2ccccc21 ZINC000619674631 400882270 /nfs/dbraw/zinc/88/22/70/400882270.db2.gz SVEBGMSCIYKSDO-VMBOVVBDSA-N 0 0 311.429 3.056 10 30 DGEERN C=CC[C@H]1N(C(=O)[C@H]2CCc3nc[nH]c3C2)CCCC1(C)C ZINC000614054932 400831812 /nfs/dbraw/zinc/83/18/12/400831812.db2.gz IACIMMUFEZCNJH-XJKSGUPXSA-N 0 0 301.434 3.108 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC000614133726 400841605 /nfs/dbraw/zinc/84/16/05/400841605.db2.gz POWXUTBPNUJSHV-MRXNPFEDSA-N 0 0 310.401 3.344 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cncc(Br)c1C ZINC000614133772 400841812 /nfs/dbraw/zinc/84/18/12/400841812.db2.gz QWSBXACUTHUJAC-LLVKDONJSA-N 0 0 309.207 3.333 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000173898402 400849572 /nfs/dbraw/zinc/84/95/72/400849572.db2.gz SMICRTBDESTLIF-UHFFFAOYSA-N 0 0 324.311 3.252 10 30 DGEERN N#C[C@]1(F)CCN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000619561310 400866975 /nfs/dbraw/zinc/86/69/75/400866975.db2.gz ITRUUXUTNFJTMC-YQVWRLOYSA-N 0 0 323.371 3.343 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N(C)Cc1ccc(OC)nc1 ZINC000633411373 400940091 /nfs/dbraw/zinc/94/00/91/400940091.db2.gz QDZXKDAFHADMBY-UHFFFAOYSA-N 0 0 305.422 3.224 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OCCC)c(F)c1 ZINC000629501994 400946289 /nfs/dbraw/zinc/94/62/89/400946289.db2.gz FSZKJRLPTQMFIR-OAHLLOKOSA-N 0 0 322.380 3.024 10 30 DGEERN C=C[C@H](N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000619704444 400892354 /nfs/dbraw/zinc/89/23/54/400892354.db2.gz JLTGJALXRYFANF-WCFLWFBJSA-N 0 0 300.185 3.167 10 30 DGEERN CC(=O)Nc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182232279 400892512 /nfs/dbraw/zinc/89/25/12/400892512.db2.gz YAANKLDGOCCHKQ-UHFFFAOYSA-N 0 0 319.364 3.452 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000182484369 400893215 /nfs/dbraw/zinc/89/32/15/400893215.db2.gz TZMNQLWZKJBAFW-UHFFFAOYSA-N 0 0 307.309 3.402 10 30 DGEERN 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/nfs/dbraw/zinc/30/03/13/401300313.db2.gz VTEWNMJIBAAELL-UHFFFAOYSA-N 0 0 314.307 3.226 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000066305346 401301218 /nfs/dbraw/zinc/30/12/18/401301218.db2.gz RVKLCGMTPCIMAS-UHFFFAOYSA-N 0 0 314.307 3.144 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000066305917 401301284 /nfs/dbraw/zinc/30/12/84/401301284.db2.gz ITOXTRBTADPCOS-LBPRGKRZSA-N 0 0 301.333 3.280 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000630626172 401302365 /nfs/dbraw/zinc/30/23/65/401302365.db2.gz PWFBPTGHQPSJJR-UHFFFAOYSA-N 0 0 314.385 3.117 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CC)c2ccccc2OCC)C1=O ZINC000630970001 401363155 /nfs/dbraw/zinc/36/31/55/401363155.db2.gz IVVYKILOCXKZIP-LSDHHAIUSA-N 0 0 316.401 3.423 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccccc2OC2CCC2)C1=O ZINC000630978561 401363816 /nfs/dbraw/zinc/36/38/16/401363816.db2.gz YZYQTWSXKAYMRO-HNNXBMFYSA-N 0 0 314.385 3.005 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2C[C@H](c3cccc(Cl)c3)C2)C1=O ZINC000630982251 401364127 /nfs/dbraw/zinc/36/41/27/401364127.db2.gz MBDUNZGTNRHYDH-QEJZJMRPSA-N 0 0 318.804 3.473 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000630981547 401364314 /nfs/dbraw/zinc/36/43/14/401364314.db2.gz GVAIEOCCCBDAGC-KBMXLJTQSA-N 0 0 316.376 3.348 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N([C@H](C)c2ccc(SC)cc2)C1=O ZINC000630980682 401364533 /nfs/dbraw/zinc/36/45/33/401364533.db2.gz CAWNIFKZNNNFDC-BXUZGUMPSA-N 0 0 304.415 3.356 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC)Cc1ccc(C)cc1 ZINC000622771224 401413441 /nfs/dbraw/zinc/41/34/41/401413441.db2.gz ARKOOAHFPZFDGX-SFHVURJKSA-N 0 0 316.445 3.205 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1cnn(C)c1C(F)(F)F ZINC000626526069 401370124 /nfs/dbraw/zinc/37/01/24/401370124.db2.gz NERPUPAENLIIDO-UHFFFAOYSA-N 0 0 304.316 3.163 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000626554965 401373919 /nfs/dbraw/zinc/37/39/19/401373919.db2.gz 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314.385 3.398 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000627688559 401485167 /nfs/dbraw/zinc/48/51/67/401485167.db2.gz KPKOQTMOZLABRY-UHFFFAOYSA-N 0 0 312.772 3.136 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000627688465 401485175 /nfs/dbraw/zinc/48/51/75/401485175.db2.gz GSTWLFONLLDLRI-UHFFFAOYSA-N 0 0 312.772 3.136 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(SC)c1 ZINC000627688847 401485206 /nfs/dbraw/zinc/48/52/06/401485206.db2.gz ZWHUYNQFLKGVTP-UHFFFAOYSA-N 0 0 306.431 3.066 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(SC)cc1 ZINC000627688370 401485249 /nfs/dbraw/zinc/48/52/49/401485249.db2.gz BBMXYMJTACFEQE-UHFFFAOYSA-N 0 0 306.431 3.066 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCCn2cnc3ccccc32)C1 ZINC000623344777 401495830 /nfs/dbraw/zinc/49/58/30/401495830.db2.gz ATMILOPVWJKMJC-HNNXBMFYSA-N 0 0 312.417 3.034 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2ccc(C)c(OC)c2)C1 ZINC000623653928 401562533 /nfs/dbraw/zinc/56/25/33/401562533.db2.gz RFHQXHUEVUUGFB-INIZCTEOSA-N 0 0 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401591993 /nfs/dbraw/zinc/59/19/93/401591993.db2.gz NUMSSTROHGXEKH-GJZGRUSLSA-N 0 0 315.348 3.040 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2cn(C)nc2-c2ccccc2)C1 ZINC000623875864 401592744 /nfs/dbraw/zinc/59/27/44/401592744.db2.gz ZUQPNRFAWARIBD-OAHLLOKOSA-N 0 0 324.428 3.195 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1nn(C)c2ccccc12 ZINC000623901213 401596629 /nfs/dbraw/zinc/59/66/29/401596629.db2.gz BEONQYKUAXYGIS-UHFFFAOYSA-N 0 0 314.433 3.017 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)C1 ZINC000632281672 401597488 /nfs/dbraw/zinc/59/74/88/401597488.db2.gz FMKBETBAPUTSLV-CJNGLKHVSA-N 0 0 303.402 3.244 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cc(COC(C)(C)C)on2)C1 ZINC000623906843 401597577 /nfs/dbraw/zinc/59/75/77/401597577.db2.gz GMDANGQLBIMOQE-ZDUSSCGKSA-N 0 0 321.421 3.097 10 30 DGEERN C=C(C)CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623908677 401597587 /nfs/dbraw/zinc/59/75/87/401597587.db2.gz LNXYZZGUGONFCA-UHFFFAOYSA-N 0 0 319.149 3.103 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(OC)cccc32)C1 ZINC000623541855 401542870 /nfs/dbraw/zinc/54/28/70/401542870.db2.gz ATUSKEOMGBRSSZ-HIFRSBDPSA-N 0 0 316.401 3.126 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1nc(C)c2ccccc2n1 ZINC000623549875 401544871 /nfs/dbraw/zinc/54/48/71/401544871.db2.gz SOOIVJNKZJDLDI-UHFFFAOYSA-N 0 0 312.417 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000623612589 401556537 /nfs/dbraw/zinc/55/65/37/401556537.db2.gz AIELUVTZSLQBOP-UHFFFAOYSA-N 0 0 302.418 3.066 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1cc(OC)ccc1OC ZINC000623615619 401556876 /nfs/dbraw/zinc/55/68/76/401556876.db2.gz LXXFHBVVEJGHQW-UHFFFAOYSA-N 0 0 320.433 3.148 10 30 DGEERN C=CC[C@H]1N(C(=O)c2cncc3ncn(C)c32)CCCC1(C)C ZINC000632771745 401625507 /nfs/dbraw/zinc/62/55/07/401625507.db2.gz SMQXRGAOELZHGU-OAHLLOKOSA-N 0 0 312.417 3.175 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1c(C)nn(COCC)c1C ZINC000632849769 401631829 /nfs/dbraw/zinc/63/18/29/401631829.db2.gz QFKWBQOXYVMYQU-BBRMVZONSA-N 0 0 321.465 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ZINC000628489071 401607384 /nfs/dbraw/zinc/60/73/84/401607384.db2.gz OLZVYXPQUJZWOF-ZIAGYGMSSA-N 0 0 303.377 3.459 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000628490070 401607391 /nfs/dbraw/zinc/60/73/91/401607391.db2.gz OZTSNUFAXBIRHM-AWEZNQCLSA-N 0 0 310.397 3.298 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2nc(C)sc2Br)C1 ZINC000628492287 401607471 /nfs/dbraw/zinc/60/74/71/401607471.db2.gz RJDOLCXBYVLQPO-VIFPVBQESA-N 0 0 315.236 3.252 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000628493213 401608240 /nfs/dbraw/zinc/60/82/40/401608240.db2.gz LLKGBEDHWLIYTK-AGIUHOORSA-N 0 0 305.340 3.159 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cc(C)n([C@@H]2CCCOC2)c1C ZINC000623990210 401609731 /nfs/dbraw/zinc/60/97/31/401609731.db2.gz XFVWLHRBZFZCMS-MRXNPFEDSA-N 0 0 304.434 3.495 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H]2CCOc3ccc(OCC)cc32)C1 ZINC000632548749 401613921 /nfs/dbraw/zinc/61/39/21/401613921.db2.gz VTMBKAMRRHLITI-OAHLLOKOSA-N 0 0 301.386 3.381 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)C1 ZINC000632667508 401618402 /nfs/dbraw/zinc/61/84/02/401618402.db2.gz VKKWODSOEVPOOZ-GFCCVEGCSA-N 0 0 318.383 3.122 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H](C)COc2c(F)cccc2F)C1 ZINC000624363050 401655535 /nfs/dbraw/zinc/65/55/35/401655535.db2.gz OUEUNDFFNXUQEJ-STQMWFEESA-N 0 0 324.371 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000624376188 401656713 /nfs/dbraw/zinc/65/67/13/401656713.db2.gz KOXQDHNXSCMZSG-CVEARBPZSA-N 0 0 318.465 3.033 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628983907 401653370 /nfs/dbraw/zinc/65/33/70/401653370.db2.gz MHCBOTWDDHFRLL-NOVWEMISSA-N 0 0 319.832 3.323 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCC[C@H]1CCCOC1 ZINC000624447251 401660993 /nfs/dbraw/zinc/66/09/93/401660993.db2.gz LHTWEDGFGDSYMX-CQSZACIVSA-N 0 0 308.447 3.262 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000624463131 401662708 /nfs/dbraw/zinc/66/27/08/401662708.db2.gz 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ZINC000183716438 164958984 /nfs/dbraw/zinc/95/89/84/164958984.db2.gz SUKIPAJPKQHDKW-LBPRGKRZSA-N 0 0 310.328 3.054 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000185381296 165003075 /nfs/dbraw/zinc/00/30/75/165003075.db2.gz XQUDUIYGKNNHDN-UHFFFAOYSA-N 0 0 319.286 3.118 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000186567632 165050542 /nfs/dbraw/zinc/05/05/42/165050542.db2.gz HTWHRGYAJDDRGR-UHFFFAOYSA-N 0 0 305.312 3.239 10 30 DGEERN CCCCOc1ccc(NCc2cnc3ccc(C#N)cn23)cn1 ZINC000187533006 165092938 /nfs/dbraw/zinc/09/29/38/165092938.db2.gz KRNJUXNKOXQEJK-UHFFFAOYSA-N 0 0 321.384 3.392 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000187613606 165097405 /nfs/dbraw/zinc/09/74/05/165097405.db2.gz FFQCHEFCJWXXLO-UHFFFAOYSA-N 0 0 322.330 3.391 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187756850 165103849 /nfs/dbraw/zinc/10/38/49/165103849.db2.gz NRSWQLPICTUKJU-WBVHZDCISA-N 0 0 307.397 3.038 10 30 DGEERN N#Cc1ccc(Cn2nc(-c3ccccc3F)ccc2=O)cc1F ZINC000187967208 165107262 /nfs/dbraw/zinc/10/72/62/165107262.db2.gz LGWGEKJWWWGYKO-UHFFFAOYSA-N 0 0 323.302 3.108 10 30 DGEERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(C#N)cc1C ZINC000189585985 165167619 /nfs/dbraw/zinc/16/76/19/165167619.db2.gz UMKHNPCYSUXBCF-QGZVFWFLSA-N 0 0 306.365 3.429 10 30 DGEERN Cc1ccc(N2CCC(OCc3ccccc3)CC2)nc1C#N ZINC000189599110 165169846 /nfs/dbraw/zinc/16/98/46/165169846.db2.gz CWEPEJWTNKGYAI-UHFFFAOYSA-N 0 0 307.397 3.447 10 30 DGEERN N#Cc1ccc(CN2CCC(Nc3nccs3)CC2)s1 ZINC000189960333 165184353 /nfs/dbraw/zinc/18/43/53/165184353.db2.gz KIQBLEZDKFKABJ-UHFFFAOYSA-N 0 0 304.444 3.153 10 30 DGEERN CN(C)c1nc(CSCc2ccc(C#N)c(F)c2)ns1 ZINC000191006545 165225519 /nfs/dbraw/zinc/22/55/19/165225519.db2.gz YHQYRSTZTSKCLK-UHFFFAOYSA-N 0 0 308.407 3.048 10 30 DGEERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(C#N)c1 ZINC000192777528 165305965 /nfs/dbraw/zinc/30/59/65/165305965.db2.gz FWJVAUCELAVOFO-UHFFFAOYSA-N 0 0 319.286 3.244 10 30 DGEERN N#Cc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)ccn1 ZINC000192786178 165306550 /nfs/dbraw/zinc/30/65/50/165306550.db2.gz LMAFVPKXRBPOEC-SFHVURJKSA-N 0 0 305.381 3.191 10 30 DGEERN CCCCc1nc2cc(NC(=O)c3ccnc(C#N)c3)ccc2[nH]1 ZINC000192966280 165312644 /nfs/dbraw/zinc/31/26/44/165312644.db2.gz KLEFEMOTMGGMJP-UHFFFAOYSA-N 0 0 319.368 3.424 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)ccn1 ZINC000193132847 165318167 /nfs/dbraw/zinc/31/81/67/165318167.db2.gz PCEMZTSTZMVLRS-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN CCC(CC)(CNC(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000193386047 165324944 /nfs/dbraw/zinc/32/49/44/165324944.db2.gz RRNRBKZDKFFOTC-UHFFFAOYSA-N 0 0 307.397 3.441 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)ccn1 ZINC000193559582 165329473 /nfs/dbraw/zinc/32/94/73/165329473.db2.gz OCQJAVSQKFUALJ-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN N#Cc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171613520 432152854 /nfs/dbraw/zinc/15/28/54/432152854.db2.gz AHCICTUIYICRTN-UHFFFAOYSA-N 0 0 305.381 3.048 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000182108599 432159146 /nfs/dbraw/zinc/15/91/46/432159146.db2.gz NBBQTJFRRZKJLD-FZKQIMNGSA-N 0 0 305.381 3.485 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@H](C)CO2)c1 ZINC000182200963 432164298 /nfs/dbraw/zinc/16/42/98/432164298.db2.gz JPYKCOIQNCEKAQ-RDTXWAMCSA-N 0 0 323.396 3.105 10 30 DGEERN N#CC1(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171738079 432166171 /nfs/dbraw/zinc/16/61/71/432166171.db2.gz RKSYETORMLVFSZ-STQMWFEESA-N 0 0 304.340 3.411 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)N[C@](C)(C#N)CCc2ccccc2)n1 ZINC000171835503 432178106 /nfs/dbraw/zinc/17/81/06/432178106.db2.gz WMVHEYGSIDYWOS-LPHOPBHVSA-N 0 0 324.428 3.092 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CCC1 ZINC000190720053 432184685 /nfs/dbraw/zinc/18/46/85/432184685.db2.gz NQQBBIXHMBTZKS-AWEZNQCLSA-N 0 0 310.401 3.191 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171988732 432189802 /nfs/dbraw/zinc/18/98/02/432189802.db2.gz OVYLKXVEDIMMAO-FUHWJXTLSA-N 0 0 314.429 3.021 10 30 DGEERN Cc1ccc(C)c(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)c1 ZINC000190880978 432196509 /nfs/dbraw/zinc/19/65/09/432196509.db2.gz IHEVAMBBENOTRW-UHFFFAOYSA-N 0 0 317.385 3.429 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CC(=O)N(CC)C1 ZINC000190934396 432203626 /nfs/dbraw/zinc/20/36/26/432203626.db2.gz PKJQQCPMVRPFEO-UHFFFAOYSA-N 0 0 315.417 3.192 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000190968581 432206977 /nfs/dbraw/zinc/20/69/77/432206977.db2.gz YFUWQRAQBAYCHG-IBGZPJMESA-N 0 0 314.429 3.422 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1O ZINC000190992045 432209244 /nfs/dbraw/zinc/20/92/44/432209244.db2.gz RPMRACWGGOMHHY-HNNXBMFYSA-N 0 0 312.756 3.335 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000151019135 432211904 /nfs/dbraw/zinc/21/19/04/432211904.db2.gz IDKCVSZIPQQIFJ-HNNXBMFYSA-N 0 0 322.449 3.271 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000182715636 432220786 /nfs/dbraw/zinc/22/07/86/432220786.db2.gz QHRVVOXJHQSQOR-UHFFFAOYSA-N 0 0 310.744 3.351 10 30 DGEERN Cc1n[nH]c(C)c1CNc1ccc(Br)cc1C#N ZINC000132124587 196228166 /nfs/dbraw/zinc/22/81/66/196228166.db2.gz RLROXDUNHXKCDT-UHFFFAOYSA-N 0 0 305.179 3.273 10 30 DGEERN CCC(C)(C)[C@@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000134124336 196363855 /nfs/dbraw/zinc/36/38/55/196363855.db2.gz IPQOCJHEFGSKME-INIZCTEOSA-N 0 0 300.402 3.364 10 30 DGEERN COc1ccc(CS[C@@H](C)C(=O)NC2CCCC2)cc1C#N ZINC000135322523 196463950 /nfs/dbraw/zinc/46/39/50/196463950.db2.gz SEKXNSNQMAHRNH-LBPRGKRZSA-N 0 0 318.442 3.247 10 30 DGEERN N#CC1(NC(=O)CSc2ccc(N)cc2Cl)CCCCC1 ZINC000037204842 226799332 /nfs/dbraw/zinc/79/93/32/226799332.db2.gz JPKZYRZYWQCBNI-UHFFFAOYSA-N 0 0 323.849 3.357 10 30 DGEERN Cc1cc(F)cc2[nH]c(C(=O)NC3(C#N)CCSCC3)cc21 ZINC000162306867 228257076 /nfs/dbraw/zinc/25/70/76/228257076.db2.gz ZNKVXKUBUGPYFY-UHFFFAOYSA-N 0 0 317.389 3.135 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)COCc1ccccc1 ZINC000162767753 228258608 /nfs/dbraw/zinc/25/86/08/228258608.db2.gz KAKIGUAFPFSPEF-HNNXBMFYSA-N 0 0 322.408 3.449 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000163517423 228262249 /nfs/dbraw/zinc/26/22/49/228262249.db2.gz YVDFFUSQQDLVFQ-HNNXBMFYSA-N 0 0 319.408 3.048 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000176699905 228318861 /nfs/dbraw/zinc/31/88/61/228318861.db2.gz NKOOBGVHKACLDF-UHFFFAOYSA-N 0 0 323.274 3.090 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000178565320 228343073 /nfs/dbraw/zinc/34/30/73/228343073.db2.gz DZNBUSGIVRATEV-UHFFFAOYSA-N 0 0 318.380 3.106 10 30 DGEERN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179821412 228353444 /nfs/dbraw/zinc/35/34/44/228353444.db2.gz ZNRUBSOWJFOEJO-CQSZACIVSA-N 0 0 305.381 3.260 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCCc1ccccn1 ZINC000180047633 228354418 /nfs/dbraw/zinc/35/44/18/228354418.db2.gz QBWBVVUDASFZKR-AWEZNQCLSA-N 0 0 324.384 3.127 10 30 DGEERN CO[C@]1(C)C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1(C)C ZINC000181514271 228362625 /nfs/dbraw/zinc/36/26/25/228362625.db2.gz BWJGXHOUKMVWLC-MAUKXSAKSA-N 0 0 312.413 3.175 10 30 DGEERN C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000181884748 228365195 /nfs/dbraw/zinc/36/51/95/228365195.db2.gz LFVXXAGKEUSBTQ-SMDDNHRTSA-N 0 0 306.369 3.341 10 30 DGEERN C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000182461236 228367444 /nfs/dbraw/zinc/36/74/44/228367444.db2.gz XPHUKXAGKLSZRO-MEDUHNTESA-N 0 0 306.793 3.177 10 30 DGEERN N#CCN(C(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1 ZINC000182479293 228368067 /nfs/dbraw/zinc/36/80/67/228368067.db2.gz IFILDQPKEFEDRD-UHFFFAOYSA-N 0 0 322.290 3.006 10 30 DGEERN N#CCCSc1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000193194873 228564838 /nfs/dbraw/zinc/56/48/38/228564838.db2.gz PEICNIKWWQQCDB-UHFFFAOYSA-N 0 0 308.366 3.211 10 30 DGEERN COc1ccc(C2(C(=O)N[C@H](C)CC#N)CCCCC2)cc1 ZINC000194626087 228595133 /nfs/dbraw/zinc/59/51/33/228595133.db2.gz QESNRQDUEASZIP-CQSZACIVSA-N 0 0 300.402 3.315 10 30 DGEERN C[C@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000297787570 228882867 /nfs/dbraw/zinc/88/28/67/228882867.db2.gz JHUAYJSHMIVENF-GHMZBOCLSA-N 0 0 309.207 3.313 10 30 DGEERN Cc1nc(CN(C)C(=O)Nc2scnc2C2CC2)cs1 ZINC000328931507 228922485 /nfs/dbraw/zinc/92/24/85/228922485.db2.gz ZQIIVXFSCBMNSI-UHFFFAOYSA-N 0 0 308.432 3.463 10 30 DGEERN Cn1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c(C2CCCCC2)n1 ZINC000329520842 228946967 /nfs/dbraw/zinc/94/69/67/228946967.db2.gz OOPRNATZOSKLKT-HOCLYGCPSA-N 0 0 319.449 3.324 10 30 DGEERN N#C[C@]1(C(=O)N2CCO[C@H](C3CCCCC3)C2)CC12CCCC2 ZINC000333668427 229039142 /nfs/dbraw/zinc/03/91/42/229039142.db2.gz IKGOMRUGBFIMMX-LPHOPBHVSA-N 0 0 316.445 3.268 10 30 DGEERN Cc1ccc(F)c(N2CCC[C@@H](Nc3cccc(C#N)n3)C2)c1 ZINC000301287867 229607916 /nfs/dbraw/zinc/60/79/16/229607916.db2.gz RPIFCMMYJGYERW-OAHLLOKOSA-N 0 0 310.376 3.482 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(NCC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000302225080 230180593 /nfs/dbraw/zinc/18/05/93/230180593.db2.gz VBOLQBIBTOPPME-CYBMUJFWSA-N 0 0 322.324 3.004 10 30 DGEERN Cc1ccc(NCCCC(=O)N2CCc3ccccc32)nc1C#N ZINC000302611421 230318134 /nfs/dbraw/zinc/31/81/34/230318134.db2.gz FBAWDRXOVOTRNX-UHFFFAOYSA-N 0 0 320.396 3.043 10 30 DGEERN COc1ccccc1N1CCC[C@H](Nc2ccc(C)c(C#N)n2)C1 ZINC000302677012 230344710 /nfs/dbraw/zinc/34/47/10/230344710.db2.gz UVZJIKQSBOLIPV-HNNXBMFYSA-N 0 0 322.412 3.351 10 30 DGEERN Cc1c(NC(=O)Cc2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000532938600 269905810 /nfs/dbraw/zinc/90/58/10/269905810.db2.gz VZHYPQCICUNROW-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)nc1 ZINC000107437602 269959409 /nfs/dbraw/zinc/95/94/09/269959409.db2.gz NRIVKBQRDRDDFB-QGZVFWFLSA-N 0 0 303.321 3.066 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000186487902 263658419 /nfs/dbraw/zinc/65/84/19/263658419.db2.gz ZYTZTYMMPPOCTB-CHWSQXEVSA-N 0 0 324.384 3.132 10 30 DGEERN COc1ccc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)cc1F ZINC000194719489 263818728 /nfs/dbraw/zinc/81/87/28/263818728.db2.gz VLTCATCDEHQBRM-LBPRGKRZSA-N 0 0 312.344 3.126 10 30 DGEERN C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572478 270004084 /nfs/dbraw/zinc/00/40/84/270004084.db2.gz QBLSEBYPLDJJOQ-GTNSWQLSSA-N 0 0 302.324 3.221 10 30 DGEERN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1cccc(C#N)c1 ZINC000534308762 270005051 /nfs/dbraw/zinc/00/50/51/270005051.db2.gz OHBZBASHTPJZIE-ZDUSSCGKSA-N 0 0 324.355 3.018 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000182802010 432230140 /nfs/dbraw/zinc/23/01/40/432230140.db2.gz IAAGMEYQOSISQT-KOLCDFICSA-N 0 0 317.216 3.291 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(F)(F)F ZINC000362505581 265905628 /nfs/dbraw/zinc/90/56/28/265905628.db2.gz HTVUQUGNFOEKKT-ZDUSSCGKSA-N 0 0 314.307 3.030 10 30 DGEERN C=CCNc1ncc(C(=O)Nc2ccc3c(c2)CCOC3)s1 ZINC000622173027 425115904 /nfs/dbraw/zinc/11/59/04/425115904.db2.gz DEYKAHDNELFWNF-UHFFFAOYSA-N 0 0 315.398 3.066 10 30 DGEERN CCC(=O)Nc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531145843 266990469 /nfs/dbraw/zinc/99/04/69/266990469.db2.gz NDGQARFSZMLPDB-UHFFFAOYSA-N 0 0 307.353 3.088 10 30 DGEERN CCCCCn1nc(C)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000530676846 267004415 /nfs/dbraw/zinc/00/44/15/267004415.db2.gz XGRNKKVRTWVLCP-UHFFFAOYSA-N 0 0 310.401 3.435 10 30 DGEERN COc1ccccc1C[C@H](C)N(C)C(=O)Cc1cccc(C#N)c1 ZINC000531153358 267659705 /nfs/dbraw/zinc/65/97/05/267659705.db2.gz PSFIHXSQWZWWHK-HNNXBMFYSA-N 0 0 322.408 3.199 10 30 DGEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)c2ccc(F)cc2O1 ZINC000530675042 267879186 /nfs/dbraw/zinc/87/91/86/267879186.db2.gz KWDPUZPWVWEPCA-LBPRGKRZSA-N 0 0 310.328 3.054 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000530677184 268276919 /nfs/dbraw/zinc/27/69/19/268276919.db2.gz MVUYCQQYAXAUDJ-LJQANCHMSA-N 0 0 304.393 3.238 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000531384208 268278813 /nfs/dbraw/zinc/27/88/13/268278813.db2.gz OONHKBXRDHSFOK-UHFFFAOYSA-N 0 0 303.321 3.394 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(F)cc2Br)c1 ZINC000357384024 268297137 /nfs/dbraw/zinc/29/71/37/268297137.db2.gz QHOUUAZHPVPVMC-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN C=CCN(Cc1ccc(N(C)C(C)C)nc1)CC(F)(F)F ZINC000191271322 432242450 /nfs/dbraw/zinc/24/24/50/432242450.db2.gz SHMXJBBANJRZDR-UHFFFAOYSA-N 0 0 301.356 3.477 10 30 DGEERN Cc1ccc(CCC(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000247883851 432251867 /nfs/dbraw/zinc/25/18/67/432251867.db2.gz SEXKOEPZXVPKCH-UHFFFAOYSA-N 0 0 307.397 3.265 10 30 DGEERN C=CCOc1ccccc1[C@@H]1NC2(CC2)C(=O)N1c1ccccc1 ZINC000414189390 275433120 /nfs/dbraw/zinc/43/31/20/275433120.db2.gz JRCMXMQTSCZJHH-GOSISDBHSA-N 0 0 320.392 3.419 10 30 DGEERN C=C[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000486469129 275436644 /nfs/dbraw/zinc/43/66/44/275436644.db2.gz MRIIDVFYWSREFP-GFCCVEGCSA-N 0 0 304.346 3.235 10 30 DGEERN C=CCOc1ccccc1CNc1nccn2c1nnc2C(C)C ZINC000489546058 429250610 /nfs/dbraw/zinc/25/06/10/429250610.db2.gz FVOLKCGVUJDGHA-UHFFFAOYSA-N 0 0 323.400 3.425 10 30 DGEERN C#CCCC(=O)N1CCC(n2c(C)nc3ccc(F)cc32)CC1 ZINC000034915308 275715773 /nfs/dbraw/zinc/71/57/73/275715773.db2.gz HDVWMBVPHRUBBS-UHFFFAOYSA-N 0 0 313.376 3.061 10 30 DGEERN CCOc1cc2nnc(C#N)c(Cl)c2cc1Br ZINC000040435147 276371485 /nfs/dbraw/zinc/37/14/85/276371485.db2.gz VMMPMBBITHQHEA-UHFFFAOYSA-N 0 0 312.554 3.316 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000469177909 276875180 /nfs/dbraw/zinc/87/51/80/276875180.db2.gz PMSDIUHGXZSVAP-UKPHBRMFSA-N 0 0 319.376 3.137 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000278489816 276875187 /nfs/dbraw/zinc/87/51/87/276875187.db2.gz LIKXFGHAYYTIQI-IVMMDQJWSA-N 0 0 321.417 3.460 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000278220384 276875724 /nfs/dbraw/zinc/87/57/24/276875724.db2.gz IDSWTCWQJLQFTE-CHWSQXEVSA-N 0 0 315.398 3.125 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCc2sccc2[C@@H]1C ZINC000455437437 276918952 /nfs/dbraw/zinc/91/89/52/276918952.db2.gz TVXOKYHFZJXOAR-YUTCNCBUSA-N 0 0 306.431 3.110 10 30 DGEERN CC(C)(C)[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1O ZINC000408194189 277238016 /nfs/dbraw/zinc/23/80/16/277238016.db2.gz HCOVDRMFMYEVQZ-WBVHZDCISA-N 0 0 313.445 3.065 10 30 DGEERN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2)c2ccccc21 ZINC000120976475 277395221 /nfs/dbraw/zinc/39/52/21/277395221.db2.gz QYZJLWFOOXIRDK-KRWDZBQOSA-N 0 0 306.365 3.225 10 30 DGEERN CO[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1C ZINC000299916581 277666102 /nfs/dbraw/zinc/66/61/02/277666102.db2.gz HLAPZSXZIVRZIR-QMTHXVAHSA-N 0 0 309.207 3.182 10 30 DGEERN C=CCN(c1nnc([C@]2(C)CCCO2)n1CC(=C)C)C1CC1 ZINC000453472356 277855804 /nfs/dbraw/zinc/85/58/04/277855804.db2.gz WVTOVMSGQBTZEF-KRWDZBQOSA-N 0 0 302.422 3.035 10 30 DGEERN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000408437700 277870750 /nfs/dbraw/zinc/87/07/50/277870750.db2.gz XUDOHVNKYBRXEI-OLZOCXBDSA-N 0 0 301.390 3.467 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000455540827 277888139 /nfs/dbraw/zinc/88/81/39/277888139.db2.gz WQEGPRNCYFQSFS-RCCFBDPRSA-N 0 0 316.445 3.197 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cccn(C)c1=O ZINC000276495346 277892084 /nfs/dbraw/zinc/89/20/84/277892084.db2.gz VVERLDFERDOXKZ-UHFFFAOYSA-N 0 0 310.397 3.490 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCC1 ZINC000350624162 277894790 /nfs/dbraw/zinc/89/47/90/277894790.db2.gz ZFAOBTVHLZWRJH-HUUCEWRRSA-N 0 0 318.465 3.371 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000438155020 277917141 /nfs/dbraw/zinc/91/71/41/277917141.db2.gz FOLUWKUQBVANFM-QGZVFWFLSA-N 0 0 309.356 3.078 10 30 DGEERN COc1ccccc1-c1ncnc2c(C#N)c3ccccn3c21 ZINC000009408799 278044574 /nfs/dbraw/zinc/04/45/74/278044574.db2.gz KMJITICFFYWOPI-UHFFFAOYSA-N 0 0 300.321 3.430 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC[C@@]2(CCSC2)C1 ZINC000450898358 278244663 /nfs/dbraw/zinc/24/46/63/278244663.db2.gz CCIZKMZRWOUAOY-QGZVFWFLSA-N 0 0 300.427 3.484 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000189911750 278576059 /nfs/dbraw/zinc/57/60/59/278576059.db2.gz MISHDOFZIILGJY-CZUORRHYSA-N 0 0 300.402 3.482 10 30 DGEERN C=CC1CCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)CC1 ZINC000110369829 431190393 /nfs/dbraw/zinc/19/03/93/431190393.db2.gz MPFHMPZXQSJAOU-UHFFFAOYSA-N 0 0 303.450 3.123 10 30 DGEERN C=CC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000110595280 431192941 /nfs/dbraw/zinc/19/29/41/431192941.db2.gz SMFVUIUEXFLKKC-FNORWQNLSA-N 0 0 316.357 3.183 10 30 DGEERN Cc1cc(N(C)Cc2cccc(C#N)c2)nc(-c2ccncc2)n1 ZINC000068875066 431147806 /nfs/dbraw/zinc/14/78/06/431147806.db2.gz NKBSIHXRDUTFBJ-UHFFFAOYSA-N 0 0 315.380 3.355 10 30 DGEERN Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)C3CC3)cs2)cc1 ZINC000108837662 431156347 /nfs/dbraw/zinc/15/63/47/431156347.db2.gz KCUNZRMXEFJYDD-HNNXBMFYSA-N 0 0 311.410 3.079 10 30 DGEERN N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C#N)C3CC3)c2)cc1 ZINC000108836088 431156929 /nfs/dbraw/zinc/15/69/29/431156929.db2.gz BCKBPGBZIGBMOP-SFHVURJKSA-N 0 0 317.348 3.383 10 30 DGEERN N#C[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C1CC1 ZINC000108832718 431157132 /nfs/dbraw/zinc/15/71/32/431157132.db2.gz SOEJXJNZYQMOER-CYBMUJFWSA-N 0 0 323.274 3.098 10 30 DGEERN N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C1CC1 ZINC000108837333 431157622 /nfs/dbraw/zinc/15/76/22/431157622.db2.gz DONUBYJRPUIAEF-ZDUSSCGKSA-N 0 0 301.733 3.027 10 30 DGEERN N#C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C1CC1 ZINC000108833920 431157759 /nfs/dbraw/zinc/15/77/59/431157759.db2.gz ZYWOVGPZOAZDMH-KRWDZBQOSA-N 0 0 306.365 3.151 10 30 DGEERN N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C#N)C3CC3)c2)cc1 ZINC000108836091 431157778 /nfs/dbraw/zinc/15/77/78/431157778.db2.gz BCKBPGBZIGBMOP-GOSISDBHSA-N 0 0 317.348 3.383 10 30 DGEERN CCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)C2CC2)cc1OC ZINC000108833726 431157828 /nfs/dbraw/zinc/15/78/28/431157828.db2.gz VBAYCTMYDDKHEK-ZDUSSCGKSA-N 0 0 322.792 3.169 10 30 DGEERN N#C[C@H](NC(=O)CCCOc1cccc2ccccc21)C1CC1 ZINC000108830824 431157982 /nfs/dbraw/zinc/15/79/82/431157982.db2.gz HONORWNYYHCUCL-KRWDZBQOSA-N 0 0 308.381 3.417 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)C1CC1 ZINC000108843327 431159361 /nfs/dbraw/zinc/15/93/61/431159361.db2.gz RBMFFFBIWNSCLW-GOSISDBHSA-N 0 0 306.365 3.298 10 30 DGEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)o1 ZINC000003253390 431290741 /nfs/dbraw/zinc/29/07/41/431290741.db2.gz YWUZBXSWVATQJY-VGOFMYFVSA-N 0 0 324.749 3.162 10 30 DGEERN C[C@H]1CC(C)(C)N(C(=O)c2cnn(C)c2C#N)c2ccccc21 ZINC000408348967 279635807 /nfs/dbraw/zinc/63/58/07/279635807.db2.gz FZSHRQFXLDQILX-LBPRGKRZSA-N 0 0 308.385 3.224 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113161834 431332306 /nfs/dbraw/zinc/33/23/06/431332306.db2.gz WWOXBVIZUVHUTC-KRWDZBQOSA-N 0 0 315.348 3.078 10 30 DGEERN O=C(NC1CC(F)(F)C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000330250596 279712822 /nfs/dbraw/zinc/71/28/22/279712822.db2.gz HGGFIDHOEYMAGS-ZCFIWIBFSA-N 0 0 323.265 3.288 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)nc1)c1ccc2c(c1)CCCC2 ZINC000115009624 431420815 /nfs/dbraw/zinc/42/08/15/431420815.db2.gz GLSJWJMVQMHVMM-CYBMUJFWSA-N 0 0 305.381 3.323 10 30 DGEERN N#Cc1c(CN2CCCC[C@@H]2c2cn[nH]c2)cn2ccccc12 ZINC000114202608 431378946 /nfs/dbraw/zinc/37/89/46/431378946.db2.gz GBQDPYIHATYGCQ-QGZVFWFLSA-N 0 0 305.385 3.261 10 30 DGEERN N#Cc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115220567 431440863 /nfs/dbraw/zinc/44/08/63/431440863.db2.gz SDEKMZXYAPQJSD-UHFFFAOYSA-N 0 0 324.355 3.381 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NCCc1ccccc1O ZINC000115516022 431456204 /nfs/dbraw/zinc/45/62/04/431456204.db2.gz LFHNDJVRUZJFJX-UHFFFAOYSA-N 0 0 307.275 3.332 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000116860168 431532848 /nfs/dbraw/zinc/53/28/48/431532848.db2.gz KKGUOXSRSBTZMZ-SWLSCSKDSA-N 0 0 322.836 3.175 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116039443 431481488 /nfs/dbraw/zinc/48/14/88/431481488.db2.gz XCVTVDDIXMYZPW-HIFRSBDPSA-N 0 0 310.353 3.282 10 30 DGEERN N#Cc1ccc(N2CC[C@@H](N3CCC[C@H]3c3ccco3)C2=O)cc1 ZINC000116288027 431498502 /nfs/dbraw/zinc/49/85/02/431498502.db2.gz XGITVPMJQNKGGG-DLBZAZTESA-N 0 0 321.380 3.094 10 30 DGEERN Cc1oc(NC(=O)CN2CCC[C@H]2c2ccco2)c(C#N)c1C ZINC000116289556 431499750 /nfs/dbraw/zinc/49/97/50/431499750.db2.gz JMWXYKWCEKBFLC-AWEZNQCLSA-N 0 0 313.357 3.137 10 30 DGEERN C=CCCCN(C)C(=O)CCc1c(C)nc(SC)nc1C ZINC000076491333 431553734 /nfs/dbraw/zinc/55/37/34/431553734.db2.gz SUJYJCYBKNRFPZ-UHFFFAOYSA-N 0 0 307.463 3.173 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H]3CO3)[C@@H]1CCC2=O ZINC000013649828 431563425 /nfs/dbraw/zinc/56/34/25/431563425.db2.gz JJEROASYJCSDIU-BRMIGGSTSA-N 0 0 314.425 3.466 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000117598242 431568903 /nfs/dbraw/zinc/56/89/03/431568903.db2.gz SMGOFJHNVCHVIA-QGZVFWFLSA-N 0 0 320.392 3.473 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000117598541 431570019 /nfs/dbraw/zinc/57/00/19/431570019.db2.gz PLTCHLLZSJOQCV-KRWDZBQOSA-N 0 0 320.392 3.473 10 30 DGEERN CC(=O)N(C)c1ccccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000118261016 431594858 /nfs/dbraw/zinc/59/48/58/431594858.db2.gz LHBLNLYACORPLH-UHFFFAOYSA-N 0 0 321.380 3.112 10 30 DGEERN CCN(CC)c1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 ZINC000015123927 431602961 /nfs/dbraw/zinc/60/29/61/431602961.db2.gz ZVUMWGZTSDHVSW-UHFFFAOYSA-N 0 0 322.412 3.455 10 30 DGEERN N#Cc1cc(F)ccc1COc1cc(Cl)ccc1C(N)=O ZINC000077566716 431610244 /nfs/dbraw/zinc/61/02/44/431610244.db2.gz AKTLPFPFYXPALC-UHFFFAOYSA-N 0 0 304.708 3.029 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1sc(C)nc1CC(C)C ZINC000119051404 431638876 /nfs/dbraw/zinc/63/88/76/431638876.db2.gz DOANWFOGWFLAKU-UHFFFAOYSA-N 0 0 323.462 3.013 10 30 DGEERN N#CC1(C(=O)N[C@H]2CCc3cc(Br)ccc32)CCC1 ZINC000119252551 431664957 /nfs/dbraw/zinc/66/49/57/431664957.db2.gz PKXQOXHYIZYIOK-ZDUSSCGKSA-N 0 0 319.202 3.246 10 30 DGEERN Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)nn1-c1ccccc1 ZINC000078478959 431672958 /nfs/dbraw/zinc/67/29/58/431672958.db2.gz AOJPRJPZVJGOGZ-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN COc1cccc([C@@H]2CN(Cc3ccc(C#N)cc3)CCO2)c1 ZINC000119312858 431676426 /nfs/dbraw/zinc/67/64/26/431676426.db2.gz PVDNFBSIRJTJFP-IBGZPJMESA-N 0 0 308.381 3.140 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000119450976 431692935 /nfs/dbraw/zinc/69/29/35/431692935.db2.gz JDBXYEAYVXOXFL-OAHLLOKOSA-N 0 0 307.434 3.335 10 30 DGEERN C#CCCCCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000120341952 431728093 /nfs/dbraw/zinc/72/80/93/431728093.db2.gz OXZFRDBTLGHPPG-UHFFFAOYSA-N 0 0 321.367 3.280 10 30 DGEERN C=C[C@@H](CC(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000121865563 431807915 /nfs/dbraw/zinc/80/79/15/431807915.db2.gz WCWCYXXCTKMBGL-INIZCTEOSA-N 0 0 323.392 3.449 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1(C#N)CCCC1 ZINC000122049631 431810907 /nfs/dbraw/zinc/81/09/07/431810907.db2.gz YLPLVRAHFRBZIT-UHFFFAOYSA-N 0 0 316.449 3.041 10 30 DGEERN CC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000033639448 431814104 /nfs/dbraw/zinc/81/41/04/431814104.db2.gz RERIXDWNXBOEON-UHFFFAOYSA-N 0 0 319.744 3.392 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C(=O)NCCOc1ccc(C#N)cc1 ZINC000080468894 431768695 /nfs/dbraw/zinc/76/86/95/431768695.db2.gz PYQBFEWOQISHTK-CQSZACIVSA-N 0 0 321.380 3.098 10 30 DGEERN CC(C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000080499415 431770113 /nfs/dbraw/zinc/77/01/13/431770113.db2.gz GJRZCYOWEXUDDV-LJQANCHMSA-N 0 0 322.408 3.493 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1cccc(C(F)(F)F)c1 ZINC000080942280 431779005 /nfs/dbraw/zinc/77/90/05/431779005.db2.gz DVVVSOFHZNRJIC-JTQLQIEISA-N 0 0 321.302 3.407 10 30 DGEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1OCC(F)F ZINC000081081723 431783133 /nfs/dbraw/zinc/78/31/33/431783133.db2.gz MGRDBTQHRSGYKZ-UHFFFAOYSA-N 0 0 319.311 3.101 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000121423650 431784693 /nfs/dbraw/zinc/78/46/93/431784693.db2.gz BPQSFPVKBUBIIF-FUHWJXTLSA-N 0 0 309.413 3.234 10 30 DGEERN CCn1ccnc1COc1ccc(Br)cc1C#N ZINC000123135678 431856077 /nfs/dbraw/zinc/85/60/77/431856077.db2.gz LBXLHBMIGXSSQK-UHFFFAOYSA-N 0 0 306.163 3.116 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000041480269 431859673 /nfs/dbraw/zinc/85/96/73/431859673.db2.gz MXVNDKLQZSJNPN-KCXAZCMYSA-N 0 0 319.364 3.166 10 30 DGEERN CCOc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1F ZINC000123673080 431871742 /nfs/dbraw/zinc/87/17/42/431871742.db2.gz HBTIHIJQXIIKEN-UHFFFAOYSA-N 0 0 324.359 3.034 10 30 DGEERN C=CCNC(=O)Nc1c(-c2ccccc2OC)n[nH]c1C1CC1 ZINC000034796747 431818944 /nfs/dbraw/zinc/81/89/44/431818944.db2.gz BWKAUHKLJNQGQT-UHFFFAOYSA-N 0 0 312.373 3.270 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1ccc(F)cc1CSC ZINC000124927578 431908615 /nfs/dbraw/zinc/90/86/15/431908615.db2.gz VJDPDPACFJUVPH-LBPRGKRZSA-N 0 0 311.422 3.286 10 30 DGEERN CCCN(CC#N)S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000092367189 431908784 /nfs/dbraw/zinc/90/87/84/431908784.db2.gz FSVPFVSVDHTOIM-UHFFFAOYSA-N 0 0 321.229 3.226 10 30 DGEERN CCc1ccc([C@@H](COC)NC(=O)c2ccc(C#N)cc2C)o1 ZINC000125276148 431919572 /nfs/dbraw/zinc/91/95/72/431919572.db2.gz HWUIZKQSOOKKJH-MRXNPFEDSA-N 0 0 312.369 3.140 10 30 DGEERN CCOC(=O)CC[C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000089854237 431882288 /nfs/dbraw/zinc/88/22/88/431882288.db2.gz PRQBBRBUCVORFV-JTQLQIEISA-N 0 0 323.780 3.065 10 30 DGEERN COc1ccc(Cl)c(NCc2cnc3ccc(C#N)cn23)c1 ZINC000124150269 431884388 /nfs/dbraw/zinc/88/43/88/431884388.db2.gz GGJBUISPUVLAGC-UHFFFAOYSA-N 0 0 312.760 3.480 10 30 DGEERN O=C1CCCC2=C1[C@@H](c1ccccc1)N=C(c1cccnc1)N2 ZINC000045348982 431884523 /nfs/dbraw/zinc/88/45/23/431884523.db2.gz QNBHGUFXYYHYIQ-GOSISDBHSA-N 0 0 303.365 3.180 10 30 DGEERN N#C[C@@H](C(=O)c1scnc1C1CC1)c1nc2ccccc2[nH]1 ZINC000089964421 431887157 /nfs/dbraw/zinc/88/71/57/431887157.db2.gz CVIPIVABQKICGJ-JTQLQIEISA-N 0 0 308.366 3.387 10 30 DGEERN C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000045611601 431887913 /nfs/dbraw/zinc/88/79/13/431887913.db2.gz CBIGOYSQDXGVDR-ZDUSSCGKSA-N 0 0 314.335 3.377 10 30 DGEERN CC(C)COC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000124445379 431894785 /nfs/dbraw/zinc/89/47/85/431894785.db2.gz KFOZQNHRPPDTBR-UHFFFAOYSA-N 0 0 322.355 3.114 10 30 DGEERN CCn1c(C)nnc1CSCCCOc1cccc(C#N)c1 ZINC000091036801 431900152 /nfs/dbraw/zinc/90/01/52/431900152.db2.gz ZVXKCWDNTVBHOJ-UHFFFAOYSA-N 0 0 316.430 3.180 10 30 DGEERN Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)on1 ZINC000091050268 431900241 /nfs/dbraw/zinc/90/02/41/431900241.db2.gz YUJYPXNHUUSTOY-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)C[C@H]2CCCO2)cc1 ZINC000091101536 431903110 /nfs/dbraw/zinc/90/31/10/431903110.db2.gz QSDPOZRKCRIDPO-GOSISDBHSA-N 0 0 320.392 3.411 10 30 DGEERN C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055244414 431978313 /nfs/dbraw/zinc/97/83/13/431978313.db2.gz UVRLHBGKNHOBNA-SNVBAGLBSA-N 0 0 324.833 3.163 10 30 DGEERN C=CCC[C@@H](C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000097375199 431967865 /nfs/dbraw/zinc/96/78/65/431967865.db2.gz IICIIYVCGVSXLN-SNVBAGLBSA-N 0 0 302.827 3.478 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)c3sccc3C#N)C2)n1 ZINC000173585318 432287745 /nfs/dbraw/zinc/28/77/45/432287745.db2.gz RDQNTRVKVWCXTQ-GFCCVEGCSA-N 0 0 317.439 3.405 10 30 DGEERN C[C@@H](C#N)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000248459147 432293683 /nfs/dbraw/zinc/29/36/83/432293683.db2.gz NLAHBARLDSBXPU-WCQYABFASA-N 0 0 316.792 3.481 10 30 DGEERN C[C@@H](c1ccccc1)N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173790036 432300336 /nfs/dbraw/zinc/30/03/36/432300336.db2.gz HQWRMNMKJAIRRM-HNNXBMFYSA-N 0 0 323.396 3.340 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270601744 432264240 /nfs/dbraw/zinc/26/42/40/432264240.db2.gz WTNVQAAWFKTWFW-CQSZACIVSA-N 0 0 313.319 3.381 10 30 DGEERN Cc1nc(C(=O)NCc2ccc(C#N)cc2)c(-c2ccccc2)o1 ZINC000183952295 432338822 /nfs/dbraw/zinc/33/88/22/432338822.db2.gz DLMLAMMAOOVNFB-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000173910549 432307249 /nfs/dbraw/zinc/30/72/49/432307249.db2.gz ZGRHMGCTDOEAEX-AWEZNQCLSA-N 0 0 316.364 3.235 10 30 DGEERN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccnc(C#N)c1 ZINC000192494620 432379580 /nfs/dbraw/zinc/37/95/80/432379580.db2.gz NXFVGRYSTBTGKA-KRWDZBQOSA-N 0 0 308.385 3.049 10 30 DGEERN CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192578896 432388097 /nfs/dbraw/zinc/38/80/97/432388097.db2.gz GSRZOHBSMQUEOY-CYBMUJFWSA-N 0 0 309.369 3.231 10 30 DGEERN C=CCN(C(=O)Nc1nc(CN2CCCCC2)cs1)C1CC1 ZINC000271411976 432390910 /nfs/dbraw/zinc/39/09/10/432390910.db2.gz KLBVWEZFYRPKNH-UHFFFAOYSA-N 0 0 320.462 3.311 10 30 DGEERN C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)O1 ZINC000153245490 432394421 /nfs/dbraw/zinc/39/44/21/432394421.db2.gz AATOIWYBEMWAFR-GXFFZTMASA-N 0 0 304.415 3.395 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000192656559 432396375 /nfs/dbraw/zinc/39/63/75/432396375.db2.gz HMNWBXKLMDVMCI-SCLBCKFNSA-N 0 0 323.352 3.433 10 30 DGEERN Cc1cncc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000184494186 432398536 /nfs/dbraw/zinc/39/85/36/432398536.db2.gz OAECYKHOCSAUTL-CYBMUJFWSA-N 0 0 304.357 3.016 10 30 DGEERN N#CCSCCCN1CC2(CCOCC2)c2ccccc21 ZINC000192289266 432356025 /nfs/dbraw/zinc/35/60/25/432356025.db2.gz UVAMEPPTBFTWDD-UHFFFAOYSA-N 0 0 302.443 3.202 10 30 DGEERN N#Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)ccn1 ZINC000193117270 432450064 /nfs/dbraw/zinc/45/00/64/432450064.db2.gz GNYTYKHQLDVEAH-INIZCTEOSA-N 0 0 305.381 3.363 10 30 DGEERN N#Cc1cc(C(=O)NCc2ccccc2OC2CCCC2)ccn1 ZINC000192780012 432412296 /nfs/dbraw/zinc/41/22/96/432412296.db2.gz MYIPIPYDWZAPFI-UHFFFAOYSA-N 0 0 321.380 3.205 10 30 DGEERN CC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153478123 432413689 /nfs/dbraw/zinc/41/36/89/432413689.db2.gz FOFCAIFPQICGPK-BBRMVZONSA-N 0 0 307.388 3.281 10 30 DGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000175339892 432426502 /nfs/dbraw/zinc/42/65/02/432426502.db2.gz MDRQVFGXCMYEOH-UONOGXRCSA-N 0 0 307.394 3.493 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)ccn1 ZINC000192898558 432427213 /nfs/dbraw/zinc/42/72/13/432427213.db2.gz BWNMWQLHEPNGLW-UHFFFAOYSA-N 0 0 305.381 3.396 10 30 DGEERN N#Cc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)o1 ZINC000193419533 432472726 /nfs/dbraw/zinc/47/27/26/432472726.db2.gz HFZRHPIAYGPSCU-UHFFFAOYSA-N 0 0 312.344 3.385 10 30 DGEERN Cc1nnc([C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)[nH]1 ZINC000154164669 432477998 /nfs/dbraw/zinc/47/79/98/432477998.db2.gz BIRPHNZJDVEHCG-ACJLOTCBSA-N 0 0 317.396 3.425 10 30 DGEERN CC(C)C[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000185295186 432487617 /nfs/dbraw/zinc/48/76/17/432487617.db2.gz HJHIIBNBORYALL-CQSZACIVSA-N 0 0 317.408 3.028 10 30 DGEERN N#Cc1ccc(CCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000193701735 432491112 /nfs/dbraw/zinc/49/11/12/432491112.db2.gz JILGASNYLCYYHZ-AWEZNQCLSA-N 0 0 310.319 3.292 10 30 DGEERN CCc1csc([C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n1 ZINC000176303965 432510799 /nfs/dbraw/zinc/51/07/99/432510799.db2.gz GJMCJPGNNXQHGY-INIZCTEOSA-N 0 0 324.449 3.463 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)NCc1nccn1CC(C)C ZINC000175748437 432459985 /nfs/dbraw/zinc/45/99/85/432459985.db2.gz JVPNNJVUOJTFOF-UHFFFAOYSA-N 0 0 311.389 3.041 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000175788988 432464665 /nfs/dbraw/zinc/46/46/65/432464665.db2.gz XVQQWFGSFRJVRD-WBVHZDCISA-N 0 0 323.400 3.369 10 30 DGEERN C#CCC(C)(C)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000185952117 432548970 /nfs/dbraw/zinc/54/89/70/432548970.db2.gz XPPFGYLSOBQMHC-OAHLLOKOSA-N 0 0 305.805 3.369 10 30 DGEERN C=CCOc1ccccc1CNC(=O)Nc1c(C)onc1CC ZINC000155622918 432563973 /nfs/dbraw/zinc/56/39/73/432563973.db2.gz WOABATKVPFZZJM-UHFFFAOYSA-N 0 0 315.373 3.432 10 30 DGEERN N#Cc1cc(NC(=O)NCCc2cc(F)ccc2F)ccc1F ZINC000176344126 432513765 /nfs/dbraw/zinc/51/37/65/432513765.db2.gz IVETZYZVDUAMOR-UHFFFAOYSA-N 0 0 319.286 3.340 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185925961 432546698 /nfs/dbraw/zinc/54/66/98/432546698.db2.gz HHRNGGYLFKJVRK-XHSDSOJGSA-N 0 0 324.465 3.005 10 30 DGEERN N#Cc1cc(C(=O)N[C@H](c2ccco2)c2ccccc2)ccn1 ZINC000195178391 432611300 /nfs/dbraw/zinc/61/13/00/432611300.db2.gz CUNWMJHPBZTZCZ-KRWDZBQOSA-N 0 0 303.321 3.066 10 30 DGEERN C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000194714598 432570620 /nfs/dbraw/zinc/57/06/20/432570620.db2.gz XRNLXJGEFNAFPD-LLVKDONJSA-N 0 0 300.308 3.256 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000186254849 432574226 /nfs/dbraw/zinc/57/42/26/432574226.db2.gz AUOUFBWQWUYNMW-NSHDSACASA-N 0 0 302.296 3.072 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000273443726 432599468 /nfs/dbraw/zinc/59/94/68/432599468.db2.gz NGQOAAQCKANLIC-GFCCVEGCSA-N 0 0 310.369 3.062 10 30 DGEERN CCN(Cc1nnc(C2CC2)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084644 432600132 /nfs/dbraw/zinc/60/01/32/432600132.db2.gz VSGDAGFFWPLFRG-ZDUSSCGKSA-N 0 0 309.417 3.147 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000186487921 432600775 /nfs/dbraw/zinc/60/07/75/432600775.db2.gz ZYTZTYMMPPOCTB-STQMWFEESA-N 0 0 324.384 3.132 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1c1nccs1 ZINC000195364844 432620726 /nfs/dbraw/zinc/62/07/26/432620726.db2.gz XYAOADNEBFCUNI-AWEZNQCLSA-N 0 0 307.463 3.095 10 30 DGEERN CC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1F ZINC000177420844 432622080 /nfs/dbraw/zinc/62/20/80/432622080.db2.gz BAIKOQKOGMCBMI-AWEZNQCLSA-N 0 0 303.312 3.056 10 30 DGEERN Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000195450612 432623311 /nfs/dbraw/zinc/62/33/11/432623311.db2.gz PINKXQQYPXIZKS-UHFFFAOYSA-N 0 0 320.801 3.345 10 30 DGEERN CCOc1cc(C(=O)NC2(C#N)CCCC2)cc(Cl)c1O ZINC000186784079 432629564 /nfs/dbraw/zinc/62/95/64/432629564.db2.gz OJPDURAHDHHBRR-UHFFFAOYSA-N 0 0 308.765 3.010 10 30 DGEERN COC(=O)c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000186939420 432637972 /nfs/dbraw/zinc/63/79/72/432637972.db2.gz GVEMEARVOBBSCQ-UHFFFAOYSA-N 0 0 320.348 3.015 10 30 DGEERN COc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1OC ZINC000186993804 432641219 /nfs/dbraw/zinc/64/12/19/432641219.db2.gz HBPVUSWOFVYYPA-UHFFFAOYSA-N 0 0 322.364 3.246 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000274274460 432645129 /nfs/dbraw/zinc/64/51/29/432645129.db2.gz CEJVNUSSVHCQCR-LBPRGKRZSA-N 0 0 304.365 3.493 10 30 DGEERN CCc1cc(C(=O)NCc2ccc(C#N)cc2F)oc1CC ZINC000177860934 432668938 /nfs/dbraw/zinc/66/89/38/432668938.db2.gz AIBLRMXBGKMUPE-UHFFFAOYSA-N 0 0 300.333 3.345 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC000274333548 432652978 /nfs/dbraw/zinc/65/29/78/432652978.db2.gz JQNVECNNBKVCSR-DOMZBBRYSA-N 0 0 307.365 3.148 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000274343873 432653879 /nfs/dbraw/zinc/65/38/79/432653879.db2.gz BMQQSCZTCACPOF-MRXNPFEDSA-N 0 0 323.440 3.486 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000274375265 432659116 /nfs/dbraw/zinc/65/91/16/432659116.db2.gz XDFJRYMQYQAXLF-RRFJBIMHSA-N 0 0 317.433 3.236 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177788007 432662308 /nfs/dbraw/zinc/66/23/08/432662308.db2.gz HQJLUGHCZWLHDT-DOMZBBRYSA-N 0 0 306.362 3.143 10 30 DGEERN N#Cc1cccnc1N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000225519789 432692958 /nfs/dbraw/zinc/69/29/58/432692958.db2.gz PXQXPAIATCXMFO-NSHDSACASA-N 0 0 321.306 3.079 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000160107831 432706065 /nfs/dbraw/zinc/70/60/65/432706065.db2.gz RONGSKWCRKMEFJ-QGZVFWFLSA-N 0 0 312.392 3.385 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cccnc1OCCCC ZINC000265522934 432706294 /nfs/dbraw/zinc/70/62/94/432706294.db2.gz AIEMOICWOWOPLN-UHFFFAOYSA-N 0 0 305.422 3.368 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000160107708 432706940 /nfs/dbraw/zinc/70/69/40/432706940.db2.gz RONGSKWCRKMEFJ-KRWDZBQOSA-N 0 0 312.392 3.385 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CNc1cccc(C(C)(F)F)c1 ZINC000187573149 432670396 /nfs/dbraw/zinc/67/03/96/432670396.db2.gz OTTJYRVZZIKORK-LBPRGKRZSA-N 0 0 309.360 3.218 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc4n[nH]cc4c3)CC2)cc1 ZINC000187597873 432673445 /nfs/dbraw/zinc/67/34/45/432673445.db2.gz FHPJPCPWSZFCGV-UHFFFAOYSA-N 0 0 302.337 3.105 10 30 DGEERN C=CCCCCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000274576263 432684125 /nfs/dbraw/zinc/68/41/25/432684125.db2.gz BPQTYDFFVIZCEZ-XJKSGUPXSA-N 0 0 300.402 3.367 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1n[nH]c(C)c1C)c1ccc(F)c(F)c1 ZINC000274607014 432688569 /nfs/dbraw/zinc/68/85/69/432688569.db2.gz GNEJUXMRCAMYOS-CQSZACIVSA-N 0 0 305.328 3.352 10 30 DGEERN N#Cc1nc(NCCSc2ccccc2)ccc1[N+](=O)[O-] ZINC000236420802 432747779 /nfs/dbraw/zinc/74/77/79/432747779.db2.gz NMICJZHANGFMOK-UHFFFAOYSA-N 0 0 300.343 3.066 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000178575530 432754338 /nfs/dbraw/zinc/75/43/38/432754338.db2.gz CDMFLXBEZABFNF-SFHVURJKSA-N 0 0 324.355 3.220 10 30 DGEERN Cc1csc([C@@H]2COCCN2c2cccc(F)c2C#N)n1 ZINC000189134014 432765281 /nfs/dbraw/zinc/76/52/81/432765281.db2.gz JGIFYBUHUGHQNX-AWEZNQCLSA-N 0 0 303.362 3.040 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCCOC3CCCC3)CC2)cc1 ZINC000189141728 432766024 /nfs/dbraw/zinc/76/60/24/432766024.db2.gz PFHMVMZHICLFOG-UHFFFAOYSA-N 0 0 312.413 3.055 10 30 DGEERN N#Cc1ccc2ncc(CNCc3ccc(Cl)cc3F)n2c1 ZINC000189193443 432770540 /nfs/dbraw/zinc/77/05/40/432770540.db2.gz LSAUFKWNWRJYTI-UHFFFAOYSA-N 0 0 314.751 3.288 10 30 DGEERN C=CCCN(C)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000276123952 432774269 /nfs/dbraw/zinc/77/42/69/432774269.db2.gz CADDVSCWWJIZDL-UHFFFAOYSA-N 0 0 305.378 3.077 10 30 DGEERN COc1ccc(CNc2nc(C)ccc2C#N)cc1OC(F)F ZINC000160551631 432727324 /nfs/dbraw/zinc/72/73/24/432727324.db2.gz IMQRXIHLRNXDDM-UHFFFAOYSA-N 0 0 319.311 3.484 10 30 DGEERN Cc1ccc2c(CCNC(=O)NCCCCC#N)cn(C)c2c1 ZINC000188522053 432730700 /nfs/dbraw/zinc/73/07/00/432730700.db2.gz ZBWCKBRVZUEOML-UHFFFAOYSA-N 0 0 312.417 3.022 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2CCOc3c(C)cccc32)CC1 ZINC000188578449 432731773 /nfs/dbraw/zinc/73/17/73/432731773.db2.gz BPYOSWQMINZIQH-INIZCTEOSA-N 0 0 300.402 3.426 10 30 DGEERN C[C@H](C#N)CN(C)c1ncc(Br)cc1C(F)(F)F ZINC000235108802 432743021 /nfs/dbraw/zinc/74/30/21/432743021.db2.gz PSLJXXYMURUSDC-SSDOTTSWSA-N 0 0 322.128 3.459 10 30 DGEERN C=CCn1c(SCc2ccc(OC)nc2)nnc1C1CC1 ZINC000267201439 432821881 /nfs/dbraw/zinc/82/18/81/432821881.db2.gz GAHSSOWPZNUSQT-UHFFFAOYSA-N 0 0 302.403 3.037 10 30 DGEERN N#Cc1ccsc1NC(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000245395205 432827176 /nfs/dbraw/zinc/82/71/76/432827176.db2.gz HJMWGYFTRAJFIL-TZMCWYRMSA-N 0 0 303.431 3.213 10 30 DGEERN C(#Cc1ccccc1)CN1CCSC[C@H]1c1nccs1 ZINC000276923474 432828313 /nfs/dbraw/zinc/82/83/13/432828313.db2.gz HNVCYFSWWDKURJ-HNNXBMFYSA-N 0 0 300.452 3.285 10 30 DGEERN CO[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000189487907 432790891 /nfs/dbraw/zinc/79/08/91/432790891.db2.gz GAIPTYOLMZHXEM-CABCVRRESA-N 0 0 301.390 3.177 10 30 DGEERN CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@H](C#N)C1CC1 ZINC000161769932 432796597 /nfs/dbraw/zinc/79/65/97/432796597.db2.gz YEOFXPZWPKYQPJ-HZPDHXFCSA-N 0 0 302.443 3.363 10 30 DGEERN N#C[C@@H](NC(=O)c1cc2ccccc2cc1OC(F)F)C1CC1 ZINC000161882862 432803347 /nfs/dbraw/zinc/80/33/47/432803347.db2.gz ZVBYAHSUMPQIFY-CQSZACIVSA-N 0 0 316.307 3.473 10 30 DGEERN COCCOc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000162184704 432815675 /nfs/dbraw/zinc/81/56/75/432815675.db2.gz MXWCODONYPBRGJ-UHFFFAOYSA-N 0 0 324.380 3.453 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000277816920 432877108 /nfs/dbraw/zinc/87/71/08/432877108.db2.gz WUBLWTYDUAROAH-GOSISDBHSA-N 0 0 319.408 3.198 10 30 DGEERN CC(C)n1cc2cc(NC(=O)N[C@H]3CCCOC3)ccc2n1 ZINC000329917402 432883075 /nfs/dbraw/zinc/88/30/75/432883075.db2.gz FHCSDIHOEBEQGF-AWEZNQCLSA-N 0 0 302.378 3.122 10 30 DGEERN C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329982583 432886177 /nfs/dbraw/zinc/88/61/77/432886177.db2.gz OYHOSAHEZPNIKG-KBXIAJHMSA-N 0 0 320.412 3.176 10 30 DGEERN CC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CCCO1 ZINC000330044923 432889801 /nfs/dbraw/zinc/88/98/01/432889801.db2.gz HWDZOJYATGIDON-CAOSSQGBSA-N 0 0 304.390 3.073 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC000278398710 432893381 /nfs/dbraw/zinc/89/33/81/432893381.db2.gz OJJMUAAJJNZCEC-ZDUSSCGKSA-N 0 0 310.422 3.006 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000277394054 432845845 /nfs/dbraw/zinc/84/58/45/432845845.db2.gz KLGIVLJMJLHYKD-UHFFFAOYSA-N 0 0 305.381 3.090 10 30 DGEERN N#Cc1ccc2ncc(CN3CCS[C@@H]4CCCC[C@H]43)n2c1 ZINC000245688044 432855952 /nfs/dbraw/zinc/85/59/52/432855952.db2.gz AWSURMLFLRGIDT-HZPDHXFCSA-N 0 0 312.442 3.066 10 30 DGEERN C#Cc1ccc(CNC(=O)NC[C@@H](C)c2ncc(C)s2)cc1 ZINC000296638457 432924071 /nfs/dbraw/zinc/92/40/71/432924071.db2.gz MDOOCQKQKVOOQO-GFCCVEGCSA-N 0 0 313.426 3.036 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279100654 432935110 /nfs/dbraw/zinc/93/51/10/432935110.db2.gz PGBQFWLZHYLKNK-PVAVHDDUSA-N 0 0 315.413 3.494 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(NCC2CC2)nc1 ZINC000279151224 432939943 /nfs/dbraw/zinc/93/99/43/432939943.db2.gz FFORONIYLSUPDN-UHFFFAOYSA-N 0 0 313.323 3.094 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000289353719 432948811 /nfs/dbraw/zinc/94/88/11/432948811.db2.gz LOJXFDZBNNUPJS-AWEZNQCLSA-N 0 0 323.392 3.105 10 30 DGEERN C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273265 432901574 /nfs/dbraw/zinc/90/15/74/432901574.db2.gz YXOKGTWRWOZXRM-NZVBXONLSA-N 0 0 308.809 3.474 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc([C@H]3C[C@H]3C(C)C)n2)c1 ZINC000288999800 432911534 /nfs/dbraw/zinc/91/15/34/432911534.db2.gz SUTSXNNBXRSPFV-GJZGRUSLSA-N 0 0 311.385 3.412 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000278911138 432916915 /nfs/dbraw/zinc/91/69/15/432916915.db2.gz ZYBTVYNXWKXLJA-BRSBDYLESA-N 0 0 315.413 3.004 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000297182920 432969616 /nfs/dbraw/zinc/96/96/16/432969616.db2.gz AXLGRSZFPCEMAO-QGZVFWFLSA-N 0 0 314.429 3.157 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000279850824 432996745 /nfs/dbraw/zinc/99/67/45/432996745.db2.gz TVYIYXWXLFEQKE-DJIMGWMZSA-N 0 0 303.377 3.301 10 30 DGEERN C=CCn1c(C)cc(C(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C ZINC000298244662 433066382 /nfs/dbraw/zinc/06/63/82/433066382.db2.gz JLSWGBDADNLCQH-SJORKVTESA-N 0 0 322.399 3.451 10 30 DGEERN Cc1cc([C@@H]2CCCN2C(=O)NCC2CCC(C#N)CC2)no1 ZINC000373005959 433072920 /nfs/dbraw/zinc/07/29/20/433072920.db2.gz QLLQSKVUYWYZSL-XUJLQICISA-N 0 0 316.405 3.160 10 30 DGEERN N#CC1CCC(CNC(=O)N2CC[C@@H](c3ccco3)C2)CC1 ZINC000373005051 433074126 /nfs/dbraw/zinc/07/41/26/433074126.db2.gz PDQIZWMXFOUCSQ-YMAMQOFZSA-N 0 0 301.390 3.108 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2ccc(C3CC3)cc2F)C1=O ZINC000419943097 433082683 /nfs/dbraw/zinc/08/26/83/433082683.db2.gz PJJDWXOHJKOPDE-OAHLLOKOSA-N 0 0 302.349 3.090 10 30 DGEERN C=CCOc1cccnc1-c1nc(-c2ncsc2Cl)no1 ZINC000361364335 433130387 /nfs/dbraw/zinc/13/03/87/433130387.db2.gz KECRARIOCYIJCP-UHFFFAOYSA-N 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PHLCVFIFHNXIEM-PBHICJAKSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1cccnc1OC ZINC000447356138 433190343 /nfs/dbraw/zinc/19/03/43/433190343.db2.gz BNJPRPCEIRRDLB-UHFFFAOYSA-N 0 0 300.314 3.306 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCOCC2(CC2)C1 ZINC000453451910 433195482 /nfs/dbraw/zinc/19/54/82/433195482.db2.gz KWZRONWAMYUXNI-UHFFFAOYSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453462810 433196824 /nfs/dbraw/zinc/19/68/24/433196824.db2.gz IRRHQMMMOJIRCQ-RVKKMQEKSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000453461309 433198141 /nfs/dbraw/zinc/19/81/41/433198141.db2.gz GGEJCGQQDVZQPV-ILXRZTDVSA-N 0 0 302.422 3.085 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC000290916530 433205682 /nfs/dbraw/zinc/20/56/82/433205682.db2.gz PYZRNHIYSNLSAA-GXSJLCMTSA-N 0 0 303.280 3.009 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000280867595 433206259 /nfs/dbraw/zinc/20/62/59/433206259.db2.gz YPHPXHJOLLDDPL-UHFFFAOYSA-N 0 0 317.433 3.262 10 30 DGEERN C=C(C)[C@H](NCc1cnc(OC)nc1C)c1ccc(F)c(F)c1 ZINC000337202339 433216213 /nfs/dbraw/zinc/21/62/13/433216213.db2.gz GTAVPNWLJYABRC-INIZCTEOSA-N 0 0 319.355 3.479 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccccc1 ZINC000361548541 433240534 /nfs/dbraw/zinc/24/05/34/433240534.db2.gz ZHGUDABNULZTAI-JKSUJKDBSA-N 0 0 302.418 3.249 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000281043394 433257565 /nfs/dbraw/zinc/25/75/65/433257565.db2.gz JHYHKXTWNVCUKB-QGZVFWFLSA-N 0 0 314.429 3.010 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Oc1cc(/C=C\C(=O)OC)ccc1OC ZINC000281150162 433267659 /nfs/dbraw/zinc/26/76/59/433267659.db2.gz XMIMBNFMKUSXQZ-FNOHHLHBSA-N 0 0 318.369 3.389 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000425593443 433313941 /nfs/dbraw/zinc/31/39/41/433313941.db2.gz XTEAGWFVIGXZDE-JQHSSLGASA-N 0 0 314.429 3.433 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CC)CC=C)C1 ZINC000298962681 433284663 /nfs/dbraw/zinc/28/46/63/433284663.db2.gz OLFIRAFEHHIRCU-YYIAUSFCSA-N 0 0 320.477 3.345 10 30 DGEERN C=CCC1(C(=O)Nc2cc(F)c(OC)cc2OC)CCOCC1 ZINC000425527420 433285840 /nfs/dbraw/zinc/28/58/40/433285840.db2.gz ADDDGMUNSJTMQP-UHFFFAOYSA-N 0 0 323.364 3.154 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC=C(c2ccccc2)C1 ZINC000425563545 433302849 /nfs/dbraw/zinc/30/28/49/433302849.db2.gz JFFFOQXWKDTEEU-WMZOPIPTSA-N 0 0 312.413 3.076 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccccc1SC ZINC000425566018 433305726 /nfs/dbraw/zinc/30/57/26/433305726.db2.gz PNAOOCVMCTZUSZ-ZFWWWQNUSA-N 0 0 320.458 3.141 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000425573993 433307144 /nfs/dbraw/zinc/30/71/44/433307144.db2.gz KXQKVPOEQMQHPI-MJBXVCDLSA-N 0 0 306.431 3.186 10 30 DGEERN C=CCCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000448028492 433350086 /nfs/dbraw/zinc/35/00/86/433350086.db2.gz CZBYQPNPWRLFGE-UHFFFAOYSA-N 0 0 321.852 3.133 10 30 DGEERN C=CCCCNC(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000448029326 433352765 /nfs/dbraw/zinc/35/27/65/433352765.db2.gz GTSCIYDRLZWDML-AWEZNQCLSA-N 0 0 304.390 3.174 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000425853381 433362384 /nfs/dbraw/zinc/36/23/84/433362384.db2.gz IWBJLEYMXYPJGM-UGUYLWEFSA-N 0 0 318.417 3.353 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000299426164 433366347 /nfs/dbraw/zinc/36/63/47/433366347.db2.gz WAWRDSSVDZMEEM-UHFFFAOYSA-N 0 0 303.240 3.177 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1cccc(F)c1F ZINC000299578627 433371116 /nfs/dbraw/zinc/37/11/16/433371116.db2.gz XEBAJUCLMHGRNH-UHFFFAOYSA-N 0 0 307.262 3.474 10 30 DGEERN C=CCCCNC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000447954625 433329232 /nfs/dbraw/zinc/32/92/32/433329232.db2.gz MBGJDHGPWHRSQR-HZPDHXFCSA-N 0 0 306.381 3.311 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(COC(C)C)c1 ZINC000425647316 433334535 /nfs/dbraw/zinc/33/45/35/433334535.db2.gz SBJKADPLWLFPTE-RDJZCZTQSA-N 0 0 318.417 3.324 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)n1nc(C)cc1C ZINC000413991024 433341397 /nfs/dbraw/zinc/34/13/97/433341397.db2.gz UOHFTBQNQOXQTB-FUHWJXTLSA-N 0 0 311.429 3.365 10 30 DGEERN C=CCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000447989641 433343304 /nfs/dbraw/zinc/34/33/04/433343304.db2.gz ITLDPZICBLQWBQ-CVEARBPZSA-N 0 0 321.852 3.351 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375200086 433386161 /nfs/dbraw/zinc/38/61/61/433386161.db2.gz KQXSOLSIXSUIRW-UHFFFAOYSA-N 0 0 320.383 3.053 10 30 DGEERN C=C(C)COc1cccc(N2C(=O)[C@H](CC(C)C)N(C)C2=O)c1 ZINC000291955630 433405459 /nfs/dbraw/zinc/40/54/59/433405459.db2.gz QYGFCRMWCYDMSI-INIZCTEOSA-N 0 0 316.401 3.455 10 30 DGEERN C=CCOc1cccc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)c1 ZINC000414190627 433448548 /nfs/dbraw/zinc/44/85/48/433448548.db2.gz KQTDWEQZYWCIDZ-GOSISDBHSA-N 0 0 320.392 3.419 10 30 DGEERN C=CCOc1cccc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)c1 ZINC000414190632 433449651 /nfs/dbraw/zinc/44/96/51/433449651.db2.gz KQTDWEQZYWCIDZ-SFHVURJKSA-N 0 0 320.392 3.419 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000426259442 433452592 /nfs/dbraw/zinc/45/25/92/433452592.db2.gz ZLVXAGRUBQMXGN-CHWSQXEVSA-N 0 0 303.362 3.406 10 30 DGEERN N#Cc1cc(NC[C@H](O)c2ccc(F)cc2)c2ccccc2n1 ZINC000301377639 433530340 /nfs/dbraw/zinc/53/03/40/433530340.db2.gz YHTPUZVUHAETFT-SFHVURJKSA-N 0 0 307.328 3.391 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000282217307 433530941 /nfs/dbraw/zinc/53/09/41/433530941.db2.gz SFXLBXPUMIAFEF-ZBFHGGJFSA-N 0 0 300.402 3.207 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1c(CC)cc(C)cc1CC ZINC000362122881 433533146 /nfs/dbraw/zinc/53/31/46/433533146.db2.gz BJEAHNMJAOGUBU-UHFFFAOYSA-N 0 0 302.418 3.141 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000282217304 433533192 /nfs/dbraw/zinc/53/31/92/433533192.db2.gz SFXLBXPUMIAFEF-HOCLYGCPSA-N 0 0 300.402 3.207 10 30 DGEERN C=CCNC(=O)c1ccc(N2CCC[C@@H]2CC(C)(C)C)nc1 ZINC000301396634 433533749 /nfs/dbraw/zinc/53/37/49/433533749.db2.gz GJOCNXKKFNTRGJ-OAHLLOKOSA-N 0 0 301.434 3.402 10 30 DGEERN C=CCOCC(=O)Nc1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000362125626 433539067 /nfs/dbraw/zinc/53/90/67/433539067.db2.gz XIMUVIYLQVJUDF-UHFFFAOYSA-N 0 0 316.788 3.329 10 30 DGEERN CC(C)C(=O)N1CCC(Nc2cc(C#N)nc3ccccc32)CC1 ZINC000301330457 433509557 /nfs/dbraw/zinc/50/95/57/433509557.db2.gz DIKPJBOCBYHRIC-UHFFFAOYSA-N 0 0 322.412 3.165 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000448798297 433555676 /nfs/dbraw/zinc/55/56/76/433555676.db2.gz SHLSIZGJROHJNP-RTBURBONSA-N 0 0 307.393 3.466 10 30 DGEERN C=C[C@](C)(O)CC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000355995695 433561911 /nfs/dbraw/zinc/56/19/11/433561911.db2.gz UTCJOEKWNAZNIF-HNNXBMFYSA-N 0 0 315.335 3.295 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSC1CC1 ZINC000448818667 433564496 /nfs/dbraw/zinc/56/44/96/433564496.db2.gz OCFZZKIYCYMDJM-UHFFFAOYSA-N 0 0 306.387 3.005 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000282314682 433564768 /nfs/dbraw/zinc/56/47/68/433564768.db2.gz PTLHWYXIAWNNME-GFCCVEGCSA-N 0 0 314.355 3.195 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000426714241 433568101 /nfs/dbraw/zinc/56/81/01/433568101.db2.gz CBASQYFSDIZLCJ-FVQHAEBGSA-N 0 0 300.402 3.191 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC[C@@H]1COC)c1ccc(F)c(F)c1 ZINC000292471774 433568941 /nfs/dbraw/zinc/56/89/41/433568941.db2.gz CLYWOOGKJZHHEO-IUODEOHRSA-N 0 0 310.344 3.012 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC23CC3)cc1 ZINC000421443416 433571737 /nfs/dbraw/zinc/57/17/37/433571737.db2.gz ISODLCNAVSTPAH-MRXNPFEDSA-N 0 0 310.397 3.239 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2cccn2)c(C)c1 ZINC000421449218 433574088 /nfs/dbraw/zinc/57/40/88/433574088.db2.gz VWUFSZHKEQFNFO-UHFFFAOYSA-N 0 0 323.318 3.371 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1 ZINC000426726542 433575379 /nfs/dbraw/zinc/57/53/79/433575379.db2.gz KIVLPUQTQOOLMF-SJLPKXTDSA-N 0 0 303.402 3.375 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000448844796 433577572 /nfs/dbraw/zinc/57/75/72/433577572.db2.gz KPSSAEVWGZOSDA-MRXNPFEDSA-N 0 0 307.397 3.134 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000448844318 433580097 /nfs/dbraw/zinc/58/00/97/433580097.db2.gz AHIHJSWRQNUSTQ-DYVFJYSZSA-N 0 0 306.381 3.175 10 30 DGEERN CSCCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000160977542 292825253 /nfs/dbraw/zinc/82/52/53/292825253.db2.gz ZJZMHQRBPAEHFV-UHFFFAOYSA-N 0 0 303.412 3.373 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000362146541 433545778 /nfs/dbraw/zinc/54/57/78/433545778.db2.gz MYKWLOJYGRFFMV-HIFRSBDPSA-N 0 0 300.406 3.145 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000362146543 433546320 /nfs/dbraw/zinc/54/63/20/433546320.db2.gz MYKWLOJYGRFFMV-ZFWWWQNUSA-N 0 0 300.406 3.145 10 30 DGEERN C=C(C)COc1cc(CN2CC[C@]23CCOC3)ccc1OC ZINC000421400108 433548342 /nfs/dbraw/zinc/54/83/42/433548342.db2.gz RJFMSEGBXUQRRA-GOSISDBHSA-N 0 0 303.402 3.015 10 30 DGEERN C=CCn1c(CSc2ccccc2OC)nnc1N(C)CC ZINC000282267887 433548422 /nfs/dbraw/zinc/54/84/22/433548422.db2.gz LYMHTSVYWGKEEP-UHFFFAOYSA-N 0 0 318.446 3.221 10 30 DGEERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(C#N)cc2)c1 ZINC000301595120 433631054 /nfs/dbraw/zinc/63/10/54/433631054.db2.gz VLDWZYZEDCDXNJ-UHFFFAOYSA-N 0 0 301.277 3.226 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000292849312 433603009 /nfs/dbraw/zinc/60/30/09/433603009.db2.gz QIIWOUWODYELCW-HOTGVXAUSA-N 0 0 322.399 3.429 10 30 DGEERN C=CCN(C(=O)c1cc(Br)cc2nc[nH]c21)C1CC1 ZINC000282659033 433623097 /nfs/dbraw/zinc/62/30/97/433623097.db2.gz GQLQECREBWSYCV-UHFFFAOYSA-N 0 0 320.190 3.116 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000362341736 433656392 /nfs/dbraw/zinc/65/63/92/433656392.db2.gz JAEAZGOYQVKPTJ-JKSUJKDBSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCOCCCC(=O)N1CCc2c1cccc2Br ZINC000421654971 433662917 /nfs/dbraw/zinc/66/29/17/433662917.db2.gz FGAKZUJTVKALFT-UHFFFAOYSA-N 0 0 324.218 3.321 10 30 DGEERN CC[C@](C)(C#N)C(=O)N1CCc2c1cccc2Br ZINC000421659906 433665361 /nfs/dbraw/zinc/66/53/61/433665361.db2.gz ZBNUABUJULYJSD-CQSZACIVSA-N 0 0 307.191 3.278 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414508900 433675140 /nfs/dbraw/zinc/67/51/40/433675140.db2.gz AFMNAMNFFWFMFV-HNNXBMFYSA-N 0 0 318.465 3.058 10 30 DGEERN C=CCC1(CNC(=O)c2cc(=O)c3ccccc3[nH]2)CCCC1 ZINC000456488958 433688948 /nfs/dbraw/zinc/68/89/48/433688948.db2.gz STXGWRMSIUMEPN-UHFFFAOYSA-N 0 0 310.397 3.394 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000293294306 433689629 /nfs/dbraw/zinc/68/96/29/433689629.db2.gz DMBQIINHPRJSBM-WFASDCNBSA-N 0 0 308.447 3.358 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N(C)Cc1ccccn1 ZINC000283458908 433728202 /nfs/dbraw/zinc/72/82/02/433728202.db2.gz IZAHRTVFGQLXRE-UHFFFAOYSA-N 0 0 323.400 3.372 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC000283425780 433723439 /nfs/dbraw/zinc/72/34/39/433723439.db2.gz XXYPQIRMQHVDCW-GJZGRUSLSA-N 0 0 312.417 3.135 10 30 DGEERN CC(=O)N(C)Cc1cccc(Nc2cc(C)nc(C)c2C#N)c1 ZINC000301789874 433724248 /nfs/dbraw/zinc/72/42/48/433724248.db2.gz QHJWIXJUSLPJMO-UHFFFAOYSA-N 0 0 308.385 3.292 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339783991 433780501 /nfs/dbraw/zinc/78/05/01/433780501.db2.gz SUFGGZMIEORIQR-QZTJIDSGSA-N 0 0 314.335 3.144 10 30 DGEERN COc1ccc(CCC2CCN(c3ccc(C#N)nn3)CC2)cc1 ZINC000301945755 433804172 /nfs/dbraw/zinc/80/41/72/433804172.db2.gz XFOZIUDTFFHFMU-UHFFFAOYSA-N 0 0 322.412 3.206 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CCCC1 ZINC000449795518 433809877 /nfs/dbraw/zinc/80/98/77/433809877.db2.gz PSIHJDMYLSJDAW-UHFFFAOYSA-N 0 0 300.358 3.093 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000343494678 433811891 /nfs/dbraw/zinc/81/18/91/433811891.db2.gz BVAMPQBNIVGXBI-AWEZNQCLSA-N 0 0 305.422 3.616 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000456772474 433816811 /nfs/dbraw/zinc/81/68/11/433816811.db2.gz WWNBSAXGPDNNGM-SNVBAGLBSA-N 0 0 319.298 3.210 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000376935278 433842193 /nfs/dbraw/zinc/84/21/93/433842193.db2.gz YPWPCYFOIFCWSZ-INIZCTEOSA-N 0 0 313.372 3.207 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000377054191 433847242 /nfs/dbraw/zinc/84/72/42/433847242.db2.gz YRASRKYMDPOZFZ-UHFFFAOYSA-N 0 0 303.365 3.053 10 30 DGEERN CC(=Cc1nc(C#N)cs1)c1nc(=O)c2ccsc2[nH]1 ZINC000357075832 433857409 /nfs/dbraw/zinc/85/74/09/433857409.db2.gz ONNDQOGLWNMTBB-DAXSKMNVSA-N 0 0 300.368 3.286 10 30 DGEERN N#Cc1nc(NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000302783542 433859890 /nfs/dbraw/zinc/85/98/90/433859890.db2.gz UCQNAGVKFOZHFN-UHFFFAOYSA-N 0 0 322.246 3.492 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000377380490 433866730 /nfs/dbraw/zinc/86/67/30/433866730.db2.gz SYDOMUYIHJQORN-CQSZACIVSA-N 0 0 316.401 3.314 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@H]1c1nn(C)c(C)c1Cl ZINC000422080311 433870483 /nfs/dbraw/zinc/87/04/83/433870483.db2.gz AWVWEGFKYNPVJW-OAHLLOKOSA-N 0 0 316.792 3.134 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@@H]1c1nn(C)c(C)c1Cl ZINC000422080276 433871680 /nfs/dbraw/zinc/87/16/80/433871680.db2.gz AWVWEGFKYNPVJW-HNNXBMFYSA-N 0 0 316.792 3.134 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000422230545 433904548 /nfs/dbraw/zinc/90/45/48/433904548.db2.gz CUKDLJOLNQXTLD-HZPDHXFCSA-N 0 0 320.408 3.481 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCO)Cc1cccc(OCC)c1 ZINC000456973727 433914282 /nfs/dbraw/zinc/91/42/82/433914282.db2.gz ZNAUTIIGBCSLKX-OAHLLOKOSA-N 0 0 305.418 3.009 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCN[C@H](c3ccccc3)C2)cc1 ZINC000457000509 433925551 /nfs/dbraw/zinc/92/55/51/433925551.db2.gz UUPZPBNYMNGIRI-IBGZPJMESA-N 0 0 322.408 3.038 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(CS(=O)(=O)CC)cc1 ZINC000457010489 433932338 /nfs/dbraw/zinc/93/23/38/433932338.db2.gz GLMAFVLYUFQTHA-ZDUSSCGKSA-N 0 0 309.431 3.162 10 30 DGEERN C=CC[C@H]1N(C(=O)CO[C@H](C)c2nccn2C)CCCC1(C)C ZINC000357347428 433964724 /nfs/dbraw/zinc/96/47/24/433964724.db2.gz ODZAONQBTGNAOJ-HUUCEWRRSA-N 0 0 319.449 3.091 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000294092448 433992118 /nfs/dbraw/zinc/99/21/18/433992118.db2.gz CXJYHIAJRHFHOT-LLVKDONJSA-N 0 0 300.324 3.361 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000450040350 433940362 /nfs/dbraw/zinc/94/03/62/433940362.db2.gz OQLFFCYNQMUIQZ-SQNIBIBYSA-N 0 0 319.420 3.442 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCC1CCOCC1 ZINC000285592127 434001651 /nfs/dbraw/zinc/00/16/51/434001651.db2.gz BHIVXNISRCALLN-IBGZPJMESA-N 0 0 313.441 3.334 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CCc1nc(-c2ccccc2)no1 ZINC000285765057 434063829 /nfs/dbraw/zinc/06/38/29/434063829.db2.gz KTNNQAMLPQBQGB-CQSZACIVSA-N 0 0 313.401 3.340 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000450274202 434071198 /nfs/dbraw/zinc/07/11/98/434071198.db2.gz GFHOBGLKGGGXPV-HXUWFJFHSA-N 0 0 322.408 3.456 10 30 DGEERN C=CCN(Cc1cn(CC2CC2)nn1)Cc1ccccc1F ZINC000450286848 434081682 /nfs/dbraw/zinc/08/16/82/434081682.db2.gz ONMSUHMRFAZZPF-UHFFFAOYSA-N 0 0 300.381 3.015 10 30 DGEERN C=CC[C@H](CC)N1C(=O)[C@H](Cc2ccccc2)N(C2CC2)C1=O ZINC000285835978 434083612 /nfs/dbraw/zinc/08/36/12/434083612.db2.gz BKMIGNHWFFWMKU-RDJZCZTQSA-N 0 0 312.413 3.379 10 30 DGEERN C=C(C)CN(CC)C(=O)Cc1sccc1Br ZINC000294427195 434112889 /nfs/dbraw/zinc/11/28/89/434112889.db2.gz QEHURAJHXOVOTK-UHFFFAOYSA-N 0 0 302.237 3.478 10 30 DGEERN CN(C[C@H]1CCCO1)c1cc(Br)c(C#N)cc1F ZINC000310758498 434114317 /nfs/dbraw/zinc/11/43/17/434114317.db2.gz XWRKOPFQIYXNIP-SNVBAGLBSA-N 0 0 313.170 3.075 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(OC)cc1 ZINC000285943346 434116425 /nfs/dbraw/zinc/11/64/25/434116425.db2.gz UZMPYSSSNXZZKV-LJQANCHMSA-N 0 0 321.420 3.379 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000285957465 434117788 /nfs/dbraw/zinc/11/77/88/434117788.db2.gz VSRJQQJURJTOOL-IPMKNSEASA-N 0 0 313.441 3.333 10 30 DGEERN Cc1nc(CNc2ncc(Br)cc2C#N)sc1C ZINC000450367438 434130537 /nfs/dbraw/zinc/13/05/37/434130537.db2.gz YLZNKQCKDAGVAD-UHFFFAOYSA-N 0 0 323.219 3.401 10 30 DGEERN N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450365118 434131516 /nfs/dbraw/zinc/13/15/16/434131516.db2.gz PETMVGCRUMRTEF-CVEARBPZSA-N 0 0 308.341 3.266 10 30 DGEERN N#Cc1c(Cl)cccc1N1CCN(c2ccc(F)cn2)CC1 ZINC000450420528 434165776 /nfs/dbraw/zinc/16/57/76/434165776.db2.gz KGJSSHROHWUECA-UHFFFAOYSA-N 0 0 316.767 3.072 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C/C=C/c1cccc(F)c1 ZINC000437471737 434268584 /nfs/dbraw/zinc/26/85/84/434268584.db2.gz WXTWUXZNROAHBJ-VVEVLUTRSA-N 0 0 303.377 3.326 10 30 DGEERN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000450566315 434270275 /nfs/dbraw/zinc/27/02/75/434270275.db2.gz VHKIBHXTFUNMPR-RYUDHWBXSA-N 0 0 311.360 3.184 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC000437485933 434271277 /nfs/dbraw/zinc/27/12/77/434271277.db2.gz ZYVCIPPWYJIXBI-NVXWUHKLSA-N 0 0 303.402 3.105 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000437493126 434272591 /nfs/dbraw/zinc/27/25/91/434272591.db2.gz SEUBVLWMEYXBIO-MDRZDLKXSA-N 0 0 321.367 3.166 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1ccsc1 ZINC000328611473 434286412 /nfs/dbraw/zinc/28/64/12/434286412.db2.gz LTJUGYZXACITLX-JSGCOSHPSA-N 0 0 305.403 3.464 10 30 DGEERN CC(=O)Nc1ccn([C@@H]2CCN(c3nc4ccccc4o3)C2)n1 ZINC000328614613 434287712 /nfs/dbraw/zinc/28/77/12/434287712.db2.gz WIVKXTRAFWUPBE-GFCCVEGCSA-N 0 0 311.345 3.084 10 30 DGEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000328618043 434292251 /nfs/dbraw/zinc/29/22/51/434292251.db2.gz DHQVQJSOPOGTFS-FZKCQIBNSA-N 0 0 311.385 3.010 10 30 DGEERN C[C@@H](Cc1cccs1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328621505 434292806 /nfs/dbraw/zinc/29/28/06/434292806.db2.gz HTLJPMBATBRIRK-NJZAAPMLSA-N 0 0 319.430 3.147 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)CCc2ccco2)cn1 ZINC000328627783 434293659 /nfs/dbraw/zinc/29/36/59/434293659.db2.gz NCMKRUSLAPLUOS-DOTOQJQBSA-N 0 0 317.389 3.305 10 30 DGEERN N#Cc1cc(F)c(NCC2(CCO)CC2)cc1Br ZINC000384940577 434295644 /nfs/dbraw/zinc/29/56/44/434295644.db2.gz CFBXRWNJNLOJFR-UHFFFAOYSA-N 0 0 313.170 3.034 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(CCC)nn1C ZINC000287254974 434313654 /nfs/dbraw/zinc/31/36/54/434313654.db2.gz XMXNDHULFNGLIE-MRXNPFEDSA-N 0 0 324.428 3.129 10 30 DGEERN CCC[C@]1(C)CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000437710232 434322525 /nfs/dbraw/zinc/32/25/25/434322525.db2.gz UDWYAUFMEPOHRI-MRXNPFEDSA-N 0 0 324.421 3.288 10 30 DGEERN C[C@@H]1CCC[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000328896988 434325309 /nfs/dbraw/zinc/32/53/09/434325309.db2.gz VZBHMJDDTBIIJI-FIRUKDTASA-N 0 0 307.438 3.308 10 30 DGEERN C[C@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)c1ccsc1 ZINC000328927685 434327998 /nfs/dbraw/zinc/32/79/98/434327998.db2.gz FZYRFRZCSZNUJP-SLEUVZQESA-N 0 0 319.430 3.319 10 30 DGEERN C[C@H]1c2ccsc2CCN1C(=O)NCc1noc(C2CC2)n1 ZINC000328911658 434330656 /nfs/dbraw/zinc/33/06/56/434330656.db2.gz GOXKYNXYZLPENQ-VIFPVBQESA-N 0 0 318.402 3.042 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C/C=C\c1ccc(F)cc1 ZINC000437523671 434276920 /nfs/dbraw/zinc/27/69/20/434276920.db2.gz KXKONXQTCZOKHU-VDTRDMOZSA-N 0 0 303.377 3.326 10 30 DGEERN COC1(C(=O)Nc2cnc3c(Br)cccn23)CCC1 ZINC000329173334 434370327 /nfs/dbraw/zinc/37/03/27/434370327.db2.gz LJPPHSXQWIELIA-UHFFFAOYSA-N 0 0 324.178 3.254 10 30 DGEERN C=CC[C@H](CC)NC(=O)NC1(c2noc(C(F)F)n2)CCC1 ZINC000366173990 434350231 /nfs/dbraw/zinc/35/02/31/434350231.db2.gz VTOCZMWLQSVFFE-VIFPVBQESA-N 0 0 314.336 3.040 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CC1CCOCC1)C2 ZINC000329617666 434443154 /nfs/dbraw/zinc/44/31/54/434443154.db2.gz DSUWLDZLOGYRHP-CQSZACIVSA-N 0 0 319.449 3.269 10 30 DGEERN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000358573112 434400364 /nfs/dbraw/zinc/40/03/64/434400364.db2.gz QSBKSUWVGLVJGY-MGPLVRAMSA-N 0 0 320.314 3.360 10 30 DGEERN C[C@H]1CC[C@H](NC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000329407648 434405941 /nfs/dbraw/zinc/40/59/41/434405941.db2.gz DAVLFGPPYIZHGD-BETUJISGSA-N 0 0 305.426 3.688 10 30 DGEERN CC(=O)N1CCC(NC(=O)Nc2csc3ccccc23)CC1 ZINC000329408479 434406648 /nfs/dbraw/zinc/40/66/48/434406648.db2.gz CMEDSMWHJHXBSI-UHFFFAOYSA-N 0 0 317.414 3.238 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2)CC1 ZINC000180408071 294797197 /nfs/dbraw/zinc/79/71/97/294797197.db2.gz MCGOMZFPDPBWHZ-QGZVFWFLSA-N 0 0 320.396 3.332 10 30 DGEERN O=C(Nc1csc(-c2ccccn2)n1)N1C[C@@H]2CCC[C@@H]21 ZINC000329455097 434411889 /nfs/dbraw/zinc/41/18/89/434411889.db2.gz PQUFYZYCWXINSN-JQWIXIFHSA-N 0 0 300.387 3.235 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000329556396 434433390 /nfs/dbraw/zinc/43/33/90/434433390.db2.gz KVGUVGOPHNYFFR-LCXNZCCVSA-N 0 0 314.429 3.381 10 30 DGEERN O=C(NC1CCN(c2ccccn2)CC1)c1cccnc1C1CC1 ZINC000329673454 434459313 /nfs/dbraw/zinc/45/93/13/434459313.db2.gz UYALBDLCOAJSPR-UHFFFAOYSA-N 0 0 322.412 3.328 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1sc(C)cc1Br ZINC000417607045 434461301 /nfs/dbraw/zinc/46/13/01/434461301.db2.gz FUJZKHZPOAOONU-SECBINFHSA-N 0 0 318.236 3.328 10 30 DGEERN Cc1csc([C@@H]2CCCN(C([O-])=[NH+]c3c(C)noc3C)C2)n1 ZINC000329742593 434472275 /nfs/dbraw/zinc/47/22/75/434472275.db2.gz PNSVXMVUBDSMOH-GFCCVEGCSA-N 0 0 320.418 3.481 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000417626220 434476170 /nfs/dbraw/zinc/47/61/70/434476170.db2.gz NRXUVTSLQUTTFT-AWEZNQCLSA-N 0 0 304.777 3.397 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)cc1Br ZINC000417634935 434479888 /nfs/dbraw/zinc/47/98/88/434479888.db2.gz ZJHSEUSFJURCIW-LLVKDONJSA-N 0 0 316.170 3.097 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000329910868 434502036 /nfs/dbraw/zinc/50/20/36/434502036.db2.gz WCPPYPCDFYCAEZ-RBSFLKMASA-N 0 0 303.406 3.007 10 30 DGEERN Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)Cn1cncn1 ZINC000329630901 434449153 /nfs/dbraw/zinc/44/91/53/434449153.db2.gz RCRQPHACJAUZDA-SNVBAGLBSA-N 0 0 319.434 3.094 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000417603774 434456907 /nfs/dbraw/zinc/45/69/07/434456907.db2.gz AIMMUAITKRUFAR-CQSZACIVSA-N 0 0 319.792 3.239 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1nscc1Br ZINC000404753971 434519146 /nfs/dbraw/zinc/51/91/46/434519146.db2.gz ZAAGWVYYEVBKKJ-QMMMGPOBSA-N 0 0 303.225 3.380 10 30 DGEERN C=CCOc1ccc(CNCc2noc(C3CC3)n2)cc1Cl ZINC000438861009 434538019 /nfs/dbraw/zinc/53/80/19/434538019.db2.gz SXJNUTJTRAEDMU-UHFFFAOYSA-N 0 0 319.792 3.455 10 30 DGEERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 ZINC000408057576 434538317 /nfs/dbraw/zinc/53/83/17/434538317.db2.gz WLLUPLZEJZJFBR-KEYYUXOJSA-N 0 0 318.442 3.166 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H]1CCCc2nc(C)sc21)OCC ZINC000367880746 434559470 /nfs/dbraw/zinc/55/94/70/434559470.db2.gz VQORXNYOHRUUJH-UONOGXRCSA-N 0 0 308.447 3.316 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000408330031 434563781 /nfs/dbraw/zinc/56/37/81/434563781.db2.gz LHPUNNKTAHMZIS-BLLLJJGKSA-N 0 0 307.397 3.469 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CCCCC[C@@H]1c1noc(C)n1 ZINC000368249336 434570857 /nfs/dbraw/zinc/57/08/57/434570857.db2.gz JUOPUYDQNGEOLX-QGZVFWFLSA-N 0 0 323.396 3.046 10 30 DGEERN C=C(C)CN(CC)C(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000368630209 434580069 /nfs/dbraw/zinc/58/00/69/434580069.db2.gz CXEBEVUPXIAXID-ZDUSSCGKSA-N 0 0 308.447 3.384 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000369485824 434596468 /nfs/dbraw/zinc/59/64/68/434596468.db2.gz KRAWTDPEZJWAQM-CQSZACIVSA-N 0 0 324.808 3.303 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452485547 434625295 /nfs/dbraw/zinc/62/52/95/434625295.db2.gz PNFHLSKEHRKWMW-MJGOQNOKSA-N 0 0 317.404 3.081 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C2CC2)C1 ZINC000424130252 434631248 /nfs/dbraw/zinc/63/12/48/434631248.db2.gz USPCQJPQECQBIJ-KGLIPLIRSA-N 0 0 304.463 3.269 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000439411606 434600832 /nfs/dbraw/zinc/60/08/32/434600832.db2.gz UATIIYPVGORODU-GFCCVEGCSA-N 0 0 322.405 3.497 10 30 DGEERN C#CC[C@@H](C)NC(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000370046098 434606328 /nfs/dbraw/zinc/60/63/28/434606328.db2.gz PRPQIXUOTTURQO-CQSZACIVSA-N 0 0 308.381 3.426 10 30 DGEERN C=CCOc1cccnc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000360796727 434697299 /nfs/dbraw/zinc/69/72/99/434697299.db2.gz MIDOQEPHCJGZAF-UHFFFAOYSA-N 0 0 308.381 3.454 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000424235766 434663009 /nfs/dbraw/zinc/66/30/09/434663009.db2.gz FDGNCDSYNUPQOL-HZSPNIEDSA-N 0 0 322.478 3.036 10 30 DGEERN C=CCSCCN1C(=O)[C@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000349304312 434665417 /nfs/dbraw/zinc/66/54/17/434665417.db2.gz YTSUYRZPKORSKQ-LSDHHAIUSA-N 0 0 322.474 3.139 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)C[C@@H](C)C#N ZINC000424257793 434668530 /nfs/dbraw/zinc/66/85/30/434668530.db2.gz WMMQPRIYMZILRH-STQMWFEESA-N 0 0 305.451 3.018 10 30 DGEERN C=CCN(CC=C)c1nnc(CCOc2ccccc2)n1CC ZINC000460185177 434745727 /nfs/dbraw/zinc/74/57/27/434745727.db2.gz SIEZYNJDBNVOBT-UHFFFAOYSA-N 0 0 312.417 3.098 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-c3nnco3)cc2)CCOCC1 ZINC000424585661 434750341 /nfs/dbraw/zinc/75/03/41/434750341.db2.gz CUNRBWZTMBVMIZ-UHFFFAOYSA-N 0 0 313.357 3.048 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N1Cc2ccc(Cl)cc2C1 ZINC000459767183 434708399 /nfs/dbraw/zinc/70/83/99/434708399.db2.gz PUMAYUCDGLEVMD-ZDUSSCGKSA-N 0 0 306.837 3.469 10 30 DGEERN C=CCC1(c2nc(-c3cccc(SC)n3)no2)CCOCC1 ZINC000424359325 434712372 /nfs/dbraw/zinc/71/23/72/434712372.db2.gz HLLHHUOWMNEYFM-UHFFFAOYSA-N 0 0 317.414 3.478 10 30 DGEERN CSCCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000133726035 295589382 /nfs/dbraw/zinc/58/93/82/295589382.db2.gz BIOPHHFERDMLAR-UHFFFAOYSA-N 0 0 306.475 3.451 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)CCc2ccccc2)CCOCC1 ZINC000424527024 434732459 /nfs/dbraw/zinc/73/24/59/434732459.db2.gz OMPPMBSXWXPGJV-MRXNPFEDSA-N 0 0 301.430 3.497 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000459893638 434732786 /nfs/dbraw/zinc/73/27/86/434732786.db2.gz BGXWSDSQDLERQK-QGZVFWFLSA-N 0 0 314.429 3.083 10 30 DGEERN C#Cc1cccc(NC(=O)N2CC[C@H](Oc3ccccc3)C2)c1 ZINC000371675258 434735227 /nfs/dbraw/zinc/73/52/27/434735227.db2.gz FFRDEIKZFBKJMO-SFHVURJKSA-N 0 0 306.365 3.353 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2cccc(OC)c2)CCOCC1 ZINC000424537119 434735776 /nfs/dbraw/zinc/73/57/76/434735776.db2.gz PIFIEFWZZYSQFG-UHFFFAOYSA-N 0 0 303.402 3.027 10 30 DGEERN C=CCCn1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000424560544 434740304 /nfs/dbraw/zinc/74/03/04/434740304.db2.gz BLSWHCQZDXAVDI-GFCCVEGCSA-N 0 0 318.808 3.341 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nnc(C)o1 ZINC000411198456 434744707 /nfs/dbraw/zinc/74/47/07/434744707.db2.gz XSRHDIMSRXLBRL-LLVKDONJSA-N 0 0 302.334 3.035 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H](CCC)C2CCCCC2)nn1 ZINC000424640017 434768116 /nfs/dbraw/zinc/76/81/16/434768116.db2.gz MJCKUIBJDDWMRU-HNNXBMFYSA-N 0 0 304.438 3.333 10 30 DGEERN C=CCC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCOCC1 ZINC000424673539 434775630 /nfs/dbraw/zinc/77/56/30/434775630.db2.gz BOSGEMQIQXRMAF-GOSISDBHSA-N 0 0 313.441 3.497 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000424670183 434775972 /nfs/dbraw/zinc/77/59/72/434775972.db2.gz DREDCSHHBZKGEZ-OAHLLOKOSA-N 0 0 316.445 3.383 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCOc3ccc(F)cc32)CCOCC1 ZINC000424673263 434776603 /nfs/dbraw/zinc/77/66/03/434776603.db2.gz ZXCSKUDMLKBGHC-HNNXBMFYSA-N 0 0 319.376 3.138 10 30 DGEERN Cc1nc(C#N)c(C#N)n1Cc1ccc(Br)c(C)c1 ZINC000443471318 434777444 /nfs/dbraw/zinc/77/74/44/434777444.db2.gz FLUNWSWRHCTZDB-UHFFFAOYSA-N 0 0 315.174 3.054 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OCC)C2(CC)CC)CCOCC1 ZINC000424698764 434782596 /nfs/dbraw/zinc/78/25/96/434782596.db2.gz AZTKTLYWINTXIH-CVEARBPZSA-N 0 0 323.477 3.459 10 30 DGEERN C=CCC1(C(=O)N2CCc3ccc(F)cc3C2)CCOCC1 ZINC000424734924 434790452 /nfs/dbraw/zinc/79/04/52/434790452.db2.gz IIEYDDXWWXVKTN-UHFFFAOYSA-N 0 0 303.377 3.083 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)CC(=O)c2cccs2)CCOCC1 ZINC000424732646 434790710 /nfs/dbraw/zinc/79/07/10/434790710.db2.gz HPNDJEGRCPIAJA-ZDUSSCGKSA-N 0 0 321.442 3.199 10 30 DGEERN C=CCNC(=O)c1ccccc1NCc1nnc(C(C)C)s1 ZINC000453076793 434792329 /nfs/dbraw/zinc/79/23/29/434792329.db2.gz BCABNRDANTYRMX-UHFFFAOYSA-N 0 0 316.430 3.189 10 30 DGEERN C=CCN(CCOC)C(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000361091483 434794678 /nfs/dbraw/zinc/79/46/78/434794678.db2.gz PVKYZUOBFAZTGT-UHFFFAOYSA-N 0 0 310.756 3.235 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000361102160 434797527 /nfs/dbraw/zinc/79/75/27/434797527.db2.gz LDLPMBNKPZKILQ-DLBZAZTESA-N 0 0 300.402 3.148 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccncc2CC)CCOCC1 ZINC000424762134 434797637 /nfs/dbraw/zinc/79/76/37/434797637.db2.gz XTYFHHMXBVJVAU-CQSZACIVSA-N 0 0 302.418 3.194 10 30 DGEERN C=CCC1(C(=O)Nc2cnn(CC(C)C)c2C)CCOCC1 ZINC000424768810 434798090 /nfs/dbraw/zinc/79/80/90/434798090.db2.gz SQQRFWBANAEBHF-UHFFFAOYSA-N 0 0 305.422 3.159 10 30 DGEERN C=CCC1(C(=O)NCc2ccc3ncccc3c2)CCOCC1 ZINC000424807628 434807766 /nfs/dbraw/zinc/80/77/66/434807766.db2.gz FNQDXPHKDFCTLN-UHFFFAOYSA-N 0 0 310.397 3.224 10 30 DGEERN C=CCOc1ccc(CNC(=O)C2(CC=C)CCOCC2)cc1 ZINC000424817612 434808854 /nfs/dbraw/zinc/80/88/54/434808854.db2.gz DBKWFBQILMZMNR-UHFFFAOYSA-N 0 0 315.413 3.241 10 30 DGEERN C=CCC1(C(=O)NCC2(OC)CCC(C)CC2)CCOCC1 ZINC000424815687 434809452 /nfs/dbraw/zinc/80/94/52/434809452.db2.gz XPRKMGHCDUULKU-UHFFFAOYSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CSc3ccccc32)CCOCC1 ZINC000424855366 434818150 /nfs/dbraw/zinc/81/81/50/434818150.db2.gz UAOSCPRRGUPNAC-CQSZACIVSA-N 0 0 317.454 3.365 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2CSc3ccccc32)CCOCC1 ZINC000424855365 434818569 /nfs/dbraw/zinc/81/85/69/434818569.db2.gz UAOSCPRRGUPNAC-AWEZNQCLSA-N 0 0 317.454 3.365 10 30 DGEERN C=CCC1(C(=O)N2CC(C)(CC(F)(F)F)C2)CCOCC1 ZINC000424866256 434819701 /nfs/dbraw/zinc/81/97/01/434819701.db2.gz ODNDFAFEBZKRFR-UHFFFAOYSA-N 0 0 305.340 3.160 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000372256255 434819811 /nfs/dbraw/zinc/81/98/11/434819811.db2.gz VPNZEMJFFDYXAD-IBGZPJMESA-N 0 0 312.413 3.021 10 30 DGEERN C=C(CC)CNC(=O)c1c(C)ccc(Br)c1OC ZINC000424868073 434821490 /nfs/dbraw/zinc/82/14/90/434821490.db2.gz SBDAUIFMWQNLGT-UHFFFAOYSA-N 0 0 312.207 3.462 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)CCCc2cccnc2)CCOCC1 ZINC000424899690 434827292 /nfs/dbraw/zinc/82/72/92/434827292.db2.gz VPIRLOMUDRTSQB-MRXNPFEDSA-N 0 0 316.445 3.282 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000424920048 434829494 /nfs/dbraw/zinc/82/94/94/434829494.db2.gz YKOPOVNJLBVJCP-YJBOKZPZSA-N 0 0 317.429 3.205 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCOc1ccccc1Cl ZINC000424928693 434829576 /nfs/dbraw/zinc/82/95/76/434829576.db2.gz ACSFSZXLIFLURO-ZFWWWQNUSA-N 0 0 323.820 3.206 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000424932988 434829727 /nfs/dbraw/zinc/82/97/27/434829727.db2.gz OXDUFFDLWBDARR-XAJHFOFHSA-N 0 0 309.450 3.068 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC000424930999 434829890 /nfs/dbraw/zinc/82/98/90/434829890.db2.gz IGZBNDKNAQCNHM-INWMFGNUSA-N 0 0 307.821 3.226 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000424930213 434830297 /nfs/dbraw/zinc/83/02/97/434830297.db2.gz DGSJIWYPTVPWBR-RSJGLCBASA-N 0 0 323.477 3.171 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000372645391 434845045 /nfs/dbraw/zinc/84/50/45/434845045.db2.gz QEPPLNWSBSYDMC-HNNXBMFYSA-N 0 0 310.397 3.346 10 30 DGEERN Cc1cc(C#N)nc(NCC(C)(C)c2cccc(Cl)c2)n1 ZINC000553362282 434888337 /nfs/dbraw/zinc/88/83/37/434888337.db2.gz NDMGPCCLSKWZHM-UHFFFAOYSA-N 0 0 300.793 3.700 10 30 DGEERN CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1nc(C)cc(C#N)n1 ZINC000553517762 434893650 /nfs/dbraw/zinc/89/36/50/434893650.db2.gz ZKTUEKCQKJBADW-ABAIWWIYSA-N 0 0 316.792 3.498 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@H]1C ZINC000460963513 434866914 /nfs/dbraw/zinc/86/69/14/434866914.db2.gz YHSGODUKOFQPPD-HUUCEWRRSA-N 0 0 314.433 3.467 10 30 DGEERN Cc1cc(C#N)nc(Sc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000552912622 434873474 /nfs/dbraw/zinc/87/34/74/434873474.db2.gz ZAWSYCYJDQORNO-UHFFFAOYSA-N 0 0 301.762 3.338 10 30 DGEERN C=CCCCCCNC(=O)c1cc2cnn(CC)c2nc1C ZINC000574050720 434947689 /nfs/dbraw/zinc/94/76/89/434947689.db2.gz KGZLTZKTTNUMIF-UHFFFAOYSA-N 0 0 300.406 3.236 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC ZINC000555080713 434960292 /nfs/dbraw/zinc/96/02/92/434960292.db2.gz MEVOSZOTTAUPHF-UHFFFAOYSA-N 0 0 315.377 3.276 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C)(C2CC2)CC1 ZINC000555162412 434963342 /nfs/dbraw/zinc/96/33/42/434963342.db2.gz LBMVNQSGUSHIFY-GOEBONIOSA-N 0 0 306.450 3.189 10 30 DGEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C)CC1 ZINC000555238067 434966629 /nfs/dbraw/zinc/96/66/29/434966629.db2.gz BAWPODUQQQOMQS-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc(-c2ccccc2)cs1 ZINC000573795022 434926511 /nfs/dbraw/zinc/92/65/11/434926511.db2.gz JGFPGDWDFIFAJD-ZFWWWQNUSA-N 0 0 314.410 3.131 10 30 DGEERN CC(C)(CNC(=O)c1sccc1C#N)c1cccc(F)c1 ZINC000522795321 434932053 /nfs/dbraw/zinc/93/20/53/434932053.db2.gz CPPMKGCZDNCZKK-UHFFFAOYSA-N 0 0 302.374 3.466 10 30 DGEERN COC(=O)c1cc(Br)c(C#N)c(C(F)(F)F)c1 ZINC000575383836 435033478 /nfs/dbraw/zinc/03/34/78/435033478.db2.gz MFHYCYKLQMLWNC-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)c1ccc(C(F)F)c(Br)c1C#N ZINC000575382759 435033489 /nfs/dbraw/zinc/03/34/89/435033489.db2.gz RLHSBFBNQCTKDT-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN C=C[C@@H]1OCC[C@H]1Nc1ncc(F)c(Oc2ccccc2F)n1 ZINC000528030343 435018492 /nfs/dbraw/zinc/01/84/92/435018492.db2.gz VSYQJWQVNAQNSR-OLZOCXBDSA-N 0 0 319.311 3.303 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000528079966 435019327 /nfs/dbraw/zinc/01/93/27/435019327.db2.gz NFQNFDNUMFNYAE-CQSZACIVSA-N 0 0 322.290 3.173 10 30 DGEERN C=C(C)CCc1noc(-c2cc(C)n(C3CCOCC3)n2)n1 ZINC000528192092 435020722 /nfs/dbraw/zinc/02/07/22/435020722.db2.gz JMUJRWNUWKZQCM-UHFFFAOYSA-N 0 0 302.378 3.102 10 30 DGEERN C[C@@H](C#N)CN(C)Cc1ccc(Br)c(F)c1F ZINC000528369829 435023654 /nfs/dbraw/zinc/02/36/54/435023654.db2.gz YNRHBQVJVOZZKZ-QMMMGPOBSA-N 0 0 303.150 3.319 10 30 DGEERN COC(=O)c1c(Br)ccc(C#N)c1C(F)(F)F ZINC000575383976 435034187 /nfs/dbraw/zinc/03/41/87/435034187.db2.gz XLXXCMWMYNOZOI-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(Br)c1C(F)F ZINC000575382733 435032772 /nfs/dbraw/zinc/03/27/72/435032772.db2.gz BWMXUCHCCUMHNV-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN COC(=O)c1cc(Br)cc(OC(F)(F)F)c1C#N ZINC000575383667 435033024 /nfs/dbraw/zinc/03/30/24/435033024.db2.gz YEAPYHHBUVJZSU-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1Cl ZINC000575383525 435033093 /nfs/dbraw/zinc/03/30/93/435033093.db2.gz YISDCWYTTLLVAZ-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=CCCCCCNC(=O)C(=O)NCC(C)(C)c1cccs1 ZINC000575071934 435005119 /nfs/dbraw/zinc/00/51/19/435005119.db2.gz MDRKGWKTQQSCTO-UHFFFAOYSA-N 0 0 322.474 3.005 10 30 DGEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1C(F)(F)F ZINC000575386696 435034102 /nfs/dbraw/zinc/03/41/02/435034102.db2.gz AWGHSXSUDRWOEP-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(OC)c1C ZINC000577058088 435058473 /nfs/dbraw/zinc/05/84/73/435058473.db2.gz UPJXRUNZBBOKFE-ZFWWWQNUSA-N 0 0 304.390 3.025 10 30 DGEERN Cc1csc([C@@H](NC(=O)Cc2cccc(C#N)c2)C2CC2)n1 ZINC000530914692 435058638 /nfs/dbraw/zinc/05/86/38/435058638.db2.gz NEPACRFXANNERH-INIZCTEOSA-N 0 0 311.410 3.133 10 30 DGEERN COc1ccc([C@@H](C)CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530915235 435058976 /nfs/dbraw/zinc/05/89/76/435058976.db2.gz RWBGDRFHBQFSAG-HNNXBMFYSA-N 0 0 322.408 3.419 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000577100370 435059771 /nfs/dbraw/zinc/05/97/71/435059771.db2.gz OROKZCGGMJEBPP-WFASDCNBSA-N 0 0 322.836 3.465 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(OC(C)C)c1 ZINC000578008160 435063721 /nfs/dbraw/zinc/06/37/21/435063721.db2.gz KKIAWHDFRRLYSF-BBRMVZONSA-N 0 0 304.390 3.186 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000466540359 435082164 /nfs/dbraw/zinc/08/21/64/435082164.db2.gz FGVAPWSYPUPQPC-WBVHZDCISA-N 0 0 300.402 3.433 10 30 DGEERN C=CCCCC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000466532884 435082280 /nfs/dbraw/zinc/08/22/80/435082280.db2.gz ULRIPRPGJNCFSX-OAHLLOKOSA-N 0 0 323.820 3.287 10 30 DGEERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531386000 435089680 /nfs/dbraw/zinc/08/96/80/435089680.db2.gz BPVHVWZHZMLLCB-UHFFFAOYSA-N 0 0 309.325 3.265 10 30 DGEERN CCOC(=O)Cc1ccc(OC(F)F)c(C(F)F)c1C#N ZINC000575385463 435034762 /nfs/dbraw/zinc/03/47/62/435034762.db2.gz SHJPJWHNGOIQTP-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(CC)cc1C#N ZINC000575388903 435034808 /nfs/dbraw/zinc/03/48/08/435034808.db2.gz JRJWQCDHUDNUHR-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)cc(C=O)c1C#N ZINC000575391322 435035087 /nfs/dbraw/zinc/03/50/87/435035087.db2.gz JRIWWKCTKFPQPJ-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1ccc(SC(F)(F)F)c(C=O)c1C#N ZINC000575390960 435035233 /nfs/dbraw/zinc/03/52/33/435035233.db2.gz BNVUDHUHJZVHDX-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1c(C=O)ccc(C#N)c1SC(F)(F)F ZINC000575390997 435035256 /nfs/dbraw/zinc/03/52/56/435035256.db2.gz CAJQATHOHGSZJV-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000529298739 435035267 /nfs/dbraw/zinc/03/52/67/435035267.db2.gz SBAOLINTJDWARN-HIFRSBDPSA-N 0 0 316.401 3.255 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)cc(F)c1C#N ZINC000575390632 435035354 /nfs/dbraw/zinc/03/53/54/435035354.db2.gz INCOAIGFIZRSLH-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1C=O ZINC000575391416 435035420 /nfs/dbraw/zinc/03/54/20/435035420.db2.gz MKNGJFQLPGVWOP-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1C=O ZINC000575390901 435035491 /nfs/dbraw/zinc/03/54/91/435035491.db2.gz ATNLWMLPXIXVGM-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1cc(F)c(C#N)c(SC(F)(F)F)c1 ZINC000575390684 435035605 /nfs/dbraw/zinc/03/56/05/435035605.db2.gz PWFCSSYTMUPTSR-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1c(C=O)ccc(SC(F)(F)F)c1C#N ZINC000575391777 435035647 /nfs/dbraw/zinc/03/56/47/435035647.db2.gz UCJCZGRWHZUNTK-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1cc(F)c(SC(F)(F)F)c(C#N)c1 ZINC000575390657 435035767 /nfs/dbraw/zinc/03/57/67/435035767.db2.gz LUZJQNFMUDMSMN-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(SC(F)(F)F)c(C=O)c1 ZINC000575391885 435035784 /nfs/dbraw/zinc/03/57/84/435035784.db2.gz YMNYHMQUTQAKJN-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(OC)c1SC(F)(F)F ZINC000575395246 435036342 /nfs/dbraw/zinc/03/63/42/435036342.db2.gz ZTYLNDRCMXOWSX-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1ccc(OC)c(SC(F)(F)F)c1C#N ZINC000575395036 435036523 /nfs/dbraw/zinc/03/65/23/435036523.db2.gz VMBQMFBHVPOTNJ-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cccc(Nc2nccc(C)n2)c1 ZINC000529449640 435036598 /nfs/dbraw/zinc/03/65/98/435036598.db2.gz BWFPDSLNHLVZPI-UHFFFAOYSA-N 0 0 310.401 3.471 10 30 DGEERN CCOc1cc(C(F)F)c(C#N)cc1I ZINC000575666701 435040798 /nfs/dbraw/zinc/04/07/98/435040798.db2.gz LBUVOBDEILORQT-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#CCc1cc(F)c(C(F)F)cc1I ZINC000575668539 435041839 /nfs/dbraw/zinc/04/18/39/435041839.db2.gz RRONIUYRSKUMFL-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#Cc1cc(I)c([N+](=O)[O-])cc1C(F)F ZINC000575671709 435042187 /nfs/dbraw/zinc/04/21/87/435042187.db2.gz VLNCIWZTGLZZCJ-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])cc1Br ZINC000575684225 435044487 /nfs/dbraw/zinc/04/44/87/435044487.db2.gz FQKUJVVWIPXPDR-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN CCOc1c(C)cc(I)cc1CC#N ZINC000575697544 435046570 /nfs/dbraw/zinc/04/65/70/435046570.db2.gz FQRAWMBNRFCCMV-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN Cc1csc(CCCCNC(=O)Cc2cccc(C#N)c2)n1 ZINC000530679970 435048767 /nfs/dbraw/zinc/04/87/67/435048767.db2.gz GFGBHDLNJYBLBT-UHFFFAOYSA-N 0 0 313.426 3.005 10 30 DGEERN COc1c(I)ccc(CC#N)c1SC ZINC000575709451 435049256 /nfs/dbraw/zinc/04/92/56/435049256.db2.gz XGSSSEZWQHGMIH-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000576000928 435052423 /nfs/dbraw/zinc/05/24/23/435052423.db2.gz PCVLWQMCJSPANE-UHFFFAOYSA-N 0 0 318.417 3.275 10 30 DGEERN CC(C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1cccnc1 ZINC000531435164 435093553 /nfs/dbraw/zinc/09/35/53/435093553.db2.gz NNJAWKGBRXMCFM-GOSISDBHSA-N 0 0 307.397 3.052 10 30 DGEERN C[C@@]1(C(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000184008371 297874040 /nfs/dbraw/zinc/87/40/40/297874040.db2.gz BTJHSFAEOYPKPK-LSDHHAIUSA-N 0 0 323.223 3.138 10 30 DGEERN C=C(C)COCCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000474555827 435150475 /nfs/dbraw/zinc/15/04/75/435150475.db2.gz JMUOTKBPUWUKPU-UHFFFAOYSA-N 0 0 305.418 3.072 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccccc2OCC(F)F)c1 ZINC000532399840 435163346 /nfs/dbraw/zinc/16/33/46/435163346.db2.gz PCNMHDVEXSUAOO-UHFFFAOYSA-N 0 0 316.307 3.383 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000532399873 435163945 /nfs/dbraw/zinc/16/39/45/435163945.db2.gz ZWBAXYOMDBUPNS-OAHLLOKOSA-N 0 0 312.756 3.004 10 30 DGEERN CC(C)Oc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1C#N ZINC000533256637 435219772 /nfs/dbraw/zinc/21/97/72/435219772.db2.gz FYMRWCCMPBWUNX-UHFFFAOYSA-N 0 0 319.364 3.398 10 30 DGEERN C[C@@](C#N)(NC(=O)Cn1ncc2ccccc21)C1CCCCC1 ZINC000561601376 435225624 /nfs/dbraw/zinc/22/56/24/435225624.db2.gz NTHQLLSDDBIYRR-SFHVURJKSA-N 0 0 310.401 3.015 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000580391125 435228569 /nfs/dbraw/zinc/22/85/69/435228569.db2.gz KTNOSUSYKHUHGA-UKRRQHHQSA-N 0 0 302.422 3.735 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000580582124 435237345 /nfs/dbraw/zinc/23/73/45/435237345.db2.gz OEPSPCDAGLEIAG-UHFFFAOYSA-N 0 0 319.792 3.013 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000564634672 435272136 /nfs/dbraw/zinc/27/21/36/435272136.db2.gz WHIVMVOETCQVML-FJIDUMEYSA-N 0 0 314.429 3.356 10 30 DGEERN C=CCC1(C(=O)NCCc2cccc3[nH]ccc32)CCOCC1 ZINC000564866642 435273143 /nfs/dbraw/zinc/27/31/43/435273143.db2.gz MJVKWABPUDSILJ-UHFFFAOYSA-N 0 0 312.413 3.200 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000565160244 435277436 /nfs/dbraw/zinc/27/74/36/435277436.db2.gz CEXNDNULSDVJET-UHFFFAOYSA-N 0 0 303.406 3.256 10 30 DGEERN C=CCCCCCNS(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000565903031 435283532 /nfs/dbraw/zinc/28/35/32/435283532.db2.gz DMFXVNMNPCBVQA-ZDUSSCGKSA-N 0 0 309.422 3.478 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(C#N)CC1 ZINC000566732375 435287377 /nfs/dbraw/zinc/28/73/77/435287377.db2.gz IYLVXTDJMPMBTC-CQSZACIVSA-N 0 0 317.462 3.162 10 30 DGEERN N#C[C@@]12CN(Cc3ccccc3)C[C@@H]1c1c(F)cccc1OC2 ZINC000498050567 435302177 /nfs/dbraw/zinc/30/21/77/435302177.db2.gz NUOXHMCWCKVXCG-BEFAXECRSA-N 0 0 308.356 3.327 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OC(F)F)c(OC)c1 ZINC000562508509 435261394 /nfs/dbraw/zinc/26/13/94/435261394.db2.gz XYDKDWCFWRTPOJ-UHFFFAOYSA-N 0 0 314.332 3.062 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)CCOc1ccc(C)cc1)OCC ZINC000535906404 435361225 /nfs/dbraw/zinc/36/12/25/435361225.db2.gz NBVCXXGGMYAPDY-KRWDZBQOSA-N 0 0 305.418 3.204 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000568223281 435408199 /nfs/dbraw/zinc/40/81/99/435408199.db2.gz MBHMBZMOIJVHMP-UHFFFAOYSA-N 0 0 315.417 3.447 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCN(CCC)c2cc(F)ccc21 ZINC000481389811 435423982 /nfs/dbraw/zinc/42/39/82/435423982.db2.gz WHGQHDNRKUWZRR-CQSZACIVSA-N 0 0 320.408 3.370 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000568170283 435399274 /nfs/dbraw/zinc/39/92/74/435399274.db2.gz HOLWXJJPLHFOIU-UHFFFAOYSA-N 0 0 300.402 3.055 10 30 DGEERN C=CCC[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)C1CC1 ZINC000538614606 435508037 /nfs/dbraw/zinc/50/80/37/435508037.db2.gz GIPDQJOCKABGQB-KRWDZBQOSA-N 0 0 316.449 3.099 10 30 DGEERN CCC(CC)[C@H]1C[C@H](NC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000539800793 435568881 /nfs/dbraw/zinc/56/88/81/435568881.db2.gz LXHLBFQETIPRQY-QZTJIDSGSA-N 0 0 314.429 3.201 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000486147665 435589525 /nfs/dbraw/zinc/58/95/25/435589525.db2.gz VEDBCHHLEAKUKM-QGZVFWFLSA-N 0 0 303.446 3.431 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)C[C@H](O)CC(C)(C)C ZINC000486147664 435589612 /nfs/dbraw/zinc/58/96/12/435589612.db2.gz VEDBCHHLEAKUKM-KRWDZBQOSA-N 0 0 303.446 3.431 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC000570569407 435631004 /nfs/dbraw/zinc/63/10/04/435631004.db2.gz RWLARSHISIMIPY-RYUDHWBXSA-N 0 0 317.462 3.378 10 30 DGEERN C=C(C)CN(C)C(=O)NCCc1ccccc1Br ZINC000486385614 435597842 /nfs/dbraw/zinc/59/78/42/435597842.db2.gz DTRZGMPGRHTXNU-UHFFFAOYSA-N 0 0 311.223 3.209 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000540422110 435599875 /nfs/dbraw/zinc/59/98/75/435599875.db2.gz BBEQEEGEILSWCR-NVXWUHKLSA-N 0 0 319.445 3.268 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)Cn1cnc2c1CCCC2 ZINC000541770578 435646072 /nfs/dbraw/zinc/64/60/72/435646072.db2.gz XRWYERVFVJUYFS-UHFFFAOYSA-N 0 0 315.442 3.038 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1scnc1C1CCCC1 ZINC000570676277 435639989 /nfs/dbraw/zinc/63/99/89/435639989.db2.gz MUPIROBGYSGYQK-STQMWFEESA-N 0 0 306.431 3.122 10 30 DGEERN Cc1cc(Nc2ccncc2C#N)cnc1N1CCCC[C@H]1C ZINC000548163146 435675022 /nfs/dbraw/zinc/67/50/22/435675022.db2.gz WZVPBAXWNRKQQM-CQSZACIVSA-N 0 0 307.401 3.201 10 30 DGEERN CC1(C)[C@H](Nc2ccncc2C#N)C[C@@H]1OCc1ccccc1 ZINC000548483974 435696356 /nfs/dbraw/zinc/69/63/56/435696356.db2.gz QUDQUNLHPDOYQY-MSOLQXFVSA-N 0 0 307.397 3.171 10 30 DGEERN COc1cccc(C2(CNc3ccncc3C#N)CCCC2)c1 ZINC000548480229 435696632 /nfs/dbraw/zinc/69/66/32/435696632.db2.gz JMDGXUIIUNTHLG-UHFFFAOYSA-N 0 0 307.397 3.308 10 30 DGEERN Cn1c2ccc(Nc3ccncc3C#N)cc2nc1C(C)(C)C ZINC000548490853 435698966 /nfs/dbraw/zinc/69/89/66/435698966.db2.gz JHDISDRLOWGTAL-UHFFFAOYSA-N 0 0 305.385 3.303 10 30 DGEERN C=CCN(CCOC)C(=O)NCc1ccc(C2CC2)cc1F ZINC000491234504 435719495 /nfs/dbraw/zinc/71/94/95/435719495.db2.gz GNCJCOAVCBETMY-UHFFFAOYSA-N 0 0 306.381 3.047 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)Cc1ccoc1 ZINC000572762281 435864737 /nfs/dbraw/zinc/86/47/37/435864737.db2.gz YQPIGZFKMADJJQ-UHFFFAOYSA-N 0 0 315.402 3.125 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)c1cc(F)ccc1F ZINC000572994725 435889615 /nfs/dbraw/zinc/88/96/15/435889615.db2.gz PYDCWEQADQSEBD-XZJROXQQSA-N 0 0 324.371 3.306 10 30 DGEERN N#CC1(CS(=O)(=O)N2CCC[C@H]2c2ccco2)CCCCC1 ZINC000408229452 303143351 /nfs/dbraw/zinc/14/33/51/303143351.db2.gz RXBZHBBDBMYRRN-AWEZNQCLSA-N 0 0 322.430 3.220 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1CCCOCC1 ZINC000328641314 303514390 /nfs/dbraw/zinc/51/43/90/303514390.db2.gz DBSOUASQYSXSPG-HRCADAONSA-N 0 0 304.390 3.075 10 30 DGEERN N#Cc1cccc(Cc2nc(COc3ccc(F)cc3)no2)c1 ZINC000532198133 313526577 /nfs/dbraw/zinc/52/65/77/313526577.db2.gz FLBPJGBUTAJNAO-UHFFFAOYSA-N 0 0 309.300 3.250 10 30 DGEERN CCC(CC)[C@H]1C[C@@H](NC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000539800796 313931122 /nfs/dbraw/zinc/93/11/22/313931122.db2.gz LXHLBFQETIPRQY-ZWKOTPCHSA-N 0 0 314.429 3.201 10 30 DGEERN COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000540976328 313991079 /nfs/dbraw/zinc/99/10/79/313991079.db2.gz YMQDSGJOQYTIOB-SJCJKPOMSA-N 0 0 314.360 3.090 10 30 DGEERN N#Cc1cccc(Cc2nc([C@H]3CCOc4ccccc43)no2)c1 ZINC000545687111 314262482 /nfs/dbraw/zinc/26/24/82/314262482.db2.gz AXIXWPGOAABIOA-INIZCTEOSA-N 0 0 317.348 3.446 10 30 DGEERN C[C@]1(NC(=O)Cc2cccc(C#N)c2)CCCc2ccccc21 ZINC000545895929 314273516 /nfs/dbraw/zinc/27/35/16/314273516.db2.gz LBGPPRWNOGGXKJ-FQEVSTJZSA-N 0 0 304.393 3.469 10 30 DGEERN COc1ccc(CN(C)c2ccncc2C#N)cc1OC(F)F ZINC000547826209 314399343 /nfs/dbraw/zinc/39/93/43/314399343.db2.gz AINUHUQNKIXNFH-UHFFFAOYSA-N 0 0 319.311 3.200 10 30 DGEERN Cc1cccc(-c2nnc(Sc3ccncc3C#N)n2C)c1 ZINC000547824325 314399527 /nfs/dbraw/zinc/39/95/27/314399527.db2.gz FBYQLLRBXUTCOP-UHFFFAOYSA-N 0 0 307.382 3.208 10 30 DGEERN N#Cc1cnccc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000547826676 314399561 /nfs/dbraw/zinc/39/95/61/314399561.db2.gz DVYWDHABPVYRBL-UHFFFAOYSA-N 0 0 309.213 3.274 10 30 DGEERN Cc1ccc(Nc2ccncc2C#N)cc1OCC1CCOCC1 ZINC000548154274 314427120 /nfs/dbraw/zinc/42/71/20/314427120.db2.gz IVBLXSJFARDQMT-UHFFFAOYSA-N 0 0 323.396 3.233 10 30 DGEERN Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccccc1 ZINC000555147960 314713336 /nfs/dbraw/zinc/71/33/36/314713336.db2.gz TXGDUIQRIXSUJA-UHFFFAOYSA-N 0 0 317.396 3.143 10 30 DGEERN CCc1cnccc1C(=O)Nc1nc2cc(C#N)ccc2n1CC ZINC000182589316 323305281 /nfs/dbraw/zinc/30/52/81/323305281.db2.gz RCYMSDBYXULQRM-UHFFFAOYSA-N 0 0 319.368 3.138 10 30 DGEERN CCS[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188043028 323421397 /nfs/dbraw/zinc/42/13/97/323421397.db2.gz DKVYIGJAXFXWJP-CVEARBPZSA-N 0 0 314.454 3.380 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000194972419 323484081 /nfs/dbraw/zinc/48/40/81/323484081.db2.gz LIVIJBUUMXFUAZ-ZWKOTPCHSA-N 0 0 320.367 3.401 10 30 DGEERN C=C(C)Cn1c(-c2ncccn2)nnc1N1CCCCC[C@H]1C ZINC000570549958 332771396 /nfs/dbraw/zinc/77/13/96/332771396.db2.gz KMNGAXQEUQYPBE-CQSZACIVSA-N 0 0 312.421 3.080 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1oc2ccccc2c1C ZINC000570712199 332804918 /nfs/dbraw/zinc/80/49/18/332804918.db2.gz MVMJDISVJVECTJ-ZFWWWQNUSA-N 0 0 314.385 3.132 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000425587189 335107362 /nfs/dbraw/zinc/10/73/62/335107362.db2.gz RSNJNYUHFJSLEC-FFSVYQOJSA-N 0 0 324.371 3.258 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000566463455 332429249 /nfs/dbraw/zinc/42/92/49/332429249.db2.gz DFNRFVZHBPHQEF-INIZCTEOSA-N 0 0 318.392 3.041 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000570343457 332741953 /nfs/dbraw/zinc/74/19/53/332741953.db2.gz QCURKSSIILLKDF-UHFFFAOYSA-N 0 0 311.385 3.036 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)C[C@H]1C ZINC000580132479 332952817 /nfs/dbraw/zinc/95/28/17/332952817.db2.gz OQXPMJRZJNPRRU-CPUCHLNUSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc2c1CN(C)C2=O ZINC000580343436 335116057 /nfs/dbraw/zinc/11/60/57/335116057.db2.gz OTUHTHIYIXXPHP-UHFFFAOYSA-N 0 0 301.390 3.140 10 30 DGEERN C=CCCCCCNC(=O)N(C)[C@H](CO)c1ccc(OC)cc1 ZINC000580213512 333013206 /nfs/dbraw/zinc/01/32/06/333013206.db2.gz RZEHJZJYDUKSJF-QGZVFWFLSA-N 0 0 320.433 3.116 10 30 DGEERN N#CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185720936 333212705 /nfs/dbraw/zinc/21/27/05/333212705.db2.gz BVYMLWXMYXGXLH-YPMHNXCESA-N 0 0 313.184 3.101 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000497772391 333289250 /nfs/dbraw/zinc/28/92/50/333289250.db2.gz FBRAKMGIQMQFSK-QZTJIDSGSA-N 0 0 303.446 3.192 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@](C)(F)C2)cc1OC ZINC000295679141 335136794 /nfs/dbraw/zinc/13/67/94/335136794.db2.gz XYWDLLXTYVPBPR-KRWDZBQOSA-N 0 0 307.365 3.224 10 30 DGEERN C=C(C)Cn1c(-c2ncccn2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000521410947 333373732 /nfs/dbraw/zinc/37/37/32/333373732.db2.gz KWPMSIMWIQYRRK-AWEZNQCLSA-N 0 0 324.432 3.080 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1 ZINC000391349968 333454643 /nfs/dbraw/zinc/45/46/43/333454643.db2.gz DKKKJJFGAMPQJW-UHFFFAOYSA-N 0 0 311.381 3.429 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000185724192 335147300 /nfs/dbraw/zinc/14/73/00/335147300.db2.gz OIHXGUCOISPBGP-SECBINFHSA-N 0 0 306.353 3.423 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000185724174 335147326 /nfs/dbraw/zinc/14/73/26/335147326.db2.gz OIHXGUCOISPBGP-VIFPVBQESA-N 0 0 306.353 3.423 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000295243269 334221124 /nfs/dbraw/zinc/22/11/24/334221124.db2.gz JHEXFIPSYZIKTM-GOSISDBHSA-N 0 0 311.385 3.082 10 30 DGEERN N#CCc1ccnc(NC(=O)c2csc(Br)c2)c1 ZINC000531925548 334293581 /nfs/dbraw/zinc/29/35/81/334293581.db2.gz UCYQEHLDAXIUKE-UHFFFAOYSA-N 0 0 322.187 3.224 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCOCC1CC1 ZINC000342526984 334545545 /nfs/dbraw/zinc/54/55/45/334545545.db2.gz JTLSGYPWMYJIQX-UHFFFAOYSA-N 0 0 319.449 3.185 10 30 DGEERN C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)OC ZINC000102232837 334713565 /nfs/dbraw/zinc/71/35/65/334713565.db2.gz SDTIGJNUMSCIJP-UHFFFAOYSA-N 0 0 301.264 3.397 10 30 DGEERN CCc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1[N+](=O)[O-] ZINC000535324806 334716233 /nfs/dbraw/zinc/71/62/33/334716233.db2.gz HVGZEQPVABBPOF-MRXNPFEDSA-N 0 0 303.362 3.215 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000519595387 335879679 /nfs/dbraw/zinc/87/96/79/335879679.db2.gz NFYZVIRTBJTMSR-LIRRHRJNSA-N 0 0 324.424 3.368 10 30 DGEERN C=CCC[C@@H](Nc1nc2c(cnn2C)c(N)n1)c1ccccc1 ZINC000302887506 336373375 /nfs/dbraw/zinc/37/33/75/336373375.db2.gz NVUASZOXNOWCIH-CQSZACIVSA-N 0 0 308.389 3.065 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000354365799 336468390 /nfs/dbraw/zinc/46/83/90/336468390.db2.gz FCLDFPIREXQGLO-UHFFFAOYSA-N 0 0 305.805 3.365 10 30 DGEERN CC(C)COc1ccc(CC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000356980431 336568340 /nfs/dbraw/zinc/56/83/40/336568340.db2.gz TUIOFDGAQORFDO-UHFFFAOYSA-N 0 0 314.429 3.416 10 30 DGEERN COc1ccc(C2(C(=O)N3CCC(C)(C#N)CC3)CCC2)cc1 ZINC000356983742 336568709 /nfs/dbraw/zinc/56/87/09/336568709.db2.gz WGUBDOYJWULBNX-UHFFFAOYSA-N 0 0 312.413 3.269 10 30 DGEERN C=C(C)[C@@H](Cc1nc(CC2CCC(OC)CC2)no1)OCC ZINC000357732196 336596402 /nfs/dbraw/zinc/59/64/02/336596402.db2.gz NYPBZJYXCTWLGP-YMAMQOFZSA-N 0 0 308.422 3.341 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000372542200 336934266 /nfs/dbraw/zinc/93/42/66/336934266.db2.gz FMMIPVWCARLCGW-KRWDZBQOSA-N 0 0 316.445 3.015 10 30 DGEERN C=CCC[C@H](C(=O)N1CCn2cc(C)nc2C1)c1ccccc1 ZINC000375285603 337007256 /nfs/dbraw/zinc/00/72/56/337007256.db2.gz DHEILVLTVRJLHJ-KRWDZBQOSA-N 0 0 309.413 3.284 10 30 DGEERN CC(C)N(Cc1ccccn1)C(=O)NCC1CCC(C#N)CC1 ZINC000582764165 337140053 /nfs/dbraw/zinc/14/00/53/337140053.db2.gz CSKUALVWNLWQNH-UHFFFAOYSA-N 0 0 314.433 3.332 10 30 DGEERN C=CCN(C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000161361587 337582516 /nfs/dbraw/zinc/58/25/16/337582516.db2.gz FNQYLAHXIKHIDZ-UHFFFAOYSA-N 0 0 307.353 3.456 10 30 DGEERN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161891900 337599212 /nfs/dbraw/zinc/59/92/12/337599212.db2.gz KMYYGYXINLNIEC-SFHVURJKSA-N 0 0 301.349 3.257 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(CCC)C[C@H]1CCCCO1 ZINC000572419857 337635415 /nfs/dbraw/zinc/63/54/15/337635415.db2.gz MGRBCPRKZPVNIZ-OAHLLOKOSA-N 0 0 306.454 3.202 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000580446902 337677922 /nfs/dbraw/zinc/67/79/22/337677922.db2.gz ZTFSCJNZQRETNT-STQMWFEESA-N 0 0 322.371 3.078 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000527485252 337744415 /nfs/dbraw/zinc/74/44/15/337744415.db2.gz LAEVDWQFLAFLEL-WMLDXEAASA-N 0 0 306.406 3.011 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000515453150 337989526 /nfs/dbraw/zinc/98/95/26/337989526.db2.gz YIPOFEOPVGDTGH-KSZLIROESA-N 0 0 314.429 3.228 10 30 DGEERN C=C(C)CN(CC)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000516566939 340027496 /nfs/dbraw/zinc/02/74/96/340027496.db2.gz PHEFULSXRWGNQW-ZDUSSCGKSA-N 0 0 306.431 3.147 10 30 DGEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000504389695 340146787 /nfs/dbraw/zinc/14/67/87/340146787.db2.gz UZMBJGZBBPQTGT-UONOGXRCSA-N 0 0 309.479 3.386 10 30 DGEERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000504397348 340146892 /nfs/dbraw/zinc/14/68/92/340146892.db2.gz VIPHUCMPNMOSGU-HUUCEWRRSA-N 0 0 321.465 3.163 10 30 DGEERN C[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1cccc(F)c1F ZINC000504397720 340147040 /nfs/dbraw/zinc/14/70/40/340147040.db2.gz XLCCSRWSDRWAAK-NSHDSACASA-N 0 0 307.344 3.361 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC(C(=O)OC)CC1 ZINC000505000267 340158313 /nfs/dbraw/zinc/15/83/13/340158313.db2.gz BNDGJABTNYNTQU-UHFFFAOYSA-N 0 0 316.401 3.222 10 30 DGEERN C=C(C)CCSCc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000507117843 340208232 /nfs/dbraw/zinc/20/82/32/340208232.db2.gz AKUWAAUHKQSKBM-UHFFFAOYSA-N 0 0 308.399 3.459 10 30 DGEERN CC[C@H]1CCCC[C@H]1OCC(=O)NCC1CCC(C#N)CC1 ZINC000508352806 340242777 /nfs/dbraw/zinc/24/27/77/340242777.db2.gz PRTZELKKCWJLEG-SJJHQCBESA-N 0 0 306.450 3.418 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N(C)CCc1ccc(F)cc1 ZINC000508880050 340254988 /nfs/dbraw/zinc/25/49/88/340254988.db2.gz JQCRAXXATVHSGN-UHFFFAOYSA-N 0 0 314.408 3.235 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@@H](C)C1 ZINC000508936884 340256088 /nfs/dbraw/zinc/25/60/88/340256088.db2.gz UOYUYJYDRMSBEQ-GFCCVEGCSA-N 0 0 300.381 3.425 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCS[C@@H](CC)C1 ZINC000509002829 340257809 /nfs/dbraw/zinc/25/78/09/340257809.db2.gz UBSDGVYZZKHDMZ-AWEZNQCLSA-N 0 0 308.495 3.385 10 30 DGEERN C=CCSCCNC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000509219815 340263941 /nfs/dbraw/zinc/26/39/41/340263941.db2.gz WDWXKUSDRNNSFJ-UHFFFAOYSA-N 0 0 324.877 3.443 10 30 DGEERN C=CCN1CC[C@@H](Nc2cc(Cc3ccccn3)ccc2C)C1=O ZINC000509509622 340271705 /nfs/dbraw/zinc/27/17/05/340271705.db2.gz UPNZGICNVVXOAZ-GOSISDBHSA-N 0 0 321.424 3.180 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(C(=O)OC)cc2)CCCC1 ZINC000516621358 340325594 /nfs/dbraw/zinc/32/55/94/340325594.db2.gz PKGAXOJRLQXTCO-UHFFFAOYSA-N 0 0 301.386 3.226 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C1CC1 ZINC000173260966 340361343 /nfs/dbraw/zinc/36/13/43/340361343.db2.gz RMJHBHSXSOFIEP-QGZVFWFLSA-N 0 0 309.344 3.283 10 30 DGEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)ccc1NC(=O)CC(C)C ZINC000173630463 340369324 /nfs/dbraw/zinc/36/93/24/340369324.db2.gz ARSHUHRBPWXINY-INIZCTEOSA-N 0 0 313.401 3.012 10 30 DGEERN C=C(CNC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1ccccc1 ZINC000512659672 340371655 /nfs/dbraw/zinc/37/16/55/340371655.db2.gz JDIROEWVTPCUJC-IRXDYDNUSA-N 0 0 316.445 3.138 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC(C)(C)C(=O)NCC1CCCCC1 ZINC000186074288 340507909 /nfs/dbraw/zinc/50/79/09/340507909.db2.gz YJFMGZOJBHLXAF-AWEZNQCLSA-N 0 0 308.466 3.180 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000186977309 340517165 /nfs/dbraw/zinc/51/71/65/340517165.db2.gz POWHTJRFMCBTAJ-GOEBONIOSA-N 0 0 303.402 3.236 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528526165 340723011 /nfs/dbraw/zinc/72/30/11/340723011.db2.gz XTKXIVDVPSUQNZ-OAHLLOKOSA-N 0 0 317.429 3.461 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000528939744 340740128 /nfs/dbraw/zinc/74/01/28/340740128.db2.gz RNGRIHOCTVICPD-QCQGSNGOSA-N 0 0 304.390 3.185 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529502267 340758179 /nfs/dbraw/zinc/75/81/79/340758179.db2.gz POMCAPNSVDMFAA-HJWJTTGWSA-N 0 0 303.377 3.027 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000530042542 340778460 /nfs/dbraw/zinc/77/84/60/340778460.db2.gz SLDWBDGLLZRTMZ-HIFRSBDPSA-N 0 0 301.386 3.320 10 30 DGEERN C=CC(C)(C)CCN1C(=O)CN(Cc2ccc(F)cc2)C1=O ZINC000530199042 340782390 /nfs/dbraw/zinc/78/23/90/340782390.db2.gz XENPUQGDPFPBOR-UHFFFAOYSA-N 0 0 304.365 3.192 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1ccc(OC)cc1Cl ZINC000123962345 340796472 /nfs/dbraw/zinc/79/64/72/340796472.db2.gz GJKUDUNXQNECKV-UHFFFAOYSA-N 0 0 310.825 3.499 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nnc(C2CC2)o1 ZINC000063533889 340799460 /nfs/dbraw/zinc/79/94/60/340799460.db2.gz UUZLMADMDPSJCE-UHFFFAOYSA-N 0 0 301.302 3.163 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000541339220 340967838 /nfs/dbraw/zinc/96/78/38/340967838.db2.gz QXKOIOJSNJNGCJ-QGZVFWFLSA-N 0 0 316.445 3.395 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000565185239 340970258 /nfs/dbraw/zinc/97/02/58/340970258.db2.gz GVXKQVBYKNKSED-UHFFFAOYSA-N 0 0 310.344 3.425 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000543876348 341062368 /nfs/dbraw/zinc/06/23/68/341062368.db2.gz BPGUGDGNVPZZKY-KRWDZBQOSA-N 0 0 318.461 3.272 10 30 DGEERN C=CC[C@@H](CC)NS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000546060601 341153057 /nfs/dbraw/zinc/15/30/57/341153057.db2.gz DJHLOIBHCSZQOU-OAHLLOKOSA-N 0 0 314.495 3.222 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)Nc2ccn(CCC#N)n2)cc1F ZINC000134001627 341204244 /nfs/dbraw/zinc/20/42/44/341204244.db2.gz ZADSWLKLMACWQS-GFCCVEGCSA-N 0 0 315.352 3.127 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)SC ZINC000134122273 341207003 /nfs/dbraw/zinc/20/70/03/341207003.db2.gz SDZSNTWKGQGWJI-GFCCVEGCSA-N 0 0 323.418 3.044 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000547371058 341209421 /nfs/dbraw/zinc/20/94/21/341209421.db2.gz YTFPFFPDIMSNKU-FZMZJTMJSA-N 0 0 307.356 3.141 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CCCC2(C)C)c(OC)c1 ZINC000077352360 341223451 /nfs/dbraw/zinc/22/34/51/341223451.db2.gz SJHCSAPGNSZFGU-UHFFFAOYSA-N 0 0 303.402 3.204 10 30 DGEERN CC1(C#N)CCN(C(=O)Nc2nccn2-c2ccccc2)CC1 ZINC000548967562 341282549 /nfs/dbraw/zinc/28/25/49/341282549.db2.gz MRHTVAPTRIIWMM-UHFFFAOYSA-N 0 0 309.373 3.030 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000245455848 341295125 /nfs/dbraw/zinc/29/51/25/341295125.db2.gz AZRHFIPDRRLVCA-MJBXVCDLSA-N 0 0 324.421 3.161 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC000549657065 341299997 /nfs/dbraw/zinc/29/99/97/341299997.db2.gz VWSAUPSLBKBAMX-CVEARBPZSA-N 0 0 320.481 3.304 10 30 DGEERN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC ZINC000549667641 341300131 /nfs/dbraw/zinc/30/01/31/341300131.db2.gz BYBDUUCBAPYCCB-UHFFFAOYSA-N 0 0 309.417 3.469 10 30 DGEERN CCO[C@H](C)c1nc(CN(C)C[C@@H](C#N)CCC#N)cs1 ZINC000247554842 341367227 /nfs/dbraw/zinc/36/72/27/341367227.db2.gz QGEDSBPPKFFDLA-CHWSQXEVSA-N 0 0 306.435 3.116 10 30 DGEERN O=C1COc2cccc(OCC#Cc3ccc(Cl)cc3)c2N1 ZINC000091598059 341426913 /nfs/dbraw/zinc/42/69/13/341426913.db2.gz OXELXBYDZMRTQU-UHFFFAOYSA-N 0 0 313.740 3.101 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000253352283 341454185 /nfs/dbraw/zinc/45/41/85/341454185.db2.gz INEWIWNTVBVWGP-TXPKVOOTSA-N 0 0 303.446 3.335 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N(C)Cc1cc(C)on1 ZINC000554627089 341459919 /nfs/dbraw/zinc/45/99/19/341459919.db2.gz JNQUEQGGSGWGDC-UHFFFAOYSA-N 0 0 301.394 3.055 10 30 DGEERN C=CCCCNC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000556100228 341494387 /nfs/dbraw/zinc/49/43/87/341494387.db2.gz ITNNEKVWKPDMIA-GFCCVEGCSA-N 0 0 311.451 3.348 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000566443026 341558415 /nfs/dbraw/zinc/55/84/15/341558415.db2.gz XGNSJWDUPGWIDB-UHFFFAOYSA-N 0 0 319.792 3.013 10 30 DGEERN N#CCc1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1 ZINC000155568603 341609444 /nfs/dbraw/zinc/60/94/44/341609444.db2.gz XGMPPRGIKLDAOS-UHFFFAOYSA-N 0 0 323.400 3.386 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000568198083 341658011 /nfs/dbraw/zinc/65/80/11/341658011.db2.gz RYYBTPATTUOZPX-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000568384269 341669373 /nfs/dbraw/zinc/66/93/73/341669373.db2.gz OWIQQBPLEZNMRN-SZMVWBNQSA-N 0 0 316.445 3.125 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000568816372 341682559 /nfs/dbraw/zinc/68/25/59/341682559.db2.gz JBDLLRRNHLYKRN-KBPBESRZSA-N 0 0 308.495 3.383 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000576714835 341859876 /nfs/dbraw/zinc/85/98/76/341859876.db2.gz HKKCLRYQBBSPNK-KRWDZBQOSA-N 0 0 302.418 3.117 10 30 DGEERN C=C(C)COc1cc(CNc2cncc(OC)n2)ccc1OC ZINC000577373151 341906497 /nfs/dbraw/zinc/90/64/97/341906497.db2.gz AUPOKPYFCNPTIE-UHFFFAOYSA-N 0 0 315.373 3.061 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 ZINC000177142703 341916711 /nfs/dbraw/zinc/91/67/11/341916711.db2.gz BRFMFZLNMLFWRK-UONOGXRCSA-N 0 0 315.417 3.255 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CC)CNC(=O)[C@@H](C)CC(=C)C ZINC000274435282 500571179 /nfs/dbraw/zinc/57/11/79/500571179.db2.gz IQSQDSNBJXAENQ-ARFHVFGLSA-N 0 0 308.466 3.202 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(F)c1 ZINC000193864231 500571885 /nfs/dbraw/zinc/57/18/85/500571885.db2.gz KOJNFYSPTHSUCE-MRXNPFEDSA-N 0 0 313.307 3.279 10 30 DGEERN CC(C)(C)c1nnsc1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000329940476 500601846 /nfs/dbraw/zinc/60/18/46/500601846.db2.gz 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/nfs/dbraw/zinc/16/94/60/534169460.db2.gz CJRAOCFHJVPZAW-UHFFFAOYSA-N 0 0 320.270 3.374 10 30 DGEERN COc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1NC(C)=O ZINC000160526243 534169826 /nfs/dbraw/zinc/16/98/26/534169826.db2.gz UTJYTZGNOLKVJZ-UHFFFAOYSA-N 0 0 323.352 3.086 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC)c(OC)c1 ZINC000455879350 534321678 /nfs/dbraw/zinc/32/16/78/534321678.db2.gz PZVRGGFEAJHDPR-YOEHRIQHSA-N 0 0 318.417 3.360 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H]1COCC1(C)C)c1ccc(F)c(F)c1 ZINC000454820676 534338132 /nfs/dbraw/zinc/33/81/32/534338132.db2.gz UXVIIADDCMLSQT-CABCVRRESA-N 0 0 324.371 3.306 10 30 DGEERN O=C(C[C@H]1CCCCNC1=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000329414836 534338258 /nfs/dbraw/zinc/33/82/58/534338258.db2.gz FEYSXJQSFZXZRD-SNVBAGLBSA-N 0 0 301.346 3.240 10 30 DGEERN Cc1ccn2c(CN3CCC[C@]4(CCCCO4)[C@@H]3C#N)cnc2c1 ZINC000333077561 534344739 /nfs/dbraw/zinc/34/47/39/534344739.db2.gz DWEIFCDTKQWBHV-PKOBYXMFSA-N 0 0 324.428 3.070 10 30 DGEERN Cc1ccn2c(CN3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cnc2c1 ZINC000333077558 534345555 /nfs/dbraw/zinc/34/55/55/534345555.db2.gz DWEIFCDTKQWBHV-HKUYNNGSSA-N 0 0 324.428 3.070 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccn(CCC#N)n1)[C@@H](C)C2 ZINC000184031602 534448149 /nfs/dbraw/zinc/44/81/49/534448149.db2.gz BXQCOKQVDUSBNA-SUMWQHHRSA-N 0 0 323.400 3.160 10 30 DGEERN CCCCCOc1ccc(C=NNc2nc(C)cc(=O)[nH]2)cc1 ZINC000038201000 520251401 /nfs/dbraw/zinc/25/14/01/520251401.db2.gz PTYKVDAFYJLISA-PDGQHHTCSA-N 0 0 314.389 3.093 10 30 DGEERN C=CC(C)(C)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000451412854 534499219 /nfs/dbraw/zinc/49/92/19/534499219.db2.gz XVLYPCZQJOWPLE-UHFFFAOYSA-N 0 0 322.836 3.005 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455661782 534512814 /nfs/dbraw/zinc/51/28/14/534512814.db2.gz POFFGLJOUGOJLY-QMMMGPOBSA-N 0 0 307.341 3.258 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000455647695 534524010 /nfs/dbraw/zinc/52/40/10/534524010.db2.gz BIBMHDIRKRTJNJ-JTQLQIEISA-N 0 0 319.352 3.354 10 30 DGEERN CCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2C)cn1 ZINC000161800028 520919993 /nfs/dbraw/zinc/91/99/93/520919993.db2.gz NICJPGJQXJWYDZ-UHFFFAOYSA-N 0 0 308.385 3.360 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000488881872 534553019 /nfs/dbraw/zinc/55/30/19/534553019.db2.gz UJNRDUNYBYDKGP-PMPSAXMXSA-N 0 0 313.397 3.128 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000488823251 534556937 /nfs/dbraw/zinc/55/69/37/534556937.db2.gz LWTSFRNRUIZNSV-GFCCVEGCSA-N 0 0 301.312 3.016 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(F)ccc1OC(C)C ZINC000454676567 534567978 /nfs/dbraw/zinc/56/79/78/534567978.db2.gz SNJUYRNAYKYVRO-HIFRSBDPSA-N 0 0 322.380 3.468 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000456265833 534572071 /nfs/dbraw/zinc/57/20/71/534572071.db2.gz OQQPNAVMDLZWDK-KURKYZTESA-N 0 0 315.413 3.044 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000455415213 534601097 /nfs/dbraw/zinc/60/10/97/534601097.db2.gz ROPWTUSNJSIRGU-VDNDLQMASA-N 0 0 318.392 3.262 10 30 DGEERN Cc1nc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc2s1 ZINC000408233845 534663847 /nfs/dbraw/zinc/66/38/47/534663847.db2.gz BQXRPCUBICMMEG-PWSUYJOCSA-N 0 0 300.387 3.419 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000488810661 534692068 /nfs/dbraw/zinc/69/20/68/534692068.db2.gz BLTFCAWRQSVFOT-NSHDSACASA-N 0 0 314.307 3.203 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000488879851 534692599 /nfs/dbraw/zinc/69/25/99/534692599.db2.gz SMPWVOGCLXYEPV-LBPRGKRZSA-N 0 0 317.339 3.331 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)COc1ccccc1OC ZINC000480122189 534701102 /nfs/dbraw/zinc/70/11/02/534701102.db2.gz JCTMOGGXBWQHMH-HNNXBMFYSA-N 0 0 320.433 3.318 10 30 DGEERN N#CCSc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000079412625 534708872 /nfs/dbraw/zinc/70/88/72/534708872.db2.gz SILHZUBGZRTHIV-HZPDHXFCSA-N 0 0 316.426 3.086 10 30 DGEERN C=CCCCNC(=O)Nc1cc(COC)cc(C(=O)OCC)c1 ZINC000455487702 534729641 /nfs/dbraw/zinc/72/96/41/534729641.db2.gz JIBXEDGTZOAMKW-UHFFFAOYSA-N 0 0 320.389 3.097 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000489822389 534741453 /nfs/dbraw/zinc/74/14/53/534741453.db2.gz SOHRFVWSFXIALL-MRXNPFEDSA-N 0 0 311.422 3.085 10 30 DGEERN C=CCCCS(=O)(=O)NCc1ccccc1OC1CCC1 ZINC000489469505 534744159 /nfs/dbraw/zinc/74/41/59/534744159.db2.gz DDNIXISSXIECOW-UHFFFAOYSA-N 0 0 309.431 3.004 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000453704892 534748207 /nfs/dbraw/zinc/74/82/07/534748207.db2.gz XHBXXTBOWOHUQD-CYBMUJFWSA-N 0 0 318.417 3.057 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCCc2ccccc21 ZINC000328827478 534761741 /nfs/dbraw/zinc/76/17/41/534761741.db2.gz ILGQJPBIEUZURS-BRWVUGGUSA-N 0 0 300.402 3.135 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)N[C@H](C#N)C3CCCCC3)nc21 ZINC000177716708 534773361 /nfs/dbraw/zinc/77/33/61/534773361.db2.gz GVVRUZVRLMEUQS-MRXNPFEDSA-N 0 0 324.428 3.393 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)N[C@@]3(C#N)CCC[C@H](C)C3)nc21 ZINC000176609576 534771558 /nfs/dbraw/zinc/77/15/58/534771558.db2.gz ZSXNUPJSUTYDAE-DJJJIMSYSA-N 0 0 324.428 3.393 10 30 DGEERN N#Cc1ccc(NCCN2CCc3c(Cl)cccc3C2)nc1 ZINC000302697193 534794517 /nfs/dbraw/zinc/79/45/17/534794517.db2.gz WNQQPNBMLQJGQL-UHFFFAOYSA-N 0 0 312.804 3.077 10 30 DGEERN Cc1csc(N2CCC(C(=O)N[C@]3(C)CCO[C@@H]3C)CC2)n1 ZINC000329681457 534824657 /nfs/dbraw/zinc/82/46/57/534824657.db2.gz YFPIEXXWBSUVTM-MLGOLLRUSA-N 0 0 323.462 3.192 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000495247348 534839520 /nfs/dbraw/zinc/83/95/20/534839520.db2.gz NCASMEQCJHJLQV-HNNXBMFYSA-N 0 0 318.373 3.067 10 30 DGEERN Cc1ccc([C@H]2CN(Cc3cc(F)ccc3C#N)CCO2)o1 ZINC000159040505 526024983 /nfs/dbraw/zinc/02/49/83/526024983.db2.gz DRUUWVITSMAHCI-QGZVFWFLSA-N 0 0 300.333 3.172 10 30 DGEERN C=CCN(CCc1ccccc1)c1nnc(-c2ccoc2)n1C ZINC000349828634 526313587 /nfs/dbraw/zinc/31/35/87/526313587.db2.gz GYEPEIHWHLSYNI-UHFFFAOYSA-N 0 0 308.385 3.310 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCc1csc(CC)n1 ZINC000353397707 526318961 /nfs/dbraw/zinc/31/89/61/526318961.db2.gz XJIPPLIXGCDYIO-UHFFFAOYSA-N 0 0 319.430 3.239 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCOCC1 ZINC000373225297 526339176 /nfs/dbraw/zinc/33/91/76/526339176.db2.gz DYPHPXKMMGPXCG-INIZCTEOSA-N 0 0 303.402 3.027 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)C1CCOCC1 ZINC000124018608 526344219 /nfs/dbraw/zinc/34/42/19/526344219.db2.gz HSNYTOLIEWBKBD-HNNXBMFYSA-N 0 0 312.413 3.136 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(C)s1 ZINC000195272646 526349228 /nfs/dbraw/zinc/34/92/28/526349228.db2.gz XGFBMWPYJMEPKE-UHFFFAOYSA-N 0 0 317.370 3.188 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCCS1 ZINC000341154954 526349525 /nfs/dbraw/zinc/34/95/25/526349525.db2.gz YXTFYCMYXJVFDU-OAHLLOKOSA-N 0 0 320.414 3.395 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cn1 ZINC000346278840 526350038 /nfs/dbraw/zinc/35/00/38/526350038.db2.gz GGSIPUAMFDEJKQ-UHFFFAOYSA-N 0 0 301.321 3.317 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)C(C)(C)c1cnn(C)c1 ZINC000342374908 526359641 /nfs/dbraw/zinc/35/96/41/526359641.db2.gz NZPCQWUZUINOSO-UHFFFAOYSA-N 0 0 315.392 3.052 10 30 DGEERN C=CCN1C(=O)N(C(CC)CC)C(=O)[C@@H]1Cc1ccccc1 ZINC000430884921 526402658 /nfs/dbraw/zinc/40/26/58/526402658.db2.gz JKJRNFOFOJDXNV-INIZCTEOSA-N 0 0 300.402 3.237 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000424711079 526435196 /nfs/dbraw/zinc/43/51/96/526435196.db2.gz IQOVLYVAUIPNKO-GFCCVEGCSA-N 0 0 308.372 3.262 10 30 DGEERN C=C(C)CN(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000182638525 526487771 /nfs/dbraw/zinc/48/77/71/526487771.db2.gz CAEPUQMWQSSDOE-UHFFFAOYSA-N 0 0 317.364 3.241 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433646206 526491834 /nfs/dbraw/zinc/49/18/34/526491834.db2.gz RSZPFNFHIJNLIE-GFCCVEGCSA-N 0 0 304.287 3.489 10 30 DGEERN C=C(C)CN(CC)C(=O)CN(C#N)c1ccc(OC)c(Cl)c1 ZINC000355251972 526518227 /nfs/dbraw/zinc/51/82/27/526518227.db2.gz GWORFJXJOHHPLK-UHFFFAOYSA-N 0 0 321.808 3.061 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433696639 526534173 /nfs/dbraw/zinc/53/41/73/526534173.db2.gz LFVPXXRQKYRJQZ-UHFFFAOYSA-N 0 0 319.405 3.003 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N1CC[C@@H](C)C1 ZINC000352311183 526570502 /nfs/dbraw/zinc/57/05/02/526570502.db2.gz SIMIRCGOBUDQSM-OAHLLOKOSA-N 0 0 304.438 3.304 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCOC[C@@H]1C ZINC000342460308 526571850 /nfs/dbraw/zinc/57/18/50/526571850.db2.gz LGWMCPQPAUUBLF-RDJZCZTQSA-N 0 0 319.449 3.041 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(C#N)cs1 ZINC000356339879 526573290 /nfs/dbraw/zinc/57/32/90/526573290.db2.gz OHPWGPQMTWYSCB-UHFFFAOYSA-N 0 0 315.446 3.370 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCCC[C@@H]1CCCC[C@@H]1O ZINC000154466397 526576354 /nfs/dbraw/zinc/57/63/54/526576354.db2.gz FXYLSRGZEXQIRC-LRDDRELGSA-N 0 0 303.362 3.210 10 30 DGEERN C=CCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000184209302 526612931 /nfs/dbraw/zinc/61/29/31/526612931.db2.gz YTNURQZYIRUNBP-UHFFFAOYSA-N 0 0 318.204 3.031 10 30 DGEERN C=C(C)CNC(=O)CCc1cccc(F)c1Br ZINC000295733527 526613287 /nfs/dbraw/zinc/61/32/87/526613287.db2.gz MFMSDYGZPRBQKI-UHFFFAOYSA-N 0 0 300.171 3.213 10 30 DGEERN C=C(C)COCCNC(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000413380655 526634376 /nfs/dbraw/zinc/63/43/76/526634376.db2.gz JGBKUWDEJAHRGW-UHFFFAOYSA-N 0 0 316.445 3.198 10 30 DGEERN C=C(C)COCCNC(=O)NCc1cc(F)c(Cl)cc1F ZINC000434286922 526641287 /nfs/dbraw/zinc/64/12/87/526641287.db2.gz LGCFIAVFCCFTNS-UHFFFAOYSA-N 0 0 318.751 3.010 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NCCC2(F)CCC2)cc1 ZINC000348826002 526649313 /nfs/dbraw/zinc/64/93/13/526649313.db2.gz FBVRFVOKSXRNGB-UHFFFAOYSA-N 0 0 319.380 3.006 10 30 DGEERN C=C(C)COc1cccc(NCc2c(C)nn(C)c2OC)c1 ZINC000129265096 526671953 /nfs/dbraw/zinc/67/19/53/526671953.db2.gz BAEHELYJDMYYLD-UHFFFAOYSA-N 0 0 301.390 3.304 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435420010 526687149 /nfs/dbraw/zinc/68/71/49/526687149.db2.gz AIOLJJTZGRDDPT-DLBZAZTESA-N 0 0 301.411 3.191 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000185238313 526694475 /nfs/dbraw/zinc/69/44/75/526694475.db2.gz OTBRFOJRXXKVPO-MRXNPFEDSA-N 0 0 316.445 3.336 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000341453586 526697374 /nfs/dbraw/zinc/69/73/74/526697374.db2.gz ADTZEZVHLOISLR-CQSZACIVSA-N 0 0 303.402 3.109 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000185416035 526699354 /nfs/dbraw/zinc/69/93/54/526699354.db2.gz WJHVNIZCHBATCW-CVEARBPZSA-N 0 0 316.445 3.240 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000183798503 526699998 /nfs/dbraw/zinc/69/99/98/526699998.db2.gz BSHBYIHLWUZPIK-CYBMUJFWSA-N 0 0 315.442 3.466 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000185600031 526700670 /nfs/dbraw/zinc/70/06/70/526700670.db2.gz IWKVPIBFNJCBJP-HZPDHXFCSA-N 0 0 316.445 3.383 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000185282827 526702900 /nfs/dbraw/zinc/70/29/00/526702900.db2.gz OJRRKPOQDJOYCX-CZUORRHYSA-N 0 0 316.401 3.345 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000341326314 526703082 /nfs/dbraw/zinc/70/30/82/526703082.db2.gz QREHXSCYSIZPGX-CYBMUJFWSA-N 0 0 321.384 3.356 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000345669549 526704116 /nfs/dbraw/zinc/70/41/16/526704116.db2.gz BGDYZUWMGJWIKN-GFCCVEGCSA-N 0 0 319.380 3.286 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337229610 526704588 /nfs/dbraw/zinc/70/45/88/526704588.db2.gz VDNQZRJRQTVEMW-JKSUJKDBSA-N 0 0 316.445 3.267 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000185378160 526710631 /nfs/dbraw/zinc/71/06/31/526710631.db2.gz WTFHVOBVJOWKGM-HOTGVXAUSA-N 0 0 316.445 3.240 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000185167187 526711805 /nfs/dbraw/zinc/71/18/05/526711805.db2.gz VHZDNHJAQVOMNO-HNNXBMFYSA-N 0 0 314.429 3.028 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000185493899 526712167 /nfs/dbraw/zinc/71/21/67/526712167.db2.gz BNLGHXJLQXPQGX-KBPBESRZSA-N 0 0 305.418 3.353 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000185174298 526712305 /nfs/dbraw/zinc/71/23/05/526712305.db2.gz QGVGCCSQKCLBRC-LSDHHAIUSA-N 0 0 316.445 3.433 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000185491105 526714050 /nfs/dbraw/zinc/71/40/50/526714050.db2.gz AEUWQZFHQSJEFG-LBPRGKRZSA-N 0 0 311.385 3.286 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1SCCC(N)=O ZINC000185671139 526714960 /nfs/dbraw/zinc/71/49/60/526714960.db2.gz DWYKHYCSRVXISY-LBPRGKRZSA-N 0 0 306.431 3.195 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000185287181 526714986 /nfs/dbraw/zinc/71/49/86/526714986.db2.gz UJMRIBWCFUKIMI-NSHDSACASA-N 0 0 304.781 3.462 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000185282775 526715007 /nfs/dbraw/zinc/71/50/07/526715007.db2.gz OJRRKPOQDJOYCX-BBRMVZONSA-N 0 0 316.401 3.345 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@](C)(CC)C1 ZINC000338798685 526718482 /nfs/dbraw/zinc/71/84/82/526718482.db2.gz BXOSFLUVYORFAS-KRWDZBQOSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000338804710 526720135 /nfs/dbraw/zinc/72/01/35/526720135.db2.gz WMNXTCHSLFLNRM-HIFRSBDPSA-N 0 0 316.405 3.118 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(C)Cc1ccccc1OCC ZINC000338805046 526721813 /nfs/dbraw/zinc/72/18/13/526721813.db2.gz DTYBRRWYJBLYSC-UHFFFAOYSA-N 0 0 300.406 3.198 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1CCC(OCC(C)C)CC1 ZINC000338847112 526725153 /nfs/dbraw/zinc/72/51/53/526725153.db2.gz RZPGVGKUPGICMD-UHFFFAOYSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCOCCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159756024 526729079 /nfs/dbraw/zinc/72/90/79/526729079.db2.gz QWSWAFSBXSTZHX-UHFFFAOYSA-N 0 0 303.377 3.424 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CC2(CCC2)C[C@H]1C ZINC000359114112 526730255 /nfs/dbraw/zinc/73/02/55/526730255.db2.gz GZJNNDOVYFTOBT-CQSZACIVSA-N 0 0 304.438 3.160 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416052381 526730920 /nfs/dbraw/zinc/73/09/20/526730920.db2.gz TUMVSXQMPSNUOK-MRXNPFEDSA-N 0 0 323.383 3.481 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1Cc2ccccc2[C@H]1C ZINC000359242713 526731724 /nfs/dbraw/zinc/73/17/24/526731724.db2.gz NUMFXRMTLDGCCV-CQSZACIVSA-N 0 0 312.417 3.472 10 30 DGEERN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CC#N ZINC000359107057 526732199 /nfs/dbraw/zinc/73/21/99/526732199.db2.gz HWKGMAKMUBIKEI-MRXNPFEDSA-N 0 0 323.444 3.492 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000338845989 526732218 /nfs/dbraw/zinc/73/22/18/526732218.db2.gz FWVLGUMCRULJDC-QAPCUYQASA-N 0 0 318.465 3.407 10 30 DGEERN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC ZINC000338832866 526732880 /nfs/dbraw/zinc/73/28/80/526732880.db2.gz YMGXZHAFZJIQMB-UHFFFAOYSA-N 0 0 309.417 3.313 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H]1CCc2cc(F)c(OC)cc21)OCC ZINC000338095015 526750299 /nfs/dbraw/zinc/75/02/99/526750299.db2.gz OCVNYPGKGWFJFH-JKSUJKDBSA-N 0 0 321.392 3.309 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ncn(C2CCCCC2)n1)OCC ZINC000344974085 526753929 /nfs/dbraw/zinc/75/39/29/526753929.db2.gz JYBOFWFLSXMOFQ-CQSZACIVSA-N 0 0 306.410 3.093 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000345933718 526764801 /nfs/dbraw/zinc/76/48/01/526764801.db2.gz OQNRHAICJIQMFD-SZMVWBNQSA-N 0 0 317.429 3.079 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000281847337 526772314 /nfs/dbraw/zinc/77/23/14/526772314.db2.gz ROXDVXPFFGDIGU-OIISXLGYSA-N 0 0 317.433 3.155 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1)OCC ZINC000339378832 526814393 /nfs/dbraw/zinc/81/43/93/526814393.db2.gz QNDQEEJCBRQTQK-LRDDRELGSA-N 0 0 309.381 3.383 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)c1c(F)cccc1OC)OCC ZINC000339362268 526816096 /nfs/dbraw/zinc/81/60/96/526816096.db2.gz YNCVXQUECSGHNZ-DOMZBBRYSA-N 0 0 309.381 3.383 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccccc1CC(=O)OCC)OCC ZINC000339220489 526817065 /nfs/dbraw/zinc/81/70/65/526817065.db2.gz ZGPASFWQJVFBKW-INIZCTEOSA-N 0 0 319.401 3.102 10 30 DGEERN C=CCOc1ccc(/C=C\c2ncc(C(=O)NC)s2)cc1 ZINC000338838295 526834819 /nfs/dbraw/zinc/83/48/19/526834819.db2.gz BOOGWOWLGODKPG-TWGQIWQCSA-N 0 0 300.383 3.238 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000341805258 526837781 /nfs/dbraw/zinc/83/77/81/526837781.db2.gz BRKDQTFPHUDTLT-CHWSQXEVSA-N 0 0 305.340 3.159 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000439265100 526837844 /nfs/dbraw/zinc/83/78/44/526837844.db2.gz JNXOAKUMPMHXBR-IAGOWNOFSA-N 0 0 315.413 3.140 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H]2CC23CCCC3)cc1OC ZINC000430215646 526850289 /nfs/dbraw/zinc/85/02/89/526850289.db2.gz FJKLJRYMABSHRY-MRXNPFEDSA-N 0 0 301.386 3.323 10 30 DGEERN C=CCOc1ccc(CN(CC)Cc2cn(C)nn2)cc1Cl ZINC000359295719 526863894 /nfs/dbraw/zinc/86/38/94/526863894.db2.gz HURQVFJJMQKKAJ-UHFFFAOYSA-N 0 0 320.824 3.055 10 30 DGEERN C=CCOc1ccc(CN[C@@H](C)c2noc(COCC)n2)cc1 ZINC000356297438 526887078 /nfs/dbraw/zinc/88/70/78/526887078.db2.gz OUNBEPMVHLKNFG-ZDUSSCGKSA-N 0 0 317.389 3.022 10 30 DGEERN C=CCOc1cccc(NC(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000180055268 526911354 /nfs/dbraw/zinc/91/13/54/526911354.db2.gz KLDJBIHORDOZMU-UHFFFAOYSA-N 0 0 317.385 3.169 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@@H](C)c1ccncc1OC ZINC000189536345 526928031 /nfs/dbraw/zinc/92/80/31/526928031.db2.gz KVQALOLDTNLFPF-ZDUSSCGKSA-N 0 0 312.369 3.146 10 30 DGEERN C=CCSCCNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000345070016 526983810 /nfs/dbraw/zinc/98/38/10/526983810.db2.gz AEMVTPSYDCVRSM-UHFFFAOYSA-N 0 0 305.443 3.302 10 30 DGEERN C=CCSCCNC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000187953136 526986644 /nfs/dbraw/zinc/98/66/44/526986644.db2.gz NBYPAYATLTWXAP-UHFFFAOYSA-N 0 0 312.479 3.039 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000342825408 526995950 /nfs/dbraw/zinc/99/59/50/526995950.db2.gz GWHNWADAXULXGD-LLVKDONJSA-N 0 0 324.446 3.408 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000432557877 527008843 /nfs/dbraw/zinc/00/88/43/527008843.db2.gz NKHYKZJGGNNIPF-AWEZNQCLSA-N 0 0 310.825 3.275 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000342539896 527009155 /nfs/dbraw/zinc/00/91/55/527009155.db2.gz CHQAZVRSULBMNB-UKRRQHHQSA-N 0 0 305.443 3.462 10 30 DGEERN C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000294142509 527012043 /nfs/dbraw/zinc/01/20/43/527012043.db2.gz HBBHAHVZZGWFQR-LSDHHAIUSA-N 0 0 315.413 3.280 10 30 DGEERN C=CC[C@@H](C(=O)N[C@@H](CO)c1ccsc1)c1ccccc1 ZINC000356246587 527016642 /nfs/dbraw/zinc/01/66/42/527016642.db2.gz ADDLOCBYUDHWQZ-CVEARBPZSA-N 0 0 301.411 3.258 10 30 DGEERN C=CCC(CC=C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000150842711 527027455 /nfs/dbraw/zinc/02/74/55/527027455.db2.gz SRWQIGGQHBRNBA-UHFFFAOYSA-N 0 0 313.445 3.243 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000121367160 527031208 /nfs/dbraw/zinc/03/12/08/527031208.db2.gz GUXCMWZKYFDKOD-CQSZACIVSA-N 0 0 310.401 3.213 10 30 DGEERN C=CCC1(C(=O)NC2CCC(CSC)CC2)CCOCC1 ZINC000424862274 527049862 /nfs/dbraw/zinc/04/98/62/527049862.db2.gz ICHQEBMWCRRIOT-UHFFFAOYSA-N 0 0 311.491 3.397 10 30 DGEERN C=CCC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCOCC1 ZINC000424673540 527057995 /nfs/dbraw/zinc/05/79/95/527057995.db2.gz BOSGEMQIQXRMAF-SFHVURJKSA-N 0 0 313.441 3.497 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C(=O)OCC)cc2)CCOCC1 ZINC000424529211 527060908 /nfs/dbraw/zinc/06/09/08/527060908.db2.gz RQOPUDYZGHMOEO-UHFFFAOYSA-N 0 0 317.385 3.175 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(Cc2cccs2)CCCCC1 ZINC000290814800 527085313 /nfs/dbraw/zinc/08/53/13/527085313.db2.gz GMHFICNUZXRKEO-AWEZNQCLSA-N 0 0 307.459 3.294 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000185871704 527088357 /nfs/dbraw/zinc/08/83/57/527088357.db2.gz JKIXWLQYRLZVIJ-AWEZNQCLSA-N 0 0 309.365 3.182 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000337067195 527099170 /nfs/dbraw/zinc/09/91/70/527099170.db2.gz KOBAPZSCWQYLTH-QMMMGPOBSA-N 0 0 313.184 3.142 10 30 DGEERN C#CCOc1ccc(CN[C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000153827487 527105263 /nfs/dbraw/zinc/10/52/63/527105263.db2.gz UPOQRTIJGWKLOH-QGZVFWFLSA-N 0 0 324.428 3.038 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000413823732 527106963 /nfs/dbraw/zinc/10/69/63/527106963.db2.gz ARTMHUGGSUKJKF-ZWKOTPCHSA-N 0 0 318.461 3.222 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC1(C)C ZINC000413577806 527110136 /nfs/dbraw/zinc/11/01/36/527110136.db2.gz IXDCTQSMAIEREI-JKSUJKDBSA-N 0 0 302.418 3.041 10 30 DGEERN C=CC[C@H](C(=O)NCCc1cccnc1OC)c1ccccc1 ZINC000291376499 527121890 /nfs/dbraw/zinc/12/18/90/527121890.db2.gz ZVSZJFXWZAQITQ-KRWDZBQOSA-N 0 0 310.397 3.109 10 30 DGEERN C=CCCCCNC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000351616113 527158451 /nfs/dbraw/zinc/15/84/51/527158451.db2.gz QRBXENZAJNLUBP-UHFFFAOYSA-N 0 0 312.417 3.336 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)N(C[C@@H](C)C#N)C2CC2)c1C(C)C ZINC000338347790 527161209 /nfs/dbraw/zinc/16/12/09/527161209.db2.gz LQTVPUJMYHANMA-NSHDSACASA-N 0 0 315.417 3.413 10 30 DGEERN C=CCCCCNC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000352584557 527162228 /nfs/dbraw/zinc/16/22/28/527162228.db2.gz VYDYNZNFCRQDIH-UHFFFAOYSA-N 0 0 306.410 3.021 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000297703986 527174663 /nfs/dbraw/zinc/17/46/63/527174663.db2.gz IWZZKDRGLTVJMA-OAHLLOKOSA-N 0 0 318.417 3.148 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cnccc1-c1ccccc1 ZINC000430034679 527181203 /nfs/dbraw/zinc/18/12/03/527181203.db2.gz KSMYCZYQIOMDKG-UHFFFAOYSA-N 0 0 323.396 3.112 10 30 DGEERN C=CCCCN(C)C(=O)Cn1c(-c2cccs2)n[nH]c1=S ZINC000135656931 527181343 /nfs/dbraw/zinc/18/13/43/527181343.db2.gz RPMIIDOMRONYOL-UHFFFAOYSA-N 0 0 322.459 3.094 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000180657493 527184748 /nfs/dbraw/zinc/18/47/48/527184748.db2.gz FBQQYEBIUSZZEQ-AWEZNQCLSA-N 0 0 305.422 3.367 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000133123384 527187565 /nfs/dbraw/zinc/18/75/65/527187565.db2.gz HKAPVWQDXPWRDD-UHFFFAOYSA-N 0 0 301.390 3.009 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000184687474 527187722 /nfs/dbraw/zinc/18/77/22/527187722.db2.gz HGLVCKLFPDUXDX-UHFFFAOYSA-N 0 0 315.417 3.416 10 30 DGEERN C=CCCCN(C)C(=O)c1cn(C)nc1-c1ccccc1OC ZINC000132723045 527190311 /nfs/dbraw/zinc/19/03/11/527190311.db2.gz ARDMSXXNWBYNIS-UHFFFAOYSA-N 0 0 313.401 3.134 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000185818085 527193901 /nfs/dbraw/zinc/19/39/01/527193901.db2.gz BMNRTXHSQPAYCC-SMDDNHRTSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000448371918 527209764 /nfs/dbraw/zinc/20/97/64/527209764.db2.gz CBFLKXGHZDTHDI-UHFFFAOYSA-N 0 0 320.392 3.279 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000420099024 527211677 /nfs/dbraw/zinc/21/16/77/527211677.db2.gz DZPFYPIUIWQDAK-MHORFTMASA-N 0 0 324.424 3.237 10 30 DGEERN C=CCCCNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000448032765 527219678 /nfs/dbraw/zinc/21/96/78/527219678.db2.gz WTYAVYJQFVBZPX-UHFFFAOYSA-N 0 0 323.824 3.324 10 30 DGEERN C=CC[C@H]1N(C(=O)CNC(=O)c2ccsc2)CCCC1(C)C ZINC000444644323 527223919 /nfs/dbraw/zinc/22/39/19/527223919.db2.gz NCQWCGIAGMCABZ-CQSZACIVSA-N 0 0 320.458 3.071 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCCCc2c(C)nn(C)c2C)c1 ZINC000302152045 527225064 /nfs/dbraw/zinc/22/50/64/527225064.db2.gz UOYBRQZWZXVMFU-UHFFFAOYSA-N 0 0 310.401 3.156 10 30 DGEERN C=CCc1ccc(OCC(=O)NCC2(C)CCC2)c(OC)c1 ZINC000175123236 527249666 /nfs/dbraw/zinc/24/96/66/527249666.db2.gz UGQOCJJLGXPGMY-UHFFFAOYSA-N 0 0 303.402 3.109 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000357937825 527266178 /nfs/dbraw/zinc/26/61/78/527266178.db2.gz QOGDZPYLBBYMNH-CYBMUJFWSA-N 0 0 301.390 3.111 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000343357229 527267991 /nfs/dbraw/zinc/26/79/91/527267991.db2.gz KJDHTKLNQWHKRO-UKRRQHHQSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)CCCOC ZINC000337872430 527268095 /nfs/dbraw/zinc/26/80/95/527268095.db2.gz WCGWUXVRNIIXRE-UHFFFAOYSA-N 0 0 318.396 3.051 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1C ZINC000289320909 527268785 /nfs/dbraw/zinc/26/87/85/527268785.db2.gz BPNMXPICAYCVCL-LBPRGKRZSA-N 0 0 313.361 3.028 10 30 DGEERN C=CCn1c(-c2cccn2C)nnc1N1CC2(CCC2)C[C@H]1C ZINC000350731075 527276577 /nfs/dbraw/zinc/27/65/77/527276577.db2.gz YFWSYDYJPCFGIK-CQSZACIVSA-N 0 0 311.433 3.239 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccs1 ZINC000337915679 527278580 /nfs/dbraw/zinc/27/85/80/527278580.db2.gz UDOIXYOZCZPEPH-UHFFFAOYSA-N 0 0 300.387 3.422 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C2CC2)cc1 ZINC000352325014 527282022 /nfs/dbraw/zinc/28/20/22/527282022.db2.gz LOLDTHIVIAMHCC-AWEZNQCLSA-N 0 0 314.429 3.041 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCC(c2nccs2)CC1 ZINC000337897365 527289972 /nfs/dbraw/zinc/28/99/72/527289972.db2.gz FFOWQLZYVNNKRC-UHFFFAOYSA-N 0 0 317.462 3.428 10 30 DGEERN C=CCn1c(C)nnc1N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000337839423 527297339 /nfs/dbraw/zinc/29/73/39/527297339.db2.gz DWPXZOAVIQPQLG-UHFFFAOYSA-N 0 0 300.406 3.034 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000351111857 527308161 /nfs/dbraw/zinc/30/81/61/527308161.db2.gz FZJJYCDYTIKBMC-HNNXBMFYSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1cccc(C)n1 ZINC000351168269 527315668 /nfs/dbraw/zinc/31/56/68/527315668.db2.gz PMGJYQHZDKHHOH-UHFFFAOYSA-N 0 0 313.449 3.393 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](C)CC1 ZINC000350597489 527319783 /nfs/dbraw/zinc/31/97/83/527319783.db2.gz KTEHCEPLKOXPED-OAHLLOKOSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000350741388 527321336 /nfs/dbraw/zinc/32/13/36/527321336.db2.gz OOHUYZKVUJNGAF-LSDHHAIUSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC ZINC000337822040 527326219 /nfs/dbraw/zinc/32/62/19/527326219.db2.gz SJBUQPQURLAYGZ-UHFFFAOYSA-N 0 0 300.406 3.116 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(C=C)CC1 ZINC000424116333 527351888 /nfs/dbraw/zinc/35/18/88/527351888.db2.gz ADTWVHOEYIXORI-AWEZNQCLSA-N 0 0 304.463 3.435 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC=C(C)CC1 ZINC000350741627 527352462 /nfs/dbraw/zinc/35/24/62/527352462.db2.gz QDRGAMYUQBHJCL-KRWDZBQOSA-N 0 0 322.412 3.297 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C)CC1 ZINC000337901347 527352697 /nfs/dbraw/zinc/35/26/97/527352697.db2.gz JDRJMOBIZIWMIU-KRWDZBQOSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1C ZINC000350728453 527360887 /nfs/dbraw/zinc/36/08/87/527360887.db2.gz BXQXVPKHLBPKOM-XJKSGUPXSA-N 0 0 310.401 3.129 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128845696 527392298 /nfs/dbraw/zinc/39/22/98/527392298.db2.gz CQNSFBBNBNSWEH-RHSMWYFYSA-N 0 0 321.392 3.015 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000180836663 527417794 /nfs/dbraw/zinc/41/77/94/527417794.db2.gz WTIZUCCPTINICM-CYBMUJFWSA-N 0 0 315.822 3.049 10 30 DGEERN C=C[C@@H](CC(=O)N1CC(=O)Nc2c(C)ccnc21)c1ccccc1 ZINC000180861514 527418953 /nfs/dbraw/zinc/41/89/53/527418953.db2.gz GKCZCBLPMSRGBO-AWEZNQCLSA-N 0 0 321.380 3.035 10 30 DGEERN C=CCC[C@@H](NC(=O)NCC[C@@H]1CCOC1)c1ccccc1 ZINC000343885360 527441151 /nfs/dbraw/zinc/44/11/51/527441151.db2.gz FDYWKNPBFUNWTJ-NVXWUHKLSA-N 0 0 302.418 3.420 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000134564424 527456769 /nfs/dbraw/zinc/45/67/69/527456769.db2.gz HVPMYZNIPYLXIC-OAHLLOKOSA-N 0 0 312.394 3.335 10 30 DGEERN CC(C)(C#N)CCCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000444695459 527460236 /nfs/dbraw/zinc/46/02/36/527460236.db2.gz SLAULDRACHFQON-GOSISDBHSA-N 0 0 316.445 3.486 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1 ZINC000424913654 527492829 /nfs/dbraw/zinc/49/28/29/527492829.db2.gz LCPMAWLRGNDUGU-FZMZJTMJSA-N 0 0 311.834 3.139 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccccc1Cl ZINC000425574580 527494463 /nfs/dbraw/zinc/49/44/63/527494463.db2.gz LLKQAWKYTSUCID-WFASDCNBSA-N 0 0 308.809 3.073 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)Cc1ccccc1 ZINC000425455863 527495438 /nfs/dbraw/zinc/49/54/38/527495438.db2.gz VEHYMDWRMIDJEO-IRXDYDNUSA-N 0 0 316.445 3.146 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCC)c1ccccc1 ZINC000425404058 527495860 /nfs/dbraw/zinc/49/58/60/527495860.db2.gz VMNVRKBAOBATRR-ULQDDVLXSA-N 0 0 302.418 3.418 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424932868 527496920 /nfs/dbraw/zinc/49/69/20/527496920.db2.gz OKZZHRJTAKVZJD-XQHKEYJVSA-N 0 0 305.340 3.062 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCOCC2(CC2)C1 ZINC000337584710 527506693 /nfs/dbraw/zinc/50/66/93/527506693.db2.gz DPVYMHAQKIZCFX-UHFFFAOYSA-N 0 0 300.402 3.450 10 30 DGEERN C=CCCc1ccccc1NCc1csc(CC(=O)NC)n1 ZINC000336972538 527510687 /nfs/dbraw/zinc/51/06/87/527510687.db2.gz QSQRRDFKPKGBNO-UHFFFAOYSA-N 0 0 315.442 3.162 10 30 DGEERN C=CCN(C(=O)CC1CCCC1)c1nc(C(=O)OCC)cs1 ZINC000355100203 527533910 /nfs/dbraw/zinc/53/39/10/527533910.db2.gz UOIZROVHYIUCGO-UHFFFAOYSA-N 0 0 322.430 3.419 10 30 DGEERN C=CCN(C(=O)[C@H](OC1CCOCC1)c1ccccc1)C1CC1 ZINC000347907705 527546985 /nfs/dbraw/zinc/54/69/85/527546985.db2.gz PWMBSGPQIUWNKC-GOSISDBHSA-N 0 0 315.413 3.100 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000351726396 527552803 /nfs/dbraw/zinc/55/28/03/527552803.db2.gz DSUNBICESRGWHC-MRXNPFEDSA-N 0 0 318.398 3.084 10 30 DGEERN C=C[C@H](C)NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000340826223 527555130 /nfs/dbraw/zinc/55/51/30/527555130.db2.gz WYCYZVDIAYGJDW-ZDUSSCGKSA-N 0 0 316.401 3.027 10 30 DGEERN C=C[C@H](CC(=O)NCC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC000346938404 527576373 /nfs/dbraw/zinc/57/63/73/527576373.db2.gz QBCMNLFKQTUZPK-OCCSQVGLSA-N 0 0 315.335 3.430 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C(C)=O)c(C)nc1C ZINC000362762570 527588470 /nfs/dbraw/zinc/58/84/70/527588470.db2.gz KKUJWJBXPIOQBT-UHFFFAOYSA-N 0 0 314.307 3.092 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1c(F)c(F)cc(F)c1F ZINC000175659544 527588572 /nfs/dbraw/zinc/58/85/72/527588572.db2.gz BQHFHQPUIHKXQU-UHFFFAOYSA-N 0 0 315.188 3.434 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000362475058 527602347 /nfs/dbraw/zinc/60/23/47/527602347.db2.gz WONPOEFWGMEVHV-HNNXBMFYSA-N 0 0 300.406 3.254 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000135008562 527610927 /nfs/dbraw/zinc/61/09/27/527610927.db2.gz DYVJLFKAJLLIRE-DNVCBOLYSA-N 0 0 316.445 3.240 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000352166290 527640482 /nfs/dbraw/zinc/64/04/82/527640482.db2.gz DACLDQKSRUSTIY-IBGZPJMESA-N 0 0 321.380 3.496 10 30 DGEERN C=CCN(CCC#N)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000359394898 527654590 /nfs/dbraw/zinc/65/45/90/527654590.db2.gz ZRSLVKFRBWCGPF-UHFFFAOYSA-N 0 0 300.402 3.291 10 30 DGEERN CC(C)CC[C@@](C)(O)CNC(=O)Nc1ccc(F)cc1C#N ZINC000177906038 527832943 /nfs/dbraw/zinc/83/29/43/527832943.db2.gz SRYSBVZFWDKNOJ-MRXNPFEDSA-N 0 0 307.369 3.006 10 30 DGEERN CC1(C)[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)[C@@H]2CCCO[C@H]21 ZINC000328669800 527850496 /nfs/dbraw/zinc/85/04/96/527850496.db2.gz MFEICUFAJNOOTR-YXAMBPQSSA-N 0 0 308.422 3.436 10 30 DGEERN CCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000130426912 528118538 /nfs/dbraw/zinc/11/85/38/528118538.db2.gz RYUBQXYUWWOUFJ-NVXWUHKLSA-N 0 0 320.477 3.349 10 30 DGEERN CCCCCCCCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172766896 528122393 /nfs/dbraw/zinc/12/23/93/528122393.db2.gz ZRHIYVDWKLUWRB-KRWDZBQOSA-N 0 0 310.482 3.060 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094015757 528632938 /nfs/dbraw/zinc/63/29/38/528632938.db2.gz KXWLPTZXOZHAKM-ZDUSSCGKSA-N 0 0 316.401 3.264 10 30 DGEERN CCCc1n[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328609417 528680515 /nfs/dbraw/zinc/68/05/15/528680515.db2.gz DGPOVTNBJGSZGP-RHSMWYFYSA-N 0 0 313.401 3.445 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CNc1cc(F)ccc1OC(C)C ZINC000088532896 528697053 /nfs/dbraw/zinc/69/70/53/528697053.db2.gz MIQYPEZBVQEUPX-CYBMUJFWSA-N 0 0 321.396 3.033 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000183791477 529299861 /nfs/dbraw/zinc/29/98/61/529299861.db2.gz HZWLPPIHHQAMFC-SECBINFHSA-N 0 0 320.190 3.352 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194861731 529300198 /nfs/dbraw/zinc/30/01/98/529300198.db2.gz IVPOFJBXXLKVAV-SNVBAGLBSA-N 0 0 302.708 3.277 10 30 DGEERN Clc1ccc(C#CCN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152205770 546000386 /nfs/dbraw/zinc/00/03/86/546000386.db2.gz LMLANDARUHSDPV-GOSISDBHSA-N 0 0 312.800 3.240 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)c1ccc3c(c1)COC3)CCC2 ZINC000328806845 546481481 /nfs/dbraw/zinc/48/14/81/546481481.db2.gz MAKPGKUJCXDHCY-AWEZNQCLSA-N 0 0 311.385 3.104 10 30 DGEERN COc1c(Cl)cccc1NC(=O)N1CC2(C1)CCCOC2 ZINC000329558490 546487856 /nfs/dbraw/zinc/48/78/56/546487856.db2.gz LORZQJKINIVAKS-UHFFFAOYSA-N 0 0 310.781 3.007 10 30 DGEERN Cc1c(CC(=O)N[C@@H]2CCC[C@@H]2C#N)nnn1-c1ccc(C)cc1 ZINC000330037697 546494618 /nfs/dbraw/zinc/49/46/18/546494618.db2.gz DLCWQWVWAAHMHL-GDBMZVCRSA-N 0 0 323.400 3.075 10 30 DGEERN C[C@@]12CN(C(=O)NCc3cccc(C#N)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333826924 546512635 /nfs/dbraw/zinc/51/26/35/546512635.db2.gz KTYVLGXEBKXZSA-NTDBWNAOSA-N 0 0 309.413 3.136 10 30 DGEERN CC(C)C1(c2ccccc2)CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000334117760 546516887 /nfs/dbraw/zinc/51/68/87/546516887.db2.gz IPVFUJRDZVLHHB-NVXWUHKLSA-N 0 0 311.429 3.298 10 30 DGEERN C=CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685962113 549810876 /nfs/dbraw/zinc/81/08/76/549810876.db2.gz UTOVPCUMDQBWKS-CZUORRHYSA-N 0 0 319.401 3.240 10 30 DGEERN C[C@H]1[C@H](O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@H](O)[C@]21C ZINC000004804637 560200021 /nfs/dbraw/zinc/20/00/21/560200021.db2.gz RYEZPKROXBMJEA-ZNNJTFIOSA-N 0 0 318.457 3.096 10 30 in-vitro DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000730428462 574528956 /nfs/dbraw/zinc/52/89/56/574528956.db2.gz DTJMDRRCRMQRSD-MFKMUULPSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)CC[C@H]2CCCO2)cc1 ZINC000730428452 574529023 /nfs/dbraw/zinc/52/90/23/574529023.db2.gz DORBALSPJJDZQQ-GDBMZVCRSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@H](C)OCC2CC2)cc1 ZINC000730429234 574529092 /nfs/dbraw/zinc/52/90/92/574529092.db2.gz JAJAVSZMJFUTPL-KGLIPLIRSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)COC2CCCC2)cc1 ZINC000730424886 574529255 /nfs/dbraw/zinc/52/92/55/574529255.db2.gz DEOPDWCGUKYYPL-CQSZACIVSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1cccc(OC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000730497690 574530343 /nfs/dbraw/zinc/53/03/43/574530343.db2.gz LUDMQZOIKJMILE-MOPGFXCFSA-N 0 0 322.360 3.416 10 30 DGEERN C#CCOc1ccccc1OC(=O)COc1cccc(CC)c1 ZINC000730511055 574530883 /nfs/dbraw/zinc/53/08/83/574530883.db2.gz AALZNBWPVHMJDQ-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)c2cc(C)nn2CC)c1 ZINC000730702464 574534360 /nfs/dbraw/zinc/53/43/60/574534360.db2.gz GDZRESVYTFRBLP-CQSZACIVSA-N 0 0 312.369 3.141 10 30 DGEERN C#CCOc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000730996624 574541080 /nfs/dbraw/zinc/54/10/80/574541080.db2.gz VZGITVXLROMEEC-UHFFFAOYSA-N 0 0 321.423 3.178 10 30 DGEERN CCCCC1CCC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000732652385 574577992 /nfs/dbraw/zinc/57/79/92/574577992.db2.gz YPMDRXVBFARBTJ-LEOMRAHMSA-N 0 0 317.477 3.182 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCc1csc(C)n1 ZINC000733104964 574597989 /nfs/dbraw/zinc/59/79/89/574597989.db2.gz RREFJBAFVCKQOV-UHFFFAOYSA-N 0 0 301.367 3.002 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000741681462 574606226 /nfs/dbraw/zinc/60/62/26/574606226.db2.gz MTROJIFBBBJINV-GOSISDBHSA-N 0 0 310.401 3.145 10 30 DGEERN C#CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000733246690 574609800 /nfs/dbraw/zinc/60/98/00/574609800.db2.gz QCGCLQJCWNENJF-UHFFFAOYSA-N 0 0 323.421 3.457 10 30 DGEERN C#CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000733247543 574610081 /nfs/dbraw/zinc/61/00/81/574610081.db2.gz RHPNQRUIIOYFSV-UHFFFAOYSA-N 0 0 321.405 3.354 10 30 DGEERN N#Cc1cccc(CNCc2nc(-c3ccncc3)cs2)c1 ZINC000733331847 574617119 /nfs/dbraw/zinc/61/71/19/574617119.db2.gz JRHXUBJZMDMPDY-UHFFFAOYSA-N 0 0 306.394 3.367 10 30 DGEERN C#CCCNC(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000733356009 574617619 /nfs/dbraw/zinc/61/76/19/574617619.db2.gz HZLXJQFGBHJRFL-SFHVURJKSA-N 0 0 308.381 3.107 10 30 DGEERN C#CCCNC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000733622216 574632027 /nfs/dbraw/zinc/63/20/27/574632027.db2.gz WHBCRSJBYLFNHN-UHFFFAOYSA-N 0 0 321.380 3.392 10 30 DGEERN C#CCCNC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000733632484 574632639 /nfs/dbraw/zinc/63/26/39/574632639.db2.gz AZCRVFXNCJPIKV-UHFFFAOYSA-N 0 0 306.234 3.486 10 30 DGEERN C#CCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000733674334 574633710 /nfs/dbraw/zinc/63/37/10/574633710.db2.gz SMDPPAPEHJNDDY-UHFFFAOYSA-N 0 0 320.352 3.180 10 30 DGEERN C=C(CSc1nc2cc(Cl)ccc2n1C)C(=O)OCC ZINC000733870152 574641180 /nfs/dbraw/zinc/64/11/80/574641180.db2.gz ZDVXSRYDAJOOOF-UHFFFAOYSA-N 0 0 310.806 3.438 10 30 DGEERN C=C(COC(=O)/C=C\c1cc(C)c(C)cc1C)C(=O)OCC ZINC000734027290 574647389 /nfs/dbraw/zinc/64/73/89/574647389.db2.gz QIONKYRPMUPICC-FPLPWBNLSA-N 0 0 302.370 3.288 10 30 DGEERN C=C(COC(=O)c1ccc(C)c(-n2cccc2)c1)C(=O)OCC ZINC000734026051 574647456 /nfs/dbraw/zinc/64/74/56/574647456.db2.gz FHXNTZTVRLGYAD-UHFFFAOYSA-N 0 0 313.353 3.062 10 30 DGEERN C=C(COC(=O)CCc1ccc2ccccc2c1)C(=O)OCC ZINC000734028457 574647523 /nfs/dbraw/zinc/64/75/23/574647523.db2.gz CASCHXPEIVTXAF-UHFFFAOYSA-N 0 0 312.365 3.435 10 30 DGEERN C=C(COC(=O)c1ccc(OC2CCCC2)cc1)C(=O)OCC ZINC000734029840 574647889 /nfs/dbraw/zinc/64/78/89/574647889.db2.gz YIPKAXRPPFHZPH-UHFFFAOYSA-N 0 0 318.369 3.284 10 30 DGEERN C=C(COC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC ZINC000734023739 574648371 /nfs/dbraw/zinc/64/83/71/574648371.db2.gz ASGAEXBWVCKTJY-UHFFFAOYSA-N 0 0 303.141 3.270 10 30 DGEERN C[C@@H](OCC1CC1)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735347013 574699167 /nfs/dbraw/zinc/69/91/67/574699167.db2.gz FXGPOQXYTUUUTL-LLVKDONJSA-N 0 0 323.776 3.101 10 30 DGEERN C=CCCO[C@@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735346996 574699276 /nfs/dbraw/zinc/69/92/76/574699276.db2.gz FFDSYVFCDSBSLZ-LBPRGKRZSA-N 0 0 323.776 3.267 10 30 DGEERN C#Cc1cccc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)c1 ZINC000735649667 574710702 /nfs/dbraw/zinc/71/07/02/574710702.db2.gz HFQIHYSGPCPCMG-UHFFFAOYSA-N 0 0 320.348 3.419 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cc(OC)ccn1 ZINC000735910789 574720509 /nfs/dbraw/zinc/72/05/09/574720509.db2.gz BNMYJHNTWNXINT-UHFFFAOYSA-N 0 0 313.353 3.437 10 30 DGEERN C=CCCCN(C)Cn1nnn(-c2ccc(C)cc2C)c1=S ZINC000736589622 574759740 /nfs/dbraw/zinc/75/97/40/574759740.db2.gz KXHVJZIYAUEDKW-UHFFFAOYSA-N 0 0 317.462 3.271 10 30 DGEERN C=CCOc1ccc(C(=O)OCCn2ncc3ccccc32)cc1 ZINC000737356248 574840266 /nfs/dbraw/zinc/84/02/66/574840266.db2.gz YYQMRBOXCHJBRF-UHFFFAOYSA-N 0 0 322.364 3.458 10 30 DGEERN c1[nH]c(-c2ccccc2)nc1CN=Nc1nncc2ccccc21 ZINC000741452853 574958088 /nfs/dbraw/zinc/95/80/88/574958088.db2.gz IGOPAVNFLNZHOL-UHFFFAOYSA-N 0 0 314.352 3.466 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000741565229 574963068 /nfs/dbraw/zinc/96/30/68/574963068.db2.gz SGNDINRCSJIMKD-IFXJQAMLSA-N 0 0 305.377 3.362 10 30 DGEERN C=C(C)CNC(=S)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000741506541 574960432 /nfs/dbraw/zinc/96/04/32/574960432.db2.gz HRBJOOOZRMHAIW-IUODEOHRSA-N 0 0 308.422 3.038 10 30 DGEERN C/C(=C/C(=O)NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000741970948 574978330 /nfs/dbraw/zinc/97/83/30/574978330.db2.gz BHDUHRDUIVJNRK-OWBHPGMISA-N 0 0 324.355 3.296 10 30 DGEERN C#CCN(CC#CC)C(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000742001241 574978943 /nfs/dbraw/zinc/97/89/43/574978943.db2.gz VLQRXFMDRGWBJG-SFHVURJKSA-N 0 0 311.425 3.453 10 30 DGEERN C#CCOc1cc(F)ccc1NCC(=O)Nc1cccc(C)c1 ZINC000742260209 574988535 /nfs/dbraw/zinc/98/85/35/574988535.db2.gz AKRNJWKCJHICIN-UHFFFAOYSA-N 0 0 312.344 3.197 10 30 DGEERN C#CCOc1ccccc1CNc1cc(C#N)nc2ccccc21 ZINC000742407616 574997079 /nfs/dbraw/zinc/99/70/79/574997079.db2.gz JGLGPWLYCRZLHA-UHFFFAOYSA-N 0 0 313.360 3.152 10 30 DGEERN C#CCCCNC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000742784487 575018944 /nfs/dbraw/zinc/01/89/44/575018944.db2.gz XWZRBAYGKDYCNF-FQEVSTJZSA-N 0 0 318.420 3.320 10 30 DGEERN C#Cc1ccc(C(=O)OCc2csc(Br)c2)cn1 ZINC000729031077 575211016 /nfs/dbraw/zinc/21/10/16/575211016.db2.gz CYBNSVDYFVGWLR-UHFFFAOYSA-N 0 0 322.183 3.244 10 30 DGEERN C=CCCOC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000729073397 575213977 /nfs/dbraw/zinc/21/39/77/575213977.db2.gz XAIJZMLKGFMFSE-UHFFFAOYSA-N 0 0 312.341 3.470 10 30 DGEERN Cc1cccc2c1CCC2=NNc1ccc(S(C)(=O)=O)cc1 ZINC000729142138 575219365 /nfs/dbraw/zinc/21/93/65/575219365.db2.gz MVVOLIJCYUCVMM-UHFFFAOYSA-N 0 0 314.410 3.161 10 30 DGEERN Cc1cccc(NC(=S)NN=Cc2cnn3ccccc23)c1C ZINC000729632703 575258387 /nfs/dbraw/zinc/25/83/87/575258387.db2.gz FVLIOPRDZSXMQW-UHFFFAOYSA-N 0 0 323.425 3.272 10 30 DGEERN C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc(C#N)cc1F ZINC000729821044 575264151 /nfs/dbraw/zinc/26/41/51/575264151.db2.gz DFZABMAQTXRGKY-ABAIWWIYSA-N 0 0 305.422 3.240 10 30 DGEERN C(=Nn1cnnc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000725855580 575933873 /nfs/dbraw/zinc/93/38/73/575933873.db2.gz BOPBQDAMABXPPX-UHFFFAOYSA-N 0 0 314.352 3.013 10 30 DGEERN C#CCCCOC(=O)c1cccc(OCc2cscn2)c1 ZINC000727040623 576097099 /nfs/dbraw/zinc/09/70/99/576097099.db2.gz MDSIVWMXYKCQDP-UHFFFAOYSA-N 0 0 301.367 3.292 10 30 DGEERN CN(C1CCCCCCC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000728589519 576189527 /nfs/dbraw/zinc/18/95/27/576189527.db2.gz KHGQVRKBBYBCBE-UHFFFAOYSA-N 0 0 324.421 3.431 10 30 DGEERN Cc1cc(C)c(C)c(OS(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000728578269 576189778 /nfs/dbraw/zinc/18/97/78/576189778.db2.gz YMPJHZFYSDSGMD-UHFFFAOYSA-N 0 0 319.357 3.390 10 30 DGEERN CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)SC ZINC000728766877 576199559 /nfs/dbraw/zinc/19/95/59/576199559.db2.gz OFZYDIDWYPBLRL-BXUZGUMPSA-N 0 0 318.442 3.210 10 30 DGEERN C=C[C@@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000154137295 620642382 /nfs/dbraw/zinc/64/23/82/620642382.db2.gz WXWVLJSOUKCOPO-GFCCVEGCSA-N 0 0 304.390 3.016 10 30 DGEERN Cc1ccc2c(c1)OCCN2C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000154771039 620716669 /nfs/dbraw/zinc/71/66/69/620716669.db2.gz QYIAPYZTJBITBX-CQSZACIVSA-N 0 0 322.364 3.060 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)Cc1cccc(CC)c1 ZINC000154788545 620719686 /nfs/dbraw/zinc/71/96/86/620719686.db2.gz XZOICWUIDOBKJV-UHFFFAOYSA-N 0 0 322.408 3.346 10 30 DGEERN COc1cccc(/C=N/[C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000155093503 620766932 /nfs/dbraw/zinc/76/69/32/620766932.db2.gz MHLIEDJWGADSBI-OTGIAGGSSA-N 0 0 322.368 3.162 10 30 DGEERN CC(=O)CCN(C)C(=O)c1ccccc1-c1ccccc1C#N ZINC000135587335 618010993 /nfs/dbraw/zinc/01/09/93/618010993.db2.gz MTGLBDCRVOQUKA-UHFFFAOYSA-N 0 0 306.365 3.276 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](C#N)C(C)(C)C ZINC000154376355 618091140 /nfs/dbraw/zinc/09/11/40/618091140.db2.gz UHZBYIZCMZGPGK-HNNXBMFYSA-N 0 0 305.422 3.180 10 30 DGEERN C#Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)nc1 ZINC000729008431 619098438 /nfs/dbraw/zinc/09/84/38/619098438.db2.gz CJCOQNFKZXGXGQ-LBPRGKRZSA-N 0 0 319.320 3.031 10 30 DGEERN C#C[C@@H](OC(=O)[C@@H](C)Oc1cccc(Br)c1)C1CC1 ZINC000152399095 620504630 /nfs/dbraw/zinc/50/46/30/620504630.db2.gz KDZAYUVKXOOPPX-QMTHXVAHSA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@H](OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C1CC1 ZINC000152710273 620519158 /nfs/dbraw/zinc/51/91/58/620519158.db2.gz UVNFGCSXVIKCDJ-GWCFXTLKSA-N 0 0 312.287 3.428 10 30 DGEERN C#C[C@H](OC(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1 ZINC000152767843 620521827 /nfs/dbraw/zinc/52/18/27/620521827.db2.gz CTWZPCFFEUCXLP-HNNXBMFYSA-N 0 0 300.745 3.094 10 30 DGEERN C#C[C@H](OC(=O)CCCOc1cccc(C(C)=O)c1)C1CC1 ZINC000152857511 620525865 /nfs/dbraw/zinc/52/58/65/620525865.db2.gz VYBYHQHOBPAQRB-KRWDZBQOSA-N 0 0 300.354 3.003 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H]1COc2ccccc21 ZINC000153106744 620533923 /nfs/dbraw/zinc/53/39/23/620533923.db2.gz RXZQQYXYIXSILS-PXAZEXFGSA-N 0 0 309.321 3.002 10 30 DGEERN C#CC[C@H](OC(=O)CCc1ccccc1OC)c1ccccn1 ZINC000113663146 620935567 /nfs/dbraw/zinc/93/55/67/620935567.db2.gz ZKYFXVIYRLXLLH-SFHVURJKSA-N 0 0 309.365 3.331 10 30 DGEERN N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1 ZINC000114998012 621071796 /nfs/dbraw/zinc/07/17/96/621071796.db2.gz ILKPVKCFJZDSEK-UHFFFAOYSA-N 0 0 306.369 3.196 10 30 DGEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C=CC(C)(C)C ZINC000117083446 621350905 /nfs/dbraw/zinc/35/09/05/621350905.db2.gz NNLFZSWMYCBBLH-OCHBPSSRSA-N 0 0 314.385 3.335 10 30 DGEERN C#CCCCOC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000119641255 621711666 /nfs/dbraw/zinc/71/16/66/621711666.db2.gz UMFJXTWKFOPFNB-UHFFFAOYSA-N 0 0 321.376 3.040 10 30 DGEERN C#CCN(C(=O)N[C@@H]1CCCOc2ccccc21)C1CCCC1 ZINC000119853417 621738049 /nfs/dbraw/zinc/73/80/49/621738049.db2.gz QQRDZGGAPYFQSY-QGZVFWFLSA-N 0 0 312.413 3.488 10 30 DGEERN COc1ccccc1N=C1NN=C(c2ccc(C#N)cc2)CS1 ZINC000015405318 621844945 /nfs/dbraw/zinc/84/49/45/621844945.db2.gz JGFMAWPHOSXQIG-UHFFFAOYSA-N 0 0 322.393 3.486 10 30 DGEERN C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000120557937 621916396 /nfs/dbraw/zinc/91/63/96/621916396.db2.gz HINQHDUUCPYVNB-QAPCUYQASA-N 0 0 319.360 3.113 10 30 DGEERN C#CCN(C(=O)N[C@@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000120671189 621968108 /nfs/dbraw/zinc/96/81/08/621968108.db2.gz LNJJITAYPOWPSW-QGZVFWFLSA-N 0 0 300.377 3.400 10 30 DGEERN Cc1nn(C)cc1/C=C/C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000121111649 622131769 /nfs/dbraw/zinc/13/17/69/622131769.db2.gz CPNXVXNTVIWALY-ZHACJKMWSA-N 0 0 320.396 3.427 10 30 DGEERN O=S(=O)(Cc1ccc(Cl)cc1Cl)OCC(F)(F)F ZINC000129215112 625559379 /nfs/dbraw/zinc/55/93/79/625559379.db2.gz SEFJOANRCKOWEJ-UHFFFAOYSA-N 0 0 323.119 3.402 10 30 DGEERN C=C(Br)CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129332355 625592761 /nfs/dbraw/zinc/59/27/61/625592761.db2.gz RTFNSCOKHAZUJM-AWEZNQCLSA-N 0 0 314.198 3.416 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1-c1ccc(F)cc1 ZINC000123921659 622775522 /nfs/dbraw/zinc/77/55/22/622775522.db2.gz IKPMANLJTCEHHZ-UHFFFAOYSA-N 0 0 322.343 3.184 10 30 DGEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C#N)cc2C)c1 ZINC000129416052 625623442 /nfs/dbraw/zinc/62/34/42/625623442.db2.gz FSFFSSKZVYTUSU-KRWDZBQOSA-N 0 0 317.348 3.136 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1ccccn1 ZINC000124622135 623206332 /nfs/dbraw/zinc/20/63/32/623206332.db2.gz COEKBMMXWPPZRI-OAHLLOKOSA-N 0 0 309.365 3.331 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1cccnc1 ZINC000124618750 623206472 /nfs/dbraw/zinc/20/64/72/623206472.db2.gz NDHFQXUGGWUOOM-HNNXBMFYSA-N 0 0 309.365 3.331 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccc(C)o2)cc2c1OCCO2 ZINC000209437372 623551212 /nfs/dbraw/zinc/55/12/12/623551212.db2.gz DYQLNZKDYZMUIT-PLNGDYQASA-N 0 0 300.310 3.264 10 30 DGEERN CCCC[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000126615425 623964222 /nfs/dbraw/zinc/96/42/22/623964222.db2.gz ARBWPBHNTURXMH-CYBMUJFWSA-N 0 0 305.422 3.468 10 30 DGEERN C=CC1CCN(C(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000127013001 624234111 /nfs/dbraw/zinc/23/41/11/624234111.db2.gz RJCOJVVREQMDGJ-OAHLLOKOSA-N 0 0 322.449 3.058 10 30 DGEERN COC(=O)CCCCCCCNC(=O)c1ccc(C#N)cc1C ZINC000130207351 625828072 /nfs/dbraw/zinc/82/80/72/625828072.db2.gz VAQJDFKAACURCN-UHFFFAOYSA-N 0 0 316.401 3.110 10 30 DGEERN CC(=O)CCc1ccc(OCC(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000130580833 625877190 /nfs/dbraw/zinc/87/71/90/625877190.db2.gz TVOYEGMLNVBRSW-AWEZNQCLSA-N 0 0 317.385 3.068 10 30 DGEERN COc1cccc(CO[C@H](C)C(=O)O[C@H](C)C(C)(C)C#N)c1 ZINC000130621694 625880620 /nfs/dbraw/zinc/88/06/20/625880620.db2.gz BSUPIUAAPWNNML-CHWSQXEVSA-N 0 0 305.374 3.082 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@H](C)C(C)(C)C#N)c(OC)c1 ZINC000130661577 625885904 /nfs/dbraw/zinc/88/59/04/625885904.db2.gz WAYCLLUMKCQBFP-CYBMUJFWSA-N 0 0 317.385 3.284 10 30 DGEERN C[C@@H](OC(=O)c1ccnc(OCC(F)(F)F)c1)C(C)(C)C#N ZINC000131121639 625947883 /nfs/dbraw/zinc/94/78/83/625947883.db2.gz ZCMSZOAFBPZVFE-SECBINFHSA-N 0 0 316.279 3.118 10 30 DGEERN COc1ccc(OCCCC(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000131724432 626674297 /nfs/dbraw/zinc/67/42/97/626674297.db2.gz XFBHUDGMFCCIMP-ZDUSSCGKSA-N 0 0 305.374 3.336 10 30 DGEERN COC(=O)/C=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000029301723 626780346 /nfs/dbraw/zinc/78/03/46/626780346.db2.gz KLGYSPFPGRFKKC-CSKARUKUSA-N 0 0 323.348 3.332 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1cc(C)nn1CC ZINC000133598254 626818826 /nfs/dbraw/zinc/81/88/26/626818826.db2.gz MPFIIMHBJWUATF-UHFFFAOYSA-N 0 0 300.358 3.168 10 30 DGEERN C=C[C@H](C)NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000133631313 626829289 /nfs/dbraw/zinc/82/92/89/626829289.db2.gz COUQUCFPRYZXRV-LBPRGKRZSA-N 0 0 316.401 3.289 10 30 DGEERN C#C[C@@H](OC(=O)CCC(=O)CCC(=O)c1cccs1)C1CC1 ZINC000133980974 626848867 /nfs/dbraw/zinc/84/88/67/626848867.db2.gz PVODDOZUVGVUPJ-OAHLLOKOSA-N 0 0 318.394 3.015 10 30 DGEERN C#CCOc1ccccc1OC(=O)Cc1cccc(F)c1F ZINC000134193061 626862697 /nfs/dbraw/zinc/86/26/97/626862697.db2.gz PZBWEVGHQJAHDC-UHFFFAOYSA-N 0 0 302.276 3.125 10 30 DGEERN C=CCc1ccccc1OC(=O)CCNC(=O)C1CCCCC1 ZINC000102117335 629939051 /nfs/dbraw/zinc/93/90/51/629939051.db2.gz PFKSKQSJYPWPQB-UHFFFAOYSA-N 0 0 315.413 3.407 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000121483840 630341628 /nfs/dbraw/zinc/34/16/28/630341628.db2.gz OLCSJHBQIHXPIT-AWEZNQCLSA-N 0 0 321.398 3.152 10 30 DGEERN C=CCn1c(C)nn(CN(CCC)C[C@@H]2CCCCO2)c1=S ZINC000106856143 631475491 /nfs/dbraw/zinc/47/54/91/631475491.db2.gz HYXNOPMPCARZPS-HNNXBMFYSA-N 0 0 324.494 3.147 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000108516617 631904099 /nfs/dbraw/zinc/90/40/99/631904099.db2.gz BKZTZNLAPNSJEZ-ROUUACIJSA-N 0 0 306.365 3.376 10 30 DGEERN Cc1cc(C(=O)N[C@H](C#N)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000108828699 631946403 /nfs/dbraw/zinc/94/64/03/631946403.db2.gz AJCBRPSLWVJLOE-QGZVFWFLSA-N 0 0 311.360 3.265 10 30 DGEERN N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)C3CC3)c2)cc1 ZINC000109373777 632184213 /nfs/dbraw/zinc/18/42/13/632184213.db2.gz PHNDVIIONKBWQG-UHFFFAOYSA-N 0 0 321.332 3.486 10 30 DGEERN CC(C)(CC#N)COC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000184823962 660189362 /nfs/dbraw/zinc/18/93/62/660189362.db2.gz OMZYOQVKKGQVSR-MRXNPFEDSA-N 0 0 317.385 3.341 10 30 DGEERN C#C[C@@H](C)NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000185335477 660215593 /nfs/dbraw/zinc/21/55/93/660215593.db2.gz UZFVQZNZUMFBHC-SSDOTTSWSA-N 0 0 312.316 3.375 10 30 DGEERN C#CCCCCCOC(=O)c1cccnc1OCC(F)(F)F ZINC000185339574 660215748 /nfs/dbraw/zinc/21/57/48/660215748.db2.gz GMYSCTHCHWRNSQ-UHFFFAOYSA-N 0 0 315.291 3.373 10 30 DGEERN C#CCC(C)(C)C(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000185539964 660228793 /nfs/dbraw/zinc/22/87/93/660228793.db2.gz LCVBPOYVHGNLNP-UHFFFAOYSA-N 0 0 300.358 3.159 10 30 DGEERN COc1cccc(/C=N/Cc2ncc(-c3ccccc3)cn2)c1O ZINC000185480744 660224784 /nfs/dbraw/zinc/22/47/84/660224784.db2.gz LYAOYLILUOARBN-KEBDBYFISA-N 0 0 319.364 3.477 10 30 DGEERN C#CCC(C)(C)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000185615019 660233751 /nfs/dbraw/zinc/23/37/51/660233751.db2.gz PRUWGNBIWTXMFH-UHFFFAOYSA-N 0 0 308.385 3.337 10 30 DGEERN C=CCc1cc(C(=O)OCC(F)(F)F)cc(OC)c1OC ZINC000073001691 660235130 /nfs/dbraw/zinc/23/51/30/660235130.db2.gz DIBCXTMCGBUWEU-UHFFFAOYSA-N 0 0 304.264 3.151 10 30 DGEERN C#CC(C)(C)NC(=O)/C=C\c1ccc(C)cc1Br ZINC000700593035 660630205 /nfs/dbraw/zinc/63/02/05/660630205.db2.gz PUUPWFWLNZLMFB-HJWRWDBZSA-N 0 0 306.203 3.299 10 30 DGEERN C#C[C@@H](NC(=O)/C=C\c1ccc(Br)o1)C(C)(C)C ZINC000702225315 660716781 /nfs/dbraw/zinc/71/67/81/660716781.db2.gz WVVRNAHAIFVRPC-GXMKHXEJSA-N 0 0 310.191 3.219 10 30 DGEERN C#C[C@H](NCc1snc(OC)c1Br)C(C)(C)C ZINC000702246128 660716880 /nfs/dbraw/zinc/71/68/80/660716880.db2.gz MKJNZTRJPGAMBK-VIFPVBQESA-N 0 0 317.252 3.052 10 30 DGEERN C=CCC[C@@H](CO)Nc1nc2cc(Br)ccc2o1 ZINC000705844894 660838731 /nfs/dbraw/zinc/83/87/31/660838731.db2.gz KUWBGEJIBAXICN-JTQLQIEISA-N 0 0 311.179 3.329 10 30 DGEERN N#Cc1ccc(N[C@@H]2COC3(CCC3)C2)c(Br)c1 ZINC000711152749 660940360 /nfs/dbraw/zinc/94/03/60/660940360.db2.gz HFTIGCBEQNCOTL-NSHDSACASA-N 0 0 307.191 3.444 10 30 DGEERN C#CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000187229192 655543741 /nfs/dbraw/zinc/54/37/41/655543741.db2.gz CMMIUVGGADQSTL-UHFFFAOYSA-N 0 0 310.309 3.168 10 30 DGEERN C#CCOc1ccccc1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000187230000 655543756 /nfs/dbraw/zinc/54/37/56/655543756.db2.gz IZNJQMWKVOQTOT-UHFFFAOYSA-N 0 0 319.320 3.001 10 30 DGEERN N#Cc1ccc(C2(C(=O)OCC#Cc3ccccc3)CC2)cc1 ZINC000187318721 655544449 /nfs/dbraw/zinc/54/44/49/655544449.db2.gz NJLQNJQIYDTYCH-UHFFFAOYSA-N 0 0 301.345 3.185 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C\c2ccccc2)cc1F ZINC000254926759 655544712 /nfs/dbraw/zinc/54/47/12/655544712.db2.gz ABVULLCWIUUNRK-HJWRWDBZSA-N 0 0 303.314 3.077 10 30 DGEERN C=C[C@@H](C)OC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000187512085 655550326 /nfs/dbraw/zinc/55/03/26/655550326.db2.gz WLBOKBGFZJKTAF-LLVKDONJSA-N 0 0 319.382 3.462 10 30 DGEERN C=C[C@@H](C)OC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000187520354 655550624 /nfs/dbraw/zinc/55/06/24/655550624.db2.gz QSHACXUTBBMDIK-SECBINFHSA-N 0 0 311.263 3.017 10 30 DGEERN C=C[C@@H](C)OC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000187590973 655552313 /nfs/dbraw/zinc/55/23/13/655552313.db2.gz OWBFITMUCYFQNZ-LLVKDONJSA-N 0 0 313.382 3.278 10 30 DGEERN C#CC[C@H](OC(=O)CCCCOc1cccc(C#N)c1)C1CC1 ZINC000175343745 655573790 /nfs/dbraw/zinc/57/37/90/655573790.db2.gz JCPZABXHNIUYDC-SFHVURJKSA-N 0 0 311.381 3.452 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000121169295 655625987 /nfs/dbraw/zinc/62/59/87/655625987.db2.gz CJJKDTMGMMUWSH-UHFFFAOYSA-N 0 0 305.255 3.309 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nnc(-c2ccccc2)o1)C(C)C ZINC000177716638 655628320 /nfs/dbraw/zinc/62/83/20/655628320.db2.gz HQTLHSVVTKFSLX-HNNXBMFYSA-N 0 0 312.369 3.260 10 30 DGEERN C=C[C@@H](C)OC(=O)COc1ccccc1OCC(F)(F)F ZINC000187576556 655663140 /nfs/dbraw/zinc/66/31/40/655663140.db2.gz AYFJKBSEIHMAQY-SNVBAGLBSA-N 0 0 304.264 3.124 10 30 DGEERN COc1ccc(/C=C\C(=O)c2ccc(F)c(OC)c2)cc1O ZINC000255296738 655689183 /nfs/dbraw/zinc/68/91/83/655689183.db2.gz SRFSBODZIORQIC-CLTKARDFSA-N 0 0 302.301 3.445 10 30 DGEERN CC(=NOCc1coc(-c2ccc(F)cc2)n1)c1cnn(C)c1 ZINC000255306946 655695459 /nfs/dbraw/zinc/69/54/59/655695459.db2.gz WJDNMQYMQUJPQY-UHFFFAOYSA-N 0 0 314.320 3.155 10 30 DGEERN C=CCc1ccccc1OC(=O)CN(C)C(=O)c1cccs1 ZINC000069837237 655703818 /nfs/dbraw/zinc/70/38/18/655703818.db2.gz BCKTXOSOOVBNGL-UHFFFAOYSA-N 0 0 315.394 3.154 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cccc(O[C@H](C#N)CC)c1 ZINC000076975711 655704284 /nfs/dbraw/zinc/70/42/84/655704284.db2.gz VQWRAXBJECBKFY-INIZCTEOSA-N 0 0 315.417 3.475 10 30 DGEERN N#CCC1(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000176154164 655738345 /nfs/dbraw/zinc/73/83/45/655738345.db2.gz RGWVMSRDZNYGJF-UHFFFAOYSA-N 0 0 323.352 3.465 10 30 DGEERN CCC(C)(C)NC(=O)CON=C(C)CCc1ccc(OC)cc1 ZINC000255514519 655783708 /nfs/dbraw/zinc/78/37/08/655783708.db2.gz MITLCHYFPOVXGN-UHFFFAOYSA-N 0 0 320.433 3.325 10 30 DGEERN N#C[C@H](NS(=O)(=O)/C=C\c1ccccc1)C1CCCCC1 ZINC000255541372 655793353 /nfs/dbraw/zinc/79/33/53/655793353.db2.gz IJELVSKSMIDNPU-JNSOCZORSA-N 0 0 304.415 3.049 10 30 DGEERN C#CCOc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1 ZINC000155626275 655809694 /nfs/dbraw/zinc/80/96/94/655809694.db2.gz RWCKEVLXCUXKKS-UHFFFAOYSA-N 0 0 322.408 3.147 10 30 DGEERN C#CC[C@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1CC1 ZINC000156463325 655812984 /nfs/dbraw/zinc/81/29/84/655812984.db2.gz DAFQUSZTGMKOLC-GJZGRUSLSA-N 0 0 321.417 3.025 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)CCc1cccc(Br)c1 ZINC000176797354 655828761 /nfs/dbraw/zinc/82/87/61/655828761.db2.gz PKYMSVSOUPFXJF-CYBMUJFWSA-N 0 0 310.191 3.473 10 30 DGEERN N#Cc1cc(Br)cnc1N[C@@H](CCO)C1CCCC1 ZINC000725035298 655847670 /nfs/dbraw/zinc/84/76/70/655847670.db2.gz YNVLHHSBSMURTG-ZDUSSCGKSA-N 0 0 324.222 3.069 10 30 DGEERN C=CCC[C@H](OC(=O)Cc1ccc(NC(C)=O)cc1)C1CC1 ZINC000159617571 655849092 /nfs/dbraw/zinc/84/90/92/655849092.db2.gz LQEASOKXFBBBTC-KRWDZBQOSA-N 0 0 301.386 3.476 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1c(C)nn(C(F)F)c1C)C(C)(C)C ZINC000159761193 655850996 /nfs/dbraw/zinc/85/09/96/655850996.db2.gz ZTYWDQFGVSHJQX-CYBMUJFWSA-N 0 0 312.360 3.419 10 30 DGEERN CCCCCCCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000158854700 655854959 /nfs/dbraw/zinc/85/49/59/655854959.db2.gz YBWFRSMKJNSCGW-JKSUJKDBSA-N 0 0 323.433 3.291 10 30 DGEERN CCOc1cc2c(cc1/C=C\C(=O)O[C@H](C#N)CC)O[C@@H](C)C2 ZINC000255638554 655885778 /nfs/dbraw/zinc/88/57/78/655885778.db2.gz KSVUGDRUCLJFKX-KYXSFKEXSA-N 0 0 315.369 3.267 10 30 DGEERN N#C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C1CC1 ZINC000177010852 655886325 /nfs/dbraw/zinc/88/63/25/655886325.db2.gz BSGJGJCHAFINCN-IHRRRGAJSA-N 0 0 320.186 3.398 10 30 DGEERN C[C@H](Oc1ccc(Br)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000177035880 655889710 /nfs/dbraw/zinc/88/97/10/655889710.db2.gz VHCDAGAORUJPDB-ZANVPECISA-N 0 0 324.174 3.062 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3cccc([N+](=O)[O-])c3)n2c1 ZINC000255780048 655906452 /nfs/dbraw/zinc/90/64/52/655906452.db2.gz ZZOFTKMIFFQQEE-WAYWQWQTSA-N 0 0 318.292 3.010 10 30 DGEERN Oc1ccc(/C=N\CCCCOCc2ccccc2)c(O)c1O ZINC000255841833 655910899 /nfs/dbraw/zinc/91/08/99/655910899.db2.gz DNLLSCGOBACIPU-UNOMPAQXSA-N 0 0 315.369 3.219 10 30 DGEERN Cn1cc(C(=O)/C=C\c2cccc(OCC(F)(F)F)c2)cn1 ZINC000255844000 655911288 /nfs/dbraw/zinc/91/12/88/655911288.db2.gz ISDPZBHJBNIGLI-WAYWQWQTSA-N 0 0 310.275 3.257 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@@H]2CCCN(C(=O)CC)C2)CC1 ZINC000177693580 655940234 /nfs/dbraw/zinc/94/02/34/655940234.db2.gz BDRZDVKKWNIGJW-IAGOWNOFSA-N 0 0 319.445 3.481 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nnc(-c2ccccc2)o1)C(C)C ZINC000177716629 655942280 /nfs/dbraw/zinc/94/22/80/655942280.db2.gz HQTLHSVVTKFSLX-OAHLLOKOSA-N 0 0 312.369 3.260 10 30 DGEERN C#CC[C@@H](OC(=O)C1CCN(C(=O)OCC(C)C)CC1)C(C)C ZINC000177734911 655944101 /nfs/dbraw/zinc/94/41/01/655944101.db2.gz LVTZZWGNLAEAGB-MRXNPFEDSA-N 0 0 323.433 3.082 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000122775139 656083515 /nfs/dbraw/zinc/08/35/15/656083515.db2.gz RGXHMWCVWRJWQR-UHFFFAOYSA-N 0 0 321.760 3.278 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1cnc2c(C)cccn12 ZINC000182285875 656104593 /nfs/dbraw/zinc/10/45/93/656104593.db2.gz URZPWAYRCYCWQI-FNORWQNLSA-N 0 0 308.337 3.253 10 30 DGEERN COc1cccc([C@H](C)CC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183961657 656116330 /nfs/dbraw/zinc/11/63/30/656116330.db2.gz SNQCWCXBQNHCHU-CQSZACIVSA-N 0 0 317.385 3.052 10 30 DGEERN CC(C)(CC#N)COC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000184823941 656121646 /nfs/dbraw/zinc/12/16/46/656121646.db2.gz OMZYOQVKKGQVSR-INIZCTEOSA-N 0 0 317.385 3.341 10 30 DGEERN Cc1nc(/C=C/c2cocn2)sc1C(=O)/C=C/c1cocn1 ZINC000188046261 656143270 /nfs/dbraw/zinc/14/32/70/656143270.db2.gz BHYFVTDFVLEUJG-ZUVMSYQZSA-N 0 0 313.338 3.494 10 30 DGEERN CCc1oc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1C ZINC000162412430 656144395 /nfs/dbraw/zinc/14/43/95/656144395.db2.gz APWCBMGYCIMTDL-CQSZACIVSA-N 0 0 310.353 3.420 10 30 DGEERN Cc1c(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)ccn1C ZINC000194909951 656206434 /nfs/dbraw/zinc/20/64/34/656206434.db2.gz XFRQBTZFLFONND-AWEZNQCLSA-N 0 0 300.333 3.012 10 30 DGEERN CCN(C)C(=O)c1cccc(C(=O)OCC(C)(C)CCC#N)c1 ZINC000195043964 656208215 /nfs/dbraw/zinc/20/82/15/656208215.db2.gz NFIASLCWTXFBHY-UHFFFAOYSA-N 0 0 316.401 3.265 10 30 DGEERN CC(C)(CCC#N)COC(=O)CCc1ccc2c(c1)OCCO2 ZINC000195065096 656208290 /nfs/dbraw/zinc/20/82/90/656208290.db2.gz PGVOMRJREFBJJS-UHFFFAOYSA-N 0 0 317.385 3.264 10 30 DGEERN CCOc1ccccc1OCC(=O)OCC(C)(C)CCC#N ZINC000195068974 656208432 /nfs/dbraw/zinc/20/84/32/656208432.db2.gz SWGOPIFFRJFHLI-UHFFFAOYSA-N 0 0 305.374 3.337 10 30 DGEERN CC(C)n1cc2cc(NC(=O)N[C@H]3CCC[C@@H]3C#N)ccc2n1 ZINC000332900535 656249559 /nfs/dbraw/zinc/24/95/59/656249559.db2.gz OAASBULCEIHDFU-DOMZBBRYSA-N 0 0 311.389 3.431 10 30 DGEERN O=c1[nH]c2ccccc2cc1/C=N/[C@H]1CCOc2ccccc21 ZINC000027067489 656265212 /nfs/dbraw/zinc/26/52/12/656265212.db2.gz GBJMTTNHYFKIJP-RONKMWSCSA-N 0 0 304.349 3.471 10 30 DGEERN CCCN(CCC)c1ccc(CN2CCO[C@@H](C#N)C2)cc1 ZINC000093136133 656268449 /nfs/dbraw/zinc/26/84/49/656268449.db2.gz ROIXJTCEDHTSEB-SFHVURJKSA-N 0 0 301.434 3.037 10 30 DGEERN C#CCCCCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094084843 656453061 /nfs/dbraw/zinc/45/30/61/656453061.db2.gz FXDWFHCNIPFTNQ-UHFFFAOYSA-N 0 0 301.386 3.175 10 30 DGEERN CCc1cccc(CC(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000178504318 656503304 /nfs/dbraw/zinc/50/33/04/656503304.db2.gz VITZOWQVSHFXMF-UHFFFAOYSA-N 0 0 308.381 3.010 10 30 DGEERN COC(=O)C[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N ZINC000094336423 656590373 /nfs/dbraw/zinc/59/03/73/656590373.db2.gz XSBLALJKUMAQRQ-SSDOTTSWSA-N 0 0 304.293 3.016 10 30 DGEERN C=CCCC(=O)OC[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000077887327 656689537 /nfs/dbraw/zinc/68/95/37/656689537.db2.gz VPMUNNLFGIQMRM-DYVFJYSZSA-N 0 0 321.804 3.369 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] ZINC000187601733 656774873 /nfs/dbraw/zinc/77/48/73/656774873.db2.gz RIFHHNPIJIKBHN-MRXNPFEDSA-N 0 0 307.346 3.291 10 30 DGEERN Cc1nc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c(C)s1 ZINC000178734690 657032745 /nfs/dbraw/zinc/03/27/45/657032745.db2.gz PCEYWAUNOZHCOR-CYBMUJFWSA-N 0 0 318.373 3.438 10 30 DGEERN C#CCN(C(=O)CSc1cccc(OC)c1)C1CCCC1 ZINC000163974829 657138467 /nfs/dbraw/zinc/13/84/67/657138467.db2.gz XVLIYTWSRNRENP-UHFFFAOYSA-N 0 0 303.427 3.192 10 30 DGEERN C#CCN(C(=O)c1cc(-c2ccccc2F)on1)C1CCCC1 ZINC000164028201 657291214 /nfs/dbraw/zinc/29/12/14/657291214.db2.gz GHISXQIJQJAHDU-UHFFFAOYSA-N 0 0 312.344 3.499 10 30 DGEERN CCCCCCCC(=O)NCc1cn(C)nc1Br ZINC000720667353 658061303 /nfs/dbraw/zinc/06/13/03/658061303.db2.gz JTPPIMWXWXLGHM-UHFFFAOYSA-N 0 0 316.243 3.159 10 30 DGEERN Cc1ccc(OCC(=O)OC[C@H](C#N)Cc2cccs2)cc1 ZINC000089293099 658394680 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C#CC[C@@H](OC(=O)c1cnn(CCC(F)(F)F)c1)C(C)C ZINC000181572075 660008138 /nfs/dbraw/zinc/00/81/38/660008138.db2.gz FWCHMMABPDRETL-GFCCVEGCSA-N 0 0 302.296 3.040 10 30 DGEERN COCc1ccsc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000181786584 660020422 /nfs/dbraw/zinc/02/04/22/660020422.db2.gz APLDGUYKOQYCHJ-AWEZNQCLSA-N 0 0 315.394 3.434 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 ZINC000182280440 660040925 /nfs/dbraw/zinc/04/09/25/660040925.db2.gz LVQZYBXBNBIOAV-DUXPYHPUSA-N 0 0 305.311 3.267 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1ccc2c(c1)CCN2C ZINC000182283349 660041086 /nfs/dbraw/zinc/04/10/86/660041086.db2.gz LYPZTDLBXSTGGR-QPJJXVBHSA-N 0 0 309.365 3.289 10 30 DGEERN CC(=O)Nc1cccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182361226 660045920 /nfs/dbraw/zinc/04/59/20/660045920.db2.gz ULWOMHPSSYHRSW-UHFFFAOYSA-N 0 0 320.348 3.419 10 30 DGEERN N#CC1(c2ccc(C(=O)OCCOc3ccccc3)cc2)CC1 ZINC000182531164 660060231 /nfs/dbraw/zinc/06/02/31/660060231.db2.gz LKVLLXJAYBOBME-UHFFFAOYSA-N 0 0 307.349 3.478 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1F ZINC000182548300 660061354 /nfs/dbraw/zinc/06/13/54/660061354.db2.gz ZMBTUGIVLQQIDQ-GFCCVEGCSA-N 0 0 313.332 3.167 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000182581672 660063517 /nfs/dbraw/zinc/06/35/17/660063517.db2.gz OZLVXGSPAIJGKN-NSHDSACASA-N 0 0 310.313 3.233 10 30 DGEERN Oc1ccc(/C=N/Cc2nc3ccccc3n2C2CC2)c(O)c1O ZINC000183622681 660127350 /nfs/dbraw/zinc/12/73/50/660127350.db2.gz XWHREKBWFMYYPU-DJKKODMXSA-N 0 0 323.352 3.107 10 30 DGEERN N#CC1(COC(=O)CCCc2nc(C3CC3)no2)CCCCC1 ZINC000183687739 660130413 /nfs/dbraw/zinc/13/04/13/660130413.db2.gz LQAWMPYTOYCLSI-UHFFFAOYSA-N 0 0 317.389 3.287 10 30 DGEERN CC#CCCCCOC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000183926545 660148084 /nfs/dbraw/zinc/14/80/84/660148084.db2.gz JCOGKSOREJQLPE-UHFFFAOYSA-N 0 0 322.426 3.219 10 30 DGEERN N#CC1(COC(=O)Cc2ccc3ccccc3c2)CCOCC1 ZINC000183957312 660149665 /nfs/dbraw/zinc/14/96/65/660149665.db2.gz KHSACSJMWIPIIJ-UHFFFAOYSA-N 0 0 309.365 3.246 10 30 DGEERN C#CCN(CC#C)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000159342418 661886037 /nfs/dbraw/zinc/88/60/37/661886037.db2.gz DZIAARYDAYHXRR-UHFFFAOYSA-N 0 0 301.798 3.192 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1ccc(CCC(C)=O)cc1 ZINC000187557034 661887517 /nfs/dbraw/zinc/88/75/17/661887517.db2.gz ZXDKBLHQUXJKIG-SFHVURJKSA-N 0 0 304.386 3.342 10 30 DGEERN CCOc1ccc(O)c(/C=N/[C@@H](C)c2ccncc2OC)c1 ZINC000187743188 661902938 /nfs/dbraw/zinc/90/29/38/661902938.db2.gz DXDZFJOHIQAGME-NJDFMEINSA-N 0 0 300.358 3.375 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000188045695 661912327 /nfs/dbraw/zinc/91/23/27/661912327.db2.gz OGVQHNUHMJMQRV-AWEZNQCLSA-N 0 0 303.358 3.284 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000188036833 661912472 /nfs/dbraw/zinc/91/24/72/661912472.db2.gz BCOMSUPCBVMTQF-CQSZACIVSA-N 0 0 311.341 3.463 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000188110492 661916282 /nfs/dbraw/zinc/91/62/82/661916282.db2.gz 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/nfs/dbraw/zinc/05/44/34/662054434.db2.gz UXYDTDGLXIJGSH-KRWDZBQOSA-N 0 0 318.373 3.171 10 30 DGEERN C=C[C@H](CC)OC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000192279712 662093930 /nfs/dbraw/zinc/09/39/30/662093930.db2.gz UFSLJDZVDNARRE-CYBMUJFWSA-N 0 0 321.327 3.034 10 30 DGEERN COCCOc1ccccc1C(=O)OCC(C)(C)CCC#N ZINC000195052952 662177362 /nfs/dbraw/zinc/17/73/62/662177362.db2.gz LGJLOTPICRRSLT-UHFFFAOYSA-N 0 0 305.374 3.199 10 30 DGEERN C#CC(C)(C)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000195473028 662190675 /nfs/dbraw/zinc/19/06/75/662190675.db2.gz QLVWKAZUCAIYCU-UHFFFAOYSA-N 0 0 320.241 3.167 10 30 DGEERN C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000083939657 662197934 /nfs/dbraw/zinc/19/79/34/662197934.db2.gz XGCIDUOGXYKTKJ-SECBINFHSA-N 0 0 302.311 3.446 10 30 DGEERN CCN(Cc1ccc(SC(=O)N(C)C)cc1)C[C@H](C)C#N ZINC000084071984 662199105 /nfs/dbraw/zinc/19/91/05/662199105.db2.gz RAYQQFROEQNUKC-CYBMUJFWSA-N 0 0 305.447 3.442 10 30 DGEERN CC[C@H](C#N)OC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000084713427 662203198 /nfs/dbraw/zinc/20/31/98/662203198.db2.gz SNOBIUGRLAFQHI-LLVKDONJSA-N 0 0 303.749 3.293 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1cnn2cc(Br)cnc12 ZINC000089311475 662241447 /nfs/dbraw/zinc/24/14/47/662241447.db2.gz VOCIVGPENQVIGZ-VIFPVBQESA-N 0 0 324.178 3.003 10 30 DGEERN COCCC1(C(=O)OC[C@H](C#N)Cc2cccs2)CCC1 ZINC000089289158 662240656 /nfs/dbraw/zinc/24/06/56/662240656.db2.gz RUZIXKDWJBEDSH-ZDUSSCGKSA-N 0 0 307.415 3.180 10 30 DGEERN C[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)C1CCOCC1 ZINC000089293170 662241052 /nfs/dbraw/zinc/24/10/52/662241052.db2.gz KTETZRLTEQFDBM-QWHCGFSZSA-N 0 0 307.415 3.036 10 30 DGEERN CCOc1cccnc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089297917 662241069 /nfs/dbraw/zinc/24/10/69/662241069.db2.gz MEUNJEGPYUFIGB-LBPRGKRZSA-N 0 0 316.382 3.081 10 30 DGEERN C=CCC[C@H](C)OC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000089321083 662242109 /nfs/dbraw/zinc/24/21/09/662242109.db2.gz DHZUQBWKLHIMDX-AWEZNQCLSA-N 0 0 317.385 3.090 10 30 DGEERN C=CCC[C@H](C)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000089320444 662242140 /nfs/dbraw/zinc/24/21/40/662242140.db2.gz JDSPZMLZGQHMDF-GUYCJALGSA-N 0 0 319.401 3.160 10 30 DGEERN C#C[C@H](OC(=O)c1cc(Br)cn1C(C)C)C1CC1 ZINC000089491672 662244800 /nfs/dbraw/zinc/24/48/00/662244800.db2.gz PQJUGJMYGRSKII-ZDUSSCGKSA-N 0 0 310.191 3.400 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(OC)c1F ZINC000090445455 662263869 /nfs/dbraw/zinc/26/38/69/662263869.db2.gz YLJOHHNTZUZMGZ-UHFFFAOYSA-N 0 0 315.319 3.249 10 30 DGEERN COc1ccc2nc(C(=O)OCC#Cc3ccccc3)ccc2c1 ZINC000093246103 662349267 /nfs/dbraw/zinc/34/92/67/662349267.db2.gz IYADSGNXHOVTKO-UHFFFAOYSA-N 0 0 317.344 3.452 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nc(-c2ccco2)no1)C(C)(C)C ZINC000159816859 685099054 /nfs/dbraw/zinc/09/90/54/685099054.db2.gz XJQGLYKVDUVOQD-ZDUSSCGKSA-N 0 0 316.357 3.243 10 30 DGEERN C[C@H]1CCC[C@]1(O)CNc1cc(Br)ccc1C#N ZINC000328078948 1176636573 /nfs/dbraw/zinc/63/65/73/1176636573.db2.gz GGJHYDNFDGKPTO-HZMBPMFUSA-N 0 0 309.207 3.284 10 30 DGEERN N#Cc1ccc(NCCCCCCO)c(F)c1Br ZINC000236500778 1176829998 /nfs/dbraw/zinc/82/99/98/1176829998.db2.gz HFRHRIJRKHSCQK-UHFFFAOYSA-N 0 0 315.186 3.424 10 30 DGEERN CN(C(=O)c1nscc1Br)c1cccc(C#N)c1 ZINC000404788903 1176911262 /nfs/dbraw/zinc/91/12/62/1176911262.db2.gz GPAQVZVXIVKPPS-UHFFFAOYSA-N 0 0 322.187 3.054 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)c3cnn4c3CCCC4)sc2C1 ZINC000329664827 1177024783 /nfs/dbraw/zinc/02/47/83/1177024783.db2.gz KBQJFPHECQBGMV-SNVBAGLBSA-N 0 0 316.430 3.437 10 30 DGEERN C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC)cc1 ZINC000586130716 1177034424 /nfs/dbraw/zinc/03/44/24/1177034424.db2.gz KKUNZIFRHQZPJL-UHFFFAOYSA-N 0 0 313.422 3.073 10 30 DGEERN Cc1cnc(C(=O)NC2CCC3(CCOCC3)CC2)c(O)c1 ZINC000330210998 1177114144 /nfs/dbraw/zinc/11/41/44/1177114144.db2.gz CSALXXVEVGGGFX-UHFFFAOYSA-N 0 0 304.390 3.140 10 30 DGEERN CO[C@H]1CCN(c2cc(Br)ccc2C#N)[C@H](C)C1 ZINC000385349163 1177160682 /nfs/dbraw/zinc/16/06/82/1177160682.db2.gz MWZNIYBKIZTEOE-MFKMUULPSA-N 0 0 309.207 3.324 10 30 DGEERN N#CCSc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000079380785 1196948361 /nfs/dbraw/zinc/94/83/61/1196948361.db2.gz MYHIQHGLLLLBIA-UHFFFAOYSA-N 0 0 314.322 3.430 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(CC#N)cc1 ZINC000080760634 1197117166 /nfs/dbraw/zinc/11/71/66/1197117166.db2.gz TVZPGZQVOPOJMO-HNNXBMFYSA-N 0 0 306.431 3.096 10 30 DGEERN Cc1cc(C(=O)Nc2ccc(C#N)cn2)sc1Br ZINC000081153654 1197156700 /nfs/dbraw/zinc/15/67/00/1197156700.db2.gz QENMETUHEDEDNX-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)c1cc(C)c(Br)s1 ZINC000081695105 1197242808 /nfs/dbraw/zinc/24/28/08/1197242808.db2.gz SPJPOVSOGHMFAM-MRVPVSSYSA-N 0 0 315.236 3.441 10 30 DGEERN N#Cc1cccc2c1CN(C(=O)c1ccoc1Br)C2 ZINC000405083575 1199592882 /nfs/dbraw/zinc/59/28/82/1199592882.db2.gz HYAATHCTFVOXQG-UHFFFAOYSA-N 0 0 317.142 3.070 10 30 DGEERN Cc1[nH]c(=S)sc1CC(=O)Nc1cc(C)cc(C#N)c1 ZINC000308217500 1199702815 /nfs/dbraw/zinc/70/28/15/1199702815.db2.gz MSGFKHYOAJLKSV-UHFFFAOYSA-N 0 0 303.412 3.102 10 30 DGEERN CN(Cc1cccs1)c1ncc(Br)cc1C#N ZINC000310098280 1199712629 /nfs/dbraw/zinc/71/26/29/1199712629.db2.gz WICOBMNSOMOTOR-UHFFFAOYSA-N 0 0 308.204 3.414 10 30 DGEERN CC[C@H](CNc1ccc(C#N)c(Br)c1F)OC ZINC000310490868 1199721231 /nfs/dbraw/zinc/72/12/31/1199721231.db2.gz OIQFKWDQOZWQCN-SECBINFHSA-N 0 0 301.159 3.297 10 30 DGEERN C=CCC[C@H](CO)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000320135983 1199845391 /nfs/dbraw/zinc/84/53/91/1199845391.db2.gz LDTTZYMXXHAOEE-GEXIGZQTSA-N 0 0 314.212 3.450 10 30 DGEERN CN(Cc1cccnc1)c1cc(Br)ccc1C#N ZINC000123119985 1200272419 /nfs/dbraw/zinc/27/24/19/1200272419.db2.gz RPPNMIDSBIPNNG-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN N#Cc1ccc(Br)cc1NCC1(O)CCCCC1 ZINC000124440099 1200351841 /nfs/dbraw/zinc/35/18/41/1200351841.db2.gz VDKMNIMSXGAPFC-UHFFFAOYSA-N 0 0 309.207 3.428 10 30 DGEERN CO[C@@H]1CCCC[C@@H]1OC(=O)CSCc1ccc(C#N)cc1 ZINC000130789751 1201058527 /nfs/dbraw/zinc/05/85/27/1201058527.db2.gz FBVSAAWSJBIPCC-CVEARBPZSA-N 0 0 319.426 3.292 10 30 DGEERN C#CCCCCNC(=O)NCc1ccc(C)cc1OCCC ZINC000152182864 1202594002 /nfs/dbraw/zinc/59/40/02/1202594002.db2.gz ZAXXNRLDGPXKOH-UHFFFAOYSA-N 0 0 302.418 3.387 10 30 DGEERN N#Cc1ccc(NCCCn2ccnc2)c(F)c1Br ZINC000231843907 1202600180 /nfs/dbraw/zinc/60/01/80/1202600180.db2.gz OLRQJJJQJDFBKI-UHFFFAOYSA-N 0 0 323.169 3.159 10 30 DGEERN N#Cc1cc(CNc2cc(Br)ccc2C#N)ccn1 ZINC000232477044 1202601533 /nfs/dbraw/zinc/60/15/33/1202601533.db2.gz BRUMQRHKWURIKG-UHFFFAOYSA-N 0 0 313.158 3.200 10 30 DGEERN N#CC1(c2ccc(C(=O)OCCCc3cccnc3)cc2)CC1 ZINC000182330511 1204341287 /nfs/dbraw/zinc/34/12/87/1204341287.db2.gz DZFPAQUVNAEIEZ-UHFFFAOYSA-N 0 0 306.365 3.426 10 30 DGEERN Cc1ccc(N(CCC#N)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000588408847 1082164615 /nfs/dbraw/zinc/16/46/15/1082164615.db2.gz OFRBCANBGRFJRU-YVMONPNESA-N 0 0 307.353 3.056 10 30 DGEERN COc1ccc(O)cc1C(=O)C=Cc1c[nH]nc1C(C)(C)C ZINC000588409646 1082166966 /nfs/dbraw/zinc/16/69/66/1082166966.db2.gz CCSHTZYUCMNUAG-ALCCZGGFSA-N 0 0 300.358 3.318 10 30 DGEERN COC(=O)c1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1 ZINC000588409731 1082167740 /nfs/dbraw/zinc/16/77/40/1082167740.db2.gz SVNBOKCRGIKYQR-UITAMQMPSA-N 0 0 312.321 3.084 10 30 DGEERN CC(C)(C)OC(=O)NC/C=C\CNc1ncc(C#N)cc1Cl ZINC000588432579 1082250605 /nfs/dbraw/zinc/25/06/05/1082250605.db2.gz NLIGTHCBMDQAER-PLNGDYQASA-N 0 0 322.796 3.099 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(C#N)cc1 ZINC000588435127 1082265778 /nfs/dbraw/zinc/26/57/78/1082265778.db2.gz BYTCYGRWZUKEGJ-BENRWUELSA-N 0 0 308.293 3.475 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C=C1CCc2[nH]c(=O)ccc2C1=O ZINC000588450199 1082325368 /nfs/dbraw/zinc/32/53/68/1082325368.db2.gz KPWZWYNZKUKULW-XFXZXTDPSA-N 0 0 310.309 3.216 10 30 DGEERN Cn1cc(-c2cc(CON=Cc3ccc(Cl)cc3)on2)cn1 ZINC000588483005 1082429369 /nfs/dbraw/zinc/42/93/69/1082429369.db2.gz GVDFMTVDUBHXLT-UHFFFAOYSA-N 0 0 316.748 3.279 10 30 DGEERN Cc1ccc(CON=CC(=O)Nc2ccc(F)cc2F)c(C)n1 ZINC000588510318 1082518503 /nfs/dbraw/zinc/51/85/03/1082518503.db2.gz GYRTVJBSKHQPGL-UHFFFAOYSA-N 0 0 319.311 3.118 10 30 DGEERN Cc1nc(/C=C\c2cocn2)sc1C(=O)/C=C\c1cocn1 ZINC000588561378 1082636480 /nfs/dbraw/zinc/63/64/80/1082636480.db2.gz BHYFVTDFVLEUJG-JVLMNHKTSA-N 0 0 313.338 3.494 10 30 DGEERN O=C1c2ccc(Br)cc2OCC/C1=C/c1cocn1 ZINC000588561413 1082636727 /nfs/dbraw/zinc/63/67/27/1082636727.db2.gz JOVWCZGFLSVZFH-UITAMQMPSA-N 0 0 320.142 3.486 10 30 DGEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3cccc(O)c3)ccc21 ZINC000588599427 1082838567 /nfs/dbraw/zinc/83/85/67/1082838567.db2.gz WGOPKPNZQSHPFO-VURMDHGXSA-N 0 0 311.362 3.202 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000383698514 1108199257 /nfs/dbraw/zinc/19/92/57/1108199257.db2.gz BYWQTEORFZHFHN-UHFFFAOYSA-N 0 0 320.817 3.289 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000081759705 192321884 /nfs/dbraw/zinc/32/18/84/192321884.db2.gz JTVUBOYWIUGDPX-IBGZPJMESA-N 0 0 307.397 3.091 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000278341438 214100701 /nfs/dbraw/zinc/10/07/01/214100701.db2.gz YDCGIVVTUWVHJY-RHSMWYFYSA-N 0 0 318.392 3.346 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000103028026 432002314 /nfs/dbraw/zinc/00/23/14/432002314.db2.gz AQUOKPTWODEAEN-QGZVFWFLSA-N 0 0 318.376 3.147 10 30 DGEERN N#Cc1csc(CNCc2cc(Br)cs2)n1 ZINC000309556205 231099876 /nfs/dbraw/zinc/09/98/76/231099876.db2.gz MNXOSCQWHSBHPP-UHFFFAOYSA-N 0 0 314.233 3.129 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccs1 ZINC000062888754 432005157 /nfs/dbraw/zinc/00/51/57/432005157.db2.gz HOZNZHPHVCLCEJ-UHFFFAOYSA-N 0 0 316.382 3.414 10 30 DGEERN O=C(NCC1CCC1)c1ccc(C#Cc2cccc(F)c2)cn1 ZINC000096933557 185392663 /nfs/dbraw/zinc/39/26/63/185392663.db2.gz DESICAQLOCYSPE-UHFFFAOYSA-N 0 0 308.356 3.150 10 30 DGEERN COc1ccccc1CNc1c(C#N)c(N)nc2ccccc21 ZINC000090555289 185303078 /nfs/dbraw/zinc/30/30/78/185303078.db2.gz NXBVQWYWDBTBCT-UHFFFAOYSA-N 0 0 304.353 3.309 10 30 DGEERN CCc1nc(C(C)(C)NCc2ccccc2C(C)(C)C#N)no1 ZINC000441265395 529714724 /nfs/dbraw/zinc/71/47/24/529714724.db2.gz MJKQYWXFLGFPQI-UHFFFAOYSA-N 0 0 312.417 3.458 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000129927140 432010351 /nfs/dbraw/zinc/01/03/51/432010351.db2.gz BFFFQRDHAZMYER-KSSFIOAISA-N 0 0 308.381 3.109 10 30 DGEERN N#Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109085166 185550316 /nfs/dbraw/zinc/55/03/16/185550316.db2.gz TXLRHCGNFFUFFA-GJZGRUSLSA-N 0 0 312.319 3.256 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC000180938430 334959510 /nfs/dbraw/zinc/95/95/10/334959510.db2.gz JYASACLFTGXXMG-UHFFFAOYSA-N 0 0 301.365 3.358 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277789526 213768606 /nfs/dbraw/zinc/76/86/06/213768606.db2.gz SKLKRVNBLCAPTP-QGZVFWFLSA-N 0 0 315.457 3.433 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000277787108 213766902 /nfs/dbraw/zinc/76/69/02/213766902.db2.gz WZORSLQIWJGQRR-XZJROXQQSA-N 0 0 324.371 3.306 10 30 DGEERN C[C@@H]1C[C@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115360722 185679298 /nfs/dbraw/zinc/67/92/98/185679298.db2.gz VRXCTFQOBGGHKD-FZKQIMNGSA-N 0 0 306.365 3.275 10 30 DGEERN Cc1sc(C(=O)N(CCC#N)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000104627135 432017170 /nfs/dbraw/zinc/01/71/70/432017170.db2.gz USWBJHGZYCAYFV-UHFFFAOYSA-N 0 0 309.391 3.367 10 30 DGEERN C=CCN(C(=O)NCc1cc(F)c(Cl)cc1F)C1CC1 ZINC000279764470 215127050 /nfs/dbraw/zinc/12/70/50/215127050.db2.gz RYABTAAGWPMGKI-UHFFFAOYSA-N 0 0 300.736 3.478 10 30 DGEERN N#Cc1cc(F)ccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000126661630 185882204 /nfs/dbraw/zinc/88/22/04/185882204.db2.gz CBNVICVGSINSAN-INIZCTEOSA-N 0 0 302.374 3.332 10 30 DGEERN CCc1nccn1[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000070021799 190851745 /nfs/dbraw/zinc/85/17/45/190851745.db2.gz RWCZIPRIOJKRHD-HNNXBMFYSA-N 0 0 314.433 3.083 10 30 DGEERN COCCC1(CNC(=O)c2ccc(C#N)cc2C)CCCC1 ZINC000130332516 432021428 /nfs/dbraw/zinc/02/14/28/432021428.db2.gz RHDDZWKZFDLRPH-UHFFFAOYSA-N 0 0 300.402 3.193 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(Br)nc1 ZINC000173336542 186177969 /nfs/dbraw/zinc/17/79/69/186177969.db2.gz GNCLJWBIGAXELH-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN CCn1cc(C2CCN(c3nc(C)cc(C)c3C#N)CC2)cn1 ZINC000171364688 197925139 /nfs/dbraw/zinc/92/51/39/197925139.db2.gz BLMKYOQIQLSHBK-UHFFFAOYSA-N 0 0 309.417 3.171 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC000278398707 186482670 /nfs/dbraw/zinc/48/26/70/186482670.db2.gz OJJMUAAJJNZCEC-CYBMUJFWSA-N 0 0 310.422 3.006 10 30 DGEERN Cc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001250606 180851406 /nfs/dbraw/zinc/85/14/06/180851406.db2.gz KYACOKBBSBNWNW-WQRHYEAKSA-N 0 0 324.409 3.336 10 30 DGEERN C[C@@H](NCc1ccc(C#N)o1)c1cccc(N2CCCC2=O)c1 ZINC000174308792 198318004 /nfs/dbraw/zinc/31/80/04/198318004.db2.gz ZBALKOBFPREHCR-CYBMUJFWSA-N 0 0 309.369 3.129 10 30 DGEERN N#Cc1ccc(-c2nc3ccc(Br)cn3c2N)cc1 ZINC000073160426 191286883 /nfs/dbraw/zinc/28/68/83/191286883.db2.gz QWVFUJDNAUCKDM-UHFFFAOYSA-N 0 0 313.158 3.218 10 30 DGEERN C=CCOc1ccccc1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175728046 198503374 /nfs/dbraw/zinc/50/33/74/198503374.db2.gz JZOAZICWUAVNKA-ZDUSSCGKSA-N 0 0 319.401 3.054 10 30 DGEERN COc1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1 ZINC000003935701 181058081 /nfs/dbraw/zinc/05/80/81/181058081.db2.gz XEFNHJDWTZIITP-XVNBXDOJSA-N 0 0 300.310 3.011 10 30 DGEERN C=CCCCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000179109669 432042335 /nfs/dbraw/zinc/04/23/35/432042335.db2.gz FWAYEJWQIZDNJP-UHFFFAOYSA-N 0 0 309.356 3.443 10 30 DGEERN COc1cc(C=NNc2ccc(F)cc2)cc(OC)c1OC ZINC000004933281 181175043 /nfs/dbraw/zinc/17/50/43/181175043.db2.gz UFFWOEJWNTYDMI-VCHYOVAHSA-N 0 0 304.321 3.298 10 30 DGEERN Cc1c(NC(=O)c2cc(C#N)cn2C)cccc1C(F)(F)F ZINC000132549530 432050742 /nfs/dbraw/zinc/05/07/42/432050742.db2.gz AOCYMTAWDRGESL-UHFFFAOYSA-N 0 0 307.275 3.476 10 30 DGEERN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000005159208 181212013 /nfs/dbraw/zinc/21/20/13/181212013.db2.gz IWFJOJGHPUBFPH-CXUHLZMHSA-N 0 0 318.264 3.478 10 30 DGEERN C[C@H](C#Cc1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O ZINC000005298979 181227948 /nfs/dbraw/zinc/22/79/48/181227948.db2.gz MWXPQCKCKPYBDR-GFCCVEGCSA-N 0 0 314.316 3.128 10 30 in-man DGEERN O=C(/N=C/c1ccc([N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1 ZINC000005350948 181233239 /nfs/dbraw/zinc/23/32/39/181233239.db2.gz AZXXLQFTJGLKPA-VGOFMYFVSA-N 0 0 316.298 3.395 10 30 DGEERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cc(C#N)cn1C ZINC000081031767 192217971 /nfs/dbraw/zinc/21/79/71/192217971.db2.gz ISWALLIDFQLGDK-GFCCVEGCSA-N 0 0 307.353 3.442 10 30 DGEERN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C#N)cn2C)cc1 ZINC000080971151 192206904 /nfs/dbraw/zinc/20/69/04/192206904.db2.gz KPUYHZYJAAEMCB-QGZVFWFLSA-N 0 0 323.396 3.273 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCc3ccccc32)cn1 ZINC000186018830 283217724 /nfs/dbraw/zinc/21/77/24/283217724.db2.gz NEBQKIMKKVGKSH-QGZVFWFLSA-N 0 0 301.353 3.238 10 30 DGEERN N#Cc1csc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000176829270 283246946 /nfs/dbraw/zinc/24/69/46/283246946.db2.gz INEWOLUBRDURFX-UHFFFAOYSA-N 0 0 312.379 3.391 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000169071047 432070612 /nfs/dbraw/zinc/07/06/12/432070612.db2.gz XECJWSSGIUVRKL-CRAIPNDOSA-N 0 0 313.401 3.026 10 30 DGEERN COC(C)(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000180707941 199200492 /nfs/dbraw/zinc/20/04/92/199200492.db2.gz SFIRAZVQAKYQDC-UHFFFAOYSA-N 0 0 308.381 3.266 10 30 DGEERN COC(=O)c1csc(NC(=O)c2ccc(C#N)cc2C)c1C ZINC000180061528 432077551 /nfs/dbraw/zinc/07/75/51/432077551.db2.gz JYFBBWVFPIQULM-UHFFFAOYSA-N 0 0 314.366 3.276 10 30 DGEERN C=CCC[C@H](NCc1ncc(C(F)(F)F)s1)C(=O)OCC ZINC000449658509 240349172 /nfs/dbraw/zinc/34/91/72/240349172.db2.gz SWLJFMVEQBUTSJ-VIFPVBQESA-N 0 0 322.352 3.149 10 30 DGEERN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)s2)cn1 ZINC000134791263 432086205 /nfs/dbraw/zinc/08/62/05/432086205.db2.gz IRGPQIMEQRFJCB-GFCCVEGCSA-N 0 0 323.425 3.360 10 30 DGEERN C=C(C)CN(C)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000180454483 432087501 /nfs/dbraw/zinc/08/75/01/432087501.db2.gz BACKXRKXUASGJU-OAHLLOKOSA-N 0 0 322.836 3.129 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000189150218 200356876 /nfs/dbraw/zinc/35/68/76/200356876.db2.gz OXOUQELIDFVDDJ-PBHICJAKSA-N 0 0 303.402 3.025 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000436005079 238381709 /nfs/dbraw/zinc/38/17/09/238381709.db2.gz GDKMOQMGANVCQC-UHFFFAOYSA-N 0 0 310.744 3.269 10 30 DGEERN C[C@@H](C(=O)Nc1cc(C#N)ccn1)c1cn(C)c2ccccc12 ZINC000436009551 238383931 /nfs/dbraw/zinc/38/39/31/238383931.db2.gz VHZMVYIMFJIKJQ-GFCCVEGCSA-N 0 0 304.353 3.187 10 30 DGEERN N#Cc1ccnc(NC(=O)c2c(F)cccc2Br)c1 ZINC000436016202 238384273 /nfs/dbraw/zinc/38/42/73/238384273.db2.gz KAEIJUKELWCXQX-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN Cn1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c2cc(F)ccc21 ZINC000435912960 238369894 /nfs/dbraw/zinc/36/98/94/238369894.db2.gz FFXMEGGQHNGVAB-MRXNPFEDSA-N 0 0 313.376 3.472 10 30 DGEERN Cc1ccc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)cc1C ZINC000193328052 201030760 /nfs/dbraw/zinc/03/07/60/201030760.db2.gz LZFHDPPJMBEITP-UHFFFAOYSA-N 0 0 305.381 3.375 10 30 DGEERN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccnc(C#N)c2)s1 ZINC000193336750 201033682 /nfs/dbraw/zinc/03/36/82/201033682.db2.gz YEYFPWKNWBYYKE-NSHDSACASA-N 0 0 314.414 3.114 10 30 DGEERN N#Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccn1 ZINC000195108709 201339295 /nfs/dbraw/zinc/33/92/95/201339295.db2.gz YCFWXNWDFQDSKV-INIZCTEOSA-N 0 0 311.772 3.488 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000189905636 432102377 /nfs/dbraw/zinc/10/23/77/432102377.db2.gz GEZMAVHXEMBYOV-CQSZACIVSA-N 0 0 313.401 3.256 10 30 DGEERN COc1cc(CNc2ccc(C)c(C#N)n2)c2ccccc2n1 ZINC000189889819 432102466 /nfs/dbraw/zinc/10/24/66/432102466.db2.gz IVXRZAJORLQRQN-UHFFFAOYSA-N 0 0 304.353 3.431 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000073078014 283767076 /nfs/dbraw/zinc/76/70/76/283767076.db2.gz LQCKRYLXRLYMLJ-CYBMUJFWSA-N 0 0 308.385 3.297 10 30 DGEERN CCOc1ccc(CN=Nc2oc(C)nc2C#N)cc1OCC ZINC000006657109 181365912 /nfs/dbraw/zinc/36/59/12/181365912.db2.gz DDOIMDNGVGWJFJ-VCHYOVAHSA-N 0 0 314.345 3.098 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000248603235 202750530 /nfs/dbraw/zinc/75/05/30/202750530.db2.gz OLPSXBSCCGCTSL-KNCOVGOOSA-N 0 0 300.402 3.266 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000091208998 193019559 /nfs/dbraw/zinc/01/95/59/193019559.db2.gz UAWNKYZTVGVFGZ-UHFFFAOYSA-N 0 0 312.398 3.380 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000451359738 241093053 /nfs/dbraw/zinc/09/30/53/241093053.db2.gz JGZSRDKQYYGIQY-UKRRQHHQSA-N 0 0 311.360 3.102 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCCC1 ZINC000451206003 241047201 /nfs/dbraw/zinc/04/72/01/241047201.db2.gz ZVRLBHFJIQQAKV-STQMWFEESA-N 0 0 319.367 3.285 10 30 DGEERN Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C#N)cn3)c2c1 ZINC000080649342 283901090 /nfs/dbraw/zinc/90/10/90/283901090.db2.gz JWGVALSOGYMCPE-UHFFFAOYSA-N 0 0 304.353 3.314 10 30 DGEERN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(C#N)cn2C)C2CC2)o1 ZINC000081012334 283907789 /nfs/dbraw/zinc/90/77/89/283907789.db2.gz SRTUQZPMDKSVDF-BLLLJJGKSA-N 0 0 323.396 3.418 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000081048568 283908442 /nfs/dbraw/zinc/90/84/42/283908442.db2.gz SCQBOKKQQQMYIR-UHFFFAOYSA-N 0 0 315.804 3.258 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000081535018 283919687 /nfs/dbraw/zinc/91/96/87/283919687.db2.gz JEFMZVVDQORHHG-UHFFFAOYSA-N 0 0 317.751 3.282 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000453432255 241783835 /nfs/dbraw/zinc/78/38/35/241783835.db2.gz BDSDWDJUIKTQCR-LSDHHAIUSA-N 0 0 316.449 3.475 10 30 DGEERN COc1ccc(CSCC(=O)Nc2ccccc2)cc1C#N ZINC000135332702 432111547 /nfs/dbraw/zinc/11/15/47/432111547.db2.gz ICMVJYBAAZNYTA-UHFFFAOYSA-N 0 0 312.394 3.439 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000455028139 242089674 /nfs/dbraw/zinc/08/96/74/242089674.db2.gz XLYPPCXPYGSAHM-UHFFFAOYSA-N 0 0 324.446 3.122 10 30 DGEERN C=CCOc1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000455043404 242093878 /nfs/dbraw/zinc/09/38/78/242093878.db2.gz JYVRCMWELVBZDK-RDJZCZTQSA-N 0 0 300.402 3.097 10 30 DGEERN COCCC1(C)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000456054865 242338846 /nfs/dbraw/zinc/33/88/46/242338846.db2.gz RXGQRTBLFZPSAJ-UHFFFAOYSA-N 0 0 314.429 3.012 10 30 DGEERN Cc1cccnc1CCNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456117505 242353413 /nfs/dbraw/zinc/35/34/13/242353413.db2.gz FRAYTDHXXHOBJD-UHFFFAOYSA-N 0 0 321.424 3.189 10 30 DGEERN C=CCN(CC=C)C(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000135340371 432114467 /nfs/dbraw/zinc/11/44/67/432114467.db2.gz UFDLKEPPXQXSHR-UHFFFAOYSA-N 0 0 316.426 3.001 10 30 DGEERN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)o1 ZINC000456634379 242512340 /nfs/dbraw/zinc/51/23/40/242512340.db2.gz CZBPJGYFMCRTRH-HNNXBMFYSA-N 0 0 320.352 3.395 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000456873495 242586914 /nfs/dbraw/zinc/58/69/14/242586914.db2.gz XLPFMQSSXCXIHG-BBRMVZONSA-N 0 0 301.386 3.036 10 30 DGEERN CCOc1ccc(OC)cc1NCc1cnc2ccc(C#N)cn12 ZINC000092169099 193170777 /nfs/dbraw/zinc/17/07/77/193170777.db2.gz WAVNSBVCEHWOOR-UHFFFAOYSA-N 0 0 322.368 3.225 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000459076906 243244568 /nfs/dbraw/zinc/24/45/68/243244568.db2.gz CUQJMUGKICCOJY-WMZOPIPTSA-N 0 0 314.429 3.439 10 30 DGEERN C=C(CC)CNC(=O)N(CC)[C@@H](COC)Cc1ccccc1 ZINC000459082138 243247167 /nfs/dbraw/zinc/24/71/67/243247167.db2.gz RUKHMMXIJMMEBM-QGZVFWFLSA-N 0 0 304.434 3.242 10 30 DGEERN COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000459308645 243327887 /nfs/dbraw/zinc/32/78/87/243327887.db2.gz YCEXFLJWPFLKLO-ZDUSSCGKSA-N 0 0 314.366 3.037 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000464641570 243783922 /nfs/dbraw/zinc/78/39/22/243783922.db2.gz DTWWMDTUVSPGJZ-CYBMUJFWSA-N 0 0 303.402 3.411 10 30 DGEERN CCc1ccc(CN2CCN(Cc3ccc(C#N)o3)CC2)s1 ZINC000093015249 193194745 /nfs/dbraw/zinc/19/47/45/193194745.db2.gz WPKSHNWGQUYHHF-UHFFFAOYSA-N 0 0 315.442 3.093 10 30 DGEERN C=CCCCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000468382606 244037601 /nfs/dbraw/zinc/03/76/01/244037601.db2.gz LHXNIVZESPHBCY-UHFFFAOYSA-N 0 0 323.392 3.379 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)o1 ZINC000093080883 193200879 /nfs/dbraw/zinc/20/08/79/193200879.db2.gz JYMNVOWNNGTKHU-INIZCTEOSA-N 0 0 302.761 3.378 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)NCC[C@H]1CCOC1 ZINC000472156507 244285162 /nfs/dbraw/zinc/28/51/62/244285162.db2.gz LNBRXTHCOQNIOS-KRWDZBQOSA-N 0 0 302.418 3.201 10 30 DGEERN CCOc1ccccc1CCNC(=O)c1ccc(C#N)cc1C ZINC000119649434 284147885 /nfs/dbraw/zinc/14/78/85/284147885.db2.gz LRSXVCYMZIZFJQ-UHFFFAOYSA-N 0 0 308.381 3.238 10 30 DGEERN CC(C)Oc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000094087010 193344726 /nfs/dbraw/zinc/34/47/26/193344726.db2.gz RCDJNXWWRQCTKU-STQMWFEESA-N 0 0 316.401 3.488 10 30 DGEERN CC#CCCNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000482442814 244802440 /nfs/dbraw/zinc/80/24/40/244802440.db2.gz XRQIUKRTNFFCGK-GFCCVEGCSA-N 0 0 320.261 3.281 10 30 DGEERN CC#CCCNC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000483479393 244862749 /nfs/dbraw/zinc/86/27/49/244862749.db2.gz DTBDMYXGOXODMG-UHFFFAOYSA-N 0 0 309.413 3.470 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000488302765 245175535 /nfs/dbraw/zinc/17/55/35/245175535.db2.gz VUAKIYQAMNFDAC-LLVKDONJSA-N 0 0 305.403 3.068 10 30 DGEERN C=CCN(CCC#N)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC000490124784 245383247 /nfs/dbraw/zinc/38/32/47/245383247.db2.gz FHWUELKTDAHUGO-UHFFFAOYSA-N 0 0 314.410 3.071 10 30 DGEERN COc1cc(C(=O)/C(C)=C/c2ccncc2)cc(OC)c1OC ZINC000013602100 181867861 /nfs/dbraw/zinc/86/78/61/181867861.db2.gz JKAALNOEOFZBOU-FMIVXFBMSA-N 0 0 313.353 3.394 10 30 DGEERN Cc1cc(C)cc(-c2cc(NC(=O)c3c[nH]c(C#N)c3)n[nH]2)c1 ZINC000181388400 432126778 /nfs/dbraw/zinc/12/67/78/432126778.db2.gz QRSMRWYZKBWXRR-UHFFFAOYSA-N 0 0 305.341 3.146 10 30 DGEERN C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C)cc1OC ZINC000015249868 181992675 /nfs/dbraw/zinc/99/26/75/181992675.db2.gz AGYNHTJYLFDOJD-SFHVURJKSA-N 0 0 324.380 3.456 10 30 DGEERN C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000015695218 182012964 /nfs/dbraw/zinc/01/29/64/182012964.db2.gz UXJZJBXSFKWEFD-LLVKDONJSA-N 0 0 316.307 3.093 10 30 DGEERN C=CCCCCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000274677297 211823222 /nfs/dbraw/zinc/82/32/22/211823222.db2.gz JBXDRRRJXYOHSN-JTQLQIEISA-N 0 0 315.339 3.006 10 30 DGEERN C=C(Cl)CNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000266464244 205366681 /nfs/dbraw/zinc/36/66/81/205366681.db2.gz FBNXBYNKGDNKTH-RISCZKNCSA-N 0 0 312.772 3.050 10 30 DGEERN Cc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3O)NC2=O)o1 ZINC000016904643 182064028 /nfs/dbraw/zinc/06/40/28/182064028.db2.gz KQHOXXCPDRHOLY-ZSOIEALJSA-N 0 0 314.366 3.494 10 30 DGEERN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3C3(CCCC3)C12 ZINC000017055339 182072661 /nfs/dbraw/zinc/07/26/61/182072661.db2.gz KHQUPHDVCPTDKM-AWEZNQCLSA-N 0 0 320.396 3.374 10 30 DGEERN N/C(=N\O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000019432952 182123087 /nfs/dbraw/zinc/12/30/87/182123087.db2.gz GBXBJTDNXZSXKZ-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190192659 432131912 /nfs/dbraw/zinc/13/19/12/432131912.db2.gz JBLZJTODFUFYFY-CYBMUJFWSA-N 0 0 320.399 3.321 10 30 DGEERN C=CCNC(=S)Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000020113348 182188554 /nfs/dbraw/zinc/18/85/54/182188554.db2.gz NQMAZFJWVOEBJZ-UHFFFAOYSA-N 0 0 317.458 3.031 10 30 DGEERN Cc1sc2nc(C)n(Cc3ccccc3C#N)c(=O)c2c1C ZINC000020157982 182193356 /nfs/dbraw/zinc/19/33/56/182193356.db2.gz LCLZMPNOSWJPTI-UHFFFAOYSA-N 0 0 309.394 3.303 10 30 DGEERN N#Cc1cccc(NC(=O)NCc2ccn(C3CCCC3)n2)c1 ZINC000129846144 284424355 /nfs/dbraw/zinc/42/43/55/284424355.db2.gz CWKPTMDDCPDJQV-UHFFFAOYSA-N 0 0 309.373 3.192 10 30 DGEERN O=C1CS/C(=N\C2CCCCC2)N1/N=C/c1ccc(F)cc1 ZINC000020353073 182210423 /nfs/dbraw/zinc/21/04/23/182210423.db2.gz ZOOQNJALSWQAHG-CIWBWUJOSA-N 0 0 319.405 3.424 10 30 DGEERN C=CCN1c2ccccc2S/C(=C/C(=O)N(C)CCC)C1=O ZINC000022317245 182317469 /nfs/dbraw/zinc/31/74/69/182317469.db2.gz BZYYCELSVDGXMD-NTCAYCPXSA-N 0 0 316.426 3.064 10 30 DGEERN Cc1ccccc1C=NN1C(=S)N=NC1c1cccs1 ZINC000101484245 193814397 /nfs/dbraw/zinc/81/43/97/193814397.db2.gz AUHJHKVGSHZOOQ-DHDCSXOGSA-N 0 0 300.412 3.486 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Sc1ccccn1 ZINC000267864218 206309189 /nfs/dbraw/zinc/30/91/89/206309189.db2.gz JOVRXIXQEYJVAM-JTQLQIEISA-N 0 0 304.337 3.139 10 30 DGEERN N#Cc1cc(Cl)ccc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171562904 432145652 /nfs/dbraw/zinc/14/56/52/432145652.db2.gz WJGPHIMHWTXYEQ-CQSZACIVSA-N 0 0 313.792 3.083 10 30 DGEERN C#CCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040204271 183045652 /nfs/dbraw/zinc/04/56/52/183045652.db2.gz IFDDXAJDNIXKAO-UHFFFAOYSA-N 0 0 311.429 3.155 10 30 DGEERN C#CCn1c(CCCCCNC(=O)CCC)nc2ccccc21 ZINC000040211231 183045801 /nfs/dbraw/zinc/04/58/01/183045801.db2.gz HIJSWNMHLJIFHJ-UHFFFAOYSA-N 0 0 311.429 3.299 10 30 DGEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccco1 ZINC000040357971 183056305 /nfs/dbraw/zinc/05/63/05/183056305.db2.gz DMLNJZIWXXMEHO-OAHLLOKOSA-N 0 0 305.374 3.390 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000152762595 284639338 /nfs/dbraw/zinc/63/93/38/284639338.db2.gz OBRHCJKXKVXQDO-UHFFFAOYSA-N 0 0 307.397 3.040 10 30 DGEERN C=CCNC(=O)c1csc(-c2ccc(OCC)cc2F)n1 ZINC000040425101 183065386 /nfs/dbraw/zinc/06/53/86/183065386.db2.gz NGLRILSTZKFIOR-UHFFFAOYSA-N 0 0 306.362 3.264 10 30 DGEERN C=CCNc1ncnc(Oc2cccc3ccc(C)nc32)c1N ZINC000040708889 183121387 /nfs/dbraw/zinc/12/13/87/183121387.db2.gz DGTLMUOCIILQQD-UHFFFAOYSA-N 0 0 307.357 3.306 10 30 DGEERN C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040599045 183108244 /nfs/dbraw/zinc/10/82/44/183108244.db2.gz LTGIQVVDZVMZPP-UHFFFAOYSA-N 0 0 300.318 3.392 10 30 DGEERN C=CCNC(=O)COc1ccc(Br)cc1C(C)C ZINC000040942196 183149650 /nfs/dbraw/zinc/14/96/50/183149650.db2.gz DSUAMHSFDGGLTB-UHFFFAOYSA-N 0 0 312.207 3.254 10 30 DGEERN COC(=O)c1cc(C)ccc1OCc1ccc(OC)c(C#N)c1 ZINC000153242998 284663536 /nfs/dbraw/zinc/66/35/36/284663536.db2.gz SFEJVLPCVJDKBO-UHFFFAOYSA-N 0 0 311.337 3.241 10 30 DGEERN CC(C)N(CCC#N)CC(=O)Nc1ccc(Br)cc1 ZINC000042530702 183281583 /nfs/dbraw/zinc/28/15/83/183281583.db2.gz FDEXQSVXCOEDIN-UHFFFAOYSA-N 0 0 324.222 3.012 10 30 DGEERN COc1ccc(-c2noc(CSc3ccc(C#N)cc3)n2)cn1 ZINC000109590663 194276226 /nfs/dbraw/zinc/27/62/26/194276226.db2.gz ZZPCLVHIDBDLRM-UHFFFAOYSA-N 0 0 324.365 3.304 10 30 DGEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000245865611 284848268 /nfs/dbraw/zinc/84/82/68/284848268.db2.gz JTOHHLDHIPVAOL-XOKHGSTOSA-N 0 0 318.442 3.041 10 30 DGEERN Cn1cc(C2CCN(c3ccc(C#N)c(Cl)c3)CC2)cn1 ZINC000110413410 194327914 /nfs/dbraw/zinc/32/79/14/194327914.db2.gz DYVZQRXZGBPBLB-UHFFFAOYSA-N 0 0 300.793 3.329 10 30 DGEERN CC1CCC(C#N)(NC(=O)c2ccc(Br)cn2)CC1 ZINC000061862882 184190024 /nfs/dbraw/zinc/19/00/24/184190024.db2.gz SXAIIIRVGPPXER-UHFFFAOYSA-N 0 0 322.206 3.046 10 30 DGEERN N#Cc1cc(Oc2ccc(I)cc2)ccn1 ZINC000061811538 184188442 /nfs/dbraw/zinc/18/84/42/184188442.db2.gz OGGNUTCCSIKMHY-UHFFFAOYSA-N 0 0 322.105 3.350 10 30 DGEERN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181128281 532965109 /nfs/dbraw/zinc/96/51/09/532965109.db2.gz UKOQXJLJKVVPAR-CYBMUJFWSA-N 0 0 300.402 3.175 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000117598544 194834935 /nfs/dbraw/zinc/83/49/35/194834935.db2.gz PLTCHLLZSJOQCV-QGZVFWFLSA-N 0 0 320.392 3.473 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CSc2ccccc21 ZINC000118214950 194877821 /nfs/dbraw/zinc/87/78/21/194877821.db2.gz VPDUGHKPHYPOTH-NSHDSACASA-N 0 0 301.333 3.453 10 30 DGEERN Cc1c2ccccc2oc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173882619 252665173 /nfs/dbraw/zinc/66/51/73/252665173.db2.gz LAKYBLVPENELQN-UHFFFAOYSA-N 0 0 320.348 3.422 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000177170467 252714226 /nfs/dbraw/zinc/71/42/26/252714226.db2.gz SWFLEGXPMMBONI-KRWDZBQOSA-N 0 0 311.360 3.307 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000270318250 208389977 /nfs/dbraw/zinc/38/99/77/208389977.db2.gz FSQWMTHNCVSTRE-LRTDBIEQSA-N 0 0 308.447 3.093 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1-n1nc(C)nc1C ZINC000159187007 197334061 /nfs/dbraw/zinc/33/40/61/197334061.db2.gz FKYBCTGJQZQHFZ-UHFFFAOYSA-N 0 0 313.405 3.314 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3cc(F)ccc3C#N)CCO2)n1 ZINC000159170873 197332995 /nfs/dbraw/zinc/33/29/95/197332995.db2.gz FWYSFQAYECFBRW-HNNXBMFYSA-N 0 0 317.389 3.036 10 30 DGEERN Cc1nccn1CCCN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000120223516 195122127 /nfs/dbraw/zinc/12/21/27/195122127.db2.gz FSMMVUOKXKKETA-UHFFFAOYSA-N 0 0 323.322 3.004 10 30 DGEERN C=CCC[C@H](NC(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000158696921 197295181 /nfs/dbraw/zinc/29/51/81/197295181.db2.gz FHDWXCVSWVWTMK-KRWDZBQOSA-N 0 0 312.417 3.198 10 30 DGEERN CCCCN(C)C(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000156201823 197094544 /nfs/dbraw/zinc/09/45/44/197094544.db2.gz KPXPFLYBXHHPAJ-UHFFFAOYSA-N 0 0 306.431 3.059 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000156147470 197089380 /nfs/dbraw/zinc/08/93/80/197089380.db2.gz OQMVWYQKGYWTES-GOSISDBHSA-N 0 0 320.392 3.110 10 30 DGEERN C#CCCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155028046 197015585 /nfs/dbraw/zinc/01/55/85/197015585.db2.gz OXCYAIHMWXSSEC-INIZCTEOSA-N 0 0 320.820 3.226 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000153987525 196927967 /nfs/dbraw/zinc/92/79/67/196927967.db2.gz KTRZSODMEBGPIS-GFCCVEGCSA-N 0 0 324.494 3.226 10 30 DGEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCCCCC#N)C2)cc1 ZINC000172375143 533208553 /nfs/dbraw/zinc/20/85/53/533208553.db2.gz FRRXLEKXPLNGQF-ZBFHGGJFSA-N 0 0 315.417 3.276 10 30 DGEERN COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000120766546 195234227 /nfs/dbraw/zinc/23/42/27/195234227.db2.gz ONHSBZVMRLNXAC-OAHLLOKOSA-N 0 0 313.426 3.403 10 30 DGEERN C[C@H](CNc1ncc(Br)cc1C#N)c1nccs1 ZINC000295122824 224451600 /nfs/dbraw/zinc/45/16/00/224451600.db2.gz WZQPZCKLYJCZHU-MRVPVSSYSA-N 0 0 323.219 3.388 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3ccsc3)C2)c(F)c1 ZINC000125952202 195797315 /nfs/dbraw/zinc/79/73/15/195797315.db2.gz HENBXLMDDOQMJO-INIZCTEOSA-N 0 0 302.374 3.332 10 30 DGEERN C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)c1cccnc1 ZINC000174736184 533301987 /nfs/dbraw/zinc/30/19/87/533301987.db2.gz QHICVBZSPIKNAX-DNVCBOLYSA-N 0 0 307.397 3.216 10 30 DGEERN COc1cccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1F ZINC000183977862 533415730 /nfs/dbraw/zinc/41/57/30/533415730.db2.gz KIMNDMGSVKDXEZ-IBGZPJMESA-N 0 0 324.355 3.015 10 30 DGEERN C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCO[C@@H](C#N)C1 ZINC000584681733 400087720 /nfs/dbraw/zinc/08/77/20/400087720.db2.gz RABBUIPSQCIRQV-BLMSOEDDSA-N 0 0 310.319 3.333 10 30 DGEERN C=C/C(C)=C/CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000616174839 400094469 /nfs/dbraw/zinc/09/44/69/400094469.db2.gz GSSWDYRPLFQQSF-CXUHLZMHSA-N 0 0 309.413 3.119 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000584729375 400095758 /nfs/dbraw/zinc/09/57/58/400095758.db2.gz GMMXHNAFYBOUCH-UHFFFAOYSA-N 0 0 309.435 3.068 10 30 DGEERN Cc1cc(CNc2cccc(N3CCOCC3)c2)ccc1C#N ZINC000584878286 400119430 /nfs/dbraw/zinc/11/94/30/400119430.db2.gz UUUGHKWKXZWUER-UHFFFAOYSA-N 0 0 307.397 3.315 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CCC(C)C)cn1 ZINC000616103012 400083026 /nfs/dbraw/zinc/08/30/26/400083026.db2.gz NWSSHUHMNJFUSF-MRXNPFEDSA-N 0 0 317.433 3.080 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)C1CC1 ZINC000581857603 400083295 /nfs/dbraw/zinc/08/32/95/400083295.db2.gz CEVJXKBTEROZNL-UHFFFAOYSA-N 0 0 307.401 3.382 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1O ZINC000588099338 400188711 /nfs/dbraw/zinc/18/87/11/400188711.db2.gz QDWHACNORKAABZ-SECBINFHSA-N 0 0 311.765 3.373 10 30 DGEERN C=CCN(CC=C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600888731 400176717 /nfs/dbraw/zinc/17/67/17/400176717.db2.gz FLISDHXIFCWZEX-UHFFFAOYSA-N 0 0 300.358 3.217 10 30 DGEERN CS(=O)(=O)N1c2ccccc2CC[C@@H]1c1ccc(C#N)cc1 ZINC000616596121 400180375 /nfs/dbraw/zinc/18/03/75/400180375.db2.gz VFETZURRONHXOC-QGZVFWFLSA-N 0 0 312.394 3.012 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)Nc1ccccn1 ZINC000328616258 400182545 /nfs/dbraw/zinc/18/25/45/400182545.db2.gz BNAVLCVDAYKQTF-LLVKDONJSA-N 0 0 302.403 3.293 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)Nc1ccncc1C ZINC000328617217 400182743 /nfs/dbraw/zinc/18/27/43/400182743.db2.gz CMICYJNOSHYYGG-LBPRGKRZSA-N 0 0 316.430 3.023 10 30 DGEERN Cc1noc([C@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)n1 ZINC000091455066 400119910 /nfs/dbraw/zinc/11/99/10/400119910.db2.gz OJIJMCNKSRAKAL-ZDUSSCGKSA-N 0 0 319.368 3.182 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1CCOc1ccccc1C#N ZINC000066851466 400124668 /nfs/dbraw/zinc/12/46/68/400124668.db2.gz GHTJJZMOKHYZKI-OXJNMPFZSA-N 0 0 322.408 3.399 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2n1CC#N ZINC000609169243 400147506 /nfs/dbraw/zinc/14/75/06/400147506.db2.gz WMUQYWQRTBCUOB-GOSISDBHSA-N 0 0 308.385 3.223 10 30 DGEERN CCn1nc(C)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000013699609 400151345 /nfs/dbraw/zinc/15/13/45/400151345.db2.gz FSHUYFJTJRVCKT-UHFFFAOYSA-N 0 0 314.414 3.276 10 30 DGEERN Cc1ccc2[nH]c(C(=O)NCc3ccc(C#N)cc3F)cc2c1 ZINC000609232061 400152559 /nfs/dbraw/zinc/15/25/59/400152559.db2.gz VSFZJDPRVMFWCE-UHFFFAOYSA-N 0 0 307.328 3.417 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cc3ccccc3cc2O)c(F)c1 ZINC000609230046 400152949 /nfs/dbraw/zinc/15/29/49/400152949.db2.gz OBCAOAYLCZCSJV-UHFFFAOYSA-N 0 0 320.323 3.486 10 30 DGEERN CN(C)c1ccccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252735 400153875 /nfs/dbraw/zinc/15/38/75/400153875.db2.gz ZNKBNCXYUJVRPX-UHFFFAOYSA-N 0 0 312.348 3.085 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc(F)c(F)c2F)c(F)c1 ZINC000609251437 400154375 /nfs/dbraw/zinc/15/43/75/400154375.db2.gz DEGXOAPSQMZGFP-UHFFFAOYSA-N 0 0 323.249 3.436 10 30 DGEERN CC(C)Oc1ccccc1C(=O)NCc1ccc(C#N)cc1F ZINC000609262389 400156238 /nfs/dbraw/zinc/15/62/38/400156238.db2.gz CSPLILFOJDUQKU-UHFFFAOYSA-N 0 0 312.344 3.415 10 30 DGEERN Cc1cccc(C(C)C)c1NC(=O)NC1CCN(CC#N)CC1 ZINC000609338460 400161136 /nfs/dbraw/zinc/16/11/36/400161136.db2.gz IWTDIFYRFYLGBQ-UHFFFAOYSA-N 0 0 314.433 3.228 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(F)cc2CSC)C1=O ZINC000601067929 400220309 /nfs/dbraw/zinc/22/03/09/400220309.db2.gz FMRJHCIAAPVOFF-AWEZNQCLSA-N 0 0 322.405 3.075 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2c(F)cc(F)cc2F)c(F)c1 ZINC000610331979 400242689 /nfs/dbraw/zinc/24/26/89/400242689.db2.gz HEBPSTHFJWSKRE-UHFFFAOYSA-N 0 0 323.249 3.436 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(S(C)(=O)=O)s2)no1 ZINC000351310126 400246217 /nfs/dbraw/zinc/24/62/17/400246217.db2.gz QAVBZAQORZQBTQ-SECBINFHSA-N 0 0 312.416 3.271 10 30 DGEERN C=CCC1(c2nc(C3(OC)CCCCC3)no2)CCOCC1 ZINC000351298243 400246702 /nfs/dbraw/zinc/24/67/02/400246702.db2.gz CQIKYRSQWPSIKV-UHFFFAOYSA-N 0 0 306.406 3.500 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000610352564 400246992 /nfs/dbraw/zinc/24/69/92/400246992.db2.gz AOHGQFGFAVUOCA-WMZOPIPTSA-N 0 0 323.371 3.128 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2cnc(OCC(F)F)cn2)no1 ZINC000349634084 400202226 /nfs/dbraw/zinc/20/22/26/400202226.db2.gz NVEITLYRAYJSLB-SECBINFHSA-N 0 0 310.304 3.240 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012934 400207433 /nfs/dbraw/zinc/20/74/33/400207433.db2.gz LNWOTFLWJNPNAU-CYBMUJFWSA-N 0 0 320.389 3.313 10 30 DGEERN COc1cc(NCc2ccnc(C#N)c2)c(OC)cc1Cl ZINC000068751293 400283956 /nfs/dbraw/zinc/28/39/56/400283956.db2.gz YZPQVQPHHHQMNP-UHFFFAOYSA-N 0 0 303.749 3.236 10 30 DGEERN CN(Cc1cc(Br)cs1)Cc1ccnc(C#N)c1 ZINC000068766239 400285704 /nfs/dbraw/zinc/28/57/04/400285704.db2.gz KBAWFERUJJJUIH-UHFFFAOYSA-N 0 0 322.231 3.409 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccsc1 ZINC000617034782 400286677 /nfs/dbraw/zinc/28/66/77/400286677.db2.gz DJTCRHQRDJJYBL-UKRRQHHQSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OC ZINC000617035585 400286713 /nfs/dbraw/zinc/28/67/13/400286713.db2.gz PCBWZNUUIDUIMO-CABCVRRESA-N 0 0 303.402 3.325 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc1 ZINC000068769047 400286685 /nfs/dbraw/zinc/28/66/85/400286685.db2.gz XVUYSWHKJQFCJO-OAHLLOKOSA-N 0 0 321.359 3.045 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(N)=O)c1 ZINC000617034779 400287067 /nfs/dbraw/zinc/28/70/67/400287067.db2.gz DHUFHYCIYQOYMY-WFASDCNBSA-N 0 0 301.390 3.042 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H](C)c2nc(C)c(C(=O)OCC)s2)C1 ZINC000601308329 400287479 /nfs/dbraw/zinc/28/74/79/400287479.db2.gz OUWJQCCDIFIQHG-LLVKDONJSA-N 0 0 322.430 3.162 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)COCc1cccc(OC)c1 ZINC000617037319 400287623 /nfs/dbraw/zinc/28/76/23/400287623.db2.gz LQLBWVKGDWXEME-AEFFLSMTSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(C)cc(C)n1 ZINC000617035685 400287782 /nfs/dbraw/zinc/28/77/82/400287782.db2.gz QYAVPHKYEXBQHE-CABCVRRESA-N 0 0 319.474 3.437 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000617036736 400287923 /nfs/dbraw/zinc/28/79/23/400287923.db2.gz DVRGCESPUKBCAL-IRXDYDNUSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000617036888 400288041 /nfs/dbraw/zinc/28/80/41/400288041.db2.gz GJAJHVKAKPWXCA-MJBXVCDLSA-N 0 0 320.458 3.118 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)COCc1ccc(OC)cc1 ZINC000617037813 400288085 /nfs/dbraw/zinc/28/80/85/400288085.db2.gz QXTZXINTXBDRNZ-SJLPKXTDSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000617036582 400288263 /nfs/dbraw/zinc/28/82/63/400288263.db2.gz BYULVEGWZLIASV-FUHWJXTLSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)C1CCCCC1 ZINC000617039110 400289044 /nfs/dbraw/zinc/28/90/44/400289044.db2.gz CHGXEVVYCHIEOJ-DOTOQJQBSA-N 0 0 320.477 3.324 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000617039758 400289126 /nfs/dbraw/zinc/28/91/26/400289126.db2.gz LQNUPVFRQPYKCM-FDQGKXFDSA-N 0 0 317.477 3.467 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617039151 400289300 /nfs/dbraw/zinc/28/93/00/400289300.db2.gz CYCQTJZXJJLMDL-RHSMWYFYSA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1NC(C)=O ZINC000617041269 400289713 /nfs/dbraw/zinc/28/97/13/400289713.db2.gz BJEVLXQUWHQNHZ-WBVHZDCISA-N 0 0 314.429 3.439 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000617040082 400289730 /nfs/dbraw/zinc/28/97/30/400289730.db2.gz PKIKMRPJRPMDHY-GXTWGEPZSA-N 0 0 319.401 3.274 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC000617040070 400290096 /nfs/dbraw/zinc/29/00/96/400290096.db2.gz PFYWLEZIWLUOGN-DOTOQJQBSA-N 0 0 311.429 3.436 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617042986 400290909 /nfs/dbraw/zinc/29/09/09/400290909.db2.gz XXIUZSAWHXGMGA-GOEBONIOSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000617042747 400291003 /nfs/dbraw/zinc/29/10/03/400291003.db2.gz VKHYWYSCSJTXKQ-CMPLNLGQSA-N 0 0 313.323 3.360 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000617042441 400291203 /nfs/dbraw/zinc/29/12/03/400291203.db2.gz RGWHMDUXRMZTPX-RDJZCZTQSA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC000617041999 400291255 /nfs/dbraw/zinc/29/12/55/400291255.db2.gz LVVVMEQTQRQVLW-IJEWVQPXSA-N 0 0 301.434 3.091 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000617044491 400291740 /nfs/dbraw/zinc/29/17/40/400291740.db2.gz OQCMZKYHRNFECF-DGCLKSJQSA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CCCC2 ZINC000617044472 400292286 /nfs/dbraw/zinc/29/22/86/400292286.db2.gz OGSOUKKMHZCDQM-UKRRQHHQSA-N 0 0 301.434 3.164 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(OC)c1 ZINC000617044392 400292342 /nfs/dbraw/zinc/29/23/42/400292342.db2.gz MYGLGHJDRQRDGH-CABCVRRESA-N 0 0 303.402 3.194 10 30 DGEERN Cc1nc(C)c(NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000610698730 400293311 /nfs/dbraw/zinc/29/33/11/400293311.db2.gz YWABDAMVVBHZRY-UHFFFAOYSA-N 0 0 304.350 3.092 10 30 DGEERN Cc1ccc(C#N)cc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610725468 400296930 /nfs/dbraw/zinc/29/69/30/400296930.db2.gz WDJPNKCALLSXJW-UHFFFAOYSA-N 0 0 324.424 3.331 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@H](C)c2ccccn2)cc1 ZINC000617069796 400297867 /nfs/dbraw/zinc/29/78/67/400297867.db2.gz XDNRZEMRZVWEDY-HNNXBMFYSA-N 0 0 310.397 3.109 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)C1 ZINC000601654717 400323920 /nfs/dbraw/zinc/32/39/20/400323920.db2.gz HRFYTACPOMUCTL-UHFFFAOYSA-N 0 0 302.374 3.332 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC12CCC2 ZINC000610737835 400299069 /nfs/dbraw/zinc/29/90/69/400299069.db2.gz LGYKWMSJHZWGHC-HNNXBMFYSA-N 0 0 300.358 3.300 10 30 DGEERN C=CCN(C(=O)[C@@H]1CC12CCC2)c1nc(C(=O)OCC)cs1 ZINC000610748784 400301048 /nfs/dbraw/zinc/30/10/48/400301048.db2.gz OCHBSUKMVKWLDB-NSHDSACASA-N 0 0 320.414 3.029 10 30 DGEERN CCOc1cccc(CCNc2ncc(C#N)cc2Cl)n1 ZINC000610755536 400301974 /nfs/dbraw/zinc/30/19/74/400301974.db2.gz QSKYRKQTQGMAHT-UHFFFAOYSA-N 0 0 302.765 3.055 10 30 DGEERN CCC1(CC)[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)[C@@H]1OC ZINC000504411244 400306767 /nfs/dbraw/zinc/30/67/67/400306767.db2.gz NAJLQHJTHJZLFK-KFWWJZLASA-N 0 0 321.465 3.161 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000578103689 400325420 /nfs/dbraw/zinc/32/54/20/400325420.db2.gz OKQKJKSATXCEFS-AOIWGVFYSA-N 0 0 317.429 3.128 10 30 DGEERN CCOc1ccc([C@@H](C)NC(=O)COc2ccccc2C#N)cc1 ZINC000029773979 400315131 /nfs/dbraw/zinc/31/51/31/400315131.db2.gz UJHFNOMELCRLHV-CQSZACIVSA-N 0 0 324.380 3.213 10 30 DGEERN C[C@H](NC(=O)N[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 ZINC000610884599 400320362 /nfs/dbraw/zinc/32/03/62/400320362.db2.gz BZPDLTLFJLMHCG-SMDDNHRTSA-N 0 0 307.344 3.496 10 30 DGEERN Cc1ccsc1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000611351455 400383614 /nfs/dbraw/zinc/38/36/14/400383614.db2.gz ZAPROPMZRTZWKB-UHFFFAOYSA-N 0 0 317.389 3.109 10 30 DGEERN C=CCCC1(CNC(=O)CN2CCCCCC2=O)CCCC1 ZINC000617415336 400384301 /nfs/dbraw/zinc/38/43/01/400384301.db2.gz QKGSQLUEPSEISQ-UHFFFAOYSA-N 0 0 306.450 3.032 10 30 DGEERN C=CCCC1(CNC(=O)CCC(=O)c2cnn(C)c2)CCCC1 ZINC000617418241 400384968 /nfs/dbraw/zinc/38/49/68/400384968.db2.gz XJVVJEXVCLEYSA-UHFFFAOYSA-N 0 0 317.433 3.026 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3cnc(C)n3C2)CCCC1 ZINC000617417756 400385164 /nfs/dbraw/zinc/38/51/64/400385164.db2.gz FODSAWHUVKNNHW-INIZCTEOSA-N 0 0 315.461 3.397 10 30 DGEERN Cc1ccc(S(=O)(=O)O/N=C2\CCc3ccccc32)cc1 ZINC000038228873 400395025 /nfs/dbraw/zinc/39/50/25/400395025.db2.gz WDIGLMQKJUEMNB-WUKNDPDISA-N 0 0 301.367 3.051 10 30 DGEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000030691629 400330819 /nfs/dbraw/zinc/33/08/19/400330819.db2.gz JYILPERKVHXLNF-QMNUTNMBSA-N 0 0 300.442 3.284 10 30 in-man DGEERN C=CCCCCCNC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000578762073 400331864 /nfs/dbraw/zinc/33/18/64/400331864.db2.gz YKSBHCGMZNOWCN-UHFFFAOYSA-N 0 0 303.406 3.304 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000579000415 400335099 /nfs/dbraw/zinc/33/50/99/400335099.db2.gz ILPRYOFFFQYNPE-HUUCEWRRSA-N 0 0 324.428 3.254 10 30 DGEERN C=CCOc1ccc(CN2C(=O)N[C@H](C[C@H](C)CC)C2=O)cc1 ZINC000579239781 400337299 /nfs/dbraw/zinc/33/72/99/400337299.db2.gz LREOYGKZEBNONF-CZUORRHYSA-N 0 0 316.401 3.108 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](C(F)F)CC2)c(Cl)c1 ZINC000601972874 400391531 /nfs/dbraw/zinc/39/15/31/400391531.db2.gz HKZXDBCZTVGDIC-ZDUSSCGKSA-N 0 0 300.736 3.068 10 30 DGEERN CC[C@H](C#N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601728977 400341370 /nfs/dbraw/zinc/34/13/70/400341370.db2.gz RXCQCUQZUUUXEB-MSOLQXFVSA-N 0 0 313.445 3.097 10 30 DGEERN CC#CCN(C)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000579755876 400341807 /nfs/dbraw/zinc/34/18/07/400341807.db2.gz JVBGDUMWJVYKAS-GFCCVEGCSA-N 0 0 308.219 3.424 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Cc1ccc([S@](C)=O)cc1 ZINC000601743637 400342397 /nfs/dbraw/zinc/34/23/97/400342397.db2.gz BBHNZNVWBPBFDG-NRFANRHFSA-N 0 0 307.459 3.075 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cccc(CC(=O)OC)c1 ZINC000601744101 400343922 /nfs/dbraw/zinc/34/39/22/400343922.db2.gz HVLVWBANOAVURM-UHFFFAOYSA-N 0 0 303.402 3.124 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000601781508 400348229 /nfs/dbraw/zinc/34/82/29/400348229.db2.gz IICZCUXMRFVXIE-NXEZZACHSA-N 0 0 315.822 3.129 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)OC ZINC000601778526 400348287 /nfs/dbraw/zinc/34/82/87/400348287.db2.gz ONVGOFVGOIYRLJ-MRVPVSSYSA-N 0 0 322.213 3.293 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1csc2ccccc12)C(=O)OC ZINC000601778103 400348605 /nfs/dbraw/zinc/34/86/05/400348605.db2.gz LLCJNKZQMLHLFL-CYBMUJFWSA-N 0 0 303.383 3.139 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1[nH]c2ccc(C)cc2c1C)C(=O)OC ZINC000601781830 400348651 /nfs/dbraw/zinc/34/86/51/400348651.db2.gz LMNDLHCNQQQVAQ-HNNXBMFYSA-N 0 0 314.385 3.022 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000601785740 400349614 /nfs/dbraw/zinc/34/96/14/400349614.db2.gz UHHXAXYDYIVPFE-FZMZJTMJSA-N 0 0 309.793 3.068 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc21)C(=O)OC ZINC000601786544 400349678 /nfs/dbraw/zinc/34/96/78/400349678.db2.gz RKYATQRYJFKPPW-CQSZACIVSA-N 0 0 320.776 3.059 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)Cc1ccc(F)cc1C ZINC000617320220 400351438 /nfs/dbraw/zinc/35/14/38/400351438.db2.gz LOYUJAKSXBBCET-KDOFPFPSSA-N 0 0 307.409 3.410 10 30 DGEERN N#CCc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000611151637 400352125 /nfs/dbraw/zinc/35/21/25/400352125.db2.gz WOKFBHJTSMAKLS-GOSISDBHSA-N 0 0 312.413 3.316 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@H](C)Cc2ccccc2)cc1 ZINC000112007120 400369002 /nfs/dbraw/zinc/36/90/02/400369002.db2.gz FVVIJVUSCIGGQI-OAHLLOKOSA-N 0 0 322.408 3.420 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1ccccc1CCSC ZINC000601929112 400378215 /nfs/dbraw/zinc/37/82/15/400378215.db2.gz ZSVJRJZOEQSZIZ-UHFFFAOYSA-N 0 0 306.475 3.429 10 30 DGEERN CC(C)[C@H](C#N)C(=O)c1ccc(I)cc1 ZINC000041045774 400403350 /nfs/dbraw/zinc/40/33/50/400403350.db2.gz CNKSNSNEHRORQC-NSHDSACASA-N 0 0 313.138 3.270 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000617562696 400410284 /nfs/dbraw/zinc/41/02/84/400410284.db2.gz UZOZAVBGBQYTCQ-UHFFFAOYSA-N 0 0 300.402 3.305 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)NC(C)(C)c2cccc(C#N)c2)c1C ZINC000617562372 400410324 /nfs/dbraw/zinc/41/03/24/400410324.db2.gz JGXQEUOXHCOLAO-UHFFFAOYSA-N 0 0 323.396 3.371 10 30 DGEERN C=CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@H](C)COC ZINC000617576499 400416084 /nfs/dbraw/zinc/41/60/84/400416084.db2.gz VGPOTPZDWJIJTP-GFCCVEGCSA-N 0 0 317.389 3.009 10 30 DGEERN C=CCN(C(=O)c1ccc(-n2cccc2)c(F)c1)[C@H](C)COC ZINC000617578684 400416973 /nfs/dbraw/zinc/41/69/73/400416973.db2.gz OKRFETQIEIEFQM-CQSZACIVSA-N 0 0 316.376 3.280 10 30 DGEERN C=CCN(C(=O)CCCc1cc(F)ccc1F)[C@@H](C)COC ZINC000617580670 400417840 /nfs/dbraw/zinc/41/78/40/400417840.db2.gz BPVFSKGRXBBRIE-ZDUSSCGKSA-N 0 0 311.372 3.337 10 30 DGEERN C=CCN(C(=O)c1sc(CC2CC2)nc1C)[C@@H](C)COC ZINC000617582036 400418927 /nfs/dbraw/zinc/41/89/27/400418927.db2.gz FEVBFAGFCKSJSU-NSHDSACASA-N 0 0 308.447 3.067 10 30 DGEERN CN(C(=O)C[C@H]1CCOc2ccccc21)c1cccc(C#N)c1 ZINC000117630571 400420226 /nfs/dbraw/zinc/42/02/26/400420226.db2.gz VJMXTZRQJRSNSJ-OAHLLOKOSA-N 0 0 306.365 3.477 10 30 DGEERN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611614939 400429260 /nfs/dbraw/zinc/42/92/60/400429260.db2.gz HQTMEZPQKOQVMT-CXAGYDPISA-N 0 0 318.392 3.155 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000042328578 400429259 /nfs/dbraw/zinc/42/92/59/400429259.db2.gz DLVNPOCZVGQVSC-CQSZACIVSA-N 0 0 306.837 3.361 10 30 DGEERN C=CCN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC000602300913 400436563 /nfs/dbraw/zinc/43/65/63/400436563.db2.gz QZJWYBALNPKSTA-UHFFFAOYSA-N 0 0 300.358 3.194 10 30 DGEERN C=CCCSCCNC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000602335183 400441661 /nfs/dbraw/zinc/44/16/61/400441661.db2.gz WJJLWOBPYLXMEE-OAHLLOKOSA-N 0 0 320.458 3.200 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000602343746 400443185 /nfs/dbraw/zinc/44/31/85/400443185.db2.gz DKFZIBDZSGFOPF-UHFFFAOYSA-N 0 0 324.465 3.354 10 30 DGEERN C[C@@H]1C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)O1 ZINC000602342989 400443391 /nfs/dbraw/zinc/44/33/91/400443391.db2.gz OEZJLBNSVPWMBZ-PTRXPTGYSA-N 0 0 323.190 3.073 10 30 DGEERN C[C@@H]1C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](C)O1 ZINC000602342988 400443467 /nfs/dbraw/zinc/44/34/67/400443467.db2.gz OEZJLBNSVPWMBZ-LNLATYFQSA-N 0 0 323.190 3.073 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccccc2)C1 ZINC000617789415 400456236 /nfs/dbraw/zinc/45/62/36/400456236.db2.gz ILOPAMMQNAKYTL-AEFFLSMTSA-N 0 0 314.429 3.069 10 30 DGEERN C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000044894274 400505817 /nfs/dbraw/zinc/50/58/17/400505817.db2.gz RYISUFNRXWVNNJ-SJCJKPOMSA-N 0 0 319.836 3.141 10 30 DGEERN N#CC1(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CCCC1 ZINC000124749685 400478235 /nfs/dbraw/zinc/47/82/35/400478235.db2.gz UHVDWTPRRBXTNF-UHFFFAOYSA-N 0 0 310.397 3.091 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000612085910 400489174 /nfs/dbraw/zinc/48/91/74/400489174.db2.gz SOEDWALWMJDKEY-VIFPVBQESA-N 0 0 317.824 3.309 10 30 DGEERN CN(C[C@H]1CC=CCC1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000612124873 400496375 /nfs/dbraw/zinc/49/63/75/400496375.db2.gz UOEBJNIBWRBNHG-PKOBYXMFSA-N 0 0 323.440 3.342 10 30 DGEERN C=CCN(C(=O)CC1CCC1)c1nc(C(=O)OCC)cs1 ZINC000074723237 400530254 /nfs/dbraw/zinc/53/02/54/400530254.db2.gz MKFDMLOOWKUKGN-UHFFFAOYSA-N 0 0 308.403 3.029 10 30 DGEERN CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000612371222 400533242 /nfs/dbraw/zinc/53/32/42/400533242.db2.gz GBZZNCSBBOTHBQ-ZDUSSCGKSA-N 0 0 301.365 3.195 10 30 DGEERN CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000074978285 400551842 /nfs/dbraw/zinc/55/18/42/400551842.db2.gz KAYJGRMUMBXMNF-ZYHUDNBSSA-N 0 0 312.822 3.021 10 30 DGEERN C=C(C)C[C@H](NCc1sccc1Br)C(=O)OC ZINC000602732395 400555951 /nfs/dbraw/zinc/55/59/51/400555951.db2.gz BNQGMNCPOMFEAO-JTQLQIEISA-N 0 0 318.236 3.108 10 30 DGEERN C=C(C)C[C@@H](NCc1c(Cl)ccc2cccnc21)C(=O)OC ZINC000602732999 400556956 /nfs/dbraw/zinc/55/69/56/400556956.db2.gz GGHAAVZWKQWNIB-OAHLLOKOSA-N 0 0 318.804 3.486 10 30 DGEERN C=C(C)C[C@H](NCc1ccc(SC)c(OC)c1)C(=O)OC ZINC000602734399 400557096 /nfs/dbraw/zinc/55/70/96/400557096.db2.gz NTRIOTHYOWHFBH-ZDUSSCGKSA-N 0 0 309.431 3.015 10 30 DGEERN C=C(C)C[C@H](NCc1c(Cl)ccc2cccnc21)C(=O)OC ZINC000602732998 400557315 /nfs/dbraw/zinc/55/73/15/400557315.db2.gz GGHAAVZWKQWNIB-HNNXBMFYSA-N 0 0 318.804 3.486 10 30 DGEERN C=C(C)CCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603109845 400642935 /nfs/dbraw/zinc/64/29/35/400642935.db2.gz WKROBWACHRFUOJ-LSDHHAIUSA-N 0 0 302.374 3.051 10 30 DGEERN C#Cc1cccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000142046391 400627715 /nfs/dbraw/zinc/62/77/15/400627715.db2.gz YLUIFKUBIMEQBY-MRXNPFEDSA-N 0 0 322.389 3.110 10 30 DGEERN CC(C)(C)OC(=O)NCc1cc(Br)cc(C#N)c1 ZINC000143156828 400633479 /nfs/dbraw/zinc/63/34/79/400633479.db2.gz HFYBFMGMSWCKIJ-UHFFFAOYSA-N 0 0 311.179 3.345 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603115623 400643537 /nfs/dbraw/zinc/64/35/37/400643537.db2.gz ZAEGKMZGEQFWJN-TUKIKUTGSA-N 0 0 302.374 3.049 10 30 DGEERN C=CCCN(CCc1ccccc1)C(=O)C(=C)CCC(=O)OC ZINC000136567647 400591035 /nfs/dbraw/zinc/59/10/35/400591035.db2.gz DXUVFKJBFYUIJB-UHFFFAOYSA-N 0 0 315.413 3.143 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCOc2cccc(C)c2C)cc1 ZINC000138456005 400598699 /nfs/dbraw/zinc/59/86/99/400598699.db2.gz XJLLGDJFJDSYLU-UHFFFAOYSA-N 0 0 320.410 3.396 10 30 DGEERN CCC1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000075713846 400606801 /nfs/dbraw/zinc/60/68/01/400606801.db2.gz YLOQWHJOLHJYBZ-HLIUYOAVSA-N 0 0 300.402 3.411 10 30 DGEERN C=CCOCCCNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000618514463 400608099 /nfs/dbraw/zinc/60/80/99/400608099.db2.gz MQRHOXFXBWZGCP-UHFFFAOYSA-N 0 0 312.413 3.369 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000618520519 400610264 /nfs/dbraw/zinc/61/02/64/400610264.db2.gz FLUIOSUGNXFJDT-OAHLLOKOSA-N 0 0 305.418 3.286 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000618520771 400610763 /nfs/dbraw/zinc/61/07/63/400610763.db2.gz JCKFHNJFFNVXRG-UHFFFAOYSA-N 0 0 307.438 3.084 10 30 DGEERN C=CCOCCCNC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000618526284 400611713 /nfs/dbraw/zinc/61/17/13/400611713.db2.gz PPDYVIURBYKNEA-UHFFFAOYSA-N 0 0 323.383 3.486 10 30 DGEERN C=CCOCCCNC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000618526161 400611867 /nfs/dbraw/zinc/61/18/67/400611867.db2.gz MUNGEBFRIYPNRR-UHFFFAOYSA-N 0 0 310.397 3.380 10 30 DGEERN C=C1CCN(c2nnc(-c3scnc3C)n2CC2CC2)CC1 ZINC000613051494 400649120 /nfs/dbraw/zinc/64/91/20/400649120.db2.gz SUIVFLRJNPVHMQ-UHFFFAOYSA-N 0 0 315.446 3.276 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000603157551 400650497 /nfs/dbraw/zinc/65/04/97/400650497.db2.gz QLBONWNGZWNSKC-MAUKXSAKSA-N 0 0 311.429 3.198 10 30 DGEERN CC(C)[C@@H](C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000148238975 400654724 /nfs/dbraw/zinc/65/47/24/400654724.db2.gz UNTBFWRGIRZZGF-JOYOIKCWSA-N 0 0 315.200 3.425 10 30 DGEERN CC(C)[C@H](C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000148238771 400654010 /nfs/dbraw/zinc/65/40/10/400654010.db2.gz UNTBFWRGIRZZGF-CABZTGNLSA-N 0 0 315.200 3.425 10 30 DGEERN CC(=O)N1CCC(CNc2cccc(-n3cccc3)c2C#N)CC1 ZINC000603287457 400664933 /nfs/dbraw/zinc/66/49/33/400664933.db2.gz AJXQYTRYPDHPFI-UHFFFAOYSA-N 0 0 322.412 3.019 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]2C#N)C12CCCC2 ZINC000613166448 400666469 /nfs/dbraw/zinc/66/64/69/400666469.db2.gz SCMWZNLXQUZMTP-XUWVNRHRSA-N 0 0 319.449 3.058 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000076950943 400681601 /nfs/dbraw/zinc/68/16/01/400681601.db2.gz AKIUYRIKINBMMY-UHFFFAOYSA-N 0 0 316.449 3.180 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C#N ZINC000077024441 400686149 /nfs/dbraw/zinc/68/61/49/400686149.db2.gz WJSFRTDWDKHVGE-QMMMGPOBSA-N 0 0 301.173 3.179 10 30 DGEERN N#Cc1cc(CNc2ccc(F)c(Br)c2)ccn1 ZINC000158198127 400722645 /nfs/dbraw/zinc/72/26/45/400722645.db2.gz NAWLOMAEGRTCFR-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cn2)cc1 ZINC000159550604 400730125 /nfs/dbraw/zinc/73/01/25/400730125.db2.gz FCOAODFAHJVMOH-CQSZACIVSA-N 0 0 323.396 3.479 10 30 DGEERN C#C[C@H](C)Nc1ncc(Br)cc1Br ZINC000166900949 400755698 /nfs/dbraw/zinc/75/56/98/400755698.db2.gz ORQAMVWAWNDGQM-LURJTMIESA-N 0 0 303.985 3.040 10 30 DGEERN Cc1nnc(NCCCCOCc2ccccc2)c(C#N)c1C ZINC000050933193 400692312 /nfs/dbraw/zinc/69/23/12/400692312.db2.gz VMQXVXUTNRYXLR-UHFFFAOYSA-N 0 0 310.401 3.374 10 30 DGEERN C=C(C)CN(C)C(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC000613305307 400693876 /nfs/dbraw/zinc/69/38/76/400693876.db2.gz RBPXVNKSWMDDGA-UHFFFAOYSA-N 0 0 305.328 3.458 10 30 DGEERN C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618821186 400694786 /nfs/dbraw/zinc/69/47/86/400694786.db2.gz KJBKJQBTSAPMQX-UGSOOPFHSA-N 0 0 320.396 3.043 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000171822743 400808182 /nfs/dbraw/zinc/80/81/82/400808182.db2.gz FJQZBEBWELCPNB-CYBMUJFWSA-N 0 0 318.417 3.372 10 30 DGEERN CC(C)(CO)[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000619254205 400809746 /nfs/dbraw/zinc/80/97/46/400809746.db2.gz IWDUPDWFXNDSLI-OAHLLOKOSA-N 0 0 314.410 3.109 10 30 DGEERN C=CCCCCNC(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000613596259 400758645 /nfs/dbraw/zinc/75/86/45/400758645.db2.gz SCFSNDFAYHPZLG-UHFFFAOYSA-N 0 0 315.339 3.324 10 30 DGEERN C=CCCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000613596449 400758829 /nfs/dbraw/zinc/75/88/29/400758829.db2.gz VYCIPHMUSOEKIZ-UHFFFAOYSA-N 0 0 300.402 3.027 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000613609797 400760547 /nfs/dbraw/zinc/76/05/47/400760547.db2.gz CMGPWZNHVGQWPU-MRXNPFEDSA-N 0 0 314.385 3.459 10 30 DGEERN C=CCC1(NC(=O)[C@H](C)Oc2ccc(OC)cc2)CCCC1 ZINC000619115038 400772915 /nfs/dbraw/zinc/77/29/15/400772915.db2.gz SCIOXKDIROVXGQ-AWEZNQCLSA-N 0 0 303.402 3.468 10 30 DGEERN C=CCNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000053512285 400788481 /nfs/dbraw/zinc/78/84/81/400788481.db2.gz FHLSXIQZFYILBD-LBPRGKRZSA-N 0 0 301.415 3.371 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000613775321 400789299 /nfs/dbraw/zinc/78/92/99/400789299.db2.gz WZETXYBZHFRIBK-CQSZACIVSA-N 0 0 310.344 3.208 10 30 DGEERN C=CCCCCNC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000613795972 400792015 /nfs/dbraw/zinc/79/20/15/400792015.db2.gz UCOUVPCMHBBXAO-UHFFFAOYSA-N 0 0 310.438 3.108 10 30 DGEERN CSC1(CNc2cc(C#N)c3ccccc3n2)CCOCC1 ZINC000078412825 400798542 /nfs/dbraw/zinc/79/85/42/400798542.db2.gz VYEWEBFXNNLVID-UHFFFAOYSA-N 0 0 313.426 3.431 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000176633944 400871674 /nfs/dbraw/zinc/87/16/74/400871674.db2.gz CJFHMXCXSWLZAL-BZSNNMDCSA-N 0 0 312.413 3.387 10 30 DGEERN N#CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000180044035 400882148 /nfs/dbraw/zinc/88/21/48/400882148.db2.gz KZHDLMFJDLHHID-UHFFFAOYSA-N 0 0 301.349 3.412 10 30 DGEERN Cc1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3n2C)s1 ZINC000180510310 400884311 /nfs/dbraw/zinc/88/43/11/400884311.db2.gz MAUMZCKHGXBUGS-NSHDSACASA-N 0 0 310.382 3.189 10 30 DGEERN C[C@@H](COCc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000172781152 400839238 /nfs/dbraw/zinc/83/92/38/400839238.db2.gz IRNXHNZHJYZXLK-ZDUSSCGKSA-N 0 0 311.341 3.484 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC(C3CCCC3)C2)c(F)c1 ZINC000619427067 400844841 /nfs/dbraw/zinc/84/48/41/400844841.db2.gz VBPGZDXOZBJTLB-UHFFFAOYSA-N 0 0 301.365 3.029 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000180928105 400886038 /nfs/dbraw/zinc/88/60/38/400886038.db2.gz WAJQDFIOVFWCPO-KGLIPLIRSA-N 0 0 318.417 3.194 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCCCc1c(C)nn(C)c1C ZINC000181021141 400887294 /nfs/dbraw/zinc/88/72/94/400887294.db2.gz GLXTTZDLXKPGPZ-ZDUSSCGKSA-N 0 0 306.454 3.014 10 30 DGEERN CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000056622369 400938771 /nfs/dbraw/zinc/93/87/71/400938771.db2.gz DDQDDKKAIVHAPN-UHFFFAOYSA-N 0 0 311.360 3.081 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000633410703 400940162 /nfs/dbraw/zinc/94/01/62/400940162.db2.gz ROPHQSHMMOXSFC-OAHLLOKOSA-N 0 0 304.381 3.044 10 30 DGEERN C=C(CNC(=O)[C@@H]1COC[C@H]1c1ccccc1)c1ccccc1 ZINC000614863712 400955024 /nfs/dbraw/zinc/95/50/24/400955024.db2.gz AKIWWIPTRLVZIO-RBUKOAKNSA-N 0 0 307.393 3.246 10 30 DGEERN C=C(CNC(=O)[C@H]1COC[C@@H]1c1ccccc1)c1ccccc1 ZINC000614863710 400955255 /nfs/dbraw/zinc/95/52/55/400955255.db2.gz AKIWWIPTRLVZIO-MOPGFXCFSA-N 0 0 307.393 3.246 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000614373766 400889126 /nfs/dbraw/zinc/88/91/26/400889126.db2.gz VKUMPXVLJIPAKC-DGAVXFQQSA-N 0 0 319.367 3.453 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC000614374587 400889265 /nfs/dbraw/zinc/88/92/65/400889265.db2.gz ZGZPLJDRVHVJRA-SJKOYZFVSA-N 0 0 314.360 3.085 10 30 DGEERN C=CCC[C@@H](O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182593636 400894612 /nfs/dbraw/zinc/89/46/12/400894612.db2.gz PTWWTMCBFDVVFU-RNCFNFMXSA-N 0 0 309.278 3.485 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000182620469 400895680 /nfs/dbraw/zinc/89/56/80/400895680.db2.gz PZTHEMIXHCMFQK-NUEKZKHPSA-N 0 0 315.413 3.422 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(CCC#N)CCOC ZINC000619729178 400895727 /nfs/dbraw/zinc/89/57/27/400895727.db2.gz CINLQSJWWWTXSA-UHFFFAOYSA-N 0 0 301.390 3.199 10 30 DGEERN C[C@H](C#N)CNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000182724849 400896757 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/nfs/dbraw/zinc/56/79/85/401567985.db2.gz NOMRRZBEWLYSBO-GJZGRUSLSA-N 0 0 304.438 3.096 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1nnn(CC2CCCC2)c1C ZINC000628313662 401574418 /nfs/dbraw/zinc/57/44/18/401574418.db2.gz XFWNDWMZEKTAHM-UHFFFAOYSA-N 0 0 304.438 3.109 10 30 DGEERN C=CC(C)(C)CCNC(=O)C[C@@H]1COc2cc(OC)ccc21 ZINC000628314952 401574493 /nfs/dbraw/zinc/57/44/93/401574493.db2.gz TVYHMKAWXUYXPC-CYBMUJFWSA-N 0 0 303.402 3.280 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000628314111 401574588 /nfs/dbraw/zinc/57/45/88/401574588.db2.gz MWGXHTYVIQKCCS-UHFFFAOYSA-N 0 0 303.328 3.168 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC000628316929 401574905 /nfs/dbraw/zinc/57/49/05/401574905.db2.gz PLZKBWWKEMNKPM-CQSZACIVSA-N 0 0 303.402 3.375 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccccc1OCCOCC ZINC000628317036 401574930 /nfs/dbraw/zinc/57/49/30/401574930.db2.gz UGFAJXJSWAXTGU-UHFFFAOYSA-N 0 0 305.418 3.434 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000628318417 401575708 /nfs/dbraw/zinc/57/57/08/401575708.db2.gz DKYNJRPMJOCICP-GFCCVEGCSA-N 0 0 322.836 3.177 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H]2COc3cc(F)cc(F)c32)C1 ZINC000623881733 401593688 /nfs/dbraw/zinc/59/36/88/401593688.db2.gz YFGMOQLMKLOKQP-GWCFXTLKSA-N 0 0 308.328 3.006 10 30 DGEERN C=C(C)COc1cc(CN2CC3(C2)CCCO3)ccc1OC ZINC000628426704 401595989 /nfs/dbraw/zinc/59/59/89/401595989.db2.gz HDNKQUFGPLRHGW-UHFFFAOYSA-N 0 0 303.402 3.015 10 30 DGEERN C=C[C@H](C)NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000631755826 401550379 /nfs/dbraw/zinc/55/03/79/401550379.db2.gz JDZBHQQNJPALBE-ZLCVWYCYSA-N 0 0 306.203 3.026 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCNC1=O ZINC000632754116 401623826 /nfs/dbraw/zinc/62/38/26/401623826.db2.gz ZREDIBPPYNULRL-OAHLLOKOSA-N 0 0 300.402 3.003 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000624156211 401632838 /nfs/dbraw/zinc/63/28/38/401632838.db2.gz UMBWXPYLKSOQCV-LBPRGKRZSA-N 0 0 306.406 3.276 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@](C)(OC)c2ccccc2)C1 ZINC000624154053 401633072 /nfs/dbraw/zinc/63/30/72/401633072.db2.gz ASIHVYNXLKZHJF-QAPCUYQASA-N 0 0 302.418 3.156 10 30 DGEERN C=C1CC(C)(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000632888793 401635352 /nfs/dbraw/zinc/63/53/52/401635352.db2.gz QFZKAYPWCOMHDI-HNNXBMFYSA-N 0 0 314.429 3.021 10 30 DGEERN C=C1CC(C)(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000632925560 401638924 /nfs/dbraw/zinc/63/89/24/401638924.db2.gz PJWPYXWMSMGJRI-UHFFFAOYSA-N 0 0 320.383 3.360 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000624210662 401639577 /nfs/dbraw/zinc/63/95/77/401639577.db2.gz TZWWWENTGISENW-KURKYZTESA-N 0 0 314.429 3.041 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)C1 ZINC000628485497 401606435 /nfs/dbraw/zinc/60/64/35/401606435.db2.gz MKQASMGJHKSENM-VBQJREDUSA-N 0 0 312.413 3.319 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000628487186 401606777 /nfs/dbraw/zinc/60/67/77/401606777.db2.gz 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/nfs/dbraw/zinc/60/77/20/401607720.db2.gz SNWPHDMHJUCNTN-LBPRGKRZSA-N 0 0 308.447 3.371 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000628492129 401607794 /nfs/dbraw/zinc/60/77/94/401607794.db2.gz OLXPYADKCVUURH-BFWZDYSYSA-N 0 0 321.461 3.165 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(O)cc(Br)c2)C1 ZINC000628494748 401608301 /nfs/dbraw/zinc/60/83/01/401608301.db2.gz YCSOPDWBAPBMRX-SNVBAGLBSA-N 0 0 310.191 3.193 10 30 DGEERN C=C(C)COCCNc1nccc(N2Cc3ccccc3C2)n1 ZINC000624038464 401616995 /nfs/dbraw/zinc/61/69/95/401616995.db2.gz ITWOSOQUJZIMRR-UHFFFAOYSA-N 0 0 310.401 3.001 10 30 DGEERN CO[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000221018764 286074526 /nfs/dbraw/zinc/07/45/26/286074526.db2.gz WYGAFIJSZRZAKP-HZMBPMFUSA-N 0 0 309.207 3.182 10 30 DGEERN C=C1CC(C)(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)C1 ZINC000633086827 401649942 /nfs/dbraw/zinc/64/99/42/401649942.db2.gz DGWYRWHECTUTKP-ZDUSSCGKSA-N 0 0 314.433 3.195 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)C1CCCCC1 ZINC000628981475 401653057 /nfs/dbraw/zinc/65/30/57/401653057.db2.gz PBGGDWDKYYNPGD-RHSMWYFYSA-N 0 0 308.466 3.132 10 30 DGEERN C=CCCNC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000624346151 401654328 /nfs/dbraw/zinc/65/43/28/401654328.db2.gz CGYGKCBGRKEPSW-UHFFFAOYSA-N 0 0 309.772 3.378 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)COc2c(F)cccc2F)C1 ZINC000624363049 401655469 /nfs/dbraw/zinc/65/54/69/401655469.db2.gz OUEUNDFFNXUQEJ-QWHCGFSZSA-N 0 0 324.371 3.340 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2cccc(OC3CC3)c2F)C1 ZINC000624360298 401655499 /nfs/dbraw/zinc/65/54/99/401655499.db2.gz DFSWSYZWBLAUAU-CYBMUJFWSA-N 0 0 318.392 3.475 10 30 DGEERN C=CCCCNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633196446 401659489 /nfs/dbraw/zinc/65/94/89/401659489.db2.gz GZHHGTMWPOSODU-ZDUSSCGKSA-N 0 0 316.323 3.004 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000624459513 401662399 /nfs/dbraw/zinc/66/23/99/401662399.db2.gz FJFQVHOYHJPLLU-IAQYHMDHSA-N 0 0 304.381 3.043 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC1CCN(c2nccs2)CC1 ZINC000624463644 401662539 /nfs/dbraw/zinc/66/25/39/401662539.db2.gz SAKJPFXNVAPAJU-UHFFFAOYSA-N 0 0 322.478 3.013 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000624462942 401662717 /nfs/dbraw/zinc/66/27/17/401662717.db2.gz KSNTXITUHFTDIP-CYBMUJFWSA-N 0 0 304.438 3.115 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000624468062 401663084 /nfs/dbraw/zinc/66/30/84/401663084.db2.gz QUHYUZVLCZWEBX-UHFFFAOYSA-N 0 0 320.433 3.448 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000624470113 401663221 /nfs/dbraw/zinc/66/32/21/401663221.db2.gz OGJRPOQKTNFCIM-CQSZACIVSA-N 0 0 318.417 3.070 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)CCOc1ccccc1F ZINC000624470240 401663526 /nfs/dbraw/zinc/66/35/26/401663526.db2.gz WATZRXPALQGEMJ-UHFFFAOYSA-N 0 0 308.397 3.448 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3CO2)C1 ZINC000624511292 401666896 /nfs/dbraw/zinc/66/68/96/401666896.db2.gz XDSRGZAYVGMLES-QAPCUYQASA-N 0 0 314.429 3.126 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629145575 401668704 /nfs/dbraw/zinc/66/87/04/401668704.db2.gz PGPBKGNBQYRIHP-HIFRSBDPSA-N 0 0 303.427 3.262 10 30 DGEERN C=CCC1(CNC(=O)N[C@H]2CCCn3nccc32)CCCC1 ZINC000633286214 401669629 /nfs/dbraw/zinc/66/96/29/401669629.db2.gz FAQCIFRNWPTIRF-AWEZNQCLSA-N 0 0 302.422 3.154 10 30 DGEERN C=CCC(F)(F)c1nc(-c2cccc(OC(F)F)n2)no1 ZINC000624685129 401682137 /nfs/dbraw/zinc/68/21/37/401682137.db2.gz ZDPHIPDULGAKBA-UHFFFAOYSA-N 0 0 303.215 3.401 10 30 DGEERN C=C(C)CN(CC)C(=O)COc1ccc(C2CCOCC2)cc1 ZINC000629390156 401683657 /nfs/dbraw/zinc/68/36/57/401683657.db2.gz LMJCVFGVYMAFAU-UHFFFAOYSA-N 0 0 317.429 3.384 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000150794636 286464845 /nfs/dbraw/zinc/46/48/45/286464845.db2.gz LQPXUHKLZHHWKU-SJORKVTESA-N 0 0 312.413 3.368 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc(Br)c1 ZINC000175236348 164752242 /nfs/dbraw/zinc/75/22/42/164752242.db2.gz ZYWIUACMZVGLDJ-VIFPVBQESA-N 0 0 318.174 3.140 10 30 DGEERN C[C@@H](CC1CCCC1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183662139 164956988 /nfs/dbraw/zinc/95/69/88/164956988.db2.gz DRLHUTMHADNXNL-ZDUSSCGKSA-N 0 0 323.400 3.294 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000184001937 164964574 /nfs/dbraw/zinc/96/45/74/164964574.db2.gz ZMKMBNWPKVCSRY-LJQANCHMSA-N 0 0 307.397 3.134 10 30 DGEERN N#Cc1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185872436 165018818 /nfs/dbraw/zinc/01/88/18/165018818.db2.gz JUCFEMCRSBOVKL-UHFFFAOYSA-N 0 0 300.365 3.305 10 30 DGEERN CCOc1ccccc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185850872 165018964 /nfs/dbraw/zinc/01/89/64/165018964.db2.gz CPMPMSQRNWHROA-UHFFFAOYSA-N 0 0 319.368 3.150 10 30 DGEERN COc1cccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000185999262 165023722 /nfs/dbraw/zinc/02/37/22/165023722.db2.gz WPNLLQIIXZXPBO-ZDUSSCGKSA-N 0 0 319.368 3.321 10 30 DGEERN C[C@H]1Cc2ccccc2[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186012561 165025119 /nfs/dbraw/zinc/02/51/19/165025119.db2.gz URDSJZACSHRQPQ-SCLBCKFNSA-N 0 0 315.380 3.484 10 30 DGEERN CCC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccn1 ZINC000186020673 165025178 /nfs/dbraw/zinc/02/51/78/165025178.db2.gz FSJVODIOCQHHNW-QGZVFWFLSA-N 0 0 318.384 3.487 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000186028390 165025316 /nfs/dbraw/zinc/02/53/16/165025316.db2.gz RHYVTGBFVSVKFO-QGZVFWFLSA-N 0 0 319.343 3.377 10 30 DGEERN CN1CC[C@H](CNC(=O)c2cccc(F)c2C#N)c2ccccc21 ZINC000187025495 165072909 /nfs/dbraw/zinc/07/29/09/165072909.db2.gz OPQDLGIKQVKYRU-CYBMUJFWSA-N 0 0 323.371 3.051 10 30 DGEERN CN1CC[C@@H](CNC(=O)c2cccc(F)c2C#N)c2ccccc21 ZINC000187025515 165073393 /nfs/dbraw/zinc/07/33/93/165073393.db2.gz OPQDLGIKQVKYRU-ZDUSSCGKSA-N 0 0 323.371 3.051 10 30 DGEERN CCC1(CC)CN(Cc2ccc(Cl)cc2C#N)CC[S@@]1=O ZINC000187562244 165095755 /nfs/dbraw/zinc/09/57/55/165095755.db2.gz QFHIXRLKHRFTHM-NRFANRHFSA-N 0 0 324.877 3.335 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189164876 165151411 /nfs/dbraw/zinc/15/14/11/165151411.db2.gz LIZALMFYMDUVLR-UHFFFAOYSA-N 0 0 312.413 3.431 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3ccc(F)cc3F)C2)o1 ZINC000190134488 165189435 /nfs/dbraw/zinc/18/94/35/165189435.db2.gz HDECGHKFLCNOGQ-INIZCTEOSA-N 0 0 304.296 3.003 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)o1 ZINC000190134511 165190110 /nfs/dbraw/zinc/19/01/10/165190110.db2.gz HDECGHKFLCNOGQ-MRXNPFEDSA-N 0 0 304.296 3.003 10 30 DGEERN COC(=O)c1c(F)cccc1NCc1ccc(C#N)c(F)c1 ZINC000190371133 165201456 /nfs/dbraw/zinc/20/14/56/165201456.db2.gz HSYXPCPWCTXKJJ-UHFFFAOYSA-N 0 0 302.280 3.235 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccn1 ZINC000192478433 165293328 /nfs/dbraw/zinc/29/33/28/165293328.db2.gz FZEXLPBPSLIBPM-UHFFFAOYSA-N 0 0 307.231 3.104 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccn1 ZINC000192573172 165296145 /nfs/dbraw/zinc/29/61/45/165296145.db2.gz JWJBFCQLWZESRR-UHFFFAOYSA-N 0 0 311.772 3.411 10 30 DGEERN N#Cc1cc(C(=O)NCCc2cc(Cl)cc(Cl)c2)ccn1 ZINC000192940572 165313141 /nfs/dbraw/zinc/31/31/41/165313141.db2.gz ITPZJWSGVUZEGZ-UHFFFAOYSA-N 0 0 320.179 3.233 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccn1 ZINC000193296971 165322540 /nfs/dbraw/zinc/32/25/40/165322540.db2.gz JIZQMZLEXNGHJN-UHFFFAOYSA-N 0 0 309.373 3.366 10 30 DGEERN Cc1cc(Oc2ccc(NC(=O)c3ccnc(C#N)c3)cc2)n[nH]1 ZINC000193517151 165327025 /nfs/dbraw/zinc/32/70/25/165327025.db2.gz BHULWLJNRVHMTC-UHFFFAOYSA-N 0 0 319.324 3.029 10 30 DGEERN Cc1coc(-c2cccc(NC(=O)c3ccnc(C#N)c3)c2)n1 ZINC000193523673 165327068 /nfs/dbraw/zinc/32/70/68/165327068.db2.gz CAOWLBRZVQJTII-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000247164701 165568843 /nfs/dbraw/zinc/56/88/43/165568843.db2.gz ZOZGZZHRFJMYMQ-CTASWTNQSA-N 0 0 300.402 3.266 10 30 DGEERN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000129420937 196046766 /nfs/dbraw/zinc/04/67/66/196046766.db2.gz ZBNBWJVLFAYZBD-FMKPAKJESA-N 0 0 300.402 3.411 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000136932995 432167303 /nfs/dbraw/zinc/16/73/03/432167303.db2.gz CNYGHPIXMNHCMN-ZDUSSCGKSA-N 0 0 323.400 3.162 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000136932932 432167386 /nfs/dbraw/zinc/16/73/86/432167386.db2.gz CNYGHPIXMNHCMN-CYBMUJFWSA-N 0 0 323.400 3.162 10 30 DGEERN C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000246969988 432187273 /nfs/dbraw/zinc/18/72/73/432187273.db2.gz RTVQBKQHTQTRDY-KGLIPLIRSA-N 0 0 321.490 3.137 10 30 DGEERN C=CCC1(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)CCC1 ZINC000190881693 432197191 /nfs/dbraw/zinc/19/71/91/432197191.db2.gz LPPTYYFLEAWDSG-CYBMUJFWSA-N 0 0 310.438 3.152 10 30 DGEERN N#Cc1cc(NC(=O)Cc2cnc3ccccc3c2)ccc1F ZINC000130683074 196101596 /nfs/dbraw/zinc/10/15/96/196101596.db2.gz UYADCMWNQIQNQR-UHFFFAOYSA-N 0 0 305.312 3.427 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000269747345 432204227 /nfs/dbraw/zinc/20/42/27/432204227.db2.gz BCRACWBRSDDJGX-CRAIPNDOSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000191131561 432225736 /nfs/dbraw/zinc/22/57/36/432225736.db2.gz HOAIGXXZXCCHNV-OAHLLOKOSA-N 0 0 308.809 3.171 10 30 DGEERN N#Cc1cc(F)c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000151174476 432226631 /nfs/dbraw/zinc/22/66/31/432226631.db2.gz DTPMESIQJPVGPP-ZIAGYGMSSA-N 0 0 312.319 3.370 10 30 DGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@H](C)CO ZINC000247297461 432220396 /nfs/dbraw/zinc/22/03/96/432220396.db2.gz UXGAILHKGABUJO-JHJVBQTASA-N 0 0 321.446 3.219 10 30 DGEERN Clc1cccc(C#CCN2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000182734646 432222841 /nfs/dbraw/zinc/22/28/41/432222841.db2.gz HYWHNURNENSCPZ-HNNXBMFYSA-N 0 0 300.793 3.037 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCOC2(C1)CCCCCC2 ZINC000133057709 196308181 /nfs/dbraw/zinc/30/81/81/196308181.db2.gz NEURIGIXPFFWNU-UHFFFAOYSA-N 0 0 312.413 3.432 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2C)C12CCC2 ZINC000133109531 196312569 /nfs/dbraw/zinc/31/25/69/196312569.db2.gz FUGYNMBZHSMQBP-DLBZAZTESA-N 0 0 312.413 3.286 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)c1c(F)cc(C#N)cc1F ZINC000133929655 196347213 /nfs/dbraw/zinc/34/72/13/196347213.db2.gz RODGSVFHXLQFNE-CYBMUJFWSA-N 0 0 322.355 3.258 10 30 DGEERN Cc1cc(OCc2nc(-c3ccsc3)no2)c(C#N)c(C)n1 ZINC000150905994 196601386 /nfs/dbraw/zinc/60/13/86/196601386.db2.gz KKLNWDDFEJYIDQ-UHFFFAOYSA-N 0 0 312.354 3.261 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290681525 335074445 /nfs/dbraw/zinc/07/44/45/335074445.db2.gz PFMNSBOBHCTHIA-KXBFYZLASA-N 0 0 319.420 3.182 10 30 DGEERN Oc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1 ZINC000108420621 226911584 /nfs/dbraw/zinc/91/15/84/226911584.db2.gz TZUIBFIRWVRWST-ZDLGFXPLSA-N 0 0 310.382 3.158 10 30 DGEERN Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)C3CC3)cs2)cc1 ZINC000108837666 226914674 /nfs/dbraw/zinc/91/46/74/226914674.db2.gz KCUNZRMXEFJYDD-OAHLLOKOSA-N 0 0 311.410 3.079 10 30 DGEERN C[C@H]1CC[C@@H](C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)O1 ZINC000133753105 227038891 /nfs/dbraw/zinc/03/88/91/227038891.db2.gz ABTHYTKAYQWJLY-MCMJNGCASA-N 0 0 316.445 3.265 10 30 DGEERN C[C@H](Nc1ccn(CCC#N)n1)c1nnc(-c2ccccc2)o1 ZINC000152784844 227078504 /nfs/dbraw/zinc/07/85/04/227078504.db2.gz LVRQIOUUOFABQL-LBPRGKRZSA-N 0 0 308.345 3.020 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000184608765 335080640 /nfs/dbraw/zinc/08/06/40/335080640.db2.gz PIRHZSQHNYXVKV-WMLDXEAASA-N 0 0 305.418 3.226 10 30 DGEERN C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)c1cccnc1 ZINC000174736173 228293353 /nfs/dbraw/zinc/29/33/53/228293353.db2.gz QHICVBZSPIKNAX-HNAYVOBHSA-N 0 0 307.397 3.216 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000159874596 228243924 /nfs/dbraw/zinc/24/39/24/228243924.db2.gz PBJFQVOPBOLPIC-UHFFFAOYSA-N 0 0 323.377 3.163 10 30 DGEERN CCn1c2ccccc2nc1NC(=O)c1ccc(C#N)cc1C ZINC000160544865 228247424 /nfs/dbraw/zinc/24/74/24/228247424.db2.gz YPFJORAYVDYTNU-UHFFFAOYSA-N 0 0 304.353 3.489 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000162475137 228257741 /nfs/dbraw/zinc/25/77/41/228257741.db2.gz SPHKQNJXLCRXTL-UHFFFAOYSA-N 0 0 321.365 3.033 10 30 DGEERN CCn1ncc2ccc(NC(=O)c3ccc(C#N)cc3C)cc21 ZINC000163590244 228262792 /nfs/dbraw/zinc/26/27/92/228262792.db2.gz PMOUFJLIKZEKIB-UHFFFAOYSA-N 0 0 304.353 3.489 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1c(F)cc(F)cc1F ZINC000175297165 228299470 /nfs/dbraw/zinc/29/94/70/228299470.db2.gz XVPTXQIDDVACMK-VIFPVBQESA-N 0 0 320.270 3.382 10 30 DGEERN Cc1cc2sc(NC(=O)c3cc(C#N)cn3C)nc2c(C)c1 ZINC000176421617 228312510 /nfs/dbraw/zinc/31/25/10/228312510.db2.gz TXFSQSIBPZKXFE-UHFFFAOYSA-N 0 0 310.382 3.376 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)NCCc1cc(F)ccc1F ZINC000177909920 228335695 /nfs/dbraw/zinc/33/56/95/228335695.db2.gz FBQRGEBGMMDUDG-UHFFFAOYSA-N 0 0 319.286 3.340 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000178665621 228344844 /nfs/dbraw/zinc/34/48/44/228344844.db2.gz ADTJJNQHSODMSJ-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179836657 228353327 /nfs/dbraw/zinc/35/33/27/228353327.db2.gz LONJWUQRCVSTTI-HCKVZZMMSA-N 0 0 304.777 3.026 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000188951298 228473136 /nfs/dbraw/zinc/47/31/36/228473136.db2.gz NLOFSOPASJGATB-MSOLQXFVSA-N 0 0 320.367 3.401 10 30 DGEERN COCCOc1ccc(C#N)cc1NCC#Cc1ccccc1 ZINC000190398706 228506124 /nfs/dbraw/zinc/50/61/24/228506124.db2.gz QGOJVWQRKDDRBW-UHFFFAOYSA-N 0 0 306.365 3.047 10 30 DGEERN Cn1ncc2c1C[C@H](C(=O)NCc1ccc3ccccc3n1)CC2 ZINC000328684671 228908354 /nfs/dbraw/zinc/90/83/54/228908354.db2.gz WXJRMCIAJFEQOK-CQSZACIVSA-N 0 0 320.396 3.230 10 30 DGEERN C[C@H]1C[C@H](C(=O)Nc2ccc3nc(N(C)C)oc3c2)CCC1=O ZINC000328978640 228924993 /nfs/dbraw/zinc/92/49/93/228924993.db2.gz XBLLOVNEHZBYJA-WDEREUQCSA-N 0 0 315.373 3.487 10 30 DGEERN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2C[C@@]23CCOC3)c1 ZINC000329541552 228948695 /nfs/dbraw/zinc/94/86/95/228948695.db2.gz DLZAKCKGNLDKCZ-PZSREKOKSA-N 0 0 305.374 3.148 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1csc(-c2ccccn2)n1 ZINC000329757716 228958532 /nfs/dbraw/zinc/95/85/32/228958532.db2.gz ZNJATBMIKUDREG-WDEREUQCSA-N 0 0 313.386 3.223 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000333064727 229036724 /nfs/dbraw/zinc/03/67/24/229036724.db2.gz FMDCLLWGFGHGCJ-JYJNAYRXSA-N 0 0 319.449 3.250 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCC(OC3CCCC3)CC2)C1 ZINC000333222943 229037428 /nfs/dbraw/zinc/03/74/28/229037428.db2.gz WLDAMUKTYPBYIM-GJZGRUSLSA-N 0 0 319.449 3.202 10 30 DGEERN N#C[C@@]1(c2nc(CCC3CCOCC3)no2)CC12CCCC2 ZINC000333861965 229039810 /nfs/dbraw/zinc/03/98/10/229039810.db2.gz RVUSEYJRFKLFHT-QGZVFWFLSA-N 0 0 301.390 3.154 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CSCc1cccc(Cl)c1 ZINC000359691318 229382962 /nfs/dbraw/zinc/38/29/62/229382962.db2.gz YTAAPKOVFAXDTP-JSGCOSHPSA-N 0 0 308.834 3.382 10 30 DGEERN N#C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccccn1 ZINC000359923909 229385448 /nfs/dbraw/zinc/38/54/48/229385448.db2.gz MCASNQQSKZMPKK-GFCCVEGCSA-N 0 0 316.158 3.090 10 30 DGEERN N#Cc1c(Cl)nsc1NCCOc1ccc(F)cc1F ZINC000301188718 229552085 /nfs/dbraw/zinc/55/20/85/229552085.db2.gz LGOULAHKEHDDCU-UHFFFAOYSA-N 0 0 315.732 3.437 10 30 DGEERN N#Cc1nc(NCc2cc(=O)[nH]c3ccccc23)ccc1Cl ZINC000301591919 229763600 /nfs/dbraw/zinc/76/36/00/229763600.db2.gz YKJRVKANVASAHB-UHFFFAOYSA-N 0 0 310.744 3.473 10 30 DGEERN C[C@@H](OCCCNC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000531386211 269849352 /nfs/dbraw/zinc/84/93/52/269849352.db2.gz NZDCSFUJKDLGIP-MRXNPFEDSA-N 0 0 322.408 3.385 10 30 DGEERN C[C@H]1c2c(F)cccc2CCN1C(=O)Cc1cccc(C#N)c1 ZINC000530915154 269898825 /nfs/dbraw/zinc/89/88/25/269898825.db2.gz TUAVEQYPEAZOFP-ZDUSSCGKSA-N 0 0 308.356 3.386 10 30 DGEERN N#Cc1cccc(CC(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000530675340 269971764 /nfs/dbraw/zinc/97/17/64/269971764.db2.gz OALIYOXDCMRQRH-UHFFFAOYSA-N 0 0 314.335 3.395 10 30 DGEERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(C#N)ccn1 ZINC000357414862 270003823 /nfs/dbraw/zinc/00/38/23/270003823.db2.gz OGZXTNVIOYFTBH-LLVKDONJSA-N 0 0 315.760 3.321 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)c2ccc(C#N)o2)cc1)[C@@H]1C[C@@H]1C ZINC000360447321 265656763 /nfs/dbraw/zinc/65/67/63/265656763.db2.gz RIEFWBLQOGEWFF-MEDUHNTESA-N 0 0 323.352 3.165 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000182821823 432231521 /nfs/dbraw/zinc/23/15/21/432231521.db2.gz QNCPDLSGKNJLQP-VIFPVBQESA-N 0 0 322.714 3.417 10 30 DGEERN CC(C)[C@H]1OCCC[C@H]1Nc1nccc(NCC(C)(C)C#N)n1 ZINC000618680530 425103629 /nfs/dbraw/zinc/10/36/29/425103629.db2.gz JRMHDIILVOSCGH-UKRRQHHQSA-N 0 0 317.437 3.054 10 30 DGEERN CC(C)[C@@H]1OCCC[C@H]1Nc1nccc(NCC(C)(C)C#N)n1 ZINC000618680529 425103988 /nfs/dbraw/zinc/10/39/88/425103988.db2.gz JRMHDIILVOSCGH-HIFRSBDPSA-N 0 0 317.437 3.054 10 30 DGEERN CC(C)[C@H]1OCCC[C@@H]1Nc1nccc(NCC(C)(C)C#N)n1 ZINC000618680525 425104060 /nfs/dbraw/zinc/10/40/60/425104060.db2.gz JRMHDIILVOSCGH-DZGCQCFKSA-N 0 0 317.437 3.054 10 30 DGEERN CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000507503436 266944187 /nfs/dbraw/zinc/94/41/87/266944187.db2.gz WGJGZPUGPFYCII-OCCSQVGLSA-N 0 0 324.421 3.190 10 30 DGEERN CCS[C@H]1CCCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000530676082 267181953 /nfs/dbraw/zinc/18/19/53/267181953.db2.gz SCFLZTLVHGAGMG-INIZCTEOSA-N 0 0 302.443 3.235 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O ZINC000272366003 267207286 /nfs/dbraw/zinc/20/72/86/267207286.db2.gz ZHANKPRONCZEQO-ZFVVBOAOSA-N 0 0 323.396 3.215 10 30 DGEERN CN1CCCN(C(=O)Cc2cccc(C#N)c2)c2cc(F)ccc21 ZINC000531152921 267333693 /nfs/dbraw/zinc/33/36/93/267333693.db2.gz BHNTVQSOFFTUNH-UHFFFAOYSA-N 0 0 323.371 3.113 10 30 DGEERN Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2cccc(C#N)c2)s1 ZINC000531389988 268074944 /nfs/dbraw/zinc/07/49/44/268074944.db2.gz GODPPFBVTZZSSV-GFCCVEGCSA-N 0 0 313.426 3.394 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000448906625 268114542 /nfs/dbraw/zinc/11/45/42/268114542.db2.gz GRJWQFUVFXJVLD-KRWDZBQOSA-N 0 0 311.360 3.307 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC(OC3CCCC3)CC2)c1 ZINC000531392537 268271858 /nfs/dbraw/zinc/27/18/58/268271858.db2.gz BRPSSKQDSZDYMU-UHFFFAOYSA-N 0 0 312.413 3.051 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCc3c(F)ccc(F)c32)c1 ZINC000531861679 268273380 /nfs/dbraw/zinc/27/33/80/268273380.db2.gz RSNOZVMASFHXDL-UHFFFAOYSA-N 0 0 312.319 3.358 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000527274429 268273517 /nfs/dbraw/zinc/27/35/17/268273517.db2.gz MYOBDRGROJECJC-QGZVFWFLSA-N 0 0 308.356 3.256 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000531385551 268273673 /nfs/dbraw/zinc/27/36/73/268273673.db2.gz JESOVPYUMQTSIX-SFHVURJKSA-N 0 0 322.433 3.417 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2(c3ccc(F)cc3)CC2)c1 ZINC000531146057 268274690 /nfs/dbraw/zinc/27/46/90/268274690.db2.gz YLSVNXCJWARTCU-UHFFFAOYSA-N 0 0 308.356 3.088 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2nc3ccccc3s2)c1 ZINC000531386029 268275129 /nfs/dbraw/zinc/27/51/29/268275129.db2.gz JMSDQMUIPLMFLF-UHFFFAOYSA-N 0 0 321.405 3.069 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000530915036 268277470 /nfs/dbraw/zinc/27/74/70/268277470.db2.gz OLUVFJMXBYQKMZ-UHFFFAOYSA-N 0 0 320.270 3.480 10 30 DGEERN N#Cc1ccnc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000357427476 268295860 /nfs/dbraw/zinc/29/58/60/268295860.db2.gz PHMVQQDJBWRTGH-UHFFFAOYSA-N 0 0 322.151 3.278 10 30 DGEERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000530908961 269596808 /nfs/dbraw/zinc/59/68/08/269596808.db2.gz BVNIMRYTDALPHB-SJLPKXTDSA-N 0 0 314.429 3.058 10 30 DGEERN COc1ccc(OC)c(CN(c2ccc(C#N)cn2)C2CC2)c1 ZINC000247913479 432253419 /nfs/dbraw/zinc/25/34/19/432253419.db2.gz VKCQSCRVLQXZCJ-UHFFFAOYSA-N 0 0 309.369 3.139 10 30 DGEERN Cc1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000183071597 432256194 /nfs/dbraw/zinc/25/61/94/432256194.db2.gz NQQBKGNANPLXJP-NSHDSACASA-N 0 0 317.414 3.427 10 30 DGEERN N#Cc1ccc(NC(=O)c2cn3ccnc3s2)cc1Cl ZINC000188144644 274925540 /nfs/dbraw/zinc/92/55/40/274925540.db2.gz LXNKJIFNFFUFCO-UHFFFAOYSA-N 0 0 302.746 3.173 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@H]3CCCOCC3)sc2C1 ZINC000329280450 287825917 /nfs/dbraw/zinc/82/59/17/287825917.db2.gz MVVZGEULEFOLNM-MNOVXSKESA-N 0 0 309.435 3.163 10 30 DGEERN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCc4c(O)c(O)ccc4[C@H]3CC[C@@]21C ZINC000005764436 275719727 /nfs/dbraw/zinc/71/97/27/275719727.db2.gz SYFHJXSYRPNSOI-QRYOMUJSSA-N 0 0 312.409 3.318 10 30 in-vitro DGEERN CC(C)c1ccc(/C=C\CC(=O)Nc2nn(C)cc2C#N)cc1 ZINC000489907096 275731904 /nfs/dbraw/zinc/73/19/04/275731904.db2.gz RDGBLALKVHGZJH-PLNGDYQASA-N 0 0 308.385 3.457 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494827224 275750044 /nfs/dbraw/zinc/75/00/44/275750044.db2.gz ZDWIPVUBINKBSQ-LLVKDONJSA-N 0 0 303.793 3.394 10 30 DGEERN C=CC(C)(C)CCNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000528072707 429844808 /nfs/dbraw/zinc/84/48/08/429844808.db2.gz DJYJANOAFBPZLY-UHFFFAOYSA-N 0 0 303.410 3.301 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000626462878 429949513 /nfs/dbraw/zinc/94/95/13/429949513.db2.gz RSMUUBFZTHAPBF-UHFFFAOYSA-N 0 0 317.368 3.130 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccn(C2CCSCC2)n1)OCC ZINC000633861180 429996165 /nfs/dbraw/zinc/99/61/65/429996165.db2.gz ZODISFXGZVQGRW-AWEZNQCLSA-N 0 0 323.462 3.261 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@]12C[C@@H]1C[C@H](OC)C[C@@H]1C2 ZINC000424570629 276893973 /nfs/dbraw/zinc/89/39/73/276893973.db2.gz FKXXLSUEMGITOO-IZUZZMAOSA-N 0 0 312.413 3.272 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000187682680 277782912 /nfs/dbraw/zinc/78/29/12/277782912.db2.gz XSCSXFWDYBBRDY-SGMGOOAPSA-N 0 0 307.356 3.189 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ccccc1C(=O)NC(C)C)OCC ZINC000270059622 277789987 /nfs/dbraw/zinc/78/99/87/277789987.db2.gz UFKFQAGUFSOUSL-MRXNPFEDSA-N 0 0 318.417 3.135 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000362546300 277791742 /nfs/dbraw/zinc/79/17/42/277791742.db2.gz XDHFDKTVZNOHOQ-VOAKCMCISA-N 0 0 305.340 3.157 10 30 DGEERN C=CCN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000491107063 277841767 /nfs/dbraw/zinc/84/17/67/277841767.db2.gz MLQRJCWVKZGSKG-CYBMUJFWSA-N 0 0 317.389 3.089 10 30 DGEERN C=CCN(Cc1c(OC)cc(OC)cc1OC)CC(F)(F)F ZINC000092471950 277854738 /nfs/dbraw/zinc/85/47/38/277854738.db2.gz AUOYSDYTFUQJOK-UHFFFAOYSA-N 0 0 319.323 3.263 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000602921045 430543888 /nfs/dbraw/zinc/54/38/88/430543888.db2.gz AMXXTDBPMJLXOA-UHFFFAOYSA-N 0 0 303.410 3.219 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)C(=O)NC ZINC000455242156 277892180 /nfs/dbraw/zinc/89/21/80/277892180.db2.gz HDORMMUXGNBJDU-HNNXBMFYSA-N 0 0 317.433 3.185 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000456611544 277918664 /nfs/dbraw/zinc/91/86/64/277918664.db2.gz RAVFDLZPHLSTQX-VQIMIIECSA-N 0 0 316.445 3.303 10 30 DGEERN CC(C)(C#N)c1ccccc1CN1NC(=O)CC12CCCCC2 ZINC000289449440 278259800 /nfs/dbraw/zinc/25/98/00/278259800.db2.gz XGMXEFNRSXKAMY-UHFFFAOYSA-N 0 0 311.429 3.428 10 30 DGEERN CC(C)(C)[N@H+](CC#Cc1ccccc1)Cc1ncccc1C(=O)[O-] ZINC000065434696 278338624 /nfs/dbraw/zinc/33/86/24/278338624.db2.gz FHNKMNJLKQKUNV-UHFFFAOYSA-N 0 0 322.408 3.432 10 30 DGEERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C#N)n1C ZINC000450062301 278618944 /nfs/dbraw/zinc/61/89/44/278618944.db2.gz TXYLLWGJJCOYHQ-PIGZYNQJSA-N 0 0 311.360 3.089 10 30 DGEERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c(C#N)cc1N(C)C ZINC000408465125 278725595 /nfs/dbraw/zinc/72/55/95/278725595.db2.gz GNXJNPASHNXFAO-CJNGLKHVSA-N 0 0 312.417 3.339 10 30 DGEERN N#C[C@](Cc1ccccc1)(c1ccccc1)c1cc[n+]([O-])cc1 ZINC000000162187 431135859 /nfs/dbraw/zinc/13/58/59/431135859.db2.gz ORHDREFCKKHOGM-HXUWFJFHSA-N 0 0 300.361 3.372 10 30 DGEERN Clc1ccc(C#CCN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182725180 279291751 /nfs/dbraw/zinc/29/17/51/279291751.db2.gz UVNULTXKAKEBPJ-OAHLLOKOSA-N 0 0 300.793 3.037 10 30 DGEERN Cn1c2ccccc2c2cc(C#N)c3nc(=O)c4ccccc4n3c21 ZINC000003171848 279320249 /nfs/dbraw/zinc/32/02/49/279320249.db2.gz NIYDOGNECHJKRH-UHFFFAOYSA-N 0 0 324.343 3.364 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 ZINC000110315067 431188035 /nfs/dbraw/zinc/18/80/35/431188035.db2.gz BQYDVWCUFJTXLU-WBVHZDCISA-N 0 0 312.413 3.449 10 30 DGEERN Cc1cc(S(=O)(=O)N(CCC#N)c2ccccc2)c(C)s1 ZINC000108760044 431153906 /nfs/dbraw/zinc/15/39/06/431153906.db2.gz KDJGOAIMJBXUGB-UHFFFAOYSA-N 0 0 320.439 3.474 10 30 DGEERN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@H](C#N)C1CC1 ZINC000108836879 431156373 /nfs/dbraw/zinc/15/63/73/431156373.db2.gz UTLBPAMTYOBQMQ-XJKSGUPXSA-N 0 0 300.402 3.304 10 30 DGEERN CC(C)(C)C1CCC(O)(CNC(=O)c2sccc2C#N)CC1 ZINC000111629344 431227768 /nfs/dbraw/zinc/22/77/68/431227768.db2.gz HAXJQHADLAPADM-UHFFFAOYSA-N 0 0 320.458 3.317 10 30 DGEERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000070549233 431253040 /nfs/dbraw/zinc/25/30/40/431253040.db2.gz IFKXKJGATVUECE-KBPBESRZSA-N 0 0 306.431 3.053 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC(CN2CCc3ccccc32)CC1 ZINC000112560569 431285101 /nfs/dbraw/zinc/28/51/01/431285101.db2.gz PDOVUXIYBWQKRP-GOSISDBHSA-N 0 0 322.456 3.205 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000112861050 431309741 /nfs/dbraw/zinc/30/97/41/431309741.db2.gz LKSQDLHTFCBMGP-LBPRGKRZSA-N 0 0 305.337 3.446 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000113894783 431365900 /nfs/dbraw/zinc/36/59/00/431365900.db2.gz UPKBIVBFNQOZGS-QGZVFWFLSA-N 0 0 311.385 3.342 10 30 DGEERN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000073605936 431374956 /nfs/dbraw/zinc/37/49/56/431374956.db2.gz ZNXFQHKXQPHXKS-GFCCVEGCSA-N 0 0 315.373 3.129 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 ZINC000075454573 431476134 /nfs/dbraw/zinc/47/61/34/431476134.db2.gz KUJIZVCUYUNFOK-AWEZNQCLSA-N 0 0 306.406 3.070 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1sccc1C#N ZINC000066709816 279924813 /nfs/dbraw/zinc/92/48/13/279924813.db2.gz GCHCFBQBFPZJOJ-WFASDCNBSA-N 0 0 312.394 3.222 10 30 DGEERN N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000116288030 431500996 /nfs/dbraw/zinc/50/09/96/431500996.db2.gz XGITVPMJQNKGGG-IAGOWNOFSA-N 0 0 321.380 3.094 10 30 DGEERN C=CC[C@@H](C)NC(=O)NCc1cc(F)cc(Br)c1 ZINC000116943717 431540958 /nfs/dbraw/zinc/54/09/58/431540958.db2.gz IBQKKNFWYWJJJG-SECBINFHSA-N 0 0 315.186 3.352 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000116973450 431543756 /nfs/dbraw/zinc/54/37/56/431543756.db2.gz XSIJDUAWNHBXBS-GXTWGEPZSA-N 0 0 302.374 3.226 10 30 DGEERN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000047282124 288199823 /nfs/dbraw/zinc/19/98/23/288199823.db2.gz RGISQVSTMNVMRZ-LBPRGKRZSA-N 0 0 312.822 3.165 10 30 DGEERN C#CCSCCNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000119059682 431638469 /nfs/dbraw/zinc/63/84/69/431638469.db2.gz BTXHOFOOLFYZGC-MRXNPFEDSA-N 0 0 314.410 3.035 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccc(F)cc1F ZINC000119260968 431667061 /nfs/dbraw/zinc/66/70/61/431667061.db2.gz AATTYYVZFYRVMB-UHFFFAOYSA-N 0 0 307.262 3.474 10 30 DGEERN C=C[C@]1(C)C=C2CC[C@@H]3C(C)(C)[C@H](O)C(=O)C[C@@]3(C)[C@@H]2C[C@@H]1O ZINC000029042267 431713513 /nfs/dbraw/zinc/71/35/13/431713513.db2.gz OKNGHMJLXXXEEZ-UMYDBDEDSA-N 0 0 318.457 3.262 10 30 DGEERN COc1cc(C#N)ccc1CN1CCO[C@H](c2cccs2)C1 ZINC000121224756 431755565 /nfs/dbraw/zinc/75/55/65/431755565.db2.gz KBMDADBUEHVEMJ-INIZCTEOSA-N 0 0 314.410 3.202 10 30 DGEERN CN(Cc1nc2c(s1)CCCC2)C(=O)C1(C#N)CCCCC1 ZINC000083013334 431803462 /nfs/dbraw/zinc/80/34/62/431803462.db2.gz XDWNPXJEMFAJBA-UHFFFAOYSA-N 0 0 317.458 3.454 10 30 DGEERN Clc1ccc(N=NCc2cc(Br)cs2)nn1 ZINC000033373945 431812932 /nfs/dbraw/zinc/81/29/32/431812932.db2.gz ICCHGXWEAMGRDY-QCDXTXTGSA-N 0 0 317.599 3.400 10 30 DGEERN O[C@H](CN[C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000122136906 431813483 /nfs/dbraw/zinc/81/34/83/431813483.db2.gz QUPPWMCQYYYTHC-APPZFPTMSA-N 0 0 323.183 3.081 10 30 DGEERN C[C@H]1C[C@]12c1c(c3c(c4c1S(=O)(=O)O[C@H](C)C4)[C@H](C)C3)[C@@H]2C ZINC000033649337 431815379 /nfs/dbraw/zinc/81/53/79/431815379.db2.gz FODHIQQNHOPUKH-MUCXHJDDSA-N 0 0 318.438 3.391 10 30 DGEERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(C#N)cn1C ZINC000080978945 431778117 /nfs/dbraw/zinc/77/81/17/431778117.db2.gz UKLOSDYDCVWLPP-SNVBAGLBSA-N 0 0 303.312 3.008 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)c(Cl)c1 ZINC000081051228 431781146 /nfs/dbraw/zinc/78/11/46/431781146.db2.gz NZEDUGNWMDVHOK-SECBINFHSA-N 0 0 305.740 3.180 10 30 DGEERN C=C[C@H](CC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000121423804 431783448 /nfs/dbraw/zinc/78/34/48/431783448.db2.gz BPQSFPVKBUBIIF-SJLPKXTDSA-N 0 0 309.413 3.234 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCc1csc2ccccc12 ZINC000081030118 431784320 /nfs/dbraw/zinc/78/43/20/431784320.db2.gz PTYDTSXOTLBYQU-UHFFFAOYSA-N 0 0 309.394 3.084 10 30 DGEERN CN(C(=O)c1cc(C#N)cn1C)[C@H](c1ccccc1)C(F)(F)F ZINC000081154374 431786887 /nfs/dbraw/zinc/78/68/87/431786887.db2.gz LRDLSOGAPDVFDQ-CQSZACIVSA-N 0 0 321.302 3.272 10 30 DGEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)c(SC)cc1OC ZINC000086506749 431845884 /nfs/dbraw/zinc/84/58/84/431845884.db2.gz PICMAKMHPFIHNI-YPMHNXCESA-N 0 0 306.431 3.208 10 30 DGEERN Cc1c(Br)cccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000088441075 431858097 /nfs/dbraw/zinc/85/80/97/431858097.db2.gz YFZIREYRSQJWOZ-GXFFZTMASA-N 0 0 307.191 3.180 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(C#N)s1)C2 ZINC000123338864 431862724 /nfs/dbraw/zinc/86/27/24/431862724.db2.gz UQRDZGWIUMABOH-UHFFFAOYSA-N 0 0 300.431 3.035 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](O)C[C@@]43C)[C@@H]1CCC2=O ZINC000034268301 431820007 /nfs/dbraw/zinc/82/00/07/431820007.db2.gz TUUUEQXMRRIGLT-ZEHJPDPISA-N 0 0 302.414 3.058 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809569 431833834 /nfs/dbraw/zinc/83/38/34/431833834.db2.gz IWBFKJYGPFVCOF-CHWSQXEVSA-N 0 0 307.346 3.489 10 30 DGEERN C#CCCOc1ccc(CNc2cnn(CC(F)(F)F)c2)cc1 ZINC000092845356 431912531 /nfs/dbraw/zinc/91/25/31/431912531.db2.gz KVLTWPOXFMKJCB-UHFFFAOYSA-N 0 0 323.318 3.460 10 30 DGEERN Cc1ccc(N2CCC(NC(=O)[C@@]3(C)CCCOC3)CC2)nc1 ZINC000329712205 280862935 /nfs/dbraw/zinc/86/29/35/280862935.db2.gz PSMPWOGZVJSOCU-SFHVURJKSA-N 0 0 317.433 3.132 10 30 DGEERN N#C[C@@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccccn1 ZINC000125477314 431926555 /nfs/dbraw/zinc/92/65/55/431926555.db2.gz PIEMVOMYIQWLHP-OAHLLOKOSA-N 0 0 322.755 3.411 10 30 DGEERN C[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000091050462 431900119 /nfs/dbraw/zinc/90/01/19/431900119.db2.gz OAKWKOJTLXWGPS-AUUYWEPGSA-N 0 0 320.392 3.409 10 30 DGEERN Cn1ncnc1NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000091182361 431903151 /nfs/dbraw/zinc/90/31/51/431903151.db2.gz LDPDRRXFFJOXCV-UHFFFAOYSA-N 0 0 313.405 3.196 10 30 DGEERN N#CC1(NC(=O)c2cccc(OCc3cccnc3)c2)CCCC1 ZINC000124817459 431905131 /nfs/dbraw/zinc/90/51/31/431905131.db2.gz DCCMXFLOMUYJNG-UHFFFAOYSA-N 0 0 321.380 3.227 10 30 DGEERN Cc1cc(O[C@H](C)C(=O)NC2(C#N)CCCC2)ccc1Cl ZINC000124828105 431905666 /nfs/dbraw/zinc/90/56/66/431905666.db2.gz PHHQUDUTVIKUIH-GFCCVEGCSA-N 0 0 306.793 3.368 10 30 DGEERN CC(C)Oc1ccc(NC(=O)c2cnn3c2CCCC3)cc1C#N ZINC000127689722 431978203 /nfs/dbraw/zinc/97/82/03/431978203.db2.gz BXJKWEPRVIDZEI-UHFFFAOYSA-N 0 0 324.384 3.131 10 30 DGEERN N#Cc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Cl ZINC000048652491 431929323 /nfs/dbraw/zinc/92/93/23/431929323.db2.gz BUHDODFXBKDBTQ-UHFFFAOYSA-N 0 0 310.737 3.152 10 30 DGEERN CC(C)(O)[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000125602950 431930836 /nfs/dbraw/zinc/93/08/36/431930836.db2.gz PKIFZGUUHWNRHS-HNNXBMFYSA-N 0 0 315.417 3.255 10 30 DGEERN N#Cc1c(CN2CCO[C@@H](c3ccsc3)C2)cn2ccccc12 ZINC000125883240 431937862 /nfs/dbraw/zinc/93/78/62/431937862.db2.gz XDVKBOCMWUIYHJ-GOSISDBHSA-N 0 0 323.421 3.446 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)COc1ccccc1 ZINC000126154292 431943286 /nfs/dbraw/zinc/94/32/86/431943286.db2.gz JQSQAJLXZJHMII-LBPRGKRZSA-N 0 0 301.308 3.278 10 30 DGEERN C=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1F ZINC000126244392 431945118 /nfs/dbraw/zinc/94/51/18/431945118.db2.gz YKDUHLMTICLGOK-UHFFFAOYSA-N 0 0 312.388 3.495 10 30 DGEERN N#Cc1ccc(C(=O)NCCCCOCc2ccccc2)cc1 ZINC000050423376 431948257 /nfs/dbraw/zinc/94/82/57/431948257.db2.gz PPWJCDJVBLDXSM-UHFFFAOYSA-N 0 0 308.381 3.285 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)c1sccc1C#N ZINC000052036180 431954437 /nfs/dbraw/zinc/95/44/37/431954437.db2.gz IIHRJZAGYQRMNS-UHFFFAOYSA-N 0 0 300.383 3.291 10 30 DGEERN COc1cccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)c1 ZINC000100042319 431980544 /nfs/dbraw/zinc/98/05/44/431980544.db2.gz ZTAZLZWQLSMESL-VXLYETTFSA-N 0 0 314.410 3.485 10 30 DGEERN C=CCCOCCNC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000127073768 431964006 /nfs/dbraw/zinc/96/40/06/431964006.db2.gz QZGGZCVMCRKCNF-KRWDZBQOSA-N 0 0 320.408 3.135 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COC)o1 ZINC000097167076 431964609 /nfs/dbraw/zinc/96/46/09/431964609.db2.gz ONULCSQOICGSPN-UHFFFAOYSA-N 0 0 312.369 3.350 10 30 DGEERN COC1=C(OC)C(=O)C(CCCCCCCCCCO)=CC1=O ZINC000100042844 431980703 /nfs/dbraw/zinc/98/07/03/431980703.db2.gz YKJAYESMUFGDPC-UHFFFAOYSA-N 0 0 324.417 3.072 10 30 DGEERN N#Cc1cccc(/C=C/C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000101525322 431984819 /nfs/dbraw/zinc/98/48/19/431984819.db2.gz URWQEFSATZSSEP-BQYQJAHWSA-N 0 0 316.320 3.260 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193310253 281375225 /nfs/dbraw/zinc/37/52/25/281375225.db2.gz WARCBDZCXQTVIW-GOEBONIOSA-N 0 0 305.381 3.280 10 30 DGEERN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C#N)CC1 ZINC000057877367 431994169 /nfs/dbraw/zinc/99/41/69/431994169.db2.gz OMEPQDCGOPPQNS-MRXNPFEDSA-N 0 0 313.445 3.048 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000058453190 431996635 /nfs/dbraw/zinc/99/66/35/431996635.db2.gz TUIXIMQRMLPEPF-GFCCVEGCSA-N 0 0 323.352 3.478 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000128614538 431996820 /nfs/dbraw/zinc/99/68/20/431996820.db2.gz YYAMQHKTYIYOCA-OAHLLOKOSA-N 0 0 313.445 3.045 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)NC(C)C ZINC000191425016 432263773 /nfs/dbraw/zinc/26/37/73/432263773.db2.gz IQLIQHNPNXDFQP-UHFFFAOYSA-N 0 0 317.433 3.185 10 30 DGEERN COc1ccc(C(=O)N[C@H](C#N)C2CC2)c(OCCC(C)C)c1 ZINC000191940883 432316593 /nfs/dbraw/zinc/31/65/93/432316593.db2.gz IUQQJBIZJMGWTA-MRXNPFEDSA-N 0 0 316.401 3.152 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCC1(C#N)CCCC1 ZINC000183834141 432330222 /nfs/dbraw/zinc/33/02/22/432330222.db2.gz OZJZFGJMQSMHCV-CYBMUJFWSA-N 0 0 322.405 3.013 10 30 DGEERN C[C@@H](COCc1ccccc1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000183940333 432337249 /nfs/dbraw/zinc/33/72/49/432337249.db2.gz NLRARVWWZVCEAZ-ZDUSSCGKSA-N 0 0 311.341 3.484 10 30 DGEERN C[C@H](NCC#Cc1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000192185430 432343035 /nfs/dbraw/zinc/34/30/35/432343035.db2.gz ONCOIKIPGKVBFG-INIZCTEOSA-N 0 0 317.392 3.363 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000152731001 432350803 /nfs/dbraw/zinc/35/08/03/432350803.db2.gz COTXYJZCLTZNIX-UHFFFAOYSA-N 0 0 319.364 3.011 10 30 DGEERN CC(C)C1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000174501355 432352254 /nfs/dbraw/zinc/35/22/54/432352254.db2.gz MTSLRCKSSKCRDI-CQSZACIVSA-N 0 0 300.402 3.220 10 30 DGEERN CC(C)(C(=O)NCCOc1ccc(C#N)cc1)c1cccs1 ZINC000173879954 432305365 /nfs/dbraw/zinc/30/53/65/432305365.db2.gz LQZYFUCMCXYKSV-UHFFFAOYSA-N 0 0 314.410 3.093 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cccc(C(F)F)c2)cc1 ZINC000173899373 432305656 /nfs/dbraw/zinc/30/56/56/432305656.db2.gz OMVFUWPFJGJQCF-UHFFFAOYSA-N 0 0 316.307 3.305 10 30 DGEERN CSc1ccsc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173892427 432306006 /nfs/dbraw/zinc/30/60/06/432306006.db2.gz CMNHMSISIPCLQG-UHFFFAOYSA-N 0 0 318.423 3.150 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000173904518 432306812 /nfs/dbraw/zinc/30/68/12/432306812.db2.gz WLDXLIHUKRUYGH-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN N#Cc1ccc(OCCNC(=O)CCCc2ccccc2)cc1 ZINC000173907458 432307226 /nfs/dbraw/zinc/30/72/26/432307226.db2.gz XBNADFQUWJDKNC-UHFFFAOYSA-N 0 0 308.381 3.076 10 30 DGEERN CC(C)CC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC1 ZINC000183648010 432312513 /nfs/dbraw/zinc/31/25/13/432312513.db2.gz YWLDRLWHCSYWKX-UHFFFAOYSA-N 0 0 323.400 3.294 10 30 DGEERN C[C@H]1CC[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008051 432313559 /nfs/dbraw/zinc/31/35/59/432313559.db2.gz ZYEXPCWFJGZSNW-RYUDHWBXSA-N 0 0 305.809 3.271 10 30 DGEERN C[C@@H]1CC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)C1 ZINC000183654447 432313667 /nfs/dbraw/zinc/31/36/67/432313667.db2.gz BUOFUDGCAPFILI-STQMWFEESA-N 0 0 323.400 3.150 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Cl)cc2)cn1 ZINC000183660476 432314099 /nfs/dbraw/zinc/31/40/99/432314099.db2.gz WYOYTFFLWXBRBK-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN CCc1onc(C)c1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000192633677 432394751 /nfs/dbraw/zinc/39/47/51/432394751.db2.gz SLMAQZXQXCZESH-UHFFFAOYSA-N 0 0 322.415 3.178 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)NN=C2C[C@@H]3C=CC[C@@H]23)cc1 ZINC000254533397 432403587 /nfs/dbraw/zinc/40/35/87/432403587.db2.gz RUJXQYGKFDZVAC-SWLSCSKDSA-N 0 0 318.442 3.214 10 30 DGEERN N#Cc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)ccn1 ZINC000192967062 432436005 /nfs/dbraw/zinc/43/60/05/432436005.db2.gz UAQMJQOLKSDZOX-SFHVURJKSA-N 0 0 303.365 3.245 10 30 DGEERN COc1ccc(C2(NC(=O)c3ccnc(C#N)c3)CCCC2)cc1 ZINC000193061844 432444241 /nfs/dbraw/zinc/44/42/41/432444241.db2.gz MIUCEOYTCNESPF-UHFFFAOYSA-N 0 0 321.380 3.161 10 30 DGEERN N#Cc1ccc(OCCNC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000175583443 432450115 /nfs/dbraw/zinc/45/01/15/432450115.db2.gz UXPUMBIQNLWSJX-UHFFFAOYSA-N 0 0 313.401 3.054 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccccc2C#N)s1 ZINC000175245011 432415107 /nfs/dbraw/zinc/41/51/07/432415107.db2.gz MSPGAVJNYNZLDB-SNVBAGLBSA-N 0 0 301.371 3.283 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC000185356418 432494421 /nfs/dbraw/zinc/49/44/21/432494421.db2.gz WESBZVGMDJQMBS-ZDUSSCGKSA-N 0 0 313.319 3.356 10 30 DGEERN C=CCN(CC=C)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000193318949 432465296 /nfs/dbraw/zinc/46/52/96/432465296.db2.gz MQSAPSIWJNPJTA-UHFFFAOYSA-N 0 0 317.389 3.243 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCc3cccc(OC)c3CC2)c1 ZINC000193320951 432465452 /nfs/dbraw/zinc/46/54/52/432465452.db2.gz HIGRCELNGIJFFM-UHFFFAOYSA-N 0 0 320.392 3.309 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000185960968 432549329 /nfs/dbraw/zinc/54/93/29/432549329.db2.gz GEUIVUZVIRJEQI-DZGCQCFKSA-N 0 0 318.392 3.040 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@@H]2OC)nc2ccccc2c1=O ZINC000273093969 432550227 /nfs/dbraw/zinc/55/02/27/432550227.db2.gz JEFLKQSMHAMORK-GJZGRUSLSA-N 0 0 316.426 3.242 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@H]2OC)nc2sccc2c1=O ZINC000273142717 432557142 /nfs/dbraw/zinc/55/71/42/432557142.db2.gz UJSONUPFCIGQDX-VXGBXAGGSA-N 0 0 322.455 3.304 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000186099057 432559330 /nfs/dbraw/zinc/55/93/30/432559330.db2.gz IHVKPRXKLRIWQQ-DZGCQCFKSA-N 0 0 301.386 3.282 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000185864930 432540152 /nfs/dbraw/zinc/54/01/52/432540152.db2.gz DOEAMQANTUHYSK-JTQLQIEISA-N 0 0 317.216 3.486 10 30 DGEERN CCN(Cc1ccccc1Cl)C(=O)c1cc(C#N)cn1C ZINC000176664004 432542394 /nfs/dbraw/zinc/54/23/94/432542394.db2.gz WVUZNKXXWCFFLH-UHFFFAOYSA-N 0 0 301.777 3.212 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000185915261 432544133 /nfs/dbraw/zinc/54/41/33/432544133.db2.gz SWPLQTVIKMNLEK-MRXNPFEDSA-N 0 0 321.848 3.496 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C ZINC000185917729 432544655 /nfs/dbraw/zinc/54/46/55/432544655.db2.gz LBPKFHITZRSNHM-GJZGRUSLSA-N 0 0 304.434 3.118 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000185943417 432547209 /nfs/dbraw/zinc/54/72/09/432547209.db2.gz MKGRNVIOCDTXCQ-MFKMUULPSA-N 0 0 316.228 3.225 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000185943402 432547261 /nfs/dbraw/zinc/54/72/61/432547261.db2.gz MKGRNVIOCDTXCQ-GWCFXTLKSA-N 0 0 316.228 3.225 10 30 DGEERN C=CC[C@@H](C(=O)NCc1ccc(CO)c(F)c1)c1ccccc1 ZINC000186545510 432605872 /nfs/dbraw/zinc/60/58/72/432605872.db2.gz TZUADLICUZTWKU-QGZVFWFLSA-N 0 0 313.372 3.294 10 30 DGEERN COc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1O ZINC000195203101 432611868 /nfs/dbraw/zinc/61/18/68/432611868.db2.gz UZXQSVCGEGPREH-UHFFFAOYSA-N 0 0 308.337 3.208 10 30 DGEERN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCO2)cc1 ZINC000155677233 432567332 /nfs/dbraw/zinc/56/73/32/432567332.db2.gz CPIUFDKTYNOIDI-UHFFFAOYSA-N 0 0 308.337 3.437 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000176952488 432568978 /nfs/dbraw/zinc/56/89/78/432568978.db2.gz YNCUCAFFDCIWPV-GFCCVEGCSA-N 0 0 306.793 3.380 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2cccc(F)c2C#N)cc1F ZINC000186266280 432576473 /nfs/dbraw/zinc/57/64/73/432576473.db2.gz KYRFVJSYAXIHTG-SNVBAGLBSA-N 0 0 316.307 3.336 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1 ZINC000186342604 432584958 /nfs/dbraw/zinc/58/49/58/432584958.db2.gz DXWJRAWZJREBBP-RANZSIQMSA-N 0 0 317.429 3.330 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000156042292 432585325 /nfs/dbraw/zinc/58/53/25/432585325.db2.gz BIKXSIFBVNKFMF-UIAACRFSSA-N 0 0 322.408 3.054 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000157230960 432617649 /nfs/dbraw/zinc/61/76/49/432617649.db2.gz DCARFBAUKPFZLL-UHFFFAOYSA-N 0 0 305.746 3.123 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)Cc1nnc(CC)n1C ZINC000195028177 432595266 /nfs/dbraw/zinc/59/52/66/432595266.db2.gz ZEKSNRJPSVPMJC-UHFFFAOYSA-N 0 0 310.854 3.281 10 30 DGEERN CCCCCCCS(=O)(=O)N(C)Cc1ccc(Cl)nc1 ZINC000195076071 432600506 /nfs/dbraw/zinc/60/05/06/432600506.db2.gz NJBDLXFMBRWFQH-UHFFFAOYSA-N 0 0 318.870 3.467 10 30 DGEERN N#C[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000186673759 432621221 /nfs/dbraw/zinc/62/12/21/432621221.db2.gz UANGKXNJCIMYJG-CQSZACIVSA-N 0 0 310.319 3.446 10 30 DGEERN N#Cc1cc(F)c(NC2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000195404701 432622144 /nfs/dbraw/zinc/62/21/44/432622144.db2.gz MZFJVNCETRUBEP-UHFFFAOYSA-N 0 0 319.277 3.275 10 30 DGEERN Cc1cc(N2CCO[C@]3(CCc4ccccc43)C2)c(C#N)c(C)n1 ZINC000157868543 432630039 /nfs/dbraw/zinc/63/00/39/432630039.db2.gz OBONAMCVUAXOGI-HXUWFJFHSA-N 0 0 319.408 3.248 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000186977343 432640418 /nfs/dbraw/zinc/64/04/18/432640418.db2.gz POWHTJRFMCBTAJ-GDBMZVCRSA-N 0 0 303.402 3.236 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000274279621 432647114 /nfs/dbraw/zinc/64/71/14/432647114.db2.gz KGOVXRLMWLAJPN-CZUORRHYSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C)OCC ZINC000274298146 432648607 /nfs/dbraw/zinc/64/86/07/432648607.db2.gz FIWYCKFSYSYRQA-XJKSGUPXSA-N 0 0 321.465 3.495 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000274317769 432650823 /nfs/dbraw/zinc/65/08/23/432650823.db2.gz ADVWSQVXIRXTFL-MAUKXSAKSA-N 0 0 301.430 3.388 10 30 DGEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187448360 432664902 /nfs/dbraw/zinc/66/49/02/432664902.db2.gz MJHADBCZAIWWAN-UHFFFAOYSA-N 0 0 310.344 3.161 10 30 DGEERN COc1cnccc1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1C ZINC000187921835 432693876 /nfs/dbraw/zinc/69/38/76/432693876.db2.gz CGIUJVUMUAOCHK-GFCCVEGCSA-N 0 0 310.357 3.153 10 30 DGEERN N#Cc1ccc2ncc(CN3CC=C(c4ccccc4)CC3)n2c1 ZINC000159752931 432695884 /nfs/dbraw/zinc/69/58/84/432695884.db2.gz CSICXMUXDXSIJH-UHFFFAOYSA-N 0 0 314.392 3.495 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000188146252 432706771 /nfs/dbraw/zinc/70/67/71/432706771.db2.gz UTRBELKLCJQGQV-NVXWUHKLSA-N 0 0 302.418 3.034 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000265608304 432713797 /nfs/dbraw/zinc/71/37/97/432713797.db2.gz KRZUJRGIADWSKV-UHFFFAOYSA-N 0 0 301.390 3.429 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cn2ccnc2s1 ZINC000188390817 432722391 /nfs/dbraw/zinc/72/23/91/432722391.db2.gz SIIXKBPUPZTFMB-UHFFFAOYSA-N 0 0 322.393 3.096 10 30 DGEERN CCOc1ccc(/C=C(\Br)C(=O)[C@@]2(C)CO2)cc1 ZINC000224493291 432683344 /nfs/dbraw/zinc/68/33/44/432683344.db2.gz TVVOMIKSGFPHKQ-ICDLMJIXSA-N 0 0 311.175 3.179 10 30 DGEERN C=CCCCCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000274576258 432684226 /nfs/dbraw/zinc/68/42/26/432684226.db2.gz BPQTYDFFVIZCEZ-CZUORRHYSA-N 0 0 300.402 3.367 10 30 DGEERN C=C(C)[C@H](NC(=O)c1n[nH]c(C)c1C)c1ccc(F)c(F)c1 ZINC000274607011 432688467 /nfs/dbraw/zinc/68/84/67/432688467.db2.gz GNEJUXMRCAMYOS-AWEZNQCLSA-N 0 0 305.328 3.352 10 30 DGEERN CC1(C)CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC(C)(C)O1 ZINC000188946977 432753180 /nfs/dbraw/zinc/75/31/80/432753180.db2.gz COURFRZIBANXEQ-UHFFFAOYSA-N 0 0 312.413 3.006 10 30 DGEERN Cn1c(CSc2cc(C#N)ccn2)nnc1-c1ccccc1 ZINC000161027912 432755919 /nfs/dbraw/zinc/75/59/19/432755919.db2.gz ICQWPJXJTRXPAJ-UHFFFAOYSA-N 0 0 307.382 3.041 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)c2ccc(C#N)cc2)n1 ZINC000161344736 432774219 /nfs/dbraw/zinc/77/42/19/432774219.db2.gz LUEKZJPWELNVRF-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCN(CC)C(=O)[C@@H](C)CC(=C)C ZINC000275586944 432732198 /nfs/dbraw/zinc/73/21/98/432732198.db2.gz ZZWGQYVYBZEMER-CVEARBPZSA-N 0 0 308.466 3.156 10 30 DGEERN C=CC[C@@H](C(=O)Nc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000188688539 432739078 /nfs/dbraw/zinc/73/90/78/432739078.db2.gz QBFZAVMXEVBEFH-MRXNPFEDSA-N 0 0 310.353 3.167 10 30 DGEERN CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1Cl ZINC000160818244 432743909 /nfs/dbraw/zinc/74/39/09/432743909.db2.gz CADMGUFUKBTFTK-UHFFFAOYSA-N 0 0 310.788 3.491 10 30 DGEERN CO[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000189487965 432791517 /nfs/dbraw/zinc/79/15/17/432791517.db2.gz GAIPTYOLMZHXEM-LSDHHAIUSA-N 0 0 301.390 3.177 10 30 DGEERN COc1cc(-c2ccccc2)sc1C(=O)N[C@H](C#N)C1CC1 ZINC000161792274 432798761 /nfs/dbraw/zinc/79/87/61/432798761.db2.gz OMFSPJMXLWRPBE-CYBMUJFWSA-N 0 0 312.394 3.456 10 30 DGEERN Cc1ccc(C#N)c(N[C@@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000161853539 432801960 /nfs/dbraw/zinc/80/19/60/432801960.db2.gz LFZKPSVTBPMSDC-ZDUSSCGKSA-N 0 0 304.357 3.016 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000189590993 432802402 /nfs/dbraw/zinc/80/24/02/432802402.db2.gz WJTGGDFCFXDBCH-QAPCUYQASA-N 0 0 303.402 3.164 10 30 DGEERN CC[C@@H](CSC)N(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189727323 432814017 /nfs/dbraw/zinc/81/40/17/432814017.db2.gz LLNWWMGHSFFLDW-HNNXBMFYSA-N 0 0 302.443 3.190 10 30 DGEERN C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245787143 432863349 /nfs/dbraw/zinc/86/33/49/432863349.db2.gz VKVOSADLXJOFOW-PXAZEXFGSA-N 0 0 300.333 3.252 10 30 DGEERN C[C@H]1CN(Cc2ccc(C#N)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245787150 432863556 /nfs/dbraw/zinc/86/35/56/432863556.db2.gz VKVOSADLXJOFOW-SJCJKPOMSA-N 0 0 300.333 3.252 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000245929144 432870338 /nfs/dbraw/zinc/87/03/38/432870338.db2.gz IRUGTIGHXFMWTK-GUDVDZBRSA-N 0 0 302.377 3.182 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000277716867 432871540 /nfs/dbraw/zinc/87/15/40/432871540.db2.gz PHCVAOSZAGNCGT-ZDUSSCGKSA-N 0 0 311.381 3.010 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000288089234 432885981 /nfs/dbraw/zinc/88/59/81/432885981.db2.gz RAMDZNPITIDSAR-DYVFJYSZSA-N 0 0 317.816 3.195 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000278290227 432890601 /nfs/dbraw/zinc/89/06/01/432890601.db2.gz RCFLOJWOYUUWBA-BPLDGKMQSA-N 0 0 321.804 3.261 10 30 DGEERN C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C1 ZINC000330100661 432893318 /nfs/dbraw/zinc/89/33/18/432893318.db2.gz DPODXBOVPHIQHJ-NCZKRNLISA-N 0 0 318.421 3.363 10 30 DGEERN CC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245711844 432858115 /nfs/dbraw/zinc/85/81/15/432858115.db2.gz FOFCAIFPQICGPK-CJNGLKHVSA-N 0 0 307.388 3.281 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCC(C)(F)F ZINC000296579588 432923148 /nfs/dbraw/zinc/92/31/48/432923148.db2.gz JEKFHRORLPRGKB-HNNXBMFYSA-N 0 0 308.372 3.356 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000297015001 432950200 /nfs/dbraw/zinc/95/02/00/432950200.db2.gz VUCXPXBDJCGHMV-KRWDZBQOSA-N 0 0 322.412 3.055 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)NCCc2ccccc2)no1 ZINC000289130207 432925461 /nfs/dbraw/zinc/92/54/61/432925461.db2.gz LWFYPNKWIVCBIO-AWEZNQCLSA-N 0 0 313.401 3.041 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)N(C)C2CCCCC2)no1 ZINC000289150299 432927835 /nfs/dbraw/zinc/92/78/35/432927835.db2.gz SWRRETJPLMOCIR-ZDUSSCGKSA-N 0 0 305.422 3.473 10 30 DGEERN C=CCCCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000279221241 432946230 /nfs/dbraw/zinc/94/62/30/432946230.db2.gz NXHCFFIRIBYCRZ-UHFFFAOYSA-N 0 0 304.777 3.349 10 30 DGEERN CC(C)(C)c1nnsc1C(=O)Nc1cccc2c1OCO2 ZINC000330202819 432897838 /nfs/dbraw/zinc/89/78/38/432897838.db2.gz ZVAXXZMOAAJVBG-UHFFFAOYSA-N 0 0 305.359 3.201 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN1c1ccccc1 ZINC000330214163 432898437 /nfs/dbraw/zinc/89/84/37/432898437.db2.gz FYAIQJAABNTSOY-XIRDDKMYSA-N 0 0 302.418 3.163 10 30 DGEERN C[C@@H]1Oc2ccc(NC(=O)[C@]3(C)CCCNC3=O)cc2NC1=O ZINC000330219084 432898550 /nfs/dbraw/zinc/89/85/50/432898550.db2.gz JWWYBPNOVDKVRR-XXFAHNHDSA-N 0 0 317.345 3.400 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000330249186 432899763 /nfs/dbraw/zinc/89/97/63/432899763.db2.gz MMRGDWAXBPVNTN-YLFCFFPRSA-N 0 0 316.449 3.230 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000278793431 432902144 /nfs/dbraw/zinc/90/21/44/432902144.db2.gz QLPHKKVJOCNGRC-ZWNOBZJWSA-N 0 0 321.327 3.420 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000330322292 432903316 /nfs/dbraw/zinc/90/33/16/432903316.db2.gz GQQWQSVUAOPTES-YLFCFFPRSA-N 0 0 317.433 3.423 10 30 DGEERN CC(=O)C[C@H](C)NC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000330529014 432915666 /nfs/dbraw/zinc/91/56/66/432915666.db2.gz MFDAHPWYAHITPK-CABZTGNLSA-N 0 0 310.419 3.018 10 30 DGEERN C#CCOc1cccc(-c2noc(C[C@@H](O)CC(C)(C)C)n2)c1 ZINC000289055281 432916906 /nfs/dbraw/zinc/91/69/06/432916906.db2.gz XVUSSZYFJLWUIS-CQSZACIVSA-N 0 0 314.385 3.088 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1cc(Br)ccc1C ZINC000289079756 432920561 /nfs/dbraw/zinc/92/05/61/432920561.db2.gz OQRDBPGAYBBIKZ-UHFFFAOYSA-N 0 0 318.214 3.037 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@@H](C)c2csc(CC)n2)cc1 ZINC000296545885 432920959 /nfs/dbraw/zinc/92/09/59/432920959.db2.gz FMQNZHGPEXINAD-LBPRGKRZSA-N 0 0 313.426 3.247 10 30 DGEERN CCc1oc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc1C ZINC000155098885 292698854 /nfs/dbraw/zinc/69/88/54/292698854.db2.gz JJNJQOWDKKNDTQ-UHFFFAOYSA-N 0 0 320.352 3.460 10 30 DGEERN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCOC[C@@H]1C ZINC000290141407 433000178 /nfs/dbraw/zinc/00/01/78/433000178.db2.gz HJBITEILEKFVEP-ZDUSSCGKSA-N 0 0 324.384 3.102 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000297703981 433008299 /nfs/dbraw/zinc/00/82/99/433008299.db2.gz IWZZKDRGLTVJMA-HNNXBMFYSA-N 0 0 318.417 3.148 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCc2cccc(F)c2C1 ZINC000290353588 433037177 /nfs/dbraw/zinc/03/71/77/433037177.db2.gz KSVIXPRXANXLCM-UHFFFAOYSA-N 0 0 312.392 3.433 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298195123 433054817 /nfs/dbraw/zinc/05/48/17/433054817.db2.gz SSMKPDGFYIWEGR-YJBOKZPZSA-N 0 0 322.412 3.338 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(F)(F)c1ccccc1F ZINC000280514048 433068131 /nfs/dbraw/zinc/06/81/31/433068131.db2.gz ANEALLQQPJTWAZ-BXUZGUMPSA-N 0 0 313.319 3.015 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000419911525 433078785 /nfs/dbraw/zinc/07/87/85/433078785.db2.gz CYOJXMZUQMKNJE-LBPRGKRZSA-N 0 0 313.184 3.380 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCCC23CCC3)cc1OC ZINC000373064920 433084825 /nfs/dbraw/zinc/08/48/25/433084825.db2.gz ZIVMGPMWHSOSMT-UHFFFAOYSA-N 0 0 301.386 3.419 10 30 DGEERN C#CCOCCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000373061340 433085292 /nfs/dbraw/zinc/08/52/92/433085292.db2.gz WJCISDFCRMXBAG-MRXNPFEDSA-N 0 0 305.805 3.434 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000290548686 433092157 /nfs/dbraw/zinc/09/21/57/433092157.db2.gz OVGPAHIOKLWSCM-ZIAGYGMSSA-N 0 0 316.449 3.441 10 30 DGEERN C=C(C)CS(=O)(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC000425208923 433121998 /nfs/dbraw/zinc/12/19/98/433121998.db2.gz NTGBNWZXXAWDMW-UHFFFAOYSA-N 0 0 317.838 3.079 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000298459592 433143921 /nfs/dbraw/zinc/14/39/21/433143921.db2.gz UTVRLRXNHGTASN-UHFFFAOYSA-N 0 0 320.462 3.335 10 30 DGEERN C=CCOCCNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373865449 433165938 /nfs/dbraw/zinc/16/59/38/433165938.db2.gz HTBBNDXDYWGWDL-CTYIDZIISA-N 0 0 308.809 3.088 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](COC)CC1 ZINC000453423137 433175948 /nfs/dbraw/zinc/17/59/48/433175948.db2.gz BOOBQNKDMIPTFA-CABCVRRESA-N 0 0 306.454 3.231 10 30 DGEERN C=CCn1c(N2CCCC[C@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453432511 433178042 /nfs/dbraw/zinc/17/80/42/433178042.db2.gz BWBMWKAMANDTDU-PBHICJAKSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCn1c(N(C)CC2CCCC2)nnc1[C@]1(C)CCCO1 ZINC000453438060 433182951 /nfs/dbraw/zinc/18/29/51/433182951.db2.gz JUDRYRWQWKBPMD-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2CC[C@H](C)[C@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453435091 433183291 /nfs/dbraw/zinc/18/32/91/433183291.db2.gz GFRVHXPEPJLZKA-JJRVBVJISA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453443006 433186248 /nfs/dbraw/zinc/18/62/48/433186248.db2.gz PZNIHPCQVUFHJB-RDTXWAMCSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453441269 433186514 /nfs/dbraw/zinc/18/65/14/433186514.db2.gz NVJHAIVNOYVFAX-CPUCHLNUSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N(CC)C[C@@H](C)CC)nnc1[C@@]1(C)CCCO1 ZINC000453444768 433190552 /nfs/dbraw/zinc/19/05/52/433190552.db2.gz SSKRHJIMTGGRSR-WMLDXEAASA-N 0 0 306.454 3.362 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000453463727 433197365 /nfs/dbraw/zinc/19/73/65/433197365.db2.gz JJLKZQCOASRSEC-HRCADAONSA-N 0 0 316.449 3.332 10 30 DGEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](COC)CC1 ZINC000453458860 433197813 /nfs/dbraw/zinc/19/78/13/433197813.db2.gz BFCBZIFFVZUANW-MRXNPFEDSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453471783 433200614 /nfs/dbraw/zinc/20/06/14/433200614.db2.gz UWQODIWVOIVNMB-YJBOKZPZSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCCCN(C)c1nnc([C@@]2(C)CCCO2)n1CC(C)C ZINC000453474734 433201223 /nfs/dbraw/zinc/20/12/23/433201223.db2.gz BGTNJFDPAWMVCV-QGZVFWFLSA-N 0 0 306.454 3.362 10 30 DGEERN C=CC1CCN(c2nnc([C@@]3(C)CCCO3)n2CC(C)C)CC1 ZINC000453486298 433204823 /nfs/dbraw/zinc/20/48/23/433204823.db2.gz ZFEGHHRRQJUESZ-GOSISDBHSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374513460 433206637 /nfs/dbraw/zinc/20/66/37/433206637.db2.gz KOWJYQKNPNXSMO-NUJGCVRESA-N 0 0 303.377 3.065 10 30 DGEERN C=C(C)[C@@H](NCc1cnc(OC)nc1C)c1ccc(F)c(F)c1 ZINC000337202340 433213792 /nfs/dbraw/zinc/21/37/92/433213792.db2.gz GTAVPNWLJYABRC-MRXNPFEDSA-N 0 0 319.355 3.479 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281190401 433268907 /nfs/dbraw/zinc/26/89/07/433268907.db2.gz SAVSLXUATFANDK-HOTGVXAUSA-N 0 0 314.429 3.100 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)COc1ccsc1 ZINC000337462752 433238789 /nfs/dbraw/zinc/23/87/89/433238789.db2.gz NDYOKXBSYGDSQD-UHFFFAOYSA-N 0 0 312.394 3.213 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000447612097 433249750 /nfs/dbraw/zinc/24/97/50/433249750.db2.gz PAWDQKOMXFJDQR-OAHLLOKOSA-N 0 0 305.393 3.455 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CC1 ZINC000337767618 433255361 /nfs/dbraw/zinc/25/53/61/433255361.db2.gz CHJYKUOWRZLEME-HUUCEWRRSA-N 0 0 318.465 3.229 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC(=O)[C@H](C)C2)c1 ZINC000281023751 433255456 /nfs/dbraw/zinc/25/54/56/433255456.db2.gz SLXYDCBDFWWZRX-CYBMUJFWSA-N 0 0 302.374 3.084 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc2cnccc2c1 ZINC000453697643 433262823 /nfs/dbraw/zinc/26/28/23/433262823.db2.gz NJJFTRNHFPEYHR-ZDUSSCGKSA-N 0 0 311.385 3.034 10 30 DGEERN C=CCC1(C(=O)N(CC(F)F)CC2CCC2)CCOCC1 ZINC000425594500 433314137 /nfs/dbraw/zinc/31/41/37/433314137.db2.gz YPMNQIDMXGRUFM-UHFFFAOYSA-N 0 0 301.377 3.253 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccccc1C ZINC000425593446 433315033 /nfs/dbraw/zinc/31/50/33/433315033.db2.gz XTEAGWFVIGXZDE-SZMVWBNQSA-N 0 0 314.429 3.433 10 30 DGEERN C=CCCCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000447899899 433318968 /nfs/dbraw/zinc/31/89/68/433318968.db2.gz YADRPEXSADNTEZ-CYBMUJFWSA-N 0 0 322.478 3.463 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N(C)CCc1ncc(C)s1 ZINC000338791435 433323814 /nfs/dbraw/zinc/32/38/14/433323814.db2.gz VEJBSXMTUYARRU-UHFFFAOYSA-N 0 0 319.478 3.421 10 30 DGEERN C=C[C@@H]1OCC[C@H]1Nc1nccc2cc(Br)ccc21 ZINC000413312114 433271369 /nfs/dbraw/zinc/27/13/69/433271369.db2.gz FYLFDZPRJORKKZ-KGLIPLIRSA-N 0 0 319.202 3.753 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000425564470 433302576 /nfs/dbraw/zinc/30/25/76/433302576.db2.gz LVJGRSXXARTWGR-OFQRWUPVSA-N 0 0 316.401 3.107 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000425568488 433304291 /nfs/dbraw/zinc/30/42/91/433304291.db2.gz VZNGINOFEDSMGN-BZSNNMDCSA-N 0 0 314.429 3.167 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000425574511 433307563 /nfs/dbraw/zinc/30/75/63/433307563.db2.gz LGIMUFQQGSRLBA-ZFWWWQNUSA-N 0 0 306.431 3.037 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000448029894 433349519 /nfs/dbraw/zinc/34/95/19/433349519.db2.gz JNIICJRTJOCVPW-KRWDZBQOSA-N 0 0 302.418 3.298 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000291814076 433361224 /nfs/dbraw/zinc/36/12/24/433361224.db2.gz HYFOJSVWDIZVDT-GDBMZVCRSA-N 0 0 320.383 3.308 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1Cc2ccccc2C[C@H]1CC ZINC000425846168 433361615 /nfs/dbraw/zinc/36/16/15/433361615.db2.gz BOVJIYBHDCPKID-JQHSSLGASA-N 0 0 314.429 3.124 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCC(=O)c1cccs1 ZINC000299305658 433362603 /nfs/dbraw/zinc/36/26/03/433362603.db2.gz QUMQCYRKCGUIIV-UHFFFAOYSA-N 0 0 305.321 3.288 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000291814080 433362935 /nfs/dbraw/zinc/36/29/35/433362935.db2.gz HYFOJSVWDIZVDT-GOEBONIOSA-N 0 0 320.383 3.308 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000425923543 433371736 /nfs/dbraw/zinc/37/17/36/433371736.db2.gz RYVBDBKOGFVSEG-GJZGRUSLSA-N 0 0 324.490 3.181 10 30 DGEERN CC(C)n1cc(C#N)c(NC(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000448192019 433373846 /nfs/dbraw/zinc/37/38/46/433373846.db2.gz SYSQUABXMKOWQT-UHFFFAOYSA-N 0 0 320.755 3.309 10 30 DGEERN C=CCCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000447948036 433328186 /nfs/dbraw/zinc/32/81/86/433328186.db2.gz KERBRTVHHPZXDF-UHFFFAOYSA-N 0 0 320.780 3.155 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374986901 433330066 /nfs/dbraw/zinc/33/00/66/433330066.db2.gz BZMDBRXZXXINPK-ZDUSSCGKSA-N 0 0 320.820 3.332 10 30 DGEERN C=CCCCNC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000447978277 433338264 /nfs/dbraw/zinc/33/82/64/433338264.db2.gz RIVDNAWTURZGAU-UHFFFAOYSA-N 0 0 316.323 3.393 10 30 DGEERN C=CCCCNC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000447968458 433339223 /nfs/dbraw/zinc/33/92/23/433339223.db2.gz PTDLGAUTKXHTCZ-UHFFFAOYSA-N 0 0 316.323 3.350 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000447995375 433344142 /nfs/dbraw/zinc/34/41/42/433344142.db2.gz ZWVJSSCGSJRSMN-UHFFFAOYSA-N 0 0 300.362 3.387 10 30 DGEERN C=CCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000448381285 433404379 /nfs/dbraw/zinc/40/43/79/433404379.db2.gz JBWFBKSEJWFSPE-UHFFFAOYSA-N 0 0 303.362 3.235 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@]23CCOC3)c1 ZINC000421053741 433411380 /nfs/dbraw/zinc/41/13/80/433411380.db2.gz PHDSPWJPVIVSDS-QGZVFWFLSA-N 0 0 302.374 3.038 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2C[C@H](O)CC[C@H]2C)c1 ZINC000421050255 433411392 /nfs/dbraw/zinc/41/13/92/433411392.db2.gz HGWOKDDKJUOJHI-UKRRQHHQSA-N 0 0 304.390 3.019 10 30 DGEERN C[C@@H](Nc1ccc(C#N)cc1F)C(=O)N1CCc2ccccc21 ZINC000301188252 433449215 /nfs/dbraw/zinc/44/92/15/433449215.db2.gz QMOUKZRHEXNVEI-GFCCVEGCSA-N 0 0 309.344 3.087 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@@]3(C2)CCCOC3)c1 ZINC000375408201 433455506 /nfs/dbraw/zinc/45/55/06/433455506.db2.gz CBGLSJDLRPYDOD-GOSISDBHSA-N 0 0 316.401 3.286 10 30 DGEERN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)n1C ZINC000448634320 433467506 /nfs/dbraw/zinc/46/75/06/433467506.db2.gz KKKRRXWVLRLOPY-UHFFFAOYSA-N 0 0 307.806 3.274 10 30 DGEERN N#CCc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000361981776 433478491 /nfs/dbraw/zinc/47/84/91/433478491.db2.gz CIMBKTLKKBEIPD-FQEVSTJZSA-N 0 0 322.408 3.032 10 30 DGEERN Cc1nn(C)c(C)c1CCNc1c(C#N)cnc2ccccc21 ZINC000301349087 433517375 /nfs/dbraw/zinc/51/73/75/433517375.db2.gz LTMGGOCSSAGCRD-UHFFFAOYSA-N 0 0 305.385 3.111 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282176640 433518620 /nfs/dbraw/zinc/51/86/20/433518620.db2.gz OEURHIXGRRZCEG-LSDHHAIUSA-N 0 0 316.449 3.073 10 30 DGEERN C=CCSCCNc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000301357420 433520590 /nfs/dbraw/zinc/52/05/90/433520590.db2.gz LGBFMKIDNUJTNV-UHFFFAOYSA-N 0 0 321.833 3.217 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000448754401 433530752 /nfs/dbraw/zinc/53/07/52/433530752.db2.gz ZTUXTCLYUFJFDM-CYBMUJFWSA-N 0 0 321.302 3.320 10 30 DGEERN C=CCNC(=O)c1ccc(N2CCC[C@H]2CC(C)(C)C)nc1 ZINC000301396633 433535090 /nfs/dbraw/zinc/53/50/90/433535090.db2.gz GJOCNXKKFNTRGJ-HNNXBMFYSA-N 0 0 301.434 3.402 10 30 DGEERN N#Cc1cc(F)ccc1NCC[S@@](=O)Cc1ccccc1 ZINC000301402385 433537334 /nfs/dbraw/zinc/53/73/34/433537334.db2.gz RECMHSIYSZHFAQ-OAQYLSRUSA-N 0 0 302.374 3.058 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(COC)cc(C(=O)OC)c1 ZINC000292181561 433493837 /nfs/dbraw/zinc/49/38/37/433493837.db2.gz VTHZFXBVSHLEFO-GFCCVEGCSA-N 0 0 305.374 3.160 10 30 DGEERN C=C[C@H](Cc1nc(COC[C@H]2CCOC2)no1)c1ccccc1 ZINC000351397632 433502827 /nfs/dbraw/zinc/50/28/27/433502827.db2.gz FCXAEQMLODFBFI-LSDHHAIUSA-N 0 0 314.385 3.135 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000448703530 433503754 /nfs/dbraw/zinc/50/37/54/433503754.db2.gz BPQGMWWJVIPBBS-MRXNPFEDSA-N 0 0 308.385 3.049 10 30 DGEERN C=CCOc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000426670072 433556129 /nfs/dbraw/zinc/55/61/29/433556129.db2.gz QBNMONIXYOMGSU-HNNXBMFYSA-N 0 0 305.418 3.478 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ncnn1C(C)(C)C ZINC000282304896 433558326 /nfs/dbraw/zinc/55/83/26/433558326.db2.gz XOFPWBJXGUQAKF-UHFFFAOYSA-N 0 0 316.361 3.249 10 30 DGEERN C=CCOc1ccccc1C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000426675444 433560909 /nfs/dbraw/zinc/56/09/09/433560909.db2.gz SEPCAYRAFUISJN-OAHLLOKOSA-N 0 0 305.418 3.478 10 30 DGEERN C=CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000426691658 433563633 /nfs/dbraw/zinc/56/36/33/433563633.db2.gz KAJVVFSWDOUCGE-KOMQPUFPSA-N 0 0 303.402 3.232 10 30 DGEERN C=CCN(CCC#N)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000292519761 433577271 /nfs/dbraw/zinc/57/72/71/433577271.db2.gz UDHSOBLDFXXOMS-UHFFFAOYSA-N 0 0 314.719 3.396 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@@H]2OC)nnc1-c1ccccn1 ZINC000292590786 433580821 /nfs/dbraw/zinc/58/08/21/433580821.db2.gz GSEUESKHYVBLSP-UONOGXRCSA-N 0 0 316.430 3.186 10 30 DGEERN CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(C#N)n1C ZINC000448855923 433583542 /nfs/dbraw/zinc/58/35/42/433583542.db2.gz HAUQWTJKSBZMMY-HNNXBMFYSA-N 0 0 311.385 3.177 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000282245433 433542254 /nfs/dbraw/zinc/54/22/54/433542254.db2.gz KIMGBIDPSDYZLS-NSHDSACASA-N 0 0 300.328 3.120 10 30 DGEERN COc1ccc(CSCc2cccc(C(N)=O)c2)cc1C#N ZINC000161636280 292839330 /nfs/dbraw/zinc/83/93/30/292839330.db2.gz XACKCTSMHZFEGW-UHFFFAOYSA-N 0 0 312.394 3.099 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000448958098 433631022 /nfs/dbraw/zinc/63/10/22/433631022.db2.gz ZDYKDUZPPZHEOJ-IMJJTQAJSA-N 0 0 305.805 3.247 10 30 DGEERN C=CCC1(NC(=O)CNC(=O)c2ccccc2C)CCCCC1 ZINC000456389267 433635455 /nfs/dbraw/zinc/63/54/55/433635455.db2.gz XPTPQMYGKOEGRB-UHFFFAOYSA-N 0 0 314.429 3.120 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426804909 433606842 /nfs/dbraw/zinc/60/68/42/433606842.db2.gz XEDVOSIOYZJNMV-KRWDZBQOSA-N 0 0 315.344 3.306 10 30 DGEERN C=CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426799822 433607679 /nfs/dbraw/zinc/60/76/79/433607679.db2.gz JGGUXYNFCFFGBS-QGZVFWFLSA-N 0 0 315.344 3.306 10 30 DGEERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301556575 433611639 /nfs/dbraw/zinc/61/16/39/433611639.db2.gz NNCHDUCVDBCZLO-DCVWQXJKSA-N 0 0 312.385 3.328 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1nc(C(C)(C)C)cs1 ZINC000448927673 433616648 /nfs/dbraw/zinc/61/66/48/433616648.db2.gz YHWWHAOPQLOHLM-SNVBAGLBSA-N 0 0 316.430 3.142 10 30 DGEERN C=CCC1(NC(=O)Cn2cc(-c3ccccc3)nn2)CCCCC1 ZINC000456370062 433621431 /nfs/dbraw/zinc/62/14/31/433621431.db2.gz QVMMEXSYTNJWGF-UHFFFAOYSA-N 0 0 324.428 3.340 10 30 DGEERN C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)CC ZINC000282668750 433622036 /nfs/dbraw/zinc/62/20/36/433622036.db2.gz AFJGTNUVNNYNAP-UHFFFAOYSA-N 0 0 304.369 3.028 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000375947269 433624102 /nfs/dbraw/zinc/62/41/02/433624102.db2.gz UIAXLAUVDRKXMD-LBPRGKRZSA-N 0 0 317.385 3.350 10 30 DGEERN C=CCCC(=O)NC(C)(C)C1CCN(C(=O)CCC=C)CC1 ZINC000421557740 433625863 /nfs/dbraw/zinc/62/58/63/433625863.db2.gz NAGNGTOLOXPOCI-UHFFFAOYSA-N 0 0 306.450 3.052 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000376221811 433692482 /nfs/dbraw/zinc/69/24/82/433692482.db2.gz WFJFKKDKSXWOQY-LBPRGKRZSA-N 0 0 305.341 3.485 10 30 DGEERN CCCCCCCCOCC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000376095006 433662330 /nfs/dbraw/zinc/66/23/30/433662330.db2.gz STBWBENMQHODLY-MRXNPFEDSA-N 0 0 307.438 3.450 10 30 DGEERN C=CCC1(CNC(=O)c2c[nH]cc2-c2cnn(C)c2)CCCC1 ZINC000456489710 433690402 /nfs/dbraw/zinc/69/04/02/433690402.db2.gz VCNKOZJFJGTGSW-UHFFFAOYSA-N 0 0 312.417 3.282 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@H](C)CCC(=O)OCC ZINC000362403636 433696291 /nfs/dbraw/zinc/69/62/91/433696291.db2.gz QGAIFNCDAXCMIF-CYBMUJFWSA-N 0 0 321.442 3.426 10 30 DGEERN C=C(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414532964 433698003 /nfs/dbraw/zinc/69/80/03/433698003.db2.gz DRHSPVOUQDXUMT-GJZGRUSLSA-N 0 0 318.490 3.281 10 30 DGEERN COc1cccc([C@H]2C[C@H](NC(=O)c3sccc3C#N)C2)c1 ZINC000456505344 433695546 /nfs/dbraw/zinc/69/55/46/433695546.db2.gz HWSJKVQQFPOCGS-HDJSIYSDSA-N 0 0 312.394 3.304 10 30 DGEERN C=CCC(CC=C)C(=O)OCc1cc2ccccc2n(C)c1=O ZINC000293345857 433704183 /nfs/dbraw/zinc/70/41/83/433704183.db2.gz AXVLNIHMHVBOFU-UHFFFAOYSA-N 0 0 311.381 3.350 10 30 DGEERN C[C@@H](O)[C@H]1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000301755129 433709060 /nfs/dbraw/zinc/70/90/60/433709060.db2.gz CXEFLFIXRFOJSA-NEPJUHHUSA-N 0 0 315.804 3.357 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000362496594 433732877 /nfs/dbraw/zinc/73/28/77/433732877.db2.gz HGJUGIKQEGVJKL-CVEARBPZSA-N 0 0 318.373 3.067 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456600354 433743772 /nfs/dbraw/zinc/74/37/72/433743772.db2.gz BPWYYNVDIWPNRX-KKUMJFAQSA-N 0 0 314.429 3.071 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CC=C(c2ccccc2F)C1)OCC ZINC000376494908 433756206 /nfs/dbraw/zinc/75/62/06/433756206.db2.gz JNMISXSLWXTUHX-KRWDZBQOSA-N 0 0 303.377 3.423 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000293382431 433722874 /nfs/dbraw/zinc/72/28/74/433722874.db2.gz QXPWKONLTNPFSF-CABCVRRESA-N 0 0 304.409 3.371 10 30 DGEERN N#Cc1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)ccc1F ZINC000339775040 433773935 /nfs/dbraw/zinc/77/39/35/433773935.db2.gz DEMOZRQDDUMRQC-SJLPKXTDSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339783993 433783420 /nfs/dbraw/zinc/78/34/20/433783420.db2.gz SUFGGZMIEORIQR-ROUUACIJSA-N 0 0 314.335 3.144 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000376707102 433800988 /nfs/dbraw/zinc/80/09/88/433800988.db2.gz PTMFHBAXLALDQH-IBGZPJMESA-N 0 0 308.425 3.079 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000376732347 433804662 /nfs/dbraw/zinc/80/46/62/433804662.db2.gz DIVYAZUFAQUEDK-UHFFFAOYSA-N 0 0 315.457 3.236 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000362694571 433825162 /nfs/dbraw/zinc/82/51/62/433825162.db2.gz LFSGZAJYEDPDCA-OIBJUYFYSA-N 0 0 301.173 3.301 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000456757145 433810486 /nfs/dbraw/zinc/81/04/86/433810486.db2.gz AEOYFIRHILJWGC-VIFPVBQESA-N 0 0 306.164 3.189 10 30 DGEERN COC(=O)CC1(CC(=O)Nc2cccc(CC#N)c2)CCCC1 ZINC000456762229 433814571 /nfs/dbraw/zinc/81/45/71/433814571.db2.gz YUHJDPKGDYWBKI-UHFFFAOYSA-N 0 0 314.385 3.205 10 30 DGEERN C=CCO[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000302171143 433816363 /nfs/dbraw/zinc/81/63/63/433816363.db2.gz PXEAUZKOOPDZIG-LBPRGKRZSA-N 0 0 307.191 3.102 10 30 DGEERN C=C(C)CS(=O)(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000435421632 433872711 /nfs/dbraw/zinc/87/27/11/433872711.db2.gz IWVWTIXYEWFPIA-KRWDZBQOSA-N 0 0 305.443 3.434 10 30 DGEERN C=C(C)COCCNc1nn2cc(C3CCCC3)nc2s1 ZINC000302555569 433825631 /nfs/dbraw/zinc/82/56/31/433825631.db2.gz RRUAXORABDPZGL-UHFFFAOYSA-N 0 0 306.435 3.453 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cncc(Cl)c1Cl ZINC000362728020 433836309 /nfs/dbraw/zinc/83/63/09/433836309.db2.gz XUDRCPPYYMFRNT-PRHODGIISA-N 0 0 301.173 3.308 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1ncnc2cc(Cl)ccc21 ZINC000435588804 433877803 /nfs/dbraw/zinc/87/78/03/433877803.db2.gz MVUFFUUMRCLVFJ-IAQYHMDHSA-N 0 0 303.793 3.676 10 30 DGEERN Cc1ccc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)nc1C#N ZINC000302738580 433846768 /nfs/dbraw/zinc/84/67/68/433846768.db2.gz BTROVUKHMPJKSL-BXUZGUMPSA-N 0 0 313.323 3.157 10 30 DGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccc(F)c(F)c1 ZINC000302753115 433851902 /nfs/dbraw/zinc/85/19/02/433851902.db2.gz VUIDXZBAVDRHGN-MRVPVSSYSA-N 0 0 304.256 3.313 10 30 DGEERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)n1C ZINC000449904070 433862387 /nfs/dbraw/zinc/86/23/87/433862387.db2.gz VDQULSMAZFZNCO-OCCSQVGLSA-N 0 0 311.360 3.054 10 30 DGEERN CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(C#N)n1C ZINC000449973590 433903651 /nfs/dbraw/zinc/90/36/51/433903651.db2.gz JTLAIBDPRJKTBK-UHFFFAOYSA-N 0 0 300.337 3.108 10 30 DGEERN C[C@@H](Nc1cccc(C#N)n1)C1CCN(CC(F)(F)F)CC1 ZINC000302904541 433904896 /nfs/dbraw/zinc/90/48/96/433904896.db2.gz VESODLYVHVSAGV-LLVKDONJSA-N 0 0 312.339 3.028 10 30 DGEERN N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000340077750 433911163 /nfs/dbraw/zinc/91/11/63/433911163.db2.gz BNVXFGNEFKRBFX-YOEHRIQHSA-N 0 0 300.308 3.149 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1sc([C@H](C)OC)nc1C ZINC000362993862 433943122 /nfs/dbraw/zinc/94/31/22/433943122.db2.gz SYPHOTKMEMVIME-VIFPVBQESA-N 0 0 322.352 3.349 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)CCCC1 ZINC000450059001 433946367 /nfs/dbraw/zinc/94/63/67/433946367.db2.gz RZGXJZZFDVKQSV-CQSZACIVSA-N 0 0 307.434 3.313 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000450068670 433953409 /nfs/dbraw/zinc/95/34/09/433953409.db2.gz QGZMDLTYXOBIMX-HXUWFJFHSA-N 0 0 321.424 3.382 10 30 DGEERN N#Cc1cccc(C#N)c1NCC[C@@H]1COc2ccccc2O1 ZINC000436400738 433958452 /nfs/dbraw/zinc/95/84/52/433958452.db2.gz LMTUHZWXIWFWME-OAHLLOKOSA-N 0 0 305.337 3.072 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000357377222 433978884 /nfs/dbraw/zinc/97/88/84/433978884.db2.gz PJCDVGMVVWOFSH-IOASZLSFSA-N 0 0 320.458 3.158 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000436483771 433980482 /nfs/dbraw/zinc/98/04/82/433980482.db2.gz CYCGSRMPZAVCSV-UHFFFAOYSA-N 0 0 300.406 3.363 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000285549769 433991144 /nfs/dbraw/zinc/99/11/44/433991144.db2.gz AOEPWMRUKISUAE-NSHDSACASA-N 0 0 305.403 3.359 10 30 DGEERN C=C(Cl)CNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000363237681 434003266 /nfs/dbraw/zinc/00/32/66/434003266.db2.gz OQRONYNURDIABL-HNNXBMFYSA-N 0 0 301.777 3.223 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCOC2 ZINC000416105128 434021444 /nfs/dbraw/zinc/02/14/44/434021444.db2.gz DLYCULBUPOUMTI-SNVBAGLBSA-N 0 0 323.414 3.148 10 30 DGEERN N#Cc1cccc(CN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000340235723 434000732 /nfs/dbraw/zinc/00/07/32/434000732.db2.gz JHGJJBOKKDBVQZ-CRAIPNDOSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CC(C(C)(C)C)C1 ZINC000457314260 434097888 /nfs/dbraw/zinc/09/78/88/434097888.db2.gz AVLXMXWECSJSKS-UHFFFAOYSA-N 0 0 303.402 3.378 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cn(C(C)(C)C)nc1C ZINC000285921816 434107494 /nfs/dbraw/zinc/10/74/94/434107494.db2.gz SZAFONBQSTXMKX-QGZVFWFLSA-N 0 0 323.440 3.311 10 30 DGEERN C#CCCOc1ccc(C(=O)Nc2nccn2CC(C)C)cc1 ZINC000294421049 434112469 /nfs/dbraw/zinc/11/24/69/434112469.db2.gz FGIDGTSCZUOONC-UHFFFAOYSA-N 0 0 311.385 3.194 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2C1 ZINC000285981038 434129236 /nfs/dbraw/zinc/12/92/36/434129236.db2.gz XCRCIFQFEYHENM-HXUWFJFHSA-N 0 0 303.405 3.152 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000285995346 434130683 /nfs/dbraw/zinc/13/06/83/434130683.db2.gz NUGORGKREIQQFZ-TZMCWYRMSA-N 0 0 315.398 3.125 10 30 DGEERN Cc1ccnc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000363782252 434144628 /nfs/dbraw/zinc/14/46/28/434144628.db2.gz UHXZKEGKPGTSAX-UHFFFAOYSA-N 0 0 309.388 3.155 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)ccc1OC ZINC000286077134 434157266 /nfs/dbraw/zinc/15/72/66/434157266.db2.gz ACEGECZWDDIYSX-INIZCTEOSA-N 0 0 323.392 3.068 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000450433136 434175229 /nfs/dbraw/zinc/17/52/29/434175229.db2.gz JNVQVRGHUOBDMN-UHFFFAOYSA-N 0 0 302.403 3.194 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000364003047 434205429 /nfs/dbraw/zinc/20/54/29/434205429.db2.gz OEATYQOLQXJFLI-MRXNPFEDSA-N 0 0 318.417 3.177 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000364375195 434268763 /nfs/dbraw/zinc/26/87/63/434268763.db2.gz OMDRIYKDARFWJJ-IRXDYDNUSA-N 0 0 316.420 3.434 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H](C)CC(F)(F)F ZINC000457567330 434239795 /nfs/dbraw/zinc/23/97/95/434239795.db2.gz VOJXWVVGXLJQSR-LLVKDONJSA-N 0 0 301.308 3.456 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000365071157 434287442 /nfs/dbraw/zinc/28/74/42/434287442.db2.gz JGUFHZUIGJRZHJ-QGZVFWFLSA-N 0 0 322.412 3.124 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC(c3ccccn3)CC2)c1 ZINC000365036659 434288863 /nfs/dbraw/zinc/28/88/63/434288863.db2.gz MOXCQOCBMHOFMK-UHFFFAOYSA-N 0 0 305.381 3.474 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000328634272 434290240 /nfs/dbraw/zinc/29/02/40/434290240.db2.gz TXZFGJBQNHJGGS-LALPHHSUSA-N 0 0 303.362 3.117 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](C)C[C@@H](C)C1)CCC2 ZINC000328659057 434295095 /nfs/dbraw/zinc/29/50/95/434295095.db2.gz SBHOEDZHXJVMBU-LZWOXQAQSA-N 0 0 318.465 3.351 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](CC(C)C)C1)CCC2 ZINC000328662970 434298208 /nfs/dbraw/zinc/29/82/08/434298208.db2.gz XRJMRKSVNGLFIR-CVEARBPZSA-N 0 0 318.465 3.351 10 30 DGEERN CN1C[C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)Cc2ccccc21 ZINC000328696844 434300379 /nfs/dbraw/zinc/30/03/79/434300379.db2.gz DJCUXHFBXQNJHI-UGSOOPFHSA-N 0 0 315.417 3.008 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000437779358 434333956 /nfs/dbraw/zinc/33/39/56/434333956.db2.gz WNVPBVKJUPVGDW-UNEWFSDZSA-N 0 0 320.433 3.190 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000295340062 434316459 /nfs/dbraw/zinc/31/64/59/434316459.db2.gz NJIYXXJQTYUTQK-FXAWDEMLSA-N 0 0 306.409 3.211 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C(C1CC1)C1CC1 ZINC000287263965 434317030 /nfs/dbraw/zinc/31/70/30/434317030.db2.gz HILMIASJHKROHF-GOSISDBHSA-N 0 0 310.441 3.451 10 30 DGEERN O=C(N[C@H](c1ccccc1)C1CC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328882808 434319372 /nfs/dbraw/zinc/31/93/72/434319372.db2.gz LZYNUVNIPZZLQA-BRWVUGGUSA-N 0 0 300.402 3.209 10 30 DGEERN CC1(C#N)CCN(Cc2ccn(CCc3ccccc3)n2)CC1 ZINC000450716954 434361518 /nfs/dbraw/zinc/36/15/18/434361518.db2.gz ZATCWDKUVAJIDY-UHFFFAOYSA-N 0 0 308.429 3.251 10 30 DGEERN Cc1noc([C@H](NC(=O)C[C@H]2C=CCC2)C2CCOCC2)n1 ZINC000329122458 434363578 /nfs/dbraw/zinc/36/35/78/434363578.db2.gz KWWWPUAQFZPTSC-SWLSCSKDSA-N 0 0 305.378 3.159 10 30 DGEERN CC1CCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329273027 434381964 /nfs/dbraw/zinc/38/19/64/434381964.db2.gz JUQZIGHKGWDUOW-CQSZACIVSA-N 0 0 318.465 3.141 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287328460 434335231 /nfs/dbraw/zinc/33/52/31/434335231.db2.gz MMNSCJOZGKNVMC-HXUWFJFHSA-N 0 0 320.436 3.113 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437789755 434339398 /nfs/dbraw/zinc/33/93/98/434339398.db2.gz WLJWEOFNZRXNCX-KOMQPUFPSA-N 0 0 322.836 3.478 10 30 DGEERN N#Cc1ccc(Nc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000390372105 434357063 /nfs/dbraw/zinc/35/70/63/434357063.db2.gz JBYGBGSRPULMCJ-UHFFFAOYSA-N 0 0 319.324 3.455 10 30 DGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H](C2CC2)C1 ZINC000329335642 434392403 /nfs/dbraw/zinc/39/24/03/434392403.db2.gz ORSJOFDSYUSFKM-UONOGXRCSA-N 0 0 305.422 3.064 10 30 DGEERN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1cc[nH]n1 ZINC000329333467 434392944 /nfs/dbraw/zinc/39/29/44/434392944.db2.gz KGAPSOFAYNKWJL-QLFDAEIZSA-N 0 0 316.449 3.155 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)no1 ZINC000329332616 434395021 /nfs/dbraw/zinc/39/50/21/434395021.db2.gz WSHKVIFZCWHUHL-GJZGRUSLSA-N 0 0 312.373 3.116 10 30 DGEERN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C#N)n1C)[C@H]2C ZINC000450780154 434403938 /nfs/dbraw/zinc/40/39/38/434403938.db2.gz PYDFTHQHZXGIAW-STQMWFEESA-N 0 0 323.396 3.053 10 30 DGEERN N#Cc1cnc(C(=O)N2CC3(CC3)c3ccccc32)c(Cl)c1 ZINC000358880617 434408057 /nfs/dbraw/zinc/40/80/57/434408057.db2.gz RDVPAESUDAZRNV-UHFFFAOYSA-N 0 0 309.756 3.299 10 30 DGEERN C[C@H](NC(=O)N1CCO[C@@H](C2CCCCC2)C1)c1cccnc1 ZINC000329458009 434411367 /nfs/dbraw/zinc/41/13/67/434411367.db2.gz QUEWLERBWJGTPG-WMLDXEAASA-N 0 0 317.433 3.338 10 30 DGEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCCS2(=O)=O)CC(C)(C)C1 ZINC000329644624 434448193 /nfs/dbraw/zinc/44/81/93/434448193.db2.gz JCXPYWUFLWNGNY-RDBSUJKOSA-N 0 0 315.479 3.373 10 30 DGEERN N#CCSCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129506754 294811040 /nfs/dbraw/zinc/81/10/40/294811040.db2.gz YAMQOYHJEOAQAL-AWEZNQCLSA-N 0 0 316.426 3.196 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1cccc(Br)c1 ZINC000287673920 434422764 /nfs/dbraw/zinc/42/27/64/434422764.db2.gz SHBIVGZSQWWBMB-UHFFFAOYSA-N 0 0 318.214 3.070 10 30 DGEERN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000329578567 434438382 /nfs/dbraw/zinc/43/83/82/434438382.db2.gz PBHUOXDGKBEVGW-CYZMBNFOSA-N 0 0 307.777 3.100 10 30 DGEERN C=CC(C)(C)C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000295839914 434438683 /nfs/dbraw/zinc/43/86/83/434438683.db2.gz CWFUGTMQAKZPJN-UHFFFAOYSA-N 0 0 316.420 3.391 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458050808 434458459 /nfs/dbraw/zinc/45/84/59/434458459.db2.gz WVYLMCBGTMEULB-GHJWDPDVSA-N 0 0 309.431 3.040 10 30 DGEERN C#CCC(CC#C)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000287843203 434463873 /nfs/dbraw/zinc/46/38/73/434463873.db2.gz LKVFOYRNGFUQIN-CQSZACIVSA-N 0 0 311.347 3.230 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000287943534 434483244 /nfs/dbraw/zinc/48/32/44/434483244.db2.gz KFOUUSKAUOACIU-UHFFFAOYSA-N 0 0 309.409 3.028 10 30 DGEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000329832961 434486617 /nfs/dbraw/zinc/48/66/17/434486617.db2.gz GDUKMNIDGGKTRX-FRRDWIJNSA-N 0 0 317.339 3.305 10 30 DGEERN C=C(CNS(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000296054241 434494608 /nfs/dbraw/zinc/49/46/08/434494608.db2.gz OTYOAIKIJMKVFC-AWEZNQCLSA-N 0 0 315.385 3.055 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCC(=O)NC(C)(C)CC ZINC000438292311 434450478 /nfs/dbraw/zinc/45/04/78/434450478.db2.gz DPKIPLIXBNJPTL-UHFFFAOYSA-N 0 0 305.418 3.416 10 30 DGEERN C=CCCCCCN(C)C(=O)c1ccnn1CC(F)(F)F ZINC000295960644 434451767 /nfs/dbraw/zinc/45/17/67/434451767.db2.gz VCTSJVYNIYZNAV-UHFFFAOYSA-N 0 0 303.328 3.264 10 30 DGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000114499730 294938038 /nfs/dbraw/zinc/93/80/38/294938038.db2.gz SBXGMPSZXUYGJC-KRWDZBQOSA-N 0 0 316.426 3.069 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1nc(C)cc(C)c1C#N)CC2 ZINC000366821004 434518636 /nfs/dbraw/zinc/51/86/36/434518636.db2.gz ATXULVRZFRDXDJ-UHFFFAOYSA-N 0 0 319.408 3.378 10 30 DGEERN C/C(=C\C(C)(C)C)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367130678 434541243 /nfs/dbraw/zinc/54/12/43/434541243.db2.gz IPDWBJOTYTUXFD-FYWRMAATSA-N 0 0 311.429 3.458 10 30 DGEERN C[C@H]1CCOCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000367645585 434552371 /nfs/dbraw/zinc/55/23/71/434552371.db2.gz MSXOOKLQCPYCSD-ZDUSSCGKSA-N 0 0 313.319 3.048 10 30 DGEERN C=C(C)CN(C)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000367889210 434558952 /nfs/dbraw/zinc/55/89/52/434558952.db2.gz OTSVEBANQCFWEY-UHFFFAOYSA-N 0 0 302.374 3.470 10 30 DGEERN CC(C)(C#N)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000408385221 434568142 /nfs/dbraw/zinc/56/81/42/434568142.db2.gz JBGBXBSGNYOWPR-UHFFFAOYSA-N 0 0 312.417 3.366 10 30 DGEERN C=CC1CCN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000408355823 434565293 /nfs/dbraw/zinc/56/52/93/434565293.db2.gz BTCUDWSROJIXAB-UHFFFAOYSA-N 0 0 322.455 3.191 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000451507575 434572741 /nfs/dbraw/zinc/57/27/41/434572741.db2.gz KPGBFOAOYNPVSO-FRRDWIJNSA-N 0 0 317.351 3.159 10 30 DGEERN C#CCCCNC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000368485272 434574090 /nfs/dbraw/zinc/57/40/90/434574090.db2.gz GKMRHIKSUPQRQA-MRXNPFEDSA-N 0 0 314.433 3.088 10 30 DGEERN CC1(C)CN(C(=O)NCC2(CC#N)CC2)CC[C@H]1C(F)(F)F ZINC000408385329 434569321 /nfs/dbraw/zinc/56/93/21/434569321.db2.gz LHGYULZXBPSOED-LLVKDONJSA-N 0 0 317.355 3.300 10 30 DGEERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c(C#N)cc1N(C)C ZINC000408465128 434579319 /nfs/dbraw/zinc/57/93/19/434579319.db2.gz GNXJNPASHNXFAO-XJKSGUPXSA-N 0 0 312.417 3.339 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000369539654 434596401 /nfs/dbraw/zinc/59/64/01/434596401.db2.gz FWFQJQYOGNWIPF-LMMKCTJWSA-N 0 0 317.404 3.297 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)CCOC ZINC000439390430 434596776 /nfs/dbraw/zinc/59/67/76/434596776.db2.gz ZCYVXIASZPZYAJ-OAHLLOKOSA-N 0 0 320.433 3.057 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000452402253 434594396 /nfs/dbraw/zinc/59/43/96/434594396.db2.gz ZOMZIBQGIMYHIB-DOTOQJQBSA-N 0 0 307.397 3.210 10 30 DGEERN O=C(N[C@@H]1CC[C@H](F)C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000329483228 295383606 /nfs/dbraw/zinc/38/36/06/295383606.db2.gz WJBYUYOVKKMBSO-XHNCKOQMSA-N 0 0 319.302 3.381 10 30 DGEERN O=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329964500 295384047 /nfs/dbraw/zinc/38/40/47/295384047.db2.gz QORJBWHOVGSTIU-TVFCKZIOSA-N 0 0 314.429 3.005 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H](O)C1CCCCC1 ZINC000328658916 295386973 /nfs/dbraw/zinc/38/69/73/295386973.db2.gz RWVIULPZAPSFRV-GVDBMIGSSA-N 0 0 318.417 3.199 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(CC#Cc1ccccc1)CC2 ZINC000370631173 434616775 /nfs/dbraw/zinc/61/67/75/434616775.db2.gz LWYPUXWHDNHRRX-UHFFFAOYSA-N 0 0 303.405 3.342 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000370712924 434618470 /nfs/dbraw/zinc/61/84/70/434618470.db2.gz ZQGHSCXSUDBVJB-ZWKOTPCHSA-N 0 0 305.393 3.313 10 30 DGEERN C=CCn1c(SC[C@@H](OC)C2CC2)nc2sccc2c1=O ZINC000424099152 434622554 /nfs/dbraw/zinc/62/25/54/434622554.db2.gz MBDWLUGONNQEEY-GFCCVEGCSA-N 0 0 322.455 3.161 10 30 DGEERN C=CCCc1ccccc1N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000409859321 434623917 /nfs/dbraw/zinc/62/39/17/434623917.db2.gz CSOMRTMSSDNRIX-QGZVFWFLSA-N 0 0 324.428 3.065 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(OCC(C)C)c1 ZINC000424108829 434624386 /nfs/dbraw/zinc/62/43/86/434624386.db2.gz SQXCRMNHRDUPAW-YOEHRIQHSA-N 0 0 318.417 3.434 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCCC2(CC2)C1 ZINC000424119462 434627100 /nfs/dbraw/zinc/62/71/00/434627100.db2.gz DQANLFOACJXRPB-ZDUSSCGKSA-N 0 0 304.463 3.413 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCCC2(CC2)C1 ZINC000424119460 434627295 /nfs/dbraw/zinc/62/72/95/434627295.db2.gz DQANLFOACJXRPB-CYBMUJFWSA-N 0 0 304.463 3.413 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000410066909 434632438 /nfs/dbraw/zinc/63/24/38/434632438.db2.gz HFPZUYKCMAXQGQ-VQTJNVASSA-N 0 0 323.436 3.456 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCc2cccc(OC)c2CC1 ZINC000370004089 434606629 /nfs/dbraw/zinc/60/66/29/434606629.db2.gz DCQBTHKVUITOIM-HNNXBMFYSA-N 0 0 302.418 3.160 10 30 DGEERN N#Cc1cc(NC(=O)C2CCC(=O)CC2)ccc1Br ZINC000410972257 434693391 /nfs/dbraw/zinc/69/33/91/434693391.db2.gz UGVDCNYEQLTNAC-UHFFFAOYSA-N 0 0 321.174 3.019 10 30 DGEERN C=CCn1cc(CNC/C(C)=C\c2ccc(Cl)cc2)nn1 ZINC000424174447 434646165 /nfs/dbraw/zinc/64/61/65/434646165.db2.gz RXPYBGQTOFTTIH-LCYFTJDESA-N 0 0 302.809 3.311 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(F)(F)C1 ZINC000424241873 434664090 /nfs/dbraw/zinc/66/40/90/434664090.db2.gz JDUZPSWUAQATNG-LLVKDONJSA-N 0 0 314.405 3.268 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)[C@@H]1CCSC1 ZINC000424247171 434667156 /nfs/dbraw/zinc/66/71/56/434667156.db2.gz NAEKMNRVGKBWEL-CHWSQXEVSA-N 0 0 324.519 3.364 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)C[C@H](C)C#N ZINC000424257791 434668494 /nfs/dbraw/zinc/66/84/94/434668494.db2.gz WMMQPRIYMZILRH-OLZOCXBDSA-N 0 0 305.451 3.018 10 30 DGEERN C=CCn1cc(CN[C@@H]2CCCOc3ccc(Cl)cc32)nn1 ZINC000424290353 434679707 /nfs/dbraw/zinc/67/97/07/434679707.db2.gz BMKLLLGFKOXWDD-OAHLLOKOSA-N 0 0 318.808 3.121 10 30 DGEERN C=CCn1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)nn1 ZINC000424294080 434681858 /nfs/dbraw/zinc/68/18/58/434681858.db2.gz JTKFHAJSXKZGJC-INIZCTEOSA-N 0 0 302.809 3.358 10 30 DGEERN C=CCn1cc(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)nn1 ZINC000424295134 434682552 /nfs/dbraw/zinc/68/25/52/434682552.db2.gz MGZGWAMJWZQHNT-MRXNPFEDSA-N 0 0 306.360 3.229 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CCOCC1 ZINC000424579798 434746844 /nfs/dbraw/zinc/74/68/44/434746844.db2.gz ZHBRKWGFDSYIIA-UHFFFAOYSA-N 0 0 311.385 3.388 10 30 DGEERN C=CCC1(C(=O)Nc2cnc(-c3ccccc3)nc2)CCOCC1 ZINC000424583119 434749090 /nfs/dbraw/zinc/74/90/90/434749090.db2.gz LLPYQENAWRTPDP-UHFFFAOYSA-N 0 0 323.396 3.455 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OC(C)C)nc2)CCOCC1 ZINC000424592869 434751083 /nfs/dbraw/zinc/75/10/83/434751083.db2.gz JNGSEKOAPDBZNA-UHFFFAOYSA-N 0 0 304.390 3.180 10 30 DGEERN C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1CC ZINC000460307084 434752653 /nfs/dbraw/zinc/75/26/53/434752653.db2.gz XIMWSPNHGPKYRQ-UHFFFAOYSA-N 0 0 314.433 3.322 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000452781176 434713867 /nfs/dbraw/zinc/71/38/67/434713867.db2.gz ZPEMFNYEWGQWOU-DOMZBBRYSA-N 0 0 300.402 3.223 10 30 DGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1CCCCCC1 ZINC000452789507 434716540 /nfs/dbraw/zinc/71/65/40/434716540.db2.gz GROFHSXDURWFGF-SFHVURJKSA-N 0 0 322.449 3.335 10 30 DGEERN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(C#N)o1 ZINC000459847640 434729348 /nfs/dbraw/zinc/72/93/48/434729348.db2.gz VAZDGNLCBVYSEJ-UHFFFAOYSA-N 0 0 318.354 3.204 10 30 DGEERN C=CCOCCNC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000371637414 434734128 /nfs/dbraw/zinc/73/41/28/434734128.db2.gz IUPZIXNMSILHCF-OAHLLOKOSA-N 0 0 320.458 3.013 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CCOCC1 ZINC000424552501 434738274 /nfs/dbraw/zinc/73/82/74/434738274.db2.gz BHXNOIJRWBNJAF-CYBMUJFWSA-N 0 0 313.401 3.113 10 30 DGEERN C=CCOCC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440749384 434740137 /nfs/dbraw/zinc/74/01/37/434740137.db2.gz BGNIYGIDMGLBIZ-CQSZACIVSA-N 0 0 319.792 3.082 10 30 DGEERN C=CCCn1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000424560546 434740492 /nfs/dbraw/zinc/74/04/92/434740492.db2.gz BLSWHCQZDXAVDI-LBPRGKRZSA-N 0 0 318.808 3.341 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000354381845 434741369 /nfs/dbraw/zinc/74/13/69/434741369.db2.gz GBBSTMLNWPJILR-DOMZBBRYSA-N 0 0 314.212 3.424 10 30 DGEERN C=CCC1(C(=O)NCc2c(F)cccc2Cl)CCOCC1 ZINC000424570106 434744650 /nfs/dbraw/zinc/74/46/50/434744650.db2.gz LZSQAHYCXMLKKM-UHFFFAOYSA-N 0 0 311.784 3.468 10 30 DGEERN CCN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000460768018 434769850 /nfs/dbraw/zinc/76/98/50/434769850.db2.gz OBCPMHGVTJEKMQ-UYSNPLJNSA-N 0 0 321.465 3.305 10 30 DGEERN C=CCC1(C(=O)NCC2(c3ccc(F)cc3)CC2)CCOCC1 ZINC000424608889 434757943 /nfs/dbraw/zinc/75/79/43/434757943.db2.gz UGOZEPNHPHOZRJ-UHFFFAOYSA-N 0 0 317.404 3.346 10 30 DGEERN C=CCC1(C(=O)N(CCC)CCc2ccccn2)CCOCC1 ZINC000424622614 434761326 /nfs/dbraw/zinc/76/13/26/434761326.db2.gz GQJVYNUCCUYBOG-UHFFFAOYSA-N 0 0 316.445 3.236 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CCOCC1 ZINC000424673264 434776181 /nfs/dbraw/zinc/77/61/81/434776181.db2.gz ZXCSKUDMLKBGHC-OAHLLOKOSA-N 0 0 319.376 3.138 10 30 DGEERN C=CCOCCSCc1nc2sc(C)c(C)c2c(N)n1 ZINC000419366353 434777576 /nfs/dbraw/zinc/77/75/76/434777576.db2.gz VIJRIJRCIUEVPB-UHFFFAOYSA-N 0 0 309.460 3.326 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)Oc2ccccc2F)CCOCC1 ZINC000424679643 434778177 /nfs/dbraw/zinc/77/81/77/434778177.db2.gz BGDPEFKXGCHXLL-CQSZACIVSA-N 0 0 321.392 3.082 10 30 DGEERN C=CCC1(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000424710451 434784324 /nfs/dbraw/zinc/78/43/24/434784324.db2.gz HZFJFQFFXQZYEI-GJZGRUSLSA-N 0 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/nfs/dbraw/zinc/81/68/29/434816829.db2.gz HAZDPJPADRTZBQ-UHFFFAOYSA-N 0 0 303.337 3.013 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccccc3O[C@@H](C)C2)CCOCC1 ZINC000424852856 434817480 /nfs/dbraw/zinc/81/74/80/434817480.db2.gz UKPLBPBWDVODRH-HNNXBMFYSA-N 0 0 315.413 3.169 10 30 DGEERN C=CCCCC[C@@H](C)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000453177205 434824269 /nfs/dbraw/zinc/82/42/69/434824269.db2.gz FJEFVSUQMKKIJQ-OAHLLOKOSA-N 0 0 318.465 3.489 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1CSCC ZINC000424926309 434829261 /nfs/dbraw/zinc/82/92/61/434829261.db2.gz RXPWMDPENGBRRM-BBRMVZONSA-N 0 0 305.443 3.261 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000424925175 434829539 /nfs/dbraw/zinc/82/95/39/434829539.db2.gz NUNQJOYWMUPYIR-HNKHHVNMSA-N 0 0 305.805 3.151 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000424930211 434829648 /nfs/dbraw/zinc/82/96/48/434829648.db2.gz DGSJIWYPTVPWBR-KFGODFMUSA-N 0 0 323.477 3.171 10 30 DGEERN 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COC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1C(F)(F)F ZINC000575381200 435033423 /nfs/dbraw/zinc/03/34/23/435033423.db2.gz WWZZNJKXSQTUND-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN COc1ccc(CC[C@@H](C)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530909560 435059385 /nfs/dbraw/zinc/05/93/85/435059385.db2.gz CIUHCOYZSMIIOP-OAHLLOKOSA-N 0 0 322.408 3.247 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2OC)CC1 ZINC000466058203 435059831 /nfs/dbraw/zinc/05/98/31/435059831.db2.gz ZXCWJOFSIQPXHC-IEBWSBKVSA-N 0 0 314.429 3.333 10 30 DGEERN Cc1cc(C#N)nc(NCc2ccc(C(F)(F)F)cc2C)n1 ZINC000557661356 435061753 /nfs/dbraw/zinc/06/17/53/435061753.db2.gz SJEDYAWAVBWSLR-UHFFFAOYSA-N 0 0 306.291 3.596 10 30 DGEERN CC(C)COc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531384853 435090680 /nfs/dbraw/zinc/09/06/80/435090680.db2.gz TXIDCJYTASUWSK-UHFFFAOYSA-N 0 0 322.408 3.452 10 30 DGEERN C=C[C@@H](CC(=O)N(CC(=O)OCC)C1CCC1)c1ccccc1 ZINC000466266811 435068403 /nfs/dbraw/zinc/06/84/03/435068403.db2.gz COUDKSDWPFISJS-HNNXBMFYSA-N 0 0 315.413 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C=CCn1c(CC(F)(F)F)nnc1N1CCCCC[C@@H]1C ZINC000566219760 435284408 /nfs/dbraw/zinc/28/44/08/435284408.db2.gz GBKGARFTVUIBCH-NSHDSACASA-N 0 0 302.344 3.338 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000566140143 435284568 /nfs/dbraw/zinc/28/45/68/435284568.db2.gz QGLSRCXVBAJDEC-BZSNNMDCSA-N 0 0 314.429 3.418 10 30 DGEERN C=C(C)[C@@H](NC(=O)CN1CC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000566451963 435286454 /nfs/dbraw/zinc/28/64/54/435286454.db2.gz UYFODSBLGXCQSU-MRXNPFEDSA-N 0 0 308.372 3.040 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H](c2ccnn2C)C1 ZINC000567246796 435301729 /nfs/dbraw/zinc/30/17/29/435301729.db2.gz VQDBDBNQEKTWCP-HNNXBMFYSA-N 0 0 304.438 3.056 10 30 DGEERN C=CCCCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000479596725 435342604 /nfs/dbraw/zinc/34/26/04/435342604.db2.gz ZYXZQRKQHBFNFD-OAHLLOKOSA-N 0 0 303.402 3.181 10 30 DGEERN C=C(C)CNC(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000567760729 435353483 /nfs/dbraw/zinc/35/34/83/435353483.db2.gz YVCQUPQTSRQNAW-KGLIPLIRSA-N 0 0 312.417 3.464 10 30 DGEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1cccc(F)c1F ZINC000535042551 435313353 /nfs/dbraw/zinc/31/33/53/435313353.db2.gz KATMXNOJOIPDFS-LLVKDONJSA-N 0 0 300.308 3.256 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1C[C@@H]1C ZINC000481230214 435415648 /nfs/dbraw/zinc/41/56/48/435415648.db2.gz OTRQWLHRXPTDPI-HOCLYGCPSA-N 0 0 304.438 3.208 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC000514950785 435451165 /nfs/dbraw/zinc/45/11/65/435451165.db2.gz QGYVXARDBVJHPW-APWZRJJASA-N 0 0 316.420 3.146 10 30 DGEERN CCC1(CC)[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H](C)[C@@H]1OC ZINC000537805429 435467670 /nfs/dbraw/zinc/46/76/70/435467670.db2.gz ZXKUKZSEWQPMTQ-XWIAVFTESA-N 0 0 314.429 3.057 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483250852 435506543 /nfs/dbraw/zinc/50/65/43/435506543.db2.gz PNNIHOZKVFCIGJ-GOSISDBHSA-N 0 0 320.408 3.091 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000569255646 435518066 /nfs/dbraw/zinc/51/80/66/435518066.db2.gz BTPUSVCSFUDLNU-UHFFFAOYSA-N 0 0 313.405 3.350 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000515453151 435484131 /nfs/dbraw/zinc/48/41/31/435484131.db2.gz YIPOFEOPVGDTGH-KURKYZTESA-N 0 0 314.429 3.228 10 30 DGEERN CC#CCCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000483118049 435496866 /nfs/dbraw/zinc/49/68/66/435496866.db2.gz PQZSQQNMVQWEDD-LLVKDONJSA-N 0 0 313.184 3.140 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483157709 435499612 /nfs/dbraw/zinc/49/96/12/435499612.db2.gz KQBHPUAMXPINEP-QGZVFWFLSA-N 0 0 322.449 3.418 10 30 DGEERN C[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000484544336 435547842 /nfs/dbraw/zinc/54/78/42/435547842.db2.gz LBKXZGCXUFBHLO-OXJNMPFZSA-N 0 0 322.408 3.399 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC000516956878 435565174 /nfs/dbraw/zinc/56/51/74/435565174.db2.gz AYKNCHMVYHEQEG-INIZCTEOSA-N 0 0 310.397 3.005 10 30 DGEERN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1nnc2ccccn21 ZINC000570140577 435592217 /nfs/dbraw/zinc/59/22/17/435592217.db2.gz MFTDOZHZEKKOMO-KRWDZBQOSA-N 0 0 317.396 3.158 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Oc1ccccc1C ZINC000485742771 435577805 /nfs/dbraw/zinc/57/78/05/435577805.db2.gz OXDRVOAUYZJQLW-JFIYKMOQSA-N 0 0 317.429 3.250 10 30 DGEERN CC#CCNc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000540615041 435610204 /nfs/dbraw/zinc/61/02/04/435610204.db2.gz HDQGCOFCVQOHJG-UHFFFAOYSA-N 0 0 302.381 3.429 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000540886062 435622453 /nfs/dbraw/zinc/62/24/53/435622453.db2.gz MMXPOLPQEUBLBD-UHFFFAOYSA-N 0 0 305.746 3.123 10 30 DGEERN COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000540976330 435629559 /nfs/dbraw/zinc/62/95/59/435629559.db2.gz YMQDSGJOQYTIOB-YVEFUNNKSA-N 0 0 314.360 3.090 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCO[C@@H](C2CCCCC2)C1)OCC ZINC000541772218 435645957 /nfs/dbraw/zinc/64/59/57/435645957.db2.gz WFGPATDECYRUAN-IAGOWNOFSA-N 0 0 309.450 3.165 10 30 DGEERN C=CCOc1ccc(CNc2nc3c(cccc3F)n2C)cc1 ZINC000547326938 435649899 /nfs/dbraw/zinc/64/98/99/435649899.db2.gz FEBMKEPQBJJISS-UHFFFAOYSA-N 0 0 311.360 3.889 10 30 DGEERN CN(Cc1cccc(OC(F)(F)F)c1)c1ccncc1C#N ZINC000547835775 435650744 /nfs/dbraw/zinc/65/07/44/435650744.db2.gz PVCDBIOYFSTUBU-UHFFFAOYSA-N 0 0 307.275 3.488 10 30 DGEERN C=CCn1c(S[C@H](C)c2cnc(C)cn2)nnc1C1CC1 ZINC000518869374 435657873 /nfs/dbraw/zinc/65/78/73/435657873.db2.gz OFSJTMYUNZXBDU-LLVKDONJSA-N 0 0 301.419 3.293 10 30 DGEERN C=C(C)CNC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000490459405 435658372 /nfs/dbraw/zinc/65/83/72/435658372.db2.gz HLVBRHPRVSWJIC-UHFFFAOYSA-N 0 0 308.288 3.372 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCOC(C)(C)C ZINC000520202961 435728408 /nfs/dbraw/zinc/72/84/08/435728408.db2.gz RLPYBRWTPVCRLI-UHFFFAOYSA-N 0 0 315.417 3.071 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000519824268 435712836 /nfs/dbraw/zinc/71/28/36/435712836.db2.gz UHWJRXUONSTVRN-ALKREAHSSA-N 0 0 324.424 3.121 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCCC[C@@H]1c1ncon1 ZINC000189637893 301073984 /nfs/dbraw/zinc/07/39/84/301073984.db2.gz GSABAHGCLIFXMY-OAHLLOKOSA-N 0 0 310.357 3.007 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCOC3(C2)CCCCCC3)C1 ZINC000333179397 303156831 /nfs/dbraw/zinc/15/68/31/303156831.db2.gz LKIGDVGATKBVOK-HOTGVXAUSA-N 0 0 319.449 3.204 10 30 DGEERN CC(C)Oc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000530668423 313394542 /nfs/dbraw/zinc/39/45/42/313394542.db2.gz UUKCHYRSXURQGX-UHFFFAOYSA-N 0 0 308.381 3.204 10 30 DGEERN Cc1cnc([C@@H](NC(=O)Cc2cccc(C#N)c2)C2CC2)s1 ZINC000530675560 313395212 /nfs/dbraw/zinc/39/52/12/313395212.db2.gz XNMXLDWWQXTEEJ-INIZCTEOSA-N 0 0 311.410 3.133 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000531148028 313435413 /nfs/dbraw/zinc/43/54/13/313435413.db2.gz GWAREHOQVGOZHD-UHFFFAOYSA-N 0 0 318.298 3.436 10 30 DGEERN Cc1cc(C)cc(C[C@@H](C)NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531391214 313456048 /nfs/dbraw/zinc/45/60/48/313456048.db2.gz XSWUWFKYPLDBFH-MRXNPFEDSA-N 0 0 306.409 3.465 10 30 DGEERN COc1cccc(Cc2noc(Cc3cccc(C#N)c3)n2)c1 ZINC000544978168 314219757 /nfs/dbraw/zinc/21/97/57/314219757.db2.gz NCMIDERTULBJIA-UHFFFAOYSA-N 0 0 305.337 3.131 10 30 DGEERN COc1ccc(CNc2ccncc2C#N)c(OC2CCCC2)c1 ZINC000548153827 314426968 /nfs/dbraw/zinc/42/69/68/314426968.db2.gz YFVCZFMXIRQCCR-UHFFFAOYSA-N 0 0 323.396 3.317 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC(C2CCC2)C1 ZINC000552890482 314626229 /nfs/dbraw/zinc/62/62/29/314626229.db2.gz WICRNMQUWKQPDW-SFHVURJKSA-N 0 0 312.413 3.220 10 30 DGEERN Cc1cc(C#N)nc(N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)n1 ZINC000553164547 314634405 /nfs/dbraw/zinc/63/44/05/314634405.db2.gz VKUMLXWRQWHFFK-IRXDYDNUSA-N 0 0 322.412 3.453 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ncc(-c3ccccn3)s2)c1 ZINC000561023740 314950612 /nfs/dbraw/zinc/95/06/12/314950612.db2.gz NQJXVBOHHWHWPY-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN Cc1ccc2[nH]c([C@@H]3CCCN3c3nc(C)cc(C#N)n3)nc2c1 ZINC000565850569 315291995 /nfs/dbraw/zinc/29/19/95/315291995.db2.gz QWTAYVHIYACZEO-INIZCTEOSA-N 0 0 318.384 3.183 10 30 DGEERN CN(C(=O)c1cn(C)c2ccc(F)cc12)c1cccc(C#N)c1 ZINC000576333750 316119062 /nfs/dbraw/zinc/11/90/62/316119062.db2.gz SEKXUAXERJPFAJ-UHFFFAOYSA-N 0 0 307.328 3.466 10 30 DGEERN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1F ZINC000180017922 323219619 /nfs/dbraw/zinc/21/96/19/323219619.db2.gz BNTVXHRNVFICCR-UHFFFAOYSA-N 0 0 324.764 3.460 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000181113310 323246260 /nfs/dbraw/zinc/24/62/60/323246260.db2.gz ODUJMQQKSQZCBH-UHFFFAOYSA-N 0 0 307.328 3.451 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NCc1nnc(C(C)C)n1C ZINC000195001683 323484479 /nfs/dbraw/zinc/48/44/79/323484479.db2.gz ZLCKAIKQHXPWCX-UHFFFAOYSA-N 0 0 313.405 3.209 10 30 DGEERN N#Cc1ccc(NC(=O)NCCc2ccccc2O)c(Cl)c1 ZINC000579393326 323862832 /nfs/dbraw/zinc/86/28/32/323862832.db2.gz FSAQUKMOXRECLC-UHFFFAOYSA-N 0 0 315.760 3.281 10 30 DGEERN C=CCN(C(=O)[C@@H](C)C(C)C)c1nc(C(=O)OCC)cs1 ZINC000498078975 335093278 /nfs/dbraw/zinc/09/32/78/335093278.db2.gz CJUVZHVOAZQURE-NSHDSACASA-N 0 0 310.419 3.131 10 30 DGEERN N#CC1(C(=O)NCc2nc3ccccc3n2C2CC2)CCCC1 ZINC000186020678 332909816 /nfs/dbraw/zinc/90/98/16/332909816.db2.gz VZQHGNCTXQMHAQ-UHFFFAOYSA-N 0 0 308.385 3.071 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)C ZINC000068885075 331801412 /nfs/dbraw/zinc/80/14/12/331801412.db2.gz QWHWOCXGYXCZAB-UHFFFAOYSA-N 0 0 305.378 3.339 10 30 DGEERN C=CCCCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564465392 332007497 /nfs/dbraw/zinc/00/74/97/332007497.db2.gz MRROVOYCDNCGPC-UHFFFAOYSA-N 0 0 312.316 3.278 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181458397 332195339 /nfs/dbraw/zinc/19/53/39/332195339.db2.gz IHJCRCXWEDDSAP-YOEHRIQHSA-N 0 0 302.418 3.120 10 30 DGEERN C=CCCCCNC(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000292878076 335096916 /nfs/dbraw/zinc/09/69/16/335096916.db2.gz YPPNOLINQWNNPC-UHFFFAOYSA-N 0 0 315.339 3.298 10 30 DGEERN C=CCCCNC(=O)C(=O)N[C@H](c1ccccc1)C(CC)CC ZINC000559889301 332289267 /nfs/dbraw/zinc/28/92/67/332289267.db2.gz QJZPAFSMBAKFEL-KRWDZBQOSA-N 0 0 316.445 3.363 10 30 DGEERN C=CCC(F)(F)c1nc(-c2ccc3c(c2)CCC(=O)N3)no1 ZINC000559959662 332297424 /nfs/dbraw/zinc/29/74/24/332297424.db2.gz FWVOREIETIIILS-UHFFFAOYSA-N 0 0 305.284 3.289 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000185016407 335103447 /nfs/dbraw/zinc/10/34/47/335103447.db2.gz NJVNYHGYSULRCZ-HUUCEWRRSA-N 0 0 312.417 3.389 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000574170544 332328272 /nfs/dbraw/zinc/32/82/72/332328272.db2.gz QOEGYDQDPGJQOF-OAHLLOKOSA-N 0 0 308.466 3.324 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(C2CCC2)CCC1 ZINC000560414000 332337994 /nfs/dbraw/zinc/33/79/94/332337994.db2.gz GCUPHSJALUXNGY-HOCLYGCPSA-N 0 0 306.450 3.237 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000184995534 335104782 /nfs/dbraw/zinc/10/47/82/335104782.db2.gz QHIRWIWQJKMWAV-NSHDSACASA-N 0 0 304.781 3.462 10 30 DGEERN C=C(C)CN(C)C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425584734 335106897 /nfs/dbraw/zinc/10/68/97/335106897.db2.gz OTSIDKSMZNFDLY-AWEZNQCLSA-N 0 0 312.454 3.208 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC000564730244 332546082 /nfs/dbraw/zinc/54/60/82/332546082.db2.gz OBNNNUDWCKCIFP-BDJLRTHQSA-N 0 0 303.333 3.283 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCCO1 ZINC000562759115 332623603 /nfs/dbraw/zinc/62/36/03/332623603.db2.gz CQKPRBYHSWFUGT-INIZCTEOSA-N 0 0 312.417 3.136 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000570290861 332736659 /nfs/dbraw/zinc/73/66/59/332736659.db2.gz AYUDGBGTQXDNPU-UHFFFAOYSA-N 0 0 301.390 3.291 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000188067739 333024211 /nfs/dbraw/zinc/02/42/11/333024211.db2.gz TXWKSBDKNZCDLM-SFHVURJKSA-N 0 0 324.424 3.398 10 30 DGEERN C=CCSCCNC(=O)N1CCc2sc(Cl)cc2C1 ZINC000563037523 333108274 /nfs/dbraw/zinc/10/82/74/333108274.db2.gz FJSYZZLBMRKCTA-UHFFFAOYSA-N 0 0 316.879 3.388 10 30 DGEERN CC(C)=CCC[C@@]1(C)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000188114265 333159877 /nfs/dbraw/zinc/15/98/77/333159877.db2.gz MQVDPIAGOCDIHY-LJQANCHMSA-N 0 0 310.397 3.095 10 30 DGEERN COc1ccc(Br)cc1C(=O)NC1(C#N)CCCC1 ZINC000388096348 333203622 /nfs/dbraw/zinc/20/36/22/333203622.db2.gz YPNBBFGIUIKYNO-UHFFFAOYSA-N 0 0 323.190 3.024 10 30 DGEERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000185703499 333212495 /nfs/dbraw/zinc/21/24/95/333212495.db2.gz AHCSXHJITUWPDB-IAGOWNOFSA-N 0 0 317.433 3.080 10 30 DGEERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185703444 333212508 /nfs/dbraw/zinc/21/25/08/333212508.db2.gz AHCSXHJITUWPDB-IRXDYDNUSA-N 0 0 317.433 3.080 10 30 DGEERN CC#CCCNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000497658002 333274707 /nfs/dbraw/zinc/27/47/07/333274707.db2.gz UQJKENDVZORIIN-UHFFFAOYSA-N 0 0 300.280 3.163 10 30 DGEERN C=CC[C@@H](C(=O)Nc1nnc2cc(C)ccn21)c1ccccc1 ZINC000188518398 333370311 /nfs/dbraw/zinc/37/03/11/333370311.db2.gz YDFDQOZBPIKOIO-OAHLLOKOSA-N 0 0 306.369 3.336 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338137920 333471921 /nfs/dbraw/zinc/47/19/21/333471921.db2.gz DFEDJYDJOYJZJD-QAPCUYQASA-N 0 0 321.392 3.167 10 30 DGEERN C=CCSCCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000540959083 333541437 /nfs/dbraw/zinc/54/14/37/333541437.db2.gz HTPYTRLMTKDCFG-UHFFFAOYSA-N 0 0 321.442 3.291 10 30 DGEERN C#CCC(C)(C)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000185709747 335148363 /nfs/dbraw/zinc/14/83/63/335148363.db2.gz UEXWMPVGQIZXIF-UHFFFAOYSA-N 0 0 315.413 3.308 10 30 DGEERN C=CCCCCCNC(=O)NCc1csc([C@H](C)OC)n1 ZINC000563371740 333598056 /nfs/dbraw/zinc/59/80/56/333598056.db2.gz QJLYXVUKPHPERZ-LBPRGKRZSA-N 0 0 311.451 3.396 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000340141731 334134812 /nfs/dbraw/zinc/13/48/12/334134812.db2.gz JFNBRGRPCQQCEI-SFHVURJKSA-N 0 0 317.429 3.348 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000124660569 334265360 /nfs/dbraw/zinc/26/53/60/334265360.db2.gz CUKFNRGZNDNRER-UHFFFAOYSA-N 0 0 312.369 3.315 10 30 DGEERN CC1(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)COC1 ZINC000112734686 334723969 /nfs/dbraw/zinc/72/39/69/334723969.db2.gz BHOMGWIYNVGTMR-UHFFFAOYSA-N 0 0 320.392 3.244 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000077271780 334923674 /nfs/dbraw/zinc/92/36/74/334923674.db2.gz GHOHBQHHEPARKC-UHFFFAOYSA-N 0 0 305.378 3.084 10 30 DGEERN C=C(C)COc1cccc(NC(=O)Cn2ccc(C(F)F)n2)c1 ZINC000528381373 335646882 /nfs/dbraw/zinc/64/68/82/335646882.db2.gz SGPUTFYIGOWPOT-UHFFFAOYSA-N 0 0 321.327 3.414 10 30 DGEERN C=CC(C)(C)C(=O)Nc1nc2cc(OC)c(OC)cc2s1 ZINC000583605270 335772273 /nfs/dbraw/zinc/77/22/73/335772273.db2.gz NWYXUEOPMCEXDS-UHFFFAOYSA-N 0 0 306.387 3.464 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000352149580 336196869 /nfs/dbraw/zinc/19/68/69/336196869.db2.gz UAFNDEPINIGJQJ-MRXNPFEDSA-N 0 0 320.389 3.139 10 30 DGEERN C=CCCCCCNC(=O)c1nnn(CC2CCCC2)c1C ZINC000582249767 336394429 /nfs/dbraw/zinc/39/44/29/336394429.db2.gz XZXRGHNUSVXAEJ-UHFFFAOYSA-N 0 0 304.438 3.253 10 30 DGEERN C=CCN(C(=O)NCc1nc2ccccc2n1C1CC1)C1CC1 ZINC000354365945 336468317 /nfs/dbraw/zinc/46/83/17/336468317.db2.gz FOMLRYDFGLMUIM-UHFFFAOYSA-N 0 0 310.401 3.231 10 30 DGEERN C=CC[C@@H](C)NC(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000356579957 336555077 /nfs/dbraw/zinc/55/50/77/336555077.db2.gz RAWKZQMTCUWEAP-LLVKDONJSA-N 0 0 309.793 3.392 10 30 DGEERN C=CCN(C(=O)CCC(=O)c1ccc(OC)cc1Cl)C1CC1 ZINC000356781351 336560861 /nfs/dbraw/zinc/56/08/61/336560861.db2.gz NRTHNMDZUQRJEF-UHFFFAOYSA-N 0 0 321.804 3.489 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000356971401 336567885 /nfs/dbraw/zinc/56/78/85/336567885.db2.gz JXVUGIWHEGWIMY-STQMWFEESA-N 0 0 304.340 3.221 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000361872751 336776131 /nfs/dbraw/zinc/77/61/31/336776131.db2.gz JAJCKNXHGNODCU-UHFFFAOYSA-N 0 0 315.373 3.316 10 30 DGEERN N#C[C@@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)CCN1C1CC1 ZINC000373357578 336957471 /nfs/dbraw/zinc/95/74/71/336957471.db2.gz CZRFIHGEYYYDAA-GOSISDBHSA-N 0 0 324.428 3.158 10 30 DGEERN C=CCSCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176282727 337149624 /nfs/dbraw/zinc/14/96/24/337149624.db2.gz FLHLJWADBYXNFE-LBPRGKRZSA-N 0 0 311.476 3.299 10 30 DGEERN C=CCn1c(SC[C@@H](OC)C2CC2)nnc1-c1ccco1 ZINC000582785071 337161203 /nfs/dbraw/zinc/16/12/03/337161203.db2.gz RBBCAWJLEIFVPQ-CYBMUJFWSA-N 0 0 305.403 3.241 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Cn1cnc2c1CCCC2 ZINC000525939830 337288259 /nfs/dbraw/zinc/28/82/59/337288259.db2.gz MEVMIMUEMDIJCC-UHFFFAOYSA-N 0 0 323.440 3.367 10 30 DGEERN N#Cc1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)ccc1F ZINC000584598760 337370641 /nfs/dbraw/zinc/37/06/41/337370641.db2.gz HUQNAROHORAZFW-UHFFFAOYSA-N 0 0 322.343 3.077 10 30 DGEERN COc1cc2c(cc1OC)[C@@H](C#N)N(Cc1ccccc1)CC2 ZINC000584619794 337371083 /nfs/dbraw/zinc/37/10/83/337371083.db2.gz CFUXNJRTKYEOOV-QGZVFWFLSA-N 0 0 308.381 3.327 10 30 DGEERN Cc1c(C(N)=O)[nH]c2c1cc(C#N)cc2-c1ccc(F)c(F)c1 ZINC000584618550 337373247 /nfs/dbraw/zinc/37/32/47/337373247.db2.gz KUFZKXZUYVPWEE-UHFFFAOYSA-N 0 0 311.291 3.392 10 30 DGEERN CC[C@]1(O)C=CC(=O)[C@@H](C(c2ccccc2)c2ccccc2)O1 ZINC000584625722 337375662 /nfs/dbraw/zinc/37/56/62/337375662.db2.gz ROXMWTDRWHSZJL-VQTJNVASSA-N 0 0 308.377 3.441 10 30 DGEERN N#C[C@H]1CCCN(c2nc3ccnc(Br)c3s2)C1 ZINC000584631674 337377050 /nfs/dbraw/zinc/37/70/50/337377050.db2.gz KCZNXJFSZJDPOK-MRVPVSSYSA-N 0 0 323.219 3.194 10 30 DGEERN COC(C(=O)/C=C/C1=C(C)CC[C@H](C)C1(C)C)(N(C)C)N(C)C ZINC000584659237 337378210 /nfs/dbraw/zinc/37/82/10/337378210.db2.gz RSVAWGIPLGDVQP-LHNRBYRGSA-N 0 0 322.493 3.308 10 30 DGEERN N#C[C@@H](c1cccc(Br)c1)[C@H](CCO)c1cnco1 ZINC000584638515 337379702 /nfs/dbraw/zinc/37/97/02/337379702.db2.gz GTJIGMMNMWTUEQ-STQMWFEESA-N 0 0 321.174 3.210 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000076973340 337574656 /nfs/dbraw/zinc/57/46/56/337574656.db2.gz WUOBDKNWQWEIDV-CQSZACIVSA-N 0 0 323.387 3.151 10 30 DGEERN CCC(C)(C)NC(=O)CNc1cccc(OCCCC#N)c1 ZINC000079180224 337615681 /nfs/dbraw/zinc/61/56/81/337615681.db2.gz GYBXNBTZPZVYEI-UHFFFAOYSA-N 0 0 303.406 3.086 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000277585243 337666275 /nfs/dbraw/zinc/66/62/75/337666275.db2.gz ZDJWCTFWVMUFKE-UHFFFAOYSA-N 0 0 323.371 3.230 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000527901784 337772940 /nfs/dbraw/zinc/77/29/40/337772940.db2.gz LUSFBRTWXHYLIH-NSHDSACASA-N 0 0 315.339 3.204 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528285474 337799721 /nfs/dbraw/zinc/79/97/21/337799721.db2.gz ZHCMHXLKHCGCEY-DFGXFYAUSA-N 0 0 316.445 3.239 10 30 DGEERN N#C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C1CC1 ZINC000108838456 337841593 /nfs/dbraw/zinc/84/15/93/337841593.db2.gz YZMHUAPAINVNIW-GOSISDBHSA-N 0 0 312.413 3.359 10 30 DGEERN C=CCCCCCNC(=O)NCc1noc(-c2cccs2)n1 ZINC000516311433 338009641 /nfs/dbraw/zinc/00/96/41/338009641.db2.gz XTVGSESZZFUKNX-UHFFFAOYSA-N 0 0 320.418 3.344 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000575002237 338532754 /nfs/dbraw/zinc/53/27/54/338532754.db2.gz APHYNLCWPLTYOI-QGZVFWFLSA-N 0 0 314.429 3.117 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000505017289 340158887 /nfs/dbraw/zinc/15/88/87/340158887.db2.gz UBJYJCQPQAMIMB-QGZVFWFLSA-N 0 0 300.402 3.448 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000505035629 340159528 /nfs/dbraw/zinc/15/95/28/340159528.db2.gz OFMOEHCOOIJWQQ-DOTOQJQBSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H](C)C[C@H]1C ZINC000505647068 340174233 /nfs/dbraw/zinc/17/42/33/340174233.db2.gz KHTSGHYPZWGHOZ-ZIAGYGMSSA-N 0 0 300.402 3.001 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000505673004 340174836 /nfs/dbraw/zinc/17/48/36/340174836.db2.gz LLGRPTTZCONPFJ-HOCLYGCPSA-N 0 0 314.429 3.439 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC1(C)C ZINC000505678763 340174866 /nfs/dbraw/zinc/17/48/66/340174866.db2.gz TWCWODPGXUUGLQ-INIZCTEOSA-N 0 0 314.429 3.439 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000505803522 340178489 /nfs/dbraw/zinc/17/84/89/340178489.db2.gz WFVYSXKGXXUNJW-HOCLYGCPSA-N 0 0 314.429 3.439 10 30 DGEERN CC#CCCNC(=O)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000507374087 340218222 /nfs/dbraw/zinc/21/82/22/340218222.db2.gz XVGKWMBWLQDMPM-KRWDZBQOSA-N 0 0 306.356 3.128 10 30 DGEERN C=CCn1c(CC)nnc1N1CCC[C@H]1Cc1cccc(F)c1 ZINC000516604834 340220465 /nfs/dbraw/zinc/22/04/65/340220465.db2.gz HDDWXZCBMUMFJQ-INIZCTEOSA-N 0 0 314.408 3.377 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000508467977 340244142 /nfs/dbraw/zinc/24/41/42/340244142.db2.gz ZXZQTBHTYVZBPS-ZFWWWQNUSA-N 0 0 311.433 3.317 10 30 DGEERN C=CC1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C)CC1 ZINC000508522116 340245655 /nfs/dbraw/zinc/24/56/55/340245655.db2.gz QSPVDUFUIMSXOD-UHFFFAOYSA-N 0 0 300.381 3.332 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2cccnc2OC(C)C)no1)OCC ZINC000508607581 340248011 /nfs/dbraw/zinc/24/80/11/340248011.db2.gz AQPPIHUYDXXXQQ-AWEZNQCLSA-N 0 0 317.389 3.443 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](CC)C1 ZINC000508817115 340253657 /nfs/dbraw/zinc/25/36/57/340253657.db2.gz MKCPJGIHVVTPFA-OAHLLOKOSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000508826401 340253766 /nfs/dbraw/zinc/25/37/66/340253766.db2.gz IPNHFDYGUVOYDK-OKILXGFUSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CCCC ZINC000508878813 340254983 /nfs/dbraw/zinc/25/49/83/340254983.db2.gz BPWCMKJMRDHMJP-MRXNPFEDSA-N 0 0 312.417 3.377 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@](C)(CC)C1 ZINC000508892317 340255277 /nfs/dbraw/zinc/25/52/77/340255277.db2.gz CKHIQQKQTNXWGU-KRWDZBQOSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N(C)CCCOC ZINC000508895701 340255405 /nfs/dbraw/zinc/25/54/05/340255405.db2.gz PSKDHKDZOQGIIM-UHFFFAOYSA-N 0 0 320.481 3.450 10 30 DGEERN C=CCNC(=O)[C@H](C)Nc1cc(Cc2ccccn2)ccc1C ZINC000508989140 340257217 /nfs/dbraw/zinc/25/72/17/340257217.db2.gz ZLRWNRIZHZROGI-HNNXBMFYSA-N 0 0 309.413 3.083 10 30 DGEERN C=CCCCCCN(C)c1cnn(Cc2ccccc2)c(=O)c1 ZINC000511806986 340338744 /nfs/dbraw/zinc/33/87/44/340338744.db2.gz LCWGXMALOVDXBT-UHFFFAOYSA-N 0 0 311.429 3.474 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccnc2)cc1 ZINC000173780912 340373823 /nfs/dbraw/zinc/37/38/23/340373823.db2.gz JPRGHRFDZMTEMK-ZDUSSCGKSA-N 0 0 324.384 3.131 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(CC)CC1CC1 ZINC000517565386 340472468 /nfs/dbraw/zinc/47/24/68/340472468.db2.gz ALAXOGPXEIQMBC-UHFFFAOYSA-N 0 0 303.435 3.132 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1(C(=O)NCCCC)CCCCC1 ZINC000185614783 340503591 /nfs/dbraw/zinc/50/35/91/340503591.db2.gz MTFQPLQXRPZOGF-OAHLLOKOSA-N 0 0 308.466 3.324 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000190591154 340546015 /nfs/dbraw/zinc/54/60/15/340546015.db2.gz KRXGHTHYPSLLPJ-KRWDZBQOSA-N 0 0 314.385 3.213 10 30 DGEERN CC(C)(NCC#Cc1ccccc1)C(=O)NCC1CCCCC1 ZINC000192141365 340562932 /nfs/dbraw/zinc/56/29/32/340562932.db2.gz XLOCSVCDLLQTED-UHFFFAOYSA-N 0 0 312.457 3.103 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@@]1(C)Br ZINC000528525650 340723003 /nfs/dbraw/zinc/72/30/03/340723003.db2.gz VNBVLDIMXRDVDL-SWLSCSKDSA-N 0 0 324.218 3.041 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H]1C[C@@]1(C)Br ZINC000528525647 340723094 /nfs/dbraw/zinc/72/30/94/340723094.db2.gz VNBVLDIMXRDVDL-IUODEOHRSA-N 0 0 324.218 3.041 10 30 DGEERN C=CCCS(=O)(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528551157 340723850 /nfs/dbraw/zinc/72/38/50/340723850.db2.gz GYEITCAUZSQVMR-OAHLLOKOSA-N 0 0 311.422 3.300 10 30 DGEERN C=CCOCC(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529822429 340770306 /nfs/dbraw/zinc/77/03/06/340770306.db2.gz TZXBDIUSVRDBJH-UHFFFAOYSA-N 0 0 322.202 3.030 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1scnc1C ZINC000062897654 340796499 /nfs/dbraw/zinc/79/64/99/340796499.db2.gz LOAVGXCPJJFQSG-UHFFFAOYSA-N 0 0 317.370 3.188 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](CC)SC ZINC000128002776 340859205 /nfs/dbraw/zinc/85/92/05/340859205.db2.gz JFMDYSUTURFGKW-AWEZNQCLSA-N 0 0 308.403 3.251 10 30 DGEERN C=CCOc1ccc(CNc2ccc(C(=O)OCC)nc2)cc1 ZINC000541824717 340984982 /nfs/dbraw/zinc/98/49/82/340984982.db2.gz FXMRAJYXJOHLGE-UHFFFAOYSA-N 0 0 312.369 3.435 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OC)c1O ZINC000130202252 341006326 /nfs/dbraw/zinc/00/63/26/341006326.db2.gz PKQMTPJBCGHAAI-UHFFFAOYSA-N 0 0 322.364 3.101 10 30 DGEERN C=CCN(CC=C)C(=O)CSCCc1cccc(F)c1F ZINC000544084355 341069838 /nfs/dbraw/zinc/06/98/38/341069838.db2.gz GGRMSOFLFYSOHH-UHFFFAOYSA-N 0 0 311.397 3.441 10 30 DGEERN C=CCOc1ccc(C(=O)N(CC)CCc2nccs2)cc1 ZINC000131312109 341075482 /nfs/dbraw/zinc/07/54/82/341075482.db2.gz PVJCVTDJUAOOKI-UHFFFAOYSA-N 0 0 316.426 3.413 10 30 DGEERN CC#CCCNC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000544580668 341087107 /nfs/dbraw/zinc/08/71/07/341087107.db2.gz DIJSWSKEQOMIOD-UHFFFAOYSA-N 0 0 319.364 3.341 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1oc(C)nc1C ZINC000073118954 341113183 /nfs/dbraw/zinc/11/31/83/341113183.db2.gz ZZCJXMGZXASVST-UHFFFAOYSA-N 0 0 315.329 3.028 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545321239 341121335 /nfs/dbraw/zinc/12/13/35/341121335.db2.gz DCLCGIXMJBRLAY-HNNXBMFYSA-N 0 0 324.465 3.496 10 30 DGEERN C=CCN(C(=O)c1cc2c(cc1OC)OCO2)c1ccccc1 ZINC000546066625 341153283 /nfs/dbraw/zinc/15/32/83/341153283.db2.gz PCNBONAEYKPESW-UHFFFAOYSA-N 0 0 311.337 3.257 10 30 DGEERN N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C1CC1 ZINC000133248224 341166198 /nfs/dbraw/zinc/16/61/98/341166198.db2.gz QMLCCBWINJLWCL-AVGNSLFASA-N 0 0 324.302 3.107 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)SC ZINC000134122074 341207001 /nfs/dbraw/zinc/20/70/01/341207001.db2.gz SDZSNTWKGQGWJI-LBPRGKRZSA-N 0 0 323.418 3.044 10 30 DGEERN C=CC[C@H](C)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000134350618 341213674 /nfs/dbraw/zinc/21/36/74/341213674.db2.gz KOFBYYCTRWEDLW-LBPRGKRZSA-N 0 0 309.356 3.094 10 30 DGEERN C=C(C)COCCNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000135004708 341228487 /nfs/dbraw/zinc/22/84/87/341228487.db2.gz ZAZIRMUEPHHTTL-MRXNPFEDSA-N 0 0 304.434 3.160 10 30 DGEERN CC(C)(C)[C@H](NC(=O)N1CCC(C)(C#N)CC1)C(F)(F)F ZINC000548511293 341265119 /nfs/dbraw/zinc/26/51/19/341265119.db2.gz MVJUCVHKGLHVOU-JTQLQIEISA-N 0 0 305.344 3.299 10 30 DGEERN CCCCc1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC000549124422 341286417 /nfs/dbraw/zinc/28/64/17/341286417.db2.gz CARKUCVWUKFDLZ-UHFFFAOYSA-N 0 0 323.444 3.409 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)C1 ZINC000248950508 341390623 /nfs/dbraw/zinc/39/06/23/341390623.db2.gz ZTTWQRAHXJBILK-XQQFMLRXSA-N 0 0 324.421 3.161 10 30 DGEERN C=CCN(CCOC)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000554942856 341469997 /nfs/dbraw/zinc/46/99/97/341469997.db2.gz LOWLXAUZCPLLNK-HNNXBMFYSA-N 0 0 317.429 3.290 10 30 DGEERN C=CCCCCCNC(=O)Cn1nc(C(F)(F)F)cc1C ZINC000565167586 341519106 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C=C(C)C[C@H](C)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000185790753 526706558 /nfs/dbraw/zinc/70/65/58/526706558.db2.gz FGLJAXFELLGCGU-RDJZCZTQSA-N 0 0 309.450 3.165 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000341453585 526710715 /nfs/dbraw/zinc/71/07/15/526710715.db2.gz ADTZEZVHLOISLR-AWEZNQCLSA-N 0 0 303.402 3.109 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCOCc1ccc(OC)cc1 ZINC000185431868 526710933 /nfs/dbraw/zinc/71/09/33/526710933.db2.gz GVGHIDGZZOCRKF-HNNXBMFYSA-N 0 0 305.418 3.320 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC ZINC000185784325 526713432 /nfs/dbraw/zinc/71/34/32/526713432.db2.gz QLSRJEODTUAAFU-ZDUSSCGKSA-N 0 0 318.417 3.328 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000341538864 526714523 /nfs/dbraw/zinc/71/45/23/526714523.db2.gz YFPDLLYZEZIJKV-LBPRGKRZSA-N 0 0 315.373 3.498 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000185891178 526714967 /nfs/dbraw/zinc/71/49/67/526714967.db2.gz ZDYISZAWANVQAW-ZDUSSCGKSA-N 0 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ZINC000339487627 526815786 /nfs/dbraw/zinc/81/57/86/526815786.db2.gz MKRCTSJXIIEGMZ-UNEWFSDZSA-N 0 0 303.402 3.039 10 30 DGEERN C=CCO[C@H]1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000302147395 526820180 /nfs/dbraw/zinc/82/01/80/526820180.db2.gz LEBDSBOIDRKPGW-AWEZNQCLSA-N 0 0 314.389 3.036 10 30 DGEERN C=CCOc1ccc(-c2nc([C@H]3CCOC[C@@H]3C)no2)cc1 ZINC000442670356 526831243 /nfs/dbraw/zinc/83/12/43/526831243.db2.gz FBPOZQPZDCPOCX-WFASDCNBSA-N 0 0 300.358 3.441 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(SC)cc1 ZINC000437635891 526847534 /nfs/dbraw/zinc/84/75/34/526847534.db2.gz QSWBCNJGNOXNPL-GOEBONIOSA-N 0 0 320.458 3.189 10 30 DGEERN C=C(CC)CNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411596111 526856127 /nfs/dbraw/zinc/85/61/27/526856127.db2.gz ZKCULEFIFNIKAO-UHFFFAOYSA-N 0 0 323.462 3.024 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000448798295 526860901 /nfs/dbraw/zinc/86/09/01/526860901.db2.gz SHLSIZGJROHJNP-OALUTQOASA-N 0 0 307.393 3.466 10 30 DGEERN C=C(CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000345742372 526879225 /nfs/dbraw/zinc/87/92/25/526879225.db2.gz BDXOPJJPTHBHLQ-UHFFFAOYSA-N 0 0 302.355 3.408 10 30 DGEERN C=C(CNC(=O)c1cccc2c1CC(=O)CC2)c1ccccc1 ZINC000356482241 526880567 /nfs/dbraw/zinc/88/05/67/526880567.db2.gz PRDUFVIYCUISRX-UHFFFAOYSA-N 0 0 305.377 3.188 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H](C)c2ncccc2F)cc1 ZINC000359092213 526881848 /nfs/dbraw/zinc/88/18/48/526881848.db2.gz FLZASLRMEUAUOZ-ZDUSSCGKSA-N 0 0 314.360 3.205 10 30 DGEERN C=CCOc1ccc(CNc2cccnc2-n2cccn2)cc1 ZINC000336865081 526892641 /nfs/dbraw/zinc/89/26/41/526892641.db2.gz JFLNAAIPHORUHS-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN C=CCOc1ccc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1 ZINC000414187307 526894376 /nfs/dbraw/zinc/89/43/76/526894376.db2.gz IHLPICORENSMPN-GOSISDBHSA-N 0 0 320.392 3.419 10 30 DGEERN C=C1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 ZINC000354125537 526899780 /nfs/dbraw/zinc/89/97/80/526899780.db2.gz DYCOEJJFHLQKIW-UHFFFAOYSA-N 0 0 309.413 3.340 10 30 DGEERN C=CCOc1cccc(NC(=O)NCCCc2nccs2)c1 ZINC000289416581 526914986 /nfs/dbraw/zinc/91/49/86/526914986.db2.gz AVKUNVTZDWQANK-UHFFFAOYSA-N 0 0 317.414 3.462 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172474377 526916428 /nfs/dbraw/zinc/91/64/28/526916428.db2.gz JKXMVZZCUCNDOW-MSOLQXFVSA-N 0 0 324.380 3.031 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@H](OC)c2ccc(O)cc2)c1 ZINC000361602448 526918068 /nfs/dbraw/zinc/91/80/68/526918068.db2.gz RHGDSOWSLXTQNN-QGZVFWFLSA-N 0 0 313.353 3.283 10 30 DGEERN C=CCOc1ccccc1CN1CCN(c2cnccc2C)CC1 ZINC000343639675 526933966 /nfs/dbraw/zinc/93/39/66/526933966.db2.gz OITUFBLRVAUYGN-UHFFFAOYSA-N 0 0 323.440 3.277 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(F)c(NC(N)=O)c1 ZINC000353740354 526951906 /nfs/dbraw/zinc/95/19/06/526951906.db2.gz OVMYSWPHEPVHCQ-UHFFFAOYSA-N 0 0 315.348 3.493 10 30 DGEERN C=CCOc1ccccc1CNc1ccc2[nH]c(=O)n(C)c2c1 ZINC000442961878 526952715 /nfs/dbraw/zinc/95/27/15/526952715.db2.gz CYZWQPUCUCAXNV-UHFFFAOYSA-N 0 0 309.369 3.456 10 30 DGEERN C=CCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000433113160 526992364 /nfs/dbraw/zinc/99/23/64/526992364.db2.gz KQHAZQMQEDHTAX-MRXNPFEDSA-N 0 0 317.429 3.127 10 30 DGEERN C=CCSCCNC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191256034 526996803 /nfs/dbraw/zinc/99/68/03/526996803.db2.gz QCPOLLHQCGUFGC-UHFFFAOYSA-N 0 0 316.430 3.221 10 30 DGEERN C=CCSCCNC(=O)c1ccccc1N1CCCCC1 ZINC000351588189 527002173 /nfs/dbraw/zinc/00/21/73/527002173.db2.gz FETLPUIARQBQOW-UHFFFAOYSA-N 0 0 304.459 3.326 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC2(C1)CCCOC2 ZINC000360673149 527008830 /nfs/dbraw/zinc/00/88/30/527008830.db2.gz OTDFZODKEAAEBQ-UHFFFAOYSA-N 0 0 303.427 3.217 10 30 DGEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000348875550 527019066 /nfs/dbraw/zinc/01/90/66/527019066.db2.gz KVYAXXGESIXKNF-MRVPVSSYSA-N 0 0 316.735 3.297 10 30 DGEERN C=CCC(C)(C)c1nc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000426616385 527019827 /nfs/dbraw/zinc/01/98/27/527019827.db2.gz VFEFBYMGJLJZMN-UHFFFAOYSA-N 0 0 313.401 3.124 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000412959500 527031374 /nfs/dbraw/zinc/03/13/74/527031374.db2.gz ZSJFCGPNAGIHBH-MRXNPFEDSA-N 0 0 302.393 3.289 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433966121 527031945 /nfs/dbraw/zinc/03/19/45/527031945.db2.gz GMORAJJSZYZBJD-UHFFFAOYSA-N 0 0 316.401 3.280 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000412959496 527032792 /nfs/dbraw/zinc/03/27/92/527032792.db2.gz ZSJFCGPNAGIHBH-INIZCTEOSA-N 0 0 302.393 3.289 10 30 DGEERN C=CCC(F)(F)C(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000293043680 527035118 /nfs/dbraw/zinc/03/51/18/527035118.db2.gz QYHJNDORFBGNLR-AWEZNQCLSA-N 0 0 309.356 3.440 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccccc2N(C)C)CCOCC1 ZINC000424819861 527038421 /nfs/dbraw/zinc/03/84/21/527038421.db2.gz BBYQUMBYZCTZSF-UHFFFAOYSA-N 0 0 316.445 3.084 10 30 DGEERN C=CCC1(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)CCOCC1 ZINC000424611180 527040217 /nfs/dbraw/zinc/04/02/17/527040217.db2.gz CVHLFXGDTAZIMF-RYTJFDOTSA-N 0 0 303.446 3.396 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@]3(CCSC3)C2)CCOCC1 ZINC000424869372 527043230 /nfs/dbraw/zinc/04/32/30/527043230.db2.gz WBUILBMPSWLTSP-INIZCTEOSA-N 0 0 309.475 3.105 10 30 DGEERN C=CCC1(C(=O)N2CCSC(CC)(CC)C2)CCOCC1 ZINC000424771368 527046373 /nfs/dbraw/zinc/04/63/73/527046373.db2.gz CNEAVVGXZUGBLL-UHFFFAOYSA-N 0 0 311.491 3.494 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000356876383 527047569 /nfs/dbraw/zinc/04/75/69/527047569.db2.gz RHLMSSOYCPOUAJ-HIFRSBDPSA-N 0 0 315.421 3.080 10 30 DGEERN C=CCC1(C(=O)NCc2cn3cc(Cl)ccc3n2)CCC1 ZINC000358376495 527057135 /nfs/dbraw/zinc/05/71/35/527057135.db2.gz IDCBKKCNASMEDP-UHFFFAOYSA-N 0 0 303.793 3.350 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CCOCC1 ZINC000425629085 527059086 /nfs/dbraw/zinc/05/90/86/527059086.db2.gz WOAWTTOSORQOLC-UHFFFAOYSA-N 0 0 321.380 3.418 10 30 DGEERN C=CCC1(C(=O)Nc2cc(F)ccc2C(C)=O)CCOCC1 ZINC000425556751 527060752 /nfs/dbraw/zinc/06/07/52/527060752.db2.gz AKAYCKMTADIKIN-UHFFFAOYSA-N 0 0 305.349 3.340 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(CO)c(Cl)c2)CCOCC1 ZINC000424792521 527060828 /nfs/dbraw/zinc/06/08/28/527060828.db2.gz ZBLJSCOATFOEQG-UHFFFAOYSA-N 0 0 309.793 3.144 10 30 DGEERN C=CCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181343509 527069740 /nfs/dbraw/zinc/06/97/40/527069740.db2.gz BZQSPXUOTZRSPN-OAHLLOKOSA-N 0 0 310.401 3.144 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000432128462 527091668 /nfs/dbraw/zinc/09/16/68/527091668.db2.gz YBEMGLYQERBOJA-SFHVURJKSA-N 0 0 316.445 3.471 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000183314871 527093919 /nfs/dbraw/zinc/09/39/19/527093919.db2.gz ZCYUENLRTVXQDF-OCCSQVGLSA-N 0 0 308.447 3.096 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186329625 527094505 /nfs/dbraw/zinc/09/45/05/527094505.db2.gz RIPXOGJRKIXVFC-JTQLQIEISA-N 0 0 322.714 3.417 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000185791238 527100528 /nfs/dbraw/zinc/10/05/28/527100528.db2.gz GFBJNKXZZOGTPK-LBPRGKRZSA-N 0 0 322.817 3.130 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185558923 527110146 /nfs/dbraw/zinc/11/01/46/527110146.db2.gz UVMVDWAYLVONST-QGZVFWFLSA-N 0 0 318.392 3.092 10 30 DGEERN C=CC[C@@H]1N(C(=O)NC[C@@H]2CCO[C@H]2C=C)CCCC1(C)C ZINC000425855367 527117020 /nfs/dbraw/zinc/11/70/20/527117020.db2.gz MAOWURZILYAGPB-JYJNAYRXSA-N 0 0 306.450 3.354 10 30 DGEERN C=CCCCCCN(C)C(=O)NCCc1cccc(OC)n1 ZINC000441468455 527123553 /nfs/dbraw/zinc/12/35/53/527123553.db2.gz WKXJSUVMIIMLJJ-UHFFFAOYSA-N 0 0 305.422 3.021 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000133259793 527124801 /nfs/dbraw/zinc/12/48/01/527124801.db2.gz GTOZKVNNBOOAOV-AWEZNQCLSA-N 0 0 319.453 3.063 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000341442264 527155457 /nfs/dbraw/zinc/15/54/57/527155457.db2.gz QVXOINMAMUHYOE-INIZCTEOSA-N 0 0 312.417 3.335 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000337086829 527161767 /nfs/dbraw/zinc/16/17/67/527161767.db2.gz FMADEUFSPJFMAJ-LBPRGKRZSA-N 0 0 302.374 3.270 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)N[C@H](C(=O)OC)c1ccsc1 ZINC000285241576 527162360 /nfs/dbraw/zinc/16/23/60/527162360.db2.gz WBTVQDFQISYYDV-IRXDYDNUSA-N 0 0 313.422 3.186 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000297391299 527172386 /nfs/dbraw/zinc/17/23/86/527172386.db2.gz APNAMRSFVOECGF-UHFFFAOYSA-N 0 0 324.424 3.223 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000287581370 527174043 /nfs/dbraw/zinc/17/40/43/527174043.db2.gz XNTGKWFYFSOEEF-IEBWSBKVSA-N 0 0 319.404 3.304 10 30 DGEERN C=CCCCN(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155786403 527182751 /nfs/dbraw/zinc/18/27/51/527182751.db2.gz FYIHHTAYOZYARO-UHFFFAOYSA-N 0 0 307.463 3.325 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000151400508 527186321 /nfs/dbraw/zinc/18/63/21/527186321.db2.gz INCGCGXSEBGVQG-ZDUSSCGKSA-N 0 0 323.387 3.151 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000076940061 527186692 /nfs/dbraw/zinc/18/66/92/527186692.db2.gz WAZXSWYXWJZQQL-CYBMUJFWSA-N 0 0 306.406 3.372 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000119877739 527187158 /nfs/dbraw/zinc/18/71/58/527187158.db2.gz NLZNWYASQWJQFU-AWEZNQCLSA-N 0 0 304.390 3.284 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344607915 527187616 /nfs/dbraw/zinc/18/76/16/527187616.db2.gz VQTPRROXOVZSNY-UHFFFAOYSA-N 0 0 315.373 3.384 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000076937143 527187833 /nfs/dbraw/zinc/18/78/33/527187833.db2.gz JDINFDUNGQUYDF-UHFFFAOYSA-N 0 0 313.405 3.314 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000346801751 527187872 /nfs/dbraw/zinc/18/78/72/527187872.db2.gz YRUYOIWTVXTNIW-MRXNPFEDSA-N 0 0 314.429 3.027 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000076853991 527194584 /nfs/dbraw/zinc/19/45/84/527194584.db2.gz OTGXHKYWSKVESB-UHFFFAOYSA-N 0 0 320.414 3.237 10 30 DGEERN C=CCCCN(C)c1nc(C)nc2sc(C(=O)OC)c(C)c21 ZINC000347040516 527195855 /nfs/dbraw/zinc/19/58/55/527195855.db2.gz REMMFNYMGKFZSW-UHFFFAOYSA-N 0 0 319.430 3.497 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000440995811 527200269 /nfs/dbraw/zinc/20/02/69/527200269.db2.gz ADDMQPLBLCZNRC-WBVHZDCISA-N 0 0 316.445 3.326 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000185541627 527200444 /nfs/dbraw/zinc/20/04/44/527200444.db2.gz NEZYRZFNFZBEIA-HUUCEWRRSA-N 0 0 308.397 3.149 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(SC)c(Cl)c1 ZINC000186359669 527202982 /nfs/dbraw/zinc/20/29/82/527202982.db2.gz AXKUCTVSBZPQBZ-SNVBAGLBSA-N 0 0 300.811 3.120 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000337080910 527203930 /nfs/dbraw/zinc/20/39/30/527203930.db2.gz VWROEUFCDFNTIC-GDBMZVCRSA-N 0 0 305.418 3.021 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000252952338 527205776 /nfs/dbraw/zinc/20/57/76/527205776.db2.gz NLEUADNJGIYDTE-HZSPNIEDSA-N 0 0 314.212 3.150 10 30 DGEERN C=CC[C@H](CO)Nc1ccc2cccc(Br)c2n1 ZINC000302145720 527212602 /nfs/dbraw/zinc/21/26/02/527212602.db2.gz RAJQSVIJHKRWCE-LLVKDONJSA-N 0 0 307.191 3.346 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000413842978 527216113 /nfs/dbraw/zinc/21/61/13/527216113.db2.gz YYYIYIAFAVPHGZ-JQHSSLGASA-N 0 0 316.445 3.240 10 30 DGEERN C=CCCCNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000344465252 527224003 /nfs/dbraw/zinc/22/40/03/527224003.db2.gz YVONQUZBKNCQMF-KRWDZBQOSA-N 0 0 303.402 3.006 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ncnn1CC(C)C ZINC000180007765 527246737 /nfs/dbraw/zinc/24/67/37/527246737.db2.gz STPAFLZCVMSYOC-UHFFFAOYSA-N 0 0 316.361 3.150 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)C=C ZINC000355229862 527257313 /nfs/dbraw/zinc/25/73/13/527257313.db2.gz YNIXZFOEBNHXOY-CYBMUJFWSA-N 0 0 300.402 3.168 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000179795534 527259962 /nfs/dbraw/zinc/25/99/62/527259962.db2.gz HMMXPYLIMOVWPH-IUODEOHRSA-N 0 0 318.442 3.351 10 30 DGEERN C=CCn1c(-c2ccccn2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000350623303 527274922 /nfs/dbraw/zinc/27/49/22/527274922.db2.gz NCRGYZMHYOTEKH-AWEZNQCLSA-N 0 0 309.417 3.295 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)C1Cc2ccccc2C1 ZINC000351075105 527278643 /nfs/dbraw/zinc/27/86/43/527278643.db2.gz NSVCPFIESLRKIB-UHFFFAOYSA-N 0 0 320.396 3.328 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccc(F)c1 ZINC000337868528 527278774 /nfs/dbraw/zinc/27/87/74/527278774.db2.gz SIWLPSZPYCIOLN-UHFFFAOYSA-N 0 0 312.348 3.500 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@H](CC)C1 ZINC000337862399 527280934 /nfs/dbraw/zinc/28/09/34/527280934.db2.gz NVLLTHSDMMWWSF-CYBMUJFWSA-N 0 0 304.419 3.056 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000337910994 527300094 /nfs/dbraw/zinc/30/00/94/527300094.db2.gz PWQGNQNWLLQDQI-NSHDSACASA-N 0 0 302.344 3.187 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000337870610 527313490 /nfs/dbraw/zinc/31/34/90/527313490.db2.gz URPWJMSXKKKXSL-LBPRGKRZSA-N 0 0 314.355 3.195 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000350742409 527315916 /nfs/dbraw/zinc/31/59/16/527315916.db2.gz WABXTFBJKKLTSV-OAHLLOKOSA-N 0 0 318.465 3.058 10 30 DGEERN C=CCCN(C)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000344282451 527317577 /nfs/dbraw/zinc/31/75/77/527317577.db2.gz GKPAKGLMVQXFRD-UHFFFAOYSA-N 0 0 324.380 3.226 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC(C)(C)C[C@@H]1C ZINC000414523267 527319852 /nfs/dbraw/zinc/31/98/52/527319852.db2.gz DXTJNPAKAPGIAS-AWEZNQCLSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC000337814323 527321118 /nfs/dbraw/zinc/32/11/18/527321118.db2.gz NDARIIVUWBFUCP-GASCZTMLSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CC(C)(C)C[C@H]1C ZINC000414518437 527327127 /nfs/dbraw/zinc/32/71/27/527327127.db2.gz SCYBTEWUXXZTQL-CQSZACIVSA-N 0 0 311.433 3.075 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CCCCC[C@H]1C ZINC000351161525 527328064 /nfs/dbraw/zinc/32/80/64/527328064.db2.gz GSRWLSBKJLZMOT-OAHLLOKOSA-N 0 0 311.433 3.219 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000342947917 527329970 /nfs/dbraw/zinc/32/99/70/527329970.db2.gz UDWMTONVODPKPS-DLBZAZTESA-N 0 0 309.450 3.025 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N(C)CCc1ncc(C)s1 ZINC000282602883 527348356 /nfs/dbraw/zinc/34/83/56/527348356.db2.gz MSVBHSORWWGMLP-LBPRGKRZSA-N 0 0 319.478 3.421 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000093140414 527356958 /nfs/dbraw/zinc/35/69/58/527356958.db2.gz LCUQUHNGHVQWQC-JTQLQIEISA-N 0 0 302.827 3.354 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181494229 527359598 /nfs/dbraw/zinc/35/95/98/527359598.db2.gz OWOMXLXHDLULLJ-WMLDXEAASA-N 0 0 302.418 3.120 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000337613666 527370291 /nfs/dbraw/zinc/37/02/91/527370291.db2.gz YLBRUNNAVLHRBJ-HNNXBMFYSA-N 0 0 305.418 3.252 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000342928394 527372737 /nfs/dbraw/zinc/37/27/37/527372737.db2.gz NLRKWAMQSMAMKJ-DZGCQCFKSA-N 0 0 317.385 3.060 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000357296961 527374039 /nfs/dbraw/zinc/37/40/39/527374039.db2.gz ZUEHXVCENLSPLE-HNAYVOBHSA-N 0 0 315.413 3.016 10 30 DGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000129559172 527418559 /nfs/dbraw/zinc/41/85/59/527418559.db2.gz DZQFWZKGEJSLBM-SNVBAGLBSA-N 0 0 318.236 3.006 10 30 DGEERN C=C[C@@H](CC(=O)NCC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC000346938401 527422101 /nfs/dbraw/zinc/42/21/01/527422101.db2.gz QBCMNLFKQTUZPK-JSGCOSHPSA-N 0 0 315.335 3.430 10 30 DGEERN C=CCC[C@@H](C(=O)N[C@@H](CCC)C(=O)OC)c1ccccc1 ZINC000428025065 527423211 /nfs/dbraw/zinc/42/32/11/527423211.db2.gz QPYWXQGQKOGBQR-CVEARBPZSA-N 0 0 303.402 3.194 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)[C@@H](CC)c2ccncc2)cc1 ZINC000297000424 527435301 /nfs/dbraw/zinc/43/53/01/527435301.db2.gz UWRUDDALABXUHK-SFHVURJKSA-N 0 0 307.397 3.356 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccc1 ZINC000370429340 527476091 /nfs/dbraw/zinc/47/60/91/527476091.db2.gz ZJGBRKHZFUOZBF-GJZGRUSLSA-N 0 0 324.371 3.105 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000424933374 527493286 /nfs/dbraw/zinc/49/32/86/527493286.db2.gz QEEYIQIPQZWUOG-YOEHRIQHSA-N 0 0 317.404 3.345 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000425409470 527495555 /nfs/dbraw/zinc/49/55/55/527495555.db2.gz WALZXBGPQVTMQO-KSZLIROESA-N 0 0 316.445 3.317 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(CCOC)[C@@H]1CCOC1 ZINC000337609462 527505275 /nfs/dbraw/zinc/50/52/75/527505275.db2.gz SUCNHOYJFJSKBC-MRXNPFEDSA-N 0 0 318.417 3.074 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC(OCCCOC)C1 ZINC000337581919 527505603 /nfs/dbraw/zinc/50/56/03/527505603.db2.gz CJDYIAXXEBCKGA-UHFFFAOYSA-N 0 0 318.417 3.074 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC[C@H](C)[S@](C)=O ZINC000337608630 527507264 /nfs/dbraw/zinc/50/72/64/527507264.db2.gz SCAFNAQKQOLNCE-ZSEKCTLFSA-N 0 0 308.447 3.084 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC[C@@H](O)C(F)(F)F ZINC000337614408 527507398 /nfs/dbraw/zinc/50/73/98/527507398.db2.gz XPMITPVKGUXUJK-CYBMUJFWSA-N 0 0 316.323 3.240 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC[C@@H](C)[S@](C)=O ZINC000337608627 527507730 /nfs/dbraw/zinc/50/77/30/527507730.db2.gz SCAFNAQKQOLNCE-ASSNKEHSSA-N 0 0 308.447 3.084 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C#N)C(C)C ZINC000182470268 527527784 /nfs/dbraw/zinc/52/77/84/527527784.db2.gz OKPKSKHPBVRPMS-ONOODXEBSA-N 0 0 301.346 3.053 10 30 DGEERN C=CCN(C(=O)c1ccccc1)c1nc(C(=O)OCC)cs1 ZINC000337064923 527551118 /nfs/dbraw/zinc/55/11/18/527551118.db2.gz UOVQEWASKHMAQG-UHFFFAOYSA-N 0 0 316.382 3.153 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000360069267 527563121 /nfs/dbraw/zinc/56/31/21/527563121.db2.gz DDDLQBKOSCMTEC-SWLSCSKDSA-N 0 0 302.422 3.249 10 30 DGEERN C=CCN(C)C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000430333661 527564193 /nfs/dbraw/zinc/56/41/93/527564193.db2.gz SQAFYQXYTHJLAM-KRWDZBQOSA-N 0 0 312.417 3.069 10 30 DGEERN C=CCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347164586 527565526 /nfs/dbraw/zinc/56/55/26/527565526.db2.gz YSNZRXUIDWZLTR-UHFFFAOYSA-N 0 0 314.139 3.007 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)OCCc1ccccc1 ZINC000294752238 527586832 /nfs/dbraw/zinc/58/68/32/527586832.db2.gz PFQISWCUKHOFJS-CYBMUJFWSA-N 0 0 315.335 3.211 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1nc(C(C)C)ncc1Cl ZINC000121058201 527589836 /nfs/dbraw/zinc/58/98/36/527589836.db2.gz GQPPKKGTDNFMIL-UHFFFAOYSA-N 0 0 321.730 3.444 10 30 DGEERN C=CCN(CC=C)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000361446878 527606309 /nfs/dbraw/zinc/60/63/09/527606309.db2.gz GRDINHFXOWYAFF-UHFFFAOYSA-N 0 0 321.367 3.214 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000442657964 527607478 /nfs/dbraw/zinc/60/74/78/527607478.db2.gz ZECVHEWSVDYDPD-LJQANCHMSA-N 0 0 317.429 3.307 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000352568892 527614694 /nfs/dbraw/zinc/61/46/94/527614694.db2.gz HPLNNJMDWKUIIH-LJQANCHMSA-N 0 0 319.445 3.499 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000154612968 527621182 /nfs/dbraw/zinc/62/11/82/527621182.db2.gz SDYNJAPOLOAWQL-HNNXBMFYSA-N 0 0 310.401 3.317 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000188125426 527621169 /nfs/dbraw/zinc/62/11/69/527621169.db2.gz SYMVRBKJCFKDSN-SCLBCKFNSA-N 0 0 321.417 3.110 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000359533274 527623070 /nfs/dbraw/zinc/62/30/70/527623070.db2.gz XJYKUVQLPSOEQJ-UHFFFAOYSA-N 0 0 301.390 3.487 10 30 DGEERN C=C[C@](C)(O)CC(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000356375886 527631177 /nfs/dbraw/zinc/63/11/77/527631177.db2.gz NRQQTLYCTXLITF-SIWZUTFBSA-N 0 0 311.784 3.111 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000354653786 527638517 /nfs/dbraw/zinc/63/85/17/527638517.db2.gz DCPSVAKXXNVRFA-OLZOCXBDSA-N 0 0 321.726 3.387 10 30 DGEERN CC(C)CCC(=O)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301247133 527696443 /nfs/dbraw/zinc/69/64/43/527696443.db2.gz OKMICJQVEAASAL-UHFFFAOYSA-N 0 0 319.836 3.296 10 30 DGEERN CCCC(O)(CCC)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187165391 528010921 /nfs/dbraw/zinc/01/09/21/528010921.db2.gz YERCYQYYUJGIRX-UHFFFAOYSA-N 0 0 314.429 3.037 10 30 DGEERN CCCCCCCCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810751 528120675 /nfs/dbraw/zinc/12/06/75/528120675.db2.gz HLOZPRZFVXETOL-UHFFFAOYSA-N 0 0 318.465 3.266 10 30 DGEERN CCCCCCCCC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000155185663 528122025 /nfs/dbraw/zinc/12/20/25/528122025.db2.gz HWNMNNZAWDKSIK-AWEZNQCLSA-N 0 0 322.453 3.126 10 30 DGEERN CCCCCCCCCC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000152805972 528122767 /nfs/dbraw/zinc/12/27/67/528122767.db2.gz OXPPSLPVRXDJSI-OAHLLOKOSA-N 0 0 323.437 3.419 10 30 DGEERN CCC(C)(C)c1ccc(CNC(=O)C2(C#N)CCOCC2)cc1 ZINC000151781156 528603151 /nfs/dbraw/zinc/60/31/51/528603151.db2.gz UFHBADNLHVCPJH-UHFFFAOYSA-N 0 0 314.429 3.311 10 30 DGEERN CC(C)Cn1ncc(C(=O)NC2(C#N)CCCC2)c1C(F)F ZINC000120415999 528746783 /nfs/dbraw/zinc/74/67/83/528746783.db2.gz CQKQFWPFMVKDLF-UHFFFAOYSA-N 0 0 310.348 3.043 10 30 DGEERN CCCC[C@@H](C)N(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000359710251 528760348 /nfs/dbraw/zinc/76/03/48/528760348.db2.gz WZTIVRLTDODZHB-CXAGYDPISA-N 0 0 310.438 3.285 10 30 DGEERN CCC(CC)[C@H](CCNC(=O)N1CCC(C)(C#N)CC1)OC ZINC000357134596 528848742 /nfs/dbraw/zinc/84/87/42/528848742.db2.gz JMHFMBUAJBWARS-HNNXBMFYSA-N 0 0 309.454 3.163 10 30 DGEERN CC1(C)C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C(C)(C)O1 ZINC000183051640 529138533 /nfs/dbraw/zinc/13/85/33/529138533.db2.gz WYCHXUBUHNBPMI-OAHLLOKOSA-N 0 0 312.413 3.318 10 30 DGEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1O ZINC000186412000 529212549 /nfs/dbraw/zinc/21/25/49/529212549.db2.gz WLDCUISNBKMJFU-MRXNPFEDSA-N 0 0 319.368 3.408 10 30 DGEERN CCS[C@H]1CC[C@]1(O)CNc1c(C#N)cnc2ccccc21 ZINC000301493714 529234824 /nfs/dbraw/zinc/23/48/24/529234824.db2.gz RCYVRCOMYFLIHE-RDJZCZTQSA-N 0 0 313.426 3.165 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000183947079 529300194 /nfs/dbraw/zinc/30/01/94/529300194.db2.gz FRZARPDYSVZWTE-CQSZACIVSA-N 0 0 302.374 3.064 10 30 DGEERN C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000047935434 545686717 /nfs/dbraw/zinc/68/67/17/545686717.db2.gz PBAKFIUBNBVITA-LLVKDONJSA-N 0 0 315.323 3.397 10 30 DGEERN CC(=O)N1CCCN(CC#Cc2ccccc2)c2ccccc21 ZINC000192111620 546229355 /nfs/dbraw/zinc/22/93/55/546229355.db2.gz HWCWYTSVSFHZKP-UHFFFAOYSA-N 0 0 304.393 3.301 10 30 DGEERN O=C(Nc1ccc(-c2cncnc2)cn1)C1(C2CC2)CCOCC1 ZINC000328849626 546482391 /nfs/dbraw/zinc/48/23/91/546482391.db2.gz WGPATFRGWPDXSW-UHFFFAOYSA-N 0 0 324.384 3.333 10 30 DGEERN O=C(Nc1scnc1C1CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328933659 546482904 /nfs/dbraw/zinc/48/29/04/546482904.db2.gz PUUIORXDGQZUKQ-LRDDRELGSA-N 0 0 321.446 3.193 10 30 DGEERN [O-]C(=[NH+]c1nc2ccsc2s1)N1CC2(C1)CCCOC2 ZINC000329306583 546485305 /nfs/dbraw/zinc/48/53/05/546485305.db2.gz BDUAZDCFCZQWTQ-UHFFFAOYSA-N 0 0 309.416 3.016 10 30 DGEERN Cc1cn2cc(NC(=O)NCC3(O)CCCCCC3)ccc2n1 ZINC000329439884 546486504 /nfs/dbraw/zinc/48/65/04/546486504.db2.gz MSQGMKVNORXJIH-UHFFFAOYSA-N 0 0 316.405 3.054 10 30 DGEERN O=C(NC1CCN(c2ccccn2)CC1)[C@H]1CCc2cccnc21 ZINC000330119996 546495377 /nfs/dbraw/zinc/49/53/77/546495377.db2.gz GDWFDPJZQYFLSE-INIZCTEOSA-N 0 0 322.412 3.132 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333651230 546509818 /nfs/dbraw/zinc/50/98/18/546509818.db2.gz UVXFCQDDZJDBGT-GTTSAUCSSA-N 0 0 319.355 3.334 10 30 DGEERN Cc1nsc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1C#N ZINC000333808229 546511821 /nfs/dbraw/zinc/51/18/21/546511821.db2.gz FWSIBJHHSAQNFP-WNCDQNTKSA-N 0 0 316.430 3.223 10 30 DGEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCC(C(C)(C)C)CC1 ZINC000337807348 546523935 /nfs/dbraw/zinc/52/39/35/546523935.db2.gz IMMKRLIEPLRTAO-AWEZNQCLSA-N 0 0 318.465 3.231 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@@H](C)OCc2ccccc2)c1 ZINC000730402698 574528668 /nfs/dbraw/zinc/52/86/68/574528668.db2.gz HIEGLNGFQPSKDF-MRXNPFEDSA-N 0 0 324.376 3.347 10 30 DGEERN C#CCOc1cccc(COC(=O)c2ccccc2COC)c1 ZINC000730404982 574528839 /nfs/dbraw/zinc/52/88/39/574528839.db2.gz ASEMFORDIQJZIN-UHFFFAOYSA-N 0 0 310.349 3.202 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cc(F)cc(F)c2)c1 ZINC000730404808 574528866 /nfs/dbraw/zinc/52/88/66/574528866.db2.gz OPWHVTISNRILDK-UHFFFAOYSA-N 0 0 302.276 3.334 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)CCOCC(C)C)cc1 ZINC000730431010 574529138 /nfs/dbraw/zinc/52/91/38/574529138.db2.gz UPMPDIZPKKQVBU-OAHLLOKOSA-N 0 0 304.386 3.366 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](C)OCC(C)C ZINC000730424161 574529266 /nfs/dbraw/zinc/52/92/66/574529266.db2.gz RFFPHDZZICECSR-LSDHHAIUSA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(COC)o1 ZINC000730423982 574529357 /nfs/dbraw/zinc/52/93/57/574529357.db2.gz KPKFHPMJLKAQLN-CYBMUJFWSA-N 0 0 314.337 3.356 10 30 DGEERN C#CCOc1cccc(OC(=O)[C@H](CC)c2c(C)noc2C)c1 ZINC000730500960 574530582 /nfs/dbraw/zinc/53/05/82/574530582.db2.gz YHKGYVIBXGNDCK-MRXNPFEDSA-N 0 0 313.353 3.403 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000730966958 574539735 /nfs/dbraw/zinc/53/97/35/574539735.db2.gz OOXKEZARENLGPT-INIZCTEOSA-N 0 0 315.413 3.074 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@@H](COC)c2ccccc2)c1 ZINC000731112267 574543806 /nfs/dbraw/zinc/54/38/06/574543806.db2.gz DQYMIMNQNIFEGA-SFHVURJKSA-N 0 0 324.380 3.208 10 30 DGEERN CCOc1ccc(/C=N/[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000731562856 574551787 /nfs/dbraw/zinc/55/17/87/574551787.db2.gz IMIDKUCLMRPYFP-UOBPLZBXSA-N 0 0 324.380 3.015 10 30 DGEERN C[C@@H](OC(=O)c1sccc1C#N)C(=O)c1ccc(F)cc1F ZINC000731719593 574557379 /nfs/dbraw/zinc/55/73/79/574557379.db2.gz KKCFPDRGVIMFGQ-MRVPVSSYSA-N 0 0 321.304 3.326 10 30 DGEERN C#Cc1cccc(NC(=S)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000741493135 574557788 /nfs/dbraw/zinc/55/77/88/574557788.db2.gz ROMUXSIQEMGIOC-RHSMWYFYSA-N 0 0 315.486 3.027 10 30 DGEERN CCCCCCCCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732701468 574579147 /nfs/dbraw/zinc/57/91/47/574579147.db2.gz RFQCQFSJUWPXLC-KRWDZBQOSA-N 0 0 320.481 3.119 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)/C=C/C2CCOCC2)c1 ZINC000732710134 574579794 /nfs/dbraw/zinc/57/97/94/574579794.db2.gz MHERZKRDHRZFJL-KIUWMYQTSA-N 0 0 314.381 3.286 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000733053541 574593329 /nfs/dbraw/zinc/59/33/29/574593329.db2.gz JNLQHGUIMJQPPO-NVXWUHKLSA-N 0 0 316.397 3.337 10 30 DGEERN C#CCCNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC000733246938 574609818 /nfs/dbraw/zinc/60/98/18/574609818.db2.gz WQENBRIROPZDGI-UHFFFAOYSA-N 0 0 316.788 3.079 10 30 DGEERN C#CCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000733247998 574610138 /nfs/dbraw/zinc/61/01/38/574610138.db2.gz IGVCZRBTISSFFS-UHFFFAOYSA-N 0 0 314.816 3.430 10 30 DGEERN C#CCCNC(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000733334958 574616571 /nfs/dbraw/zinc/61/65/71/574616571.db2.gz GSLOYWKTRLBNOV-UHFFFAOYSA-N 0 0 317.389 3.326 10 30 DGEERN C#CCCNC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000733344518 574616951 /nfs/dbraw/zinc/61/69/51/574616951.db2.gz WRELBONLZHDHCG-UHFFFAOYSA-N 0 0 302.393 3.350 10 30 DGEERN C#CCCNC(=O)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000733356279 574617606 /nfs/dbraw/zinc/61/76/06/574617606.db2.gz IPKZRSRCHMCRJI-SFHVURJKSA-N 0 0 308.381 3.107 10 30 DGEERN C#CCCNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000733356665 574617687 /nfs/dbraw/zinc/61/76/87/574617687.db2.gz MMODHTXUMIWUBS-OAHLLOKOSA-N 0 0 302.374 3.299 10 30 DGEERN C#CCCNC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000733629490 574632730 /nfs/dbraw/zinc/63/27/30/574632730.db2.gz GARUCAVYFCYTHS-UHFFFAOYSA-N 0 0 323.849 3.038 10 30 DGEERN C#CCCNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000733630679 574632843 /nfs/dbraw/zinc/63/28/43/574632843.db2.gz SINXKANZOOJMCN-UHFFFAOYSA-N 0 0 321.380 3.392 10 30 DGEERN C=C(COC(=O)Cc1ccc(CC(C)C)cc1)C(=O)OCC ZINC000734026913 574647345 /nfs/dbraw/zinc/64/73/45/574647345.db2.gz FAQXFNHWSIHCFU-UHFFFAOYSA-N 0 0 304.386 3.090 10 30 DGEERN C=C(COC(=O)c1cc(Cl)nc2ccccc21)C(=O)OCC ZINC000734027520 574647466 /nfs/dbraw/zinc/64/74/66/574647466.db2.gz XTICHCKCSDFHTO-UHFFFAOYSA-N 0 0 319.744 3.164 10 30 DGEERN C=C(COC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)OCC ZINC000734028232 574647518 /nfs/dbraw/zinc/64/75/18/574647518.db2.gz GLJMFVYJMLLHKB-UHFFFAOYSA-N 0 0 320.238 3.121 10 30 DGEERN C=C(COC(=O)CCCc1ccc(Cl)cc1)C(=O)OCC ZINC000734029761 574647760 /nfs/dbraw/zinc/64/77/60/574647760.db2.gz QTZUXIOYNMHJOE-UHFFFAOYSA-N 0 0 310.777 3.325 10 30 DGEERN C=C(COC(=O)COc1cc(C(C)C)ccc1C)C(=O)OCC ZINC000734025054 574648278 /nfs/dbraw/zinc/64/82/78/574648278.db2.gz YUEHZLNBCJBNNF-UHFFFAOYSA-N 0 0 320.385 3.160 10 30 DGEERN C=C(COC(=O)[C@H](c1ccccc1)[C@@H](C)CC)C(=O)OCC ZINC000734022847 574648416 /nfs/dbraw/zinc/64/84/16/574648416.db2.gz KSXAXUWMWOCWGK-BBRMVZONSA-N 0 0 304.386 3.479 10 30 DGEERN C=C(COC(=O)CSc1cc(C)ccc1C)C(=O)OCC ZINC000734024133 574648440 /nfs/dbraw/zinc/64/84/40/574648440.db2.gz HIORWEKUIZDHNU-UHFFFAOYSA-N 0 0 308.399 3.058 10 30 DGEERN C#CCOc1ccccc1CNC(=O)NCC1CCCCC1 ZINC000734171509 574652879 /nfs/dbraw/zinc/65/28/79/574652879.db2.gz DBSYQOSVMYOSHD-UHFFFAOYSA-N 0 0 300.402 3.078 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@@H](C)C1CCCC1 ZINC000734169841 574653026 /nfs/dbraw/zinc/65/30/26/574653026.db2.gz BAAZGGCWQRLQBM-AWEZNQCLSA-N 0 0 300.402 3.077 10 30 DGEERN C=CC[C@H](NS(=O)(=O)c1cc(C)sc1C)c1ccncc1 ZINC000734505087 574665176 /nfs/dbraw/zinc/66/51/76/574665176.db2.gz XXXRIAUUTSQMNV-AWEZNQCLSA-N 0 0 322.455 3.356 10 30 DGEERN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000735308667 574696298 /nfs/dbraw/zinc/69/62/98/574696298.db2.gz OALCBXQWZLPCAZ-SWLSCSKDSA-N 0 0 308.809 3.242 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)COC1CCCC1 ZINC000735343883 574698749 /nfs/dbraw/zinc/69/87/49/574698749.db2.gz DHJLCBXFACFDBB-UHFFFAOYSA-N 0 0 323.776 3.245 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)CC[C@H]1CCCO1 ZINC000735342699 574698933 /nfs/dbraw/zinc/69/89/33/574698933.db2.gz DWMAYSPNUCGAAQ-CQSZACIVSA-N 0 0 323.776 3.245 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@](C)(O)c1ccccc1C(F)(F)F ZINC000735877418 574719097 /nfs/dbraw/zinc/71/90/97/574719097.db2.gz JWEVLAPGMGYZJM-OAHLLOKOSA-N 0 0 315.335 3.338 10 30 DGEERN C=CCc1ccc(OC(=O)[C@H](CC)N(CC)CC)c(OC)c1 ZINC000735994975 574726497 /nfs/dbraw/zinc/72/64/97/574726497.db2.gz VIHUOSGLAKVNJR-HNNXBMFYSA-N 0 0 305.418 3.450 10 30 DGEERN C=CCCCN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCC1 ZINC000736578695 574759473 /nfs/dbraw/zinc/75/94/73/574759473.db2.gz XSSKEGBUFJAPLJ-UHFFFAOYSA-N 0 0 310.438 3.249 10 30 DGEERN C=CCCCN(C)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000736589991 574759725 /nfs/dbraw/zinc/75/97/25/574759725.db2.gz NWFVLBJYDMIWJZ-UHFFFAOYSA-N 0 0 324.475 3.417 10 30 DGEERN C#CCN(CC#CC)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000742003592 574813788 /nfs/dbraw/zinc/81/37/88/574813788.db2.gz DLQVEDOFVKGDBA-UHFFFAOYSA-N 0 0 309.409 3.497 10 30 DGEERN CCOc1ccc(F)c(C(=O)OCc2ccc(C#N)cc2)c1N ZINC000741039985 574949753 /nfs/dbraw/zinc/94/97/53/574949753.db2.gz YNZQHRZLJJDQCM-UHFFFAOYSA-N 0 0 314.316 3.035 10 30 DGEERN C=CC[C@H](NC(=O)NC[C@@](C)(O)CCC(C)C)c1ccncc1 ZINC000741089102 574950996 /nfs/dbraw/zinc/95/09/96/574950996.db2.gz KYOQZNYMGGYOAM-WMZOPIPTSA-N 0 0 319.449 3.185 10 30 DGEERN N#Cc1ccsc1C(=O)OCc1c(Cl)nc2sccn21 ZINC000741112349 574951031 /nfs/dbraw/zinc/95/10/31/574951031.db2.gz VUMWPDPCVQXGBO-UHFFFAOYSA-N 0 0 323.786 3.339 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1ccncc1F ZINC000741376194 574956489 /nfs/dbraw/zinc/95/64/89/574956489.db2.gz ABXNMXDJRMPHHV-UHFFFAOYSA-N 0 0 320.707 3.133 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1 ZINC000741565225 574963084 /nfs/dbraw/zinc/96/30/84/574963084.db2.gz SGNDINRCSJIMKD-AUUYWEPGSA-N 0 0 305.377 3.362 10 30 DGEERN Brc1ccc(N=NCc2c[nH]c3ncccc23)nc1 ZINC000741764775 574969453 /nfs/dbraw/zinc/96/94/53/574969453.db2.gz XXWSQTUTHVQGEL-UHFFFAOYSA-N 0 0 316.162 3.166 10 30 DGEERN C#Cc1cccc(N(C(=O)c2nc(C)ncc2Cl)C(C)C)c1 ZINC000741920710 574976426 /nfs/dbraw/zinc/97/64/26/574976426.db2.gz ULFHGRTWQCWWDW-UHFFFAOYSA-N 0 0 313.788 3.475 10 30 DGEERN C=CCOc1ccc(OCc2cnn(-c3ccccc3)n2)cc1 ZINC000742365903 574992566 /nfs/dbraw/zinc/99/25/66/574992566.db2.gz WHIJPMBJKXBSDY-UHFFFAOYSA-N 0 0 307.353 3.411 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](CC)c2c(C)nn(C)c2C)c1 ZINC000743086174 575035136 /nfs/dbraw/zinc/03/51/36/575035136.db2.gz WSFMMLRFPCSKAH-MRXNPFEDSA-N 0 0 310.401 3.291 10 30 DGEERN C=CCOc1ccc(/C=C\C(=O)OC[C@@H]2C[C@H]2C)cc1OC ZINC000729092254 575216940 /nfs/dbraw/zinc/21/69/40/575216940.db2.gz NDCIIMDIKPDSAC-HYWNAFCQSA-N 0 0 302.370 3.472 10 30 DGEERN CC(Cc1ccsc1)N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000729636881 575257844 /nfs/dbraw/zinc/25/78/44/575257844.db2.gz CIXQNDZDPNZTHG-UHFFFAOYSA-N 0 0 308.428 3.182 10 30 DGEERN COc1ccc(/C=C\C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000729835377 575263635 /nfs/dbraw/zinc/26/36/35/575263635.db2.gz MCORTBHLSJAHIT-UITAMQMPSA-N 0 0 310.328 3.036 10 30 DGEERN C=CCOc1ccc(C=Nn2cnnc2-c2ccccc2)cc1 ZINC000725856122 575933829 /nfs/dbraw/zinc/93/38/29/575933829.db2.gz LVWWMOPBPNCPDF-UHFFFAOYSA-N 0 0 304.353 3.392 10 30 DGEERN C=C(Br)COC(=O)[C@H](CC)c1c(C)noc1C ZINC000726005707 575982752 /nfs/dbraw/zinc/98/27/52/575982752.db2.gz BHMRIJNDMOMZGC-SNVBAGLBSA-N 0 0 302.168 3.237 10 30 DGEERN C=C(C)COC(=O)c1cc(C)ccc1I ZINC000726059587 575998371 /nfs/dbraw/zinc/99/83/71/575998371.db2.gz FZKKTGCZZRDTHK-UHFFFAOYSA-N 0 0 316.138 3.333 10 30 DGEERN C#CCCOC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000727042110 576097096 /nfs/dbraw/zinc/09/70/96/576097096.db2.gz PUNIUUAPOGUTLY-UHFFFAOYSA-N 0 0 306.321 3.378 10 30 DGEERN COc1ccc(C=NNc2ccc(C)cn2)cc1OC(F)F ZINC000727260565 576116795 /nfs/dbraw/zinc/11/67/95/576116795.db2.gz YQNWENILKGAUBL-UHFFFAOYSA-N 0 0 307.300 3.446 10 30 DGEERN N#Cc1ccc(N2CCC[C@@H]2C(=O)OCCc2ccccc2)cc1 ZINC000728348173 576177997 /nfs/dbraw/zinc/17/79/97/576177997.db2.gz LEFXMBILDWKAJD-LJQANCHMSA-N 0 0 320.392 3.313 10 30 DGEERN CCCOc1ccc(OCC(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000154204242 620646790 /nfs/dbraw/zinc/64/67/90/620646790.db2.gz SKGYATNPCXHNNM-HNNXBMFYSA-N 0 0 305.374 3.336 10 30 DGEERN CCCCCCCCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154211832 620648007 /nfs/dbraw/zinc/64/80/07/620648007.db2.gz NEGSICFUUVNHPS-INIZCTEOSA-N 0 0 320.481 3.256 10 30 DGEERN C#CCN(C(=O)NCCc1ccc(F)cc1F)C1CCCC1 ZINC000121255526 617605789 /nfs/dbraw/zinc/60/57/89/617605789.db2.gz GWGSANWZYMGECK-UHFFFAOYSA-N 0 0 306.356 3.095 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000112148893 620794273 /nfs/dbraw/zinc/79/42/73/620794273.db2.gz RFTMMEYCMAVLQN-PBHICJAKSA-N 0 0 306.365 3.213 10 30 DGEERN C=CCC(CC=C)C(=O)Oc1cc(C(=O)N(C)C)ccc1C ZINC000151244660 620433691 /nfs/dbraw/zinc/43/36/91/620433691.db2.gz ASTKQPJVSFTVIM-UHFFFAOYSA-N 0 0 301.386 3.371 10 30 DGEERN C#CCOc1cccc(NC(=O)NC[C@](C)(O)CCC(C)C)c1 ZINC000151539591 620457690 /nfs/dbraw/zinc/45/76/90/620457690.db2.gz AGEFSOATBGFQOY-GOSISDBHSA-N 0 0 318.417 3.007 10 30 DGEERN C#C[C@H](OC(=O)CCC(=O)c1ccc(OCCC)cc1)C1CC1 ZINC000152728760 620519395 /nfs/dbraw/zinc/51/93/95/620519395.db2.gz QKSFTNFRSIZLKA-SFHVURJKSA-N 0 0 314.381 3.393 10 30 DGEERN C#C[C@@H](OC(=O)CCc1ccc(Br)cc1)C1CC1 ZINC000152739304 620520488 /nfs/dbraw/zinc/52/04/88/620520488.db2.gz UYPDABUWDXPJKF-CQSZACIVSA-N 0 0 307.187 3.337 10 30 DGEERN COCc1ccccc1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000153350009 620553374 /nfs/dbraw/zinc/55/33/74/620553374.db2.gz FRFUMYKBWNEPEE-CYBMUJFWSA-N 0 0 315.394 3.434 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@@H](CC)c2nccs2)cc1 ZINC000153955277 620626329 /nfs/dbraw/zinc/62/63/29/620626329.db2.gz RVJKLEXENXZRBH-AWEZNQCLSA-N 0 0 315.398 3.428 10 30 DGEERN Cc1cccc2[nH]cc(CC/N=C/c3ccc(O)c(O)c3O)c21 ZINC000102970874 621207110 /nfs/dbraw/zinc/20/71/10/621207110.db2.gz MTVVACBRKJRZMU-DJKKODMXSA-N 0 0 310.353 3.255 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000103027644 621223068 /nfs/dbraw/zinc/22/30/68/621223068.db2.gz CDXUMHAXXZWENI-HNNXBMFYSA-N 0 0 318.376 3.360 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000120148772 621791764 /nfs/dbraw/zinc/79/17/64/621791764.db2.gz OBGNEQIYXMZMPK-CQSZACIVSA-N 0 0 324.380 3.478 10 30 DGEERN C#CCN(C(=O)NCc1ccc(C)cc1OCC)C1CCCC1 ZINC000129170435 625553264 /nfs/dbraw/zinc/55/32/64/625553264.db2.gz CPOPJJSAZLFOCT-UHFFFAOYSA-N 0 0 314.429 3.481 10 30 DGEERN C=C[C@@H](CC(=O)OCC(=O)NC1CCCCC1)c1ccccc1 ZINC000122554330 622347606 /nfs/dbraw/zinc/34/76/06/622347606.db2.gz JHYLMOSVRGKCPZ-HNNXBMFYSA-N 0 0 315.413 3.338 10 30 DGEERN C=C(Br)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000122995229 622440419 /nfs/dbraw/zinc/44/04/19/622440419.db2.gz HNULLUQKGNMRFK-UHFFFAOYSA-N 0 0 305.103 3.063 10 30 DGEERN C#CCN(C(=O)NC[C@H]1CCCO[C@H]1C(C)C)C1CCCC1 ZINC000123917436 622750008 /nfs/dbraw/zinc/75/00/08/622750008.db2.gz VIHQHIABPGFREP-WBVHZDCISA-N 0 0 306.450 3.025 10 30 DGEERN C#CC[C@H](OC(=O)COC/C=C/c1ccccc1)c1ccccn1 ZINC000124211289 622959477 /nfs/dbraw/zinc/95/94/77/622959477.db2.gz QJMASKNVBBQFAL-BEBFYNPSSA-N 0 0 321.376 3.419 10 30 DGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1cccc(Cl)c1 ZINC000125076856 623301401 /nfs/dbraw/zinc/30/14/01/623301401.db2.gz FGPCTOGYFPSYQS-SNVBAGLBSA-N 0 0 301.777 3.389 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000126155370 623700261 /nfs/dbraw/zinc/70/02/61/623700261.db2.gz SQJDGDXTXJJREM-ZFWWWQNUSA-N 0 0 304.390 3.232 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000133075810 626763028 /nfs/dbraw/zinc/76/30/28/626763028.db2.gz KJHDOHADHBDWMS-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN C#C[C@@H](OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000134108661 626856111 /nfs/dbraw/zinc/85/61/11/626856111.db2.gz LCRMDJUKNUHISA-OAHLLOKOSA-N 0 0 308.337 3.183 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C/c2ccccc2)c(F)c1 ZINC000134560947 626882040 /nfs/dbraw/zinc/88/20/40/626882040.db2.gz MCZKFQZLUBWSKX-CMDGGOBGSA-N 0 0 303.314 3.077 10 30 DGEERN Cc1cc(C#N)ccc1OS(=O)(=O)c1cccc2ncccc21 ZINC000101579896 629742814 /nfs/dbraw/zinc/74/28/14/629742814.db2.gz IHNLQELOFOHEJB-UHFFFAOYSA-N 0 0 324.361 3.183 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1coc(Br)c1 ZINC000107191462 631560364 /nfs/dbraw/zinc/56/03/64/631560364.db2.gz BYIXWXAWUUTRGP-UHFFFAOYSA-N 0 0 321.126 3.273 10 30 DGEERN N#Cc1ccc(C(=O)Oc2ccc(F)cc2Br)nc1 ZINC000107430607 631622463 /nfs/dbraw/zinc/62/24/63/631622463.db2.gz BKFNUANOMBCPHM-UHFFFAOYSA-N 0 0 321.105 3.074 10 30 DGEERN CC(C)(CC#N)COC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000184781962 660186677 /nfs/dbraw/zinc/18/66/77/660186677.db2.gz AEYOZOIXOLDPCW-UHFFFAOYSA-N 0 0 316.279 3.119 10 30 DGEERN C=CCOc1ccc(COC(=O)c2ccc(COC)o2)cc1 ZINC000184827503 660189442 /nfs/dbraw/zinc/18/94/42/660189442.db2.gz VZEKKNNGMHZZEB-UHFFFAOYSA-N 0 0 302.326 3.348 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1nc(C2CCCC2)no1 ZINC000185369337 660219499 /nfs/dbraw/zinc/21/94/99/660219499.db2.gz HUYCYUVILMDLTC-UHFFFAOYSA-N 0 0 304.390 3.253 10 30 DGEERN COc1ccc(O)c(/C=N/Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185480531 660224653 /nfs/dbraw/zinc/22/46/53/660224653.db2.gz KGAQVLBOMXHYBJ-KEBDBYFISA-N 0 0 319.364 3.477 10 30 DGEERN C=CCOC(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000058818110 659108924 /nfs/dbraw/zinc/10/89/24/659108924.db2.gz VPEZPWNAIZDFNR-UHFFFAOYSA-N 0 0 317.414 3.095 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1cccc(OC)c1)c1ccccn1 ZINC000073294143 660261186 /nfs/dbraw/zinc/26/11/86/660261186.db2.gz JZSABEUODNFBKC-GOSISDBHSA-N 0 0 309.365 3.331 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CC1(Cl)Cl ZINC000131312988 660303339 /nfs/dbraw/zinc/30/33/39/660303339.db2.gz QCSZFWQXUGTHLW-MWLCHTKSSA-N 0 0 314.168 3.063 10 30 DGEERN CCOc1c(F)cccc1C(=O)Oc1ccc(C#N)cc1OC ZINC000073853890 660570473 /nfs/dbraw/zinc/57/04/73/660570473.db2.gz JKSPVBKVCXOPQD-UHFFFAOYSA-N 0 0 315.300 3.324 10 30 DGEERN C#C[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000700625918 660630956 /nfs/dbraw/zinc/63/09/56/660630956.db2.gz ANDCTUKOSASCBM-RISCZKNCSA-N 0 0 308.219 3.471 10 30 DGEERN C[C@]1(C#N)CCN(c2nc3cc(Br)ccc3o2)C1 ZINC000705917513 660841184 /nfs/dbraw/zinc/84/11/84/660841184.db2.gz OEMDVQWBYWYKLR-CYBMUJFWSA-N 0 0 306.163 3.330 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] ZINC000187601751 655552979 /nfs/dbraw/zinc/55/29/79/655552979.db2.gz RIFHHNPIJIKBHN-INIZCTEOSA-N 0 0 307.346 3.291 10 30 DGEERN COC(=O)c1cc(F)ccc1CON=Cc1ccccc1F ZINC000255195470 655636888 /nfs/dbraw/zinc/63/68/88/655636888.db2.gz WJHFMLMVPPBHDB-UHFFFAOYSA-N 0 0 305.280 3.302 10 30 DGEERN C=CCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C1CC1 ZINC000289580367 655637073 /nfs/dbraw/zinc/63/70/73/655637073.db2.gz HJQBOYDLGYAGOC-UHFFFAOYSA-N 0 0 303.797 3.168 10 30 DGEERN CCOc1cc2c(cc1/C=C/C(=O)O[C@H](C#N)CC)O[C@H](C)C2 ZINC000176015022 655705213 /nfs/dbraw/zinc/70/52/13/655705213.db2.gz KSVUGDRUCLJFKX-BQKNJBSGSA-N 0 0 315.369 3.267 10 30 DGEERN COc1cccc(/C=N\[C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000255366213 655709315 /nfs/dbraw/zinc/70/93/15/655709315.db2.gz MHLIEDJWGADSBI-LPXFMOJISA-N 0 0 322.368 3.162 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000255385297 655723807 /nfs/dbraw/zinc/72/38/07/655723807.db2.gz IQQDLHNKBNZSMQ-OSJSJHBBSA-N 0 0 324.405 3.233 10 30 DGEERN C[C@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)OC(C)(C)C ZINC000255396397 655729692 /nfs/dbraw/zinc/72/96/92/655729692.db2.gz IUMFZSIWKZKJDD-TZQXVGBESA-N 0 0 300.358 3.090 10 30 DGEERN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@H](C#N)C1CC1 ZINC000176076949 655731878 /nfs/dbraw/zinc/73/18/78/655731878.db2.gz ZVFKVCIHNRREJD-NOZJJQNGSA-N 0 0 313.275 3.318 10 30 DGEERN COc1cc(C(=O)O[C@H](C#N)C2CC2)ccc1OCC(C)C ZINC000176079951 655732147 /nfs/dbraw/zinc/73/21/47/655732147.db2.gz YLCIUPOJKABKAR-MRXNPFEDSA-N 0 0 303.358 3.189 10 30 DGEERN CCOc1cc2c(cc1/C=C\C(=O)OC(C)(C)C#N)O[C@@H](C)C2 ZINC000255414192 655740294 /nfs/dbraw/zinc/74/02/94/655740294.db2.gz LPBWMCGDRHYKHE-DGMVEKRQSA-N 0 0 315.369 3.267 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)C(F)F ZINC000176250927 655747263 /nfs/dbraw/zinc/74/72/63/655747263.db2.gz XBOGUNXMKTWMKU-UHFFFAOYSA-N 0 0 320.242 3.010 10 30 DGEERN COc1cc(/C=C\C(=O)c2occc2C)cc2c1OCCO2 ZINC000255431259 655749047 /nfs/dbraw/zinc/74/90/47/655749047.db2.gz KALVPYUTSOPRQX-ARJAWSKDSA-N 0 0 300.310 3.264 10 30 DGEERN C#CCN(CC#C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000166217210 655792574 /nfs/dbraw/zinc/79/25/74/655792574.db2.gz PCXIOSXCRVHXHK-UHFFFAOYSA-N 0 0 318.298 3.429 10 30 DGEERN C[C@@H](ON=Cc1cccs1)C(=O)N[C@H](C)c1ccccc1 ZINC000255538776 655793193 /nfs/dbraw/zinc/79/31/93/655793193.db2.gz DDZMYYBBRLAZHY-CHWSQXEVSA-N 0 0 302.399 3.365 10 30 DGEERN C[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000255548719 655794386 /nfs/dbraw/zinc/79/43/86/655794386.db2.gz HHUHJKVRIRZXFL-FNOHHLHBSA-N 0 0 320.348 3.178 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000187584844 655810052 /nfs/dbraw/zinc/81/00/52/655810052.db2.gz IWKOLPSRWNNPQT-CRAIPNDOSA-N 0 0 319.376 3.280 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)Nc1c(C)onc1CC ZINC000155760567 655810342 /nfs/dbraw/zinc/81/03/42/655810342.db2.gz IPBWXTJRRZDJAN-UHFFFAOYSA-N 0 0 317.320 3.341 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)/C=C\c1ccccc1C#N ZINC000255569330 655815001 /nfs/dbraw/zinc/81/50/01/655815001.db2.gz BBJKOZFVVHMCEE-YUQCYMQKSA-N 0 0 320.392 3.293 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCc1cccs1 ZINC000065662918 655850730 /nfs/dbraw/zinc/85/07/30/655850730.db2.gz GSIBZNNZYZESFW-GFCCVEGCSA-N 0 0 301.367 3.173 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(C(=O)N(C)CC)c1)C(C)(C)C ZINC000159726264 655851316 /nfs/dbraw/zinc/85/13/16/655851316.db2.gz TWOFKTSJIYKOKF-MRXNPFEDSA-N 0 0 315.413 3.373 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C ZINC000159848080 655853522 /nfs/dbraw/zinc/85/35/22/655853522.db2.gz WZBITLQSGMGSDI-IAGOWNOFSA-N 0 0 315.413 3.235 10 30 DGEERN C/C(=C/c1ccc(F)cc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000176903762 655865197 /nfs/dbraw/zinc/86/51/97/655865197.db2.gz MBLFRGRFJLMLJJ-OWBHPGMISA-N 0 0 324.355 3.296 10 30 DGEERN COc1ccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)cc1 ZINC000255687101 655889839 /nfs/dbraw/zinc/88/98/39/655889839.db2.gz RTCTUPRTPBBDPS-YVMONPNESA-N 0 0 303.321 3.111 10 30 DGEERN CON=Cc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1 ZINC000255870575 655930180 /nfs/dbraw/zinc/93/01/80/655930180.db2.gz LFLKBADFNPWLAB-GFCCVEGCSA-N 0 0 312.373 3.087 10 30 DGEERN C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)O1 ZINC000177694034 655940253 /nfs/dbraw/zinc/94/02/53/655940253.db2.gz CFHAGZFPTUQOBW-GIPNMCIBSA-N 0 0 319.311 3.175 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1c(C)nn(CC(C)C)c1C)C(C)C ZINC000177719992 655943229 /nfs/dbraw/zinc/94/32/29/655943229.db2.gz CTIHZNLNBSZNFG-QGZVFWFLSA-N 0 0 304.434 3.290 10 30 DGEERN C#CC[C@@H](OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000177733449 655943822 /nfs/dbraw/zinc/94/38/22/655943822.db2.gz HWBJSHHZJJYMMH-OAHLLOKOSA-N 0 0 323.433 3.225 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1ccc(F)cc1Br ZINC000066308835 655945922 /nfs/dbraw/zinc/94/59/22/655945922.db2.gz WJMCZEJYAWLKDY-SECBINFHSA-N 0 0 317.154 3.475 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nc(C2CCCC2)no1)C(C)C ZINC000178037394 655952931 /nfs/dbraw/zinc/95/29/31/655952931.db2.gz ADDSQGSMACHBCJ-AWEZNQCLSA-N 0 0 304.390 3.251 10 30 DGEERN N#Cc1ccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)c(F)c1 ZINC000182020824 656102274 /nfs/dbraw/zinc/10/22/74/656102274.db2.gz OXOAKFZMRUQEHH-UHFFFAOYSA-N 0 0 306.296 3.472 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC1(C#N)CCC1 ZINC000183885832 656115357 /nfs/dbraw/zinc/11/53/57/656115357.db2.gz XQFCXAQHRDDCLX-FMIVXFBMSA-N 0 0 300.314 3.235 10 30 DGEERN C[C@H](CCn1cccn1)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183912227 656115899 /nfs/dbraw/zinc/11/58/99/656115899.db2.gz NIGLLACUDIYQTA-CQSZACIVSA-N 0 0 309.369 3.074 10 30 DGEERN CO[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000122984163 656131474 /nfs/dbraw/zinc/13/14/74/656131474.db2.gz SHZXJBBPSQDRLQ-KSSFIOAISA-N 0 0 319.364 3.137 10 30 DGEERN CCc1oc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cc1C ZINC000162412551 656144163 /nfs/dbraw/zinc/14/41/63/656144163.db2.gz APWCBMGYCIMTDL-AWEZNQCLSA-N 0 0 310.353 3.420 10 30 DGEERN C=CCOc1ccc(CNc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000120358126 656171125 /nfs/dbraw/zinc/17/11/25/656171125.db2.gz JMUDJGJIADRLEQ-UHFFFAOYSA-N 0 0 310.353 3.194 10 30 DGEERN Cn1c(=O)sc2cc(/C=C/C(=O)c3cccc(O)c3)ccc21 ZINC000193125305 656185541 /nfs/dbraw/zinc/18/55/41/656185541.db2.gz WGOPKPNZQSHPFO-SOFGYWHQSA-N 0 0 311.362 3.202 10 30 DGEERN C#CC[C@@H](COC)NC(=O)CCc1ccc(Cl)cc1Cl ZINC000716946671 661234713 /nfs/dbraw/zinc/23/47/13/661234713.db2.gz DGGFTVLTOUNSPP-ZDUSSCGKSA-N 0 0 314.212 3.081 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194279569 656199638 /nfs/dbraw/zinc/19/96/38/656199638.db2.gz APYMBTNUSJHNHZ-JTQLQIEISA-N 0 0 316.735 3.476 10 30 DGEERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(C)(C)CCC#N)C1 ZINC000195088814 656208840 /nfs/dbraw/zinc/20/88/40/656208840.db2.gz QHCKJOFJGLMGTD-LSDHHAIUSA-N 0 0 322.449 3.144 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000722338084 656456146 /nfs/dbraw/zinc/45/61/46/656456146.db2.gz RPSZHUODBVAZOB-OLZOCXBDSA-N 0 0 322.206 3.085 10 30 DGEERN C=CCC1(O)CCN(C(=O)c2cscc2C(F)F)CC1 ZINC000717486357 661265358 /nfs/dbraw/zinc/26/53/58/661265358.db2.gz RPIWKRAAIXYLSS-UHFFFAOYSA-N 0 0 301.358 3.229 10 30 DGEERN COc1cccc(/C=N/[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000074374587 661286221 /nfs/dbraw/zinc/28/62/21/661286221.db2.gz LDLBHYKSISTAFM-UOEVCUDDSA-N 0 0 324.380 3.015 10 30 DGEERN COC1(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)CCCCC1 ZINC000187388261 661287226 /nfs/dbraw/zinc/28/72/26/661287226.db2.gz SRKJOBWEGZDOJX-HNNXBMFYSA-N 0 0 319.376 3.400 10 30 DGEERN Cc1nc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c(C)s1 ZINC000178734678 657032362 /nfs/dbraw/zinc/03/23/62/657032362.db2.gz PCEYWAUNOZHCOR-ZDUSSCGKSA-N 0 0 318.373 3.438 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cnn(CC(C)C)c1C ZINC000191131126 657370245 /nfs/dbraw/zinc/37/02/45/657370245.db2.gz DEHZOKTWZZQUSY-QGZVFWFLSA-N 0 0 308.422 3.233 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000185723708 657401494 /nfs/dbraw/zinc/40/14/94/657401494.db2.gz VGGAKXPZOZCQCA-MRXNPFEDSA-N 0 0 312.413 3.069 10 30 DGEERN C=C(CNC(=O)c1coc(Br)c1)c1ccccc1 ZINC000345718701 657502089 /nfs/dbraw/zinc/50/20/89/657502089.db2.gz WMOAUSDWHNWTCJ-UHFFFAOYSA-N 0 0 306.159 3.485 10 30 DGEERN C#CCOc1ccccc1/C=C1\N=C(c2cccs2)OC1=O ZINC000096544950 657533525 /nfs/dbraw/zinc/53/35/25/657533525.db2.gz YTHSQFOXXXKQHE-QBFSEMIESA-N 0 0 309.346 3.105 10 30 DGEERN C=CCNC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000304942494 657659604 /nfs/dbraw/zinc/65/96/04/657659604.db2.gz OCDBXUXJRHGABQ-HNNXBMFYSA-N 0 0 316.426 3.179 10 30 DGEERN COc1cccc2c1OC/C(=C\c1ccc(N(C)C)cc1)C2=O ZINC000098125372 657912314 /nfs/dbraw/zinc/91/23/14/657912314.db2.gz FVRIPISKHKSSHM-SDNWHVSQSA-N 0 0 309.365 3.420 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccccc1[N+](=O)[O-])C2=O ZINC000098125379 657912389 /nfs/dbraw/zinc/91/23/89/657912389.db2.gz QEHXSVJZLMODGW-XFXZXTDPSA-N 0 0 311.293 3.262 10 30 DGEERN C=CCC1(c2nc(Cc3ccc4n[nH]cc4c3)no2)CCOCC1 ZINC000351302569 657951693 /nfs/dbraw/zinc/95/16/93/657951693.db2.gz VZMSCYKLLPGSLU-UHFFFAOYSA-N 0 0 324.384 3.161 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000435696370 658771056 /nfs/dbraw/zinc/77/10/56/658771056.db2.gz JDWKGISIJKLGMC-UHFFFAOYSA-N 0 0 313.405 3.058 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2ccnc3[nH]c(C)nc32)c1 ZINC000435701971 658771642 /nfs/dbraw/zinc/77/16/42/658771642.db2.gz WCOXOZMRHQDNRQ-UHFFFAOYSA-N 0 0 322.368 3.474 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000080384077 658882590 /nfs/dbraw/zinc/88/25/90/658882590.db2.gz RVIZARILZSMYOM-LBPRGKRZSA-N 0 0 302.157 3.464 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1CCCC1 ZINC000163926079 658908986 /nfs/dbraw/zinc/90/89/86/658908986.db2.gz AHJXZFSTLPGGFI-HUUCEWRRSA-N 0 0 303.352 3.473 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCN(c2ccccc2)C1 ZINC000187604046 658911557 /nfs/dbraw/zinc/91/15/57/658911557.db2.gz AUTUONXKJSYQCD-LPHOPBHVSA-N 0 0 317.429 3.285 10 30 DGEERN CC(C)(C)SCCCC(=O)NCCOc1ccc(C#N)cc1 ZINC000156421969 658919642 /nfs/dbraw/zinc/91/96/42/658919642.db2.gz JUXOJXBPBDVJFP-UHFFFAOYSA-N 0 0 320.458 3.365 10 30 DGEERN COc1cccc2c1ncc(C#N)c2NCCCn1ccnc1C ZINC000223152445 658964687 /nfs/dbraw/zinc/96/46/87/658964687.db2.gz QNCDFFJLJYIHPB-UHFFFAOYSA-N 0 0 321.384 3.122 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000157638567 659074625 /nfs/dbraw/zinc/07/46/25/659074625.db2.gz HQAIHLXWBUILSL-UHFFFAOYSA-N 0 0 322.364 3.281 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)/C=C/c1ccccc1C#N ZINC000171519164 659284537 /nfs/dbraw/zinc/28/45/37/659284537.db2.gz GVPSZPLHNYSNJP-DOJUMQAQSA-N 0 0 312.413 3.379 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cccnc1Cl)C2=O ZINC000171541146 659286723 /nfs/dbraw/zinc/28/67/23/659286723.db2.gz XKACQICBHFGHGC-DHZHZOJOSA-N 0 0 301.729 3.402 10 30 DGEERN N#CCOc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000061966930 659298713 /nfs/dbraw/zinc/29/87/13/659298713.db2.gz MFCWEOISZWQKDP-UHFFFAOYSA-N 0 0 321.130 3.197 10 30 DGEERN C=C(Br)COC(=O)C[C@H]1CCOc2ccccc21 ZINC000172236198 659325542 /nfs/dbraw/zinc/32/55/42/659325542.db2.gz OMKLPUVLNZFIPV-LLVKDONJSA-N 0 0 311.175 3.395 10 30 DGEERN C=CCOC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000062697260 659343638 /nfs/dbraw/zinc/34/36/38/659343638.db2.gz LTGIBZAHDJXVOF-UHFFFAOYSA-N 0 0 317.414 3.212 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000172831480 659358159 /nfs/dbraw/zinc/35/81/59/659358159.db2.gz LWOCPAIRFUEOSY-UHFFFAOYSA-N 0 0 319.389 3.463 10 30 DGEERN C=CCCCN(C)C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000173614961 659393862 /nfs/dbraw/zinc/39/38/62/659393862.db2.gz MBBHZSCFGOCTHI-AWEZNQCLSA-N 0 0 310.438 3.201 10 30 DGEERN N#C[C@H](COC(=O)CCC1CCOCC1)Cc1ccc(F)cc1 ZINC000174118114 659413571 /nfs/dbraw/zinc/41/35/71/659413571.db2.gz LKLWWBXLUVHDDB-MRXNPFEDSA-N 0 0 319.376 3.258 10 30 DGEERN C#CCOc1cccc(COC(=O)CC[C@H]2CC[C@@H](C)O2)c1 ZINC000174217526 659420917 /nfs/dbraw/zinc/42/09/17/659420917.db2.gz PEDGJKBCHXZARE-GDBMZVCRSA-N 0 0 302.370 3.090 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000089320383 659617523 /nfs/dbraw/zinc/61/75/23/659617523.db2.gz SWXQBPACGFFAKY-CYBMUJFWSA-N 0 0 303.406 3.244 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174752337 659627299 /nfs/dbraw/zinc/62/72/99/659627299.db2.gz XIWQNPREUSAUEJ-DOMZBBRYSA-N 0 0 312.369 3.132 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000175177634 659916904 /nfs/dbraw/zinc/91/69/04/659916904.db2.gz RQOXHJUJKXYQJC-MDZDMXLPSA-N 0 0 303.314 3.077 10 30 DGEERN N#C[C@H](COC(=O)COC1CCCCC1)Cc1ccccc1 ZINC000175357954 659919258 /nfs/dbraw/zinc/91/92/58/659919258.db2.gz QGOFHIWSJLIQHM-MRXNPFEDSA-N 0 0 301.386 3.261 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000175701991 659927752 /nfs/dbraw/zinc/92/77/52/659927752.db2.gz HOZZVWSMDCPVBL-QWHCGFSZSA-N 0 0 306.192 3.192 10 30 DGEERN O=C(CSCC(F)(F)F)Oc1c(F)c(F)cc(F)c1F ZINC000179455945 659929372 /nfs/dbraw/zinc/92/93/72/659929372.db2.gz SYSBWEVBXXMPQA-UHFFFAOYSA-N 0 0 322.201 3.444 10 30 DGEERN Cc1noc(C)c1CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179853860 659943373 /nfs/dbraw/zinc/94/33/73/659943373.db2.gz JRFZQQILLDIOFW-UHFFFAOYSA-N 0 0 309.369 3.119 10 30 DGEERN CCCCCCCCCN(C)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000179870747 659944520 /nfs/dbraw/zinc/94/45/20/659944520.db2.gz GOVACCPYPWSFLQ-UHFFFAOYSA-N 0 0 320.437 3.395 10 30 DGEERN COc1ccccc1[C@H](O)CNc1ccc2cc(C#N)ccc2n1 ZINC000179886132 659945772 /nfs/dbraw/zinc/94/57/72/659945772.db2.gz VSZDFGQKWINJND-QGZVFWFLSA-N 0 0 319.364 3.261 10 30 DGEERN COc1cccc(CC(=O)OC[C@@H](C#N)Cc2cccs2)c1 ZINC000180074473 659951080 /nfs/dbraw/zinc/95/10/80/659951080.db2.gz IIJMZWZXZDUZNY-CQSZACIVSA-N 0 0 315.394 3.225 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1sc(-c2ncccn2)nc1C ZINC000180159837 659953284 /nfs/dbraw/zinc/95/32/84/659953284.db2.gz JJUWBWCCKYPMJV-SNVBAGLBSA-N 0 0 303.387 3.420 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000068492097 659954906 /nfs/dbraw/zinc/95/49/06/659954906.db2.gz RVWMLDGBAAATJK-OAHLLOKOSA-N 0 0 315.319 3.433 10 30 DGEERN N#C[C@H](COC(=O)CCc1ccco1)Cc1ccc(F)cc1 ZINC000068491535 659954924 /nfs/dbraw/zinc/95/49/24/659954924.db2.gz QRRRWVDDKHKXOI-CQSZACIVSA-N 0 0 301.317 3.277 10 30 DGEERN C#CCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000180352436 659959536 /nfs/dbraw/zinc/95/95/36/659959536.db2.gz PIXLILNYUQCHMD-UHFFFAOYSA-N 0 0 306.358 3.063 10 30 DGEERN C#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000069058067 659974450 /nfs/dbraw/zinc/97/44/50/659974450.db2.gz WUXRYBLLBFRYSO-LJQANCHMSA-N 0 0 318.376 3.428 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1ccccc1OCc1noc(C)n1 ZINC000181253326 659989758 /nfs/dbraw/zinc/98/97/58/659989758.db2.gz XYKOHGIRLZGJKF-LBPRGKRZSA-N 0 0 302.330 3.078 10 30 DGEERN CCCCCNC(=O)[C@@H](C#N)C(=O)CCCc1ccc(C)cc1 ZINC000069912415 660028388 /nfs/dbraw/zinc/02/83/88/660028388.db2.gz KGFYTFMDSOROSP-KRWDZBQOSA-N 0 0 314.429 3.333 10 30 DGEERN COc1cc(C)nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182315650 660042311 /nfs/dbraw/zinc/04/23/11/660042311.db2.gz IVVZGCLJAZGVAX-UHFFFAOYSA-N 0 0 322.364 3.311 10 30 DGEERN CC(=O)c1ccc(OCCCC(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000182910672 660088460 /nfs/dbraw/zinc/08/84/60/660088460.db2.gz ZPKYIXWKOUNQCL-INIZCTEOSA-N 0 0 303.358 3.140 10 30 DGEERN C=CC[C@@H](OC(=O)CCNC(=O)C(C)(C)C)c1ccccc1 ZINC000189230323 660107514 /nfs/dbraw/zinc/10/75/14/660107514.db2.gz NUUDCFZEWLJDTM-OAHLLOKOSA-N 0 0 303.402 3.399 10 30 DGEERN N#CC1(COC(=O)c2ccc(-c3ncon3)cc2)CCCCC1 ZINC000183691610 660130703 /nfs/dbraw/zinc/13/07/03/660130703.db2.gz AODSIZQLTPMSEH-UHFFFAOYSA-N 0 0 311.341 3.367 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000183695546 660131221 /nfs/dbraw/zinc/13/12/21/660131221.db2.gz IICYECIZRMDCBI-ZKQHCESOSA-N 0 0 302.330 3.480 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)OCC3(C#N)CCC3)cc2)n1 ZINC000183866207 660145227 /nfs/dbraw/zinc/14/52/27/660145227.db2.gz UXDRZDXHFRYIRP-UHFFFAOYSA-N 0 0 323.396 3.399 10 30 DGEERN N#CC1(COC(=O)Cc2coc(-c3ccc(F)cc3)n2)CCC1 ZINC000183903989 660146424 /nfs/dbraw/zinc/14/64/24/660146424.db2.gz XLGQMVLOFKKOLD-UHFFFAOYSA-N 0 0 314.316 3.260 10 30 DGEERN Cc1[nH]c2ccc(C(=O)OCC3(C#N)CCOCC3)cc2c1C ZINC000183921691 660147933 /nfs/dbraw/zinc/14/79/33/660147933.db2.gz FWHZGDWSEIZFRR-UHFFFAOYSA-N 0 0 312.369 3.262 10 30 DGEERN C[C@H](CC(=O)OCC1(C#N)CCOCC1)c1cccc(F)c1 ZINC000183931151 660148135 /nfs/dbraw/zinc/14/81/35/660148135.db2.gz KQQHYWJAKJNAQM-CYBMUJFWSA-N 0 0 305.349 3.183 10 30 DGEERN CC(C)(C)Oc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183964573 660150484 /nfs/dbraw/zinc/15/04/84/660150484.db2.gz BBTWSLVERXODLY-UHFFFAOYSA-N 0 0 317.385 3.341 10 30 DGEERN CC(C)(Cc1ccccc1)C(=O)OCC1(C#N)CCOCC1 ZINC000183971113 660150847 /nfs/dbraw/zinc/15/08/47/660150847.db2.gz KGYXRXVGACPHBG-UHFFFAOYSA-N 0 0 301.386 3.119 10 30 DGEERN N#CC1(COC(=O)CCCc2ccc(F)c(F)c2)CCOCC1 ZINC000183975703 660151115 /nfs/dbraw/zinc/15/11/15/660151115.db2.gz KGKJJHXFZCDJOI-UHFFFAOYSA-N 0 0 323.339 3.151 10 30 DGEERN CCSCc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183988820 660151842 /nfs/dbraw/zinc/15/18/42/660151842.db2.gz YSQRVGAJYZGDCT-UHFFFAOYSA-N 0 0 319.426 3.417 10 30 DGEERN C=CCCC(=O)O[C@@H](CC(=O)OCC)c1ccc(F)c(F)c1 ZINC000184532841 660171598 /nfs/dbraw/zinc/17/15/98/660171598.db2.gz GHUBFQLSXLWNNL-AWEZNQCLSA-N 0 0 312.312 3.469 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc(OC(C)C)n1 ZINC000187499135 661717857 /nfs/dbraw/zinc/71/78/57/661717857.db2.gz NIUOZEFGVYWTNE-KRWDZBQOSA-N 0 0 307.390 3.254 10 30 DGEERN C=C[C@@H](C)OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000187523039 661748334 /nfs/dbraw/zinc/74/83/34/661748334.db2.gz CASBJQSPSVOGKG-SECBINFHSA-N 0 0 311.263 3.017 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cccc(C[S@](C)=O)c1)C1CC1 ZINC000159529638 661889961 /nfs/dbraw/zinc/88/99/61/661889961.db2.gz YOVPWHTZGRXVEL-IIBYNOLFSA-N 0 0 306.427 3.467 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1C)C1CC1 ZINC000159713289 661893881 /nfs/dbraw/zinc/89/38/81/661893881.db2.gz KARTYHDMEINPBI-MRXNPFEDSA-N 0 0 322.426 3.300 10 30 DGEERN C#CC[C@H](OC(=O)Cc1cc(C(C)=O)ccc1OC)C(C)(C)C ZINC000159800221 661895481 /nfs/dbraw/zinc/89/54/81/661895481.db2.gz MMORDMONJOKOEU-KRWDZBQOSA-N 0 0 316.397 3.422 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)c(CC)o1 ZINC000160005027 661899173 /nfs/dbraw/zinc/89/91/73/661899173.db2.gz TXMYALONFDUXDI-UHFFFAOYSA-N 0 0 312.369 3.319 10 30 DGEERN C=C[C@@H](C)OC(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000187568700 661899207 /nfs/dbraw/zinc/89/92/07/661899207.db2.gz NUONMUWJILPMRN-CYBMUJFWSA-N 0 0 314.385 3.318 10 30 DGEERN C=CCc1cc(C(=O)O[C@@H](CC)CC#N)cc(OC)c1OC ZINC000187959828 661909437 /nfs/dbraw/zinc/90/94/37/661909437.db2.gz NCNWQOKCYMMISH-AWEZNQCLSA-N 0 0 303.358 3.281 10 30 DGEERN CC[C@@H](CC#N)OC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000187974503 661909998 /nfs/dbraw/zinc/90/99/98/661909998.db2.gz KCMZNNYNMCTISY-INIZCTEOSA-N 0 0 301.386 3.279 10 30 DGEERN CC(C)(C)OC(=O)N(CC(=O)O[C@@H](C#N)C(C)(C)C)CC1CC1 ZINC000189128114 661964977 /nfs/dbraw/zinc/96/49/77/661964977.db2.gz TUHAYHUOQGPTKC-ZDUSSCGKSA-N 0 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CBPNWGMANSWFFT-SNAWJCMRSA-N 0 0 321.311 3.250 10 30 DGEERN C=CC[C@@]1(C(=O)N[C@H](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000191132213 662055123 /nfs/dbraw/zinc/05/51/23/662055123.db2.gz UUEPQWVXAMXBCS-ACJLOTCBSA-N 0 0 322.449 3.247 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000191153675 662055326 /nfs/dbraw/zinc/05/53/26/662055326.db2.gz NFPDTTDCONBABX-QGZVFWFLSA-N 0 0 323.364 3.170 10 30 DGEERN C=C(Br)CNC(=O)c1sc(CC2CC2)nc1C ZINC000191455915 662067399 /nfs/dbraw/zinc/06/73/99/662067399.db2.gz WCLGXQTVDSOMON-UHFFFAOYSA-N 0 0 315.236 3.042 10 30 DGEERN Cn1c2ccc(/C=C/C(=O)c3cccc(C#N)c3)cc2sc1=O ZINC000191494296 662069404 /nfs/dbraw/zinc/06/94/04/662069404.db2.gz KJCRTHPRTCCWCX-SOFGYWHQSA-N 0 0 320.373 3.368 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OCc1nccn1-c1ccccc1 ZINC000192174041 662090126 /nfs/dbraw/zinc/09/01/26/662090126.db2.gz WZVMVEQZJUKBHF-GOSISDBHSA-N 0 0 314.385 3.144 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1c(C)nn(CC(C)C)c1C)C1CC1 ZINC000079207220 662103608 /nfs/dbraw/zinc/10/36/08/662103608.db2.gz VVICBXLPOQMHMK-QGZVFWFLSA-N 0 0 302.418 3.044 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000079210069 662103956 /nfs/dbraw/zinc/10/39/56/662103956.db2.gz BEHQGTLRWMNUOZ-OAHLLOKOSA-N 0 0 316.307 3.109 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)CC(=O)c1cccc(F)c1)C1CC1 ZINC000079209155 662103966 /nfs/dbraw/zinc/10/39/66/662103966.db2.gz NNJCLYFKLCCQMZ-PXAZEXFGSA-N 0 0 302.345 3.380 10 30 DGEERN C#CC[C@H](OC(=O)CCCc1nnc(-c2ccccc2)o1)C1CC1 ZINC000079210230 662104013 /nfs/dbraw/zinc/10/40/13/662104013.db2.gz UVDQRWBBPFNEIK-INIZCTEOSA-N 0 0 324.380 3.404 10 30 DGEERN CC#CCCCC(=O)OCC1(c2ccccc2)CCOCC1 ZINC000193331625 662130774 /nfs/dbraw/zinc/13/07/74/662130774.db2.gz NGQVVOHNMBHNLS-UHFFFAOYSA-N 0 0 300.398 3.472 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1ccnc(C#N)c1 ZINC000193520868 662136995 /nfs/dbraw/zinc/13/69/95/662136995.db2.gz NILRLYDHOVISBM-UHFFFAOYSA-N 0 0 308.337 3.300 10 30 DGEERN CC(C)(C)SCC(=O)NCCSCc1ccccc1C#N ZINC000194536636 662168008 /nfs/dbraw/zinc/16/80/08/662168008.db2.gz UWLMRDXQCRHYDQ-UHFFFAOYSA-N 0 0 322.499 3.439 10 30 DGEERN C=C(Br)CNC(=O)C(C)(C)c1ccccc1F ZINC000194837258 662174266 /nfs/dbraw/zinc/17/42/66/662174266.db2.gz LBURDPWQBUCFIP-UHFFFAOYSA-N 0 0 300.171 3.128 10 30 DGEERN COc1cccc(CO[C@H](C)C(=O)OCC(C)(C)CCC#N)c1 ZINC000195040870 662177055 /nfs/dbraw/zinc/17/70/55/662177055.db2.gz UIUIOVKDYYZKKS-CQSZACIVSA-N 0 0 319.401 3.473 10 30 DGEERN CC(C)(CCC#N)COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000195056823 662177342 /nfs/dbraw/zinc/17/73/42/662177342.db2.gz UYZGEILRJKZUQE-GFCCVEGCSA-N 0 0 320.355 3.134 10 30 DGEERN Cc1cc(COC(=O)c2cc(C#N)cn2C)c2ccccc2n1 ZINC000083687533 662195958 /nfs/dbraw/zinc/19/59/58/662195958.db2.gz XENNLCPZFBBETD-UHFFFAOYSA-N 0 0 305.337 3.110 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC000083780976 662196634 /nfs/dbraw/zinc/19/66/34/662196634.db2.gz IIOSFIFWCQPCIS-INIZCTEOSA-N 0 0 318.344 3.142 10 30 DGEERN C[C@@H]1CC[C@@H](CCC(=O)OC[C@H](C#N)Cc2cccs2)O1 ZINC000089295124 662241028 /nfs/dbraw/zinc/24/10/28/662241028.db2.gz PFCUQBXVNNSMBR-RDBSUJKOSA-N 0 0 307.415 3.321 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000089317797 662241817 /nfs/dbraw/zinc/24/18/17/662241817.db2.gz YKWVAMQHOZNRFM-UKRRQHHQSA-N 0 0 321.442 3.180 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccccc1OCc1noc(C)n1 ZINC000089320283 662241937 /nfs/dbraw/zinc/24/19/37/662241937.db2.gz NBWIBILCPZFWLI-LBPRGKRZSA-N 0 0 316.357 3.469 10 30 DGEERN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246151467 662248751 /nfs/dbraw/zinc/24/87/51/662248751.db2.gz PEAIPXMDIWGIPS-MJBXVCDLSA-N 0 0 302.761 3.033 10 30 DGEERN C[C@@H]1CC[C@H](CCC(=O)OC[C@@H](C#N)Cc2ccccc2)O1 ZINC000247328880 662311977 /nfs/dbraw/zinc/31/19/77/662311977.db2.gz YJXUTOONZNFHKE-DJIMGWMZSA-N 0 0 301.386 3.260 10 30 DGEERN Cc1cc(C(=O)N[C@@H](C#N)C(C)C)sc1Br ZINC000081754232 1176288979 /nfs/dbraw/zinc/28/89/79/1176288979.db2.gz IUJXDNVAEXDUMN-QMMMGPOBSA-N 0 0 301.209 3.097 10 30 DGEERN CCN(CC(C)(C)O)c1ccc(C#N)c(Br)c1F ZINC000231847316 1176812818 /nfs/dbraw/zinc/81/28/18/1176812818.db2.gz UMGJLDPWRHNGAE-UHFFFAOYSA-N 0 0 315.186 3.057 10 30 DGEERN Cc1cc(C(=O)N(C)[C@@H](C)CC#N)sc1Br ZINC000081747755 1197246199 /nfs/dbraw/zinc/24/61/99/1197246199.db2.gz HQLBTHPXBJMHBR-QMMMGPOBSA-N 0 0 301.209 3.193 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccc(Br)cc1N ZINC000381006445 1197704676 /nfs/dbraw/zinc/70/46/76/1197704676.db2.gz KBMFIMXCLKQDDV-UHFFFAOYSA-N 0 0 311.223 3.363 10 30 DGEERN CO[C@@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@H]1C ZINC000300296703 1199351339 /nfs/dbraw/zinc/35/13/39/1199351339.db2.gz ZGDBZIAJPNXVES-QMTHXVAHSA-N 0 0 309.207 3.182 10 30 DGEERN C=C(C)CONC(=O)c1cc(Cl)cc(Br)c1 ZINC000400910664 1199374217 /nfs/dbraw/zinc/37/42/17/1199374217.db2.gz AESOMPMVGQNLBO-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN N#Cc1ccccc1NC(=O)c1nscc1Br ZINC000404931382 1199589415 /nfs/dbraw/zinc/58/94/15/1199589415.db2.gz JKKFPHVWIMTTGY-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN CO[C@@H](C)CCNc1ccc(C#N)c(Br)c1F ZINC000310471855 1199721082 /nfs/dbraw/zinc/72/10/82/1199721082.db2.gz IQWAGHFLWYMZID-QMMMGPOBSA-N 0 0 301.159 3.297 10 30 DGEERN N#Cc1cc(Br)cnc1NCc1ccccc1O ZINC000310886293 1199731851 /nfs/dbraw/zinc/73/18/51/1199731851.db2.gz JJOPXCMUHAHTCF-UHFFFAOYSA-N 0 0 304.147 3.033 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000432563618 1199836457 /nfs/dbraw/zinc/83/64/57/1199836457.db2.gz UPIKOQITBWZDRN-CVEARBPZSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1sccc1-c1ccccc1 ZINC000320511366 1199847574 /nfs/dbraw/zinc/84/75/74/1199847574.db2.gz NBHUJONHEYOOSR-CQSZACIVSA-N 0 0 301.411 3.472 10 30 DGEERN C=CCCOCCNC(=O)N(Cc1ccccc1F)C1CCC1 ZINC000122721031 1200271647 /nfs/dbraw/zinc/27/16/47/1200271647.db2.gz RJOGKHRZZVWYNL-UHFFFAOYSA-N 0 0 320.408 3.483 10 30 DGEERN CCN(C[C@@H]1CCCO1)c1cc(Br)ccc1C#N ZINC000123145681 1200275348 /nfs/dbraw/zinc/27/53/48/1200275348.db2.gz WFCDCHXDTXSION-ZDUSSCGKSA-N 0 0 309.207 3.326 10 30 DGEERN C=CCOc1cccc(CNc2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC000151773902 1202593104 /nfs/dbraw/zinc/59/31/04/1202593104.db2.gz TYZCMACHQCSVMD-UHFFFAOYSA-N 0 0 322.408 3.492 10 30 DGEERN CCc1cnc(CNc2cc(Br)ccc2C#N)o1 ZINC000231651845 1202599965 /nfs/dbraw/zinc/59/99/65/1202599965.db2.gz SBGHEXCOCJCVDG-UHFFFAOYSA-N 0 0 306.163 3.483 10 30 DGEERN N#Cc1ccc(Br)cc1N[C@@H]1CCO[C@H]1C1CC1 ZINC000232478902 1202601589 /nfs/dbraw/zinc/60/15/89/1202601589.db2.gz CCYKNUNOAUAXPH-OCCSQVGLSA-N 0 0 307.191 3.300 10 30 DGEERN CCOC(=O)C[C@H](C)Nc1cc(Br)ccc1C#N ZINC000233684741 1202602959 /nfs/dbraw/zinc/60/29/59/1202602959.db2.gz DLVXCHQLMLMXIW-VIFPVBQESA-N 0 0 311.179 3.074 10 30 DGEERN C[C@H](Nc1cc(Br)ccc1C#N)c1cnn(C)c1 ZINC000235552393 1202604514 /nfs/dbraw/zinc/60/45/14/1202604514.db2.gz GPEGQWIRKDNFKM-VIFPVBQESA-N 0 0 305.179 3.227 10 30 DGEERN COc1ccc(/C(C)=C/C(=O)NC2(C#N)CCSCC2)cc1 ZINC000162560508 1203461933 /nfs/dbraw/zinc/46/19/33/1203461933.db2.gz GVCPQEZPANZCQZ-ACCUITESSA-N 0 0 316.426 3.004 10 30 DGEERN COc1ccc(/C(C)=C\C(=O)NCc2cccc(C#N)c2)cc1 ZINC000255225317 1203838582 /nfs/dbraw/zinc/83/85/82/1203838582.db2.gz WBOAYQILWWONHT-UVTDQMKNSA-N 0 0 306.365 3.287 10 30 DGEERN N#Cc1cc(Cl)ccc1NCCN1C(=O)Cc2ccccc21 ZINC000171563243 1203851793 /nfs/dbraw/zinc/85/17/93/1203851793.db2.gz BYXNHRSWEIHAEB-UHFFFAOYSA-N 0 0 311.772 3.213 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000173062426 1203879771 /nfs/dbraw/zinc/87/97/71/1203879771.db2.gz BOXWBVAEKHIHIY-UHFFFAOYSA-N 0 0 305.374 3.175 10 30 DGEERN C[C@@H](ON=C1CCCOCC1)c1nnc(-c2ccccc2)o1 ZINC000588398449 1082140773 /nfs/dbraw/zinc/14/07/73/1082140773.db2.gz FKNXYJJOFNCOJX-GFCCVEGCSA-N 0 0 301.346 3.371 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)/C=C\c1ncccc1C ZINC000588451679 1082328245 /nfs/dbraw/zinc/32/82/45/1082328245.db2.gz SCLIQWMWUFOQIL-CLFYSBASSA-N 0 0 308.337 3.279 10 30 DGEERN Cc1cccnc1/C=C\C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000588456522 1082334296 /nfs/dbraw/zinc/33/42/96/1082334296.db2.gz VFXNUTNTMJEAPK-HLRDLLSLSA-N 0 0 324.355 3.468 10 30 DGEERN N#CCc1cccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000588589950 1082824031 /nfs/dbraw/zinc/82/40/31/1082824031.db2.gz GADLAYZTHLFSMA-LUAWRHEFSA-N 0 0 317.341 3.271 10 30 DGEERN N#Cc1cccc(NC(=O)c2cc(Br)ccc2N)c1 ZINC000071697829 1083586932 /nfs/dbraw/zinc/58/69/32/1083586932.db2.gz CJCZZRAJCRTGLY-UHFFFAOYSA-N 0 0 316.158 3.155 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1csc(Br)n1 ZINC000709591216 1083720462 /nfs/dbraw/zinc/72/04/62/1083720462.db2.gz QEKXXZAKPQUCHV-MRVPVSSYSA-N 0 0 303.225 3.380 10 30 DGEERN CCOC(=O)c1cccc(OC(=O)c2cc(C#N)cs2)c1 ZINC000176457442 1087775173 /nfs/dbraw/zinc/77/51/73/1087775173.db2.gz RCOBAEYDMHKHLC-UHFFFAOYSA-N 0 0 301.323 3.016 10 30 DGEERN C=CCCCC(=O)OC[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000176566648 1087987669 /nfs/dbraw/zinc/98/76/69/1087987669.db2.gz WZSFZEPQUKFCPE-OAHLLOKOSA-N 0 0 319.401 3.340 10 30 DGEERN C=CCCOCCN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000180656675 1093862010 /nfs/dbraw/zinc/86/20/10/1093862010.db2.gz NRFZQWVZBOIOBT-MRXNPFEDSA-N 0 0 319.836 3.345 10 30 DGEERN CN(Cc1ccns1)Cc1ccc(Br)cc1C#N ZINC000404419407 1094255895 /nfs/dbraw/zinc/25/58/95/1094255895.db2.gz BKBSFOHWJDGJBQ-UHFFFAOYSA-N 0 0 322.231 3.409 10 30 DGEERN COC(=O)C1CCC(C(=O)O[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181219962 199266889 /nfs/dbraw/zinc/26/68/89/199266889.db2.gz SYKDPRUAMOZXCL-UWTIGNOOSA-N 0 0 315.369 3.142 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC000077279911 334925766 /nfs/dbraw/zinc/92/57/66/334925766.db2.gz QNARGOMTPHHQHF-UHFFFAOYSA-N 0 0 303.406 3.256 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000278273933 214060989 /nfs/dbraw/zinc/06/09/89/214060989.db2.gz AIXGEQFSAPFTHJ-KGLIPLIRSA-N 0 0 306.381 3.193 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000076650482 185028629 /nfs/dbraw/zinc/02/86/29/185028629.db2.gz GKMMFPLSHPYEBB-TZMCWYRMSA-N 0 0 318.392 3.458 10 30 DGEERN COc1ccc(Br)cc1CN[C@H]1CCC[C@@H]1C#N ZINC000061891769 432002747 /nfs/dbraw/zinc/00/27/47/432002747.db2.gz BZASJOHOXVZBMS-MFKMUULPSA-N 0 0 309.207 3.240 10 30 DGEERN C=CCN(CCc1ccco1)Cc1c(Br)cnn1C ZINC000278538689 214222156 /nfs/dbraw/zinc/22/21/56/214222156.db2.gz CJNJFJXLGXTIHX-UHFFFAOYSA-N 0 0 324.222 3.006 10 30 DGEERN N#Cc1csc(CNCc2ccsc2Br)n1 ZINC000309584784 231098901 /nfs/dbraw/zinc/09/89/01/231098901.db2.gz UWHCVINMHJOBBH-UHFFFAOYSA-N 0 0 314.233 3.129 10 30 DGEERN C=CCCCN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279258316 214743348 /nfs/dbraw/zinc/74/33/48/214743348.db2.gz IXWQLSWMIKBRAO-UHFFFAOYSA-N 0 0 314.744 3.354 10 30 DGEERN CCCCn1c(C)c(C)nc1[S@@](=O)Cc1ccc(C#N)cc1 ZINC000083079445 185212798 /nfs/dbraw/zinc/21/27/98/185212798.db2.gz LOLQBWIJJOSJIW-JOCHJYFZSA-N 0 0 315.442 3.480 10 30 DGEERN C=CCN(Cc1c(C)noc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297726 432004558 /nfs/dbraw/zinc/00/45/58/432004558.db2.gz UQFYVBBSPZENIN-UHFFFAOYSA-N 0 0 301.346 3.388 10 30 DGEERN CCc1c(C)sc(NC(=O)c2cc(C)nc(OC)c2)c1C#N ZINC000443533361 529492418 /nfs/dbraw/zinc/49/24/18/529492418.db2.gz QANMEZHDNLOULZ-UHFFFAOYSA-N 0 0 315.398 3.455 10 30 DGEERN CCc1cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)oc1CC ZINC000163067590 529521302 /nfs/dbraw/zinc/52/13/02/529521302.db2.gz UZNKZCNGCAMIJC-UHFFFAOYSA-N 0 0 314.389 3.480 10 30 DGEERN CCc1cc(NC(=O)C(=O)Nc2cccc(C#N)c2)ccc1C ZINC000190182646 529540930 /nfs/dbraw/zinc/54/09/30/529540930.db2.gz ZIPREBHPMZJWGY-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1noc(C2CC2)n1 ZINC000063533877 432005569 /nfs/dbraw/zinc/00/55/69/432005569.db2.gz QXSKDTIVAAHAMC-UHFFFAOYSA-N 0 0 301.302 3.163 10 30 DGEERN CCc1cnccc1[C@H](C)NC(=O)C[C@@H](C)N1CCCCC1=O ZINC000328737762 529678752 /nfs/dbraw/zinc/67/87/52/529678752.db2.gz HDHZCROENAKVJU-KGLIPLIRSA-N 0 0 317.433 3.453 10 30 DGEERN CCc1csc([C@H]2CCCN(C(=O)NCCCCC#N)C2)n1 ZINC000172263308 529692692 /nfs/dbraw/zinc/69/26/92/529692692.db2.gz YQVUJHGQDCIURJ-ZDUSSCGKSA-N 0 0 320.462 3.288 10 30 DGEERN CN1CC[C@@H](CNC(=O)C2(C#N)CCCCC2)c2ccccc21 ZINC000057397572 529792725 /nfs/dbraw/zinc/79/27/25/529792725.db2.gz UIZNKJILPGPFKQ-HNNXBMFYSA-N 0 0 311.429 3.200 10 30 DGEERN CN(Cc1ccc(F)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151104889 529987928 /nfs/dbraw/zinc/98/79/28/529987928.db2.gz KHZVMZUHOIOQNB-UHFFFAOYSA-N 0 0 304.271 3.248 10 30 DGEERN CCc1nc(CNC(=O)Nc2ccc(F)c(C#N)c2)cs1 ZINC000107818375 185493364 /nfs/dbraw/zinc/49/33/64/185493364.db2.gz FVEDQHDZPLPVJJ-UHFFFAOYSA-N 0 0 304.350 3.038 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000277810919 213787315 /nfs/dbraw/zinc/78/73/15/213787315.db2.gz YGDXTZDZEQLMFZ-XIRDDKMYSA-N 0 0 302.418 3.418 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCc2ccc(Br)cc21 ZINC000277753956 213742687 /nfs/dbraw/zinc/74/26/87/213742687.db2.gz RTBKFIILQNIFAF-UHFFFAOYSA-N 0 0 316.198 3.001 10 30 DGEERN COc1cccc2c1CC[C@H]2NC(=O)c1ccc(C#N)cc1C ZINC000130221996 432017441 /nfs/dbraw/zinc/01/74/41/432017441.db2.gz RKGDCPNEGVTNDY-QGZVFWFLSA-N 0 0 306.365 3.293 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000448982589 282566232 /nfs/dbraw/zinc/56/62/32/282566232.db2.gz CQIBHIZIFJYYLC-LJQANCHMSA-N 0 0 307.397 3.091 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000451677354 282566830 /nfs/dbraw/zinc/56/68/30/282566830.db2.gz BXFFMSOLVCIRSG-KSZLIROESA-N 0 0 319.408 3.305 10 30 DGEERN CC(C)COc1ccc(CC(=O)NC2(C#N)CCCC2)cc1 ZINC000106772872 432021628 /nfs/dbraw/zinc/02/16/28/432021628.db2.gz OGAAFNDOSWWILT-UHFFFAOYSA-N 0 0 300.402 3.216 10 30 DGEERN N#Cc1ccc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000253394801 186304312 /nfs/dbraw/zinc/30/43/12/186304312.db2.gz LNJBCNIZQSNVOI-PBHICJAKSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000172119459 198042516 /nfs/dbraw/zinc/04/25/16/198042516.db2.gz LMEXRWHNVJSDOU-IJDCCNJMSA-N 0 0 306.369 3.048 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172868998 198159972 /nfs/dbraw/zinc/15/99/72/198159972.db2.gz MASRSGLZTBYCAN-UHFFFAOYSA-N 0 0 302.252 3.094 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)no1 ZINC000173465333 198217839 /nfs/dbraw/zinc/21/78/39/198217839.db2.gz RXMBYUKPLCSQRP-AWEZNQCLSA-N 0 0 310.357 3.042 10 30 DGEERN N#Cc1c(N)nc(C2CC2)cc1-c1cccc(-n2cccn2)c1 ZINC000067675369 432034329 /nfs/dbraw/zinc/03/43/29/432034329.db2.gz MNIZUIDPTRYYOB-UHFFFAOYSA-N 0 0 301.353 3.266 10 30 DGEERN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000003445125 181021104 /nfs/dbraw/zinc/02/11/04/181021104.db2.gz UXUGSLBBIGMDGV-ZDUSSCGKSA-N 0 0 308.337 3.167 10 30 DGEERN CC(C)C[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000073189863 191288939 /nfs/dbraw/zinc/28/89/39/191288939.db2.gz MUNJVWGKHPMMLY-LSDHHAIUSA-N 0 0 300.402 3.220 10 30 DGEERN CC(C)C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000073189848 191289421 /nfs/dbraw/zinc/28/94/21/191289421.db2.gz MUNJVWGKHPMMLY-HUUCEWRRSA-N 0 0 300.402 3.220 10 30 DGEERN C=CC[C@H](CO)Nc1cncc(SCc2ccccc2)n1 ZINC000182665622 199471630 /nfs/dbraw/zinc/47/16/30/199471630.db2.gz UYZDZGLAWWFNER-CQSZACIVSA-N 0 0 301.415 3.118 10 30 DGEERN CC(C)C(Cl)=NOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000073336497 191306266 /nfs/dbraw/zinc/30/62/66/191306266.db2.gz KZPBNWWJDKUBNU-XNTDXEJSSA-N 0 0 303.677 3.491 10 30 DGEERN CC(C)(C)c1ccc(=O)n(CC#Cc2ccc(Cl)cc2)n1 ZINC000085251543 192484744 /nfs/dbraw/zinc/48/47/44/192484744.db2.gz RFKTZEAAZDEFJB-UHFFFAOYSA-N 0 0 300.789 3.246 10 30 DGEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000178577828 283083728 /nfs/dbraw/zinc/08/37/28/283083728.db2.gz LZNVFEYIFKDTJH-MRXNPFEDSA-N 0 0 321.380 3.453 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000004959142 181179999 /nfs/dbraw/zinc/17/99/99/181179999.db2.gz JPKBHQROFDXBJI-SNVBAGLBSA-N 0 0 301.733 3.013 10 30 DGEERN O=C(/C=C/c1ccccc1)c1cccc(N2C(=O)C=CC2=O)c1 ZINC000005003356 181188991 /nfs/dbraw/zinc/18/89/91/181188991.db2.gz YJIFDOGFEVKQQN-MDZDMXLPSA-N 0 0 303.317 3.012 10 30 DGEERN N#Cc1cc(N2CC[C@@H]3CCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC000408435894 283106399 /nfs/dbraw/zinc/10/63/99/283106399.db2.gz RFOSKRFXUKRELB-ZBEGNZNMSA-N 0 0 308.341 3.393 10 30 DGEERN CC(=O)Nc1ccc(CN=Nc2nncc3ccccc32)cc1 ZINC000005119679 181205637 /nfs/dbraw/zinc/20/56/37/181205637.db2.gz KMJUJNFLGSNUTF-VCHYOVAHSA-N 0 0 305.341 3.034 10 30 DGEERN Oc1ccc(Cl)cc1/C=N/NC(=S)Nc1ccccc1 ZINC000005338385 181231492 /nfs/dbraw/zinc/23/14/92/181231492.db2.gz OKICBAFRELMEGQ-CXUHLZMHSA-N 0 0 305.790 3.366 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179306662 432053160 /nfs/dbraw/zinc/05/31/60/432053160.db2.gz BAMMHSZDMVCMHW-HNNXBMFYSA-N 0 0 308.422 3.422 10 30 DGEERN Oc1ccccc1/C=N/C1=NN(C(=S)Nc2ccccc2)CC1 ZINC000005589764 181261204 /nfs/dbraw/zinc/26/12/04/181261204.db2.gz GBVCACVDGWEENH-LDADJPATSA-N 0 0 324.409 3.227 10 30 DGEERN CCn1c(C)cc(C(=O)COc2ccc(C#N)cc2OC)c1C ZINC000005629623 181266125 /nfs/dbraw/zinc/26/61/25/181266125.db2.gz AMWKOBXREGXKNX-UHFFFAOYSA-N 0 0 312.369 3.267 10 30 DGEERN COc1ccc(/C=N/NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000005727781 181277575 /nfs/dbraw/zinc/27/75/75/181277575.db2.gz ZSXWSCAAQPKTTK-DEDYPNTBSA-N 0 0 307.397 3.400 10 30 DGEERN C=C1C[C@]23CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2C[C@H]1[C@H](O)C3=O ZINC000005742293 181279267 /nfs/dbraw/zinc/27/92/67/181279267.db2.gz UQKJSKXVMBIKGF-OVNPJXQSSA-N 0 0 316.441 3.304 10 30 DGEERN COc1ccc(/C=C/C(=O)n2c(CC#N)nc3ccccc32)cc1 ZINC000005728288 181277679 /nfs/dbraw/zinc/27/76/79/181277679.db2.gz YDXXEQAFTXCHRH-DHZHZOJOSA-N 0 0 317.348 3.465 10 30 DGEERN N#C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000179661603 432066305 /nfs/dbraw/zinc/06/63/05/432066305.db2.gz VNYAVYPKSNXJJZ-QGZVFWFLSA-N 0 0 301.349 3.420 10 30 DGEERN C#CCCCCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000179959279 199099921 /nfs/dbraw/zinc/09/99/21/199099921.db2.gz JMPUVUNIVAUKKF-UHFFFAOYSA-N 0 0 314.360 3.333 10 30 DGEERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1C ZINC000134208459 432074622 /nfs/dbraw/zinc/07/46/22/432074622.db2.gz RKDBBHFQRBPRKH-INIZCTEOSA-N 0 0 308.385 3.184 10 30 DGEERN CC/N=C1\NN=C(c2cc(C)n(Cc3ccco3)c2C)CS1 ZINC000005943730 181298988 /nfs/dbraw/zinc/29/89/88/181298988.db2.gz DDNQJKAWFFVVKF-UHFFFAOYSA-N 0 0 316.430 3.163 10 30 aggregator DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000134728018 432084394 /nfs/dbraw/zinc/08/43/94/432084394.db2.gz DUJKJKCIPZZVDS-CYBMUJFWSA-N 0 0 310.394 3.041 10 30 DGEERN N#Cc1cccc(C2(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)c1 ZINC000435259252 238285819 /nfs/dbraw/zinc/28/58/19/238285819.db2.gz HKPJSQNUTGQZHV-AWEZNQCLSA-N 0 0 304.340 3.284 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000436014399 238383153 /nfs/dbraw/zinc/38/31/53/238383153.db2.gz DTXUOFAQHVXHRP-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(C#N)ccn2)c1 ZINC000436010233 238384257 /nfs/dbraw/zinc/38/42/57/238384257.db2.gz GHEZXNDFWADACL-LLVKDONJSA-N 0 0 315.760 3.321 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000056227540 283628154 /nfs/dbraw/zinc/62/81/54/283628154.db2.gz KPPHZITZQDKYOR-LLVKDONJSA-N 0 0 316.307 3.267 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cc(-n2cccn2)ccc1C ZINC000189836698 432096031 /nfs/dbraw/zinc/09/60/31/432096031.db2.gz YUVWJZKDCOWCDU-MRXNPFEDSA-N 0 0 324.428 3.182 10 30 DGEERN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccnc(C#N)c1 ZINC000193394620 201044669 /nfs/dbraw/zinc/04/46/69/201044669.db2.gz VSCJKNOOHGACCK-QGZVFWFLSA-N 0 0 311.360 3.089 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccnc(C#N)c1 ZINC000193612932 201086340 /nfs/dbraw/zinc/08/63/40/201086340.db2.gz OWNGIMGWHWETGL-GLJUWKHASA-N 0 0 305.381 3.360 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000189845471 432096504 /nfs/dbraw/zinc/09/65/04/432096504.db2.gz RQQKDQAZKATVDR-WMLDXEAASA-N 0 0 302.418 3.072 10 30 DGEERN N#Cc1ccc2ncc(CN3CC4(CC4)c4ccccc43)n2c1 ZINC000180753771 432098504 /nfs/dbraw/zinc/09/85/04/432098504.db2.gz BCLODKSISFNPHL-UHFFFAOYSA-N 0 0 300.365 3.258 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)c1cnn(C)c1 ZINC000189877473 432099943 /nfs/dbraw/zinc/09/99/43/432099943.db2.gz XHVNMUIRHACCML-UHFFFAOYSA-N 0 0 311.385 3.093 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000450051377 240540909 /nfs/dbraw/zinc/54/09/09/240540909.db2.gz WGAKXMCTTQNNKS-ZACQAIPSSA-N 0 0 303.377 3.470 10 30 DGEERN CC(C)=C(F)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092035153 193144395 /nfs/dbraw/zinc/14/43/95/193144395.db2.gz XJELGCWMQSNEGU-UHFFFAOYSA-N 0 0 317.364 3.023 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@](C)(F)C1 ZINC000451110591 241008831 /nfs/dbraw/zinc/00/88/31/241008831.db2.gz CIUDXNIIJAMIFD-PBHICJAKSA-N 0 0 324.465 3.475 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000451677357 241203936 /nfs/dbraw/zinc/20/39/36/241203936.db2.gz BXFFMSOLVCIRSG-RCCFBDPRSA-N 0 0 319.408 3.305 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451828713 241249335 /nfs/dbraw/zinc/24/93/35/241249335.db2.gz BLNFSKCDGHDTPZ-DOTOQJQBSA-N 0 0 314.429 3.396 10 30 DGEERN C=CCOc1ccccc1C(=O)NCCCC1CCOCC1 ZINC000452208132 241352281 /nfs/dbraw/zinc/35/22/81/241352281.db2.gz JMMXZOVQSKOMLO-UHFFFAOYSA-N 0 0 303.402 3.188 10 30 DGEERN CCN(Cc1cccc(Cl)c1)C(=O)c1cc(C#N)cn1C ZINC000081003962 283907697 /nfs/dbraw/zinc/90/76/97/283907697.db2.gz BZGJAQKCLLMJRL-UHFFFAOYSA-N 0 0 301.777 3.212 10 30 DGEERN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(C#N)cn1C ZINC000081001725 283907842 /nfs/dbraw/zinc/90/78/42/283907842.db2.gz BXYVRMDLMCEWSD-NSHDSACASA-N 0 0 301.777 3.383 10 30 DGEERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(C#N)cn1C ZINC000081013439 283907849 /nfs/dbraw/zinc/90/78/49/283907849.db2.gz WUMYEDRSUSRWCJ-UHFFFAOYSA-N 0 0 324.384 3.052 10 30 DGEERN CCCCOc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 ZINC000081028278 283908535 /nfs/dbraw/zinc/90/85/35/283908535.db2.gz HGCYGRWAQKNFFJ-UHFFFAOYSA-N 0 0 311.385 3.006 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CCC[C@@](C)(F)C2)c(OC)c1 ZINC000452194656 241347901 /nfs/dbraw/zinc/34/79/01/241347901.db2.gz MKBXDTKVMBXEKQ-GOSISDBHSA-N 0 0 321.392 3.153 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000452778928 241516371 /nfs/dbraw/zinc/51/63/71/241516371.db2.gz RMVUYEGGKZLMFE-SWLSCSKDSA-N 0 0 300.402 3.223 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCOCC2(CCC2)C1 ZINC000453454956 241792049 /nfs/dbraw/zinc/79/20/49/241792049.db2.gz XHDDZNFBNIKDDC-UHFFFAOYSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000454904798 242062433 /nfs/dbraw/zinc/06/24/33/242062433.db2.gz QSLPNEWXFPSODA-UAGQMJEPSA-N 0 0 302.418 3.336 10 30 DGEERN COc1ccc(CSCCC(=O)NC(C)(C)C)cc1C#N ZINC000135320365 432112080 /nfs/dbraw/zinc/11/20/80/432112080.db2.gz ZFEJRNCLXCBGFZ-UHFFFAOYSA-N 0 0 306.431 3.105 10 30 DGEERN C=C(CC)CNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000455523638 242225005 /nfs/dbraw/zinc/22/50/05/242225005.db2.gz ORJALRJDTSJEFM-MRXNPFEDSA-N 0 0 306.381 3.183 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)NC2(CCO)CCCCC2)c1 ZINC000455962140 242320062 /nfs/dbraw/zinc/32/00/62/242320062.db2.gz AQLBXZVXDBZATB-UHFFFAOYSA-N 0 0 301.390 3.074 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCCCC(=O)c1ccccc1 ZINC000456265346 242393890 /nfs/dbraw/zinc/39/38/90/242393890.db2.gz OGRULEISYGKIGF-AEFFLSMTSA-N 0 0 315.413 3.280 10 30 DGEERN C=CCC[C@@H](NC(=O)NCc1nnc(CC)o1)c1ccccc1 ZINC000458574920 243094050 /nfs/dbraw/zinc/09/40/50/243094050.db2.gz MTKMISZTLDIPCO-CQSZACIVSA-N 0 0 314.389 3.139 10 30 DGEERN C=CCC[C@H](NC(=O)N1C[C@H](O)C[C@H](C)C1)c1ccccc1 ZINC000458589071 243097824 /nfs/dbraw/zinc/09/78/24/243097824.db2.gz WZBKVSDKDPTNCR-UAGQMJEPSA-N 0 0 302.418 3.106 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458937142 243206436 /nfs/dbraw/zinc/20/64/36/243206436.db2.gz AEPQXCDHRMWTAH-XQQFMLRXSA-N 0 0 322.371 3.124 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NCC1(CF)CCOCC1 ZINC000459013070 243228951 /nfs/dbraw/zinc/22/89/51/243228951.db2.gz SLZGXJBLXKUHPL-UHFFFAOYSA-N 0 0 320.408 3.151 10 30 DGEERN CCC[C@]1(COC)CCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000302828841 284085842 /nfs/dbraw/zinc/08/58/42/284085842.db2.gz OQMAIZJIRUXAIN-MRXNPFEDSA-N 0 0 303.362 3.252 10 30 DGEERN C=CCCCCNC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000472847528 244316933 /nfs/dbraw/zinc/31/69/33/244316933.db2.gz DYBBYPRQZLBLMU-RHSMWYFYSA-N 0 0 302.418 3.376 10 30 DGEERN CN(Cc1ccc(C#N)o1)Cc1nc(C(F)(F)F)cs1 ZINC000093814644 193312471 /nfs/dbraw/zinc/31/24/71/193312471.db2.gz HLTDYHDNNVVROA-UHFFFAOYSA-N 0 0 301.293 3.259 10 30 DGEERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093889191 193324171 /nfs/dbraw/zinc/32/41/71/193324171.db2.gz GLVPSEMQBMBZAE-LAJNKCICSA-N 0 0 302.399 3.082 10 30 DGEERN C=C(C)COCCNc1cc(N2CCc3ccccc32)ncn1 ZINC000488086654 245144024 /nfs/dbraw/zinc/14/40/24/245144024.db2.gz VIBNWQHFQVUIHH-UHFFFAOYSA-N 0 0 310.401 3.175 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000125031162 284268906 /nfs/dbraw/zinc/26/89/06/284268906.db2.gz KKGWNHGUHOXAGZ-UHFFFAOYSA-N 0 0 321.380 3.129 10 30 DGEERN Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(C#N)cc1C ZINC000125945977 284288911 /nfs/dbraw/zinc/28/89/11/284288911.db2.gz CQVBVOMYWONXPV-HNNXBMFYSA-N 0 0 308.381 3.372 10 30 DGEERN CN1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccc(O)cc1 ZINC000016904539 182063711 /nfs/dbraw/zinc/06/37/11/182063711.db2.gz ISZQSJJUBKNLAF-JWFVMAOISA-N 0 0 300.339 3.219 10 30 DGEERN O=C(Nc1ccccc1)C(Br)=NNc1ccccc1 ZINC000022130354 182309821 /nfs/dbraw/zinc/30/98/21/182309821.db2.gz MTHCRCVCWKUMSJ-QGOAFFKASA-N 0 0 318.174 3.446 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCC[C@H]1C(=O)Nc2ccccc21 ZINC000023245738 182353932 /nfs/dbraw/zinc/35/39/32/182353932.db2.gz FJBAEUWSRSAPDV-CQSZACIVSA-N 0 0 322.324 3.004 10 30 DGEERN CCC(CC)NC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135333299 284471323 /nfs/dbraw/zinc/47/13/23/284471323.db2.gz OFTCSDSUSDFHJL-LBPRGKRZSA-N 0 0 320.458 3.493 10 30 DGEERN COc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)c(OC)c1 ZINC000033378784 182708371 /nfs/dbraw/zinc/70/83/71/182708371.db2.gz XMQLRMQKCIIQEY-CLTKARDFSA-N 0 0 312.321 3.329 10 30 biogenic,in-vitro DGEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1ccccc1C ZINC000040306632 183053363 /nfs/dbraw/zinc/05/33/63/183053363.db2.gz LQEUMJZEKLLNTR-UHFFFAOYSA-N 0 0 305.381 3.314 10 30 DGEERN C=CCNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040709133 183121238 /nfs/dbraw/zinc/12/12/38/183121238.db2.gz HBLBHVVRTZSMCD-UHFFFAOYSA-N 0 0 309.295 3.419 10 30 DGEERN CCSC(NC)=C(C(=O)c1ccco1)C(=O)c1ccco1 ZINC000040570365 183103484 /nfs/dbraw/zinc/10/34/84/183103484.db2.gz KIHGDFMACWJQFC-UHFFFAOYSA-N 0 0 305.355 3.122 10 30 DGEERN CCN(Cc1ccc(Cl)cc1Cl)C[C@@H](C)/C(N)=N/O ZINC000042445134 183271223 /nfs/dbraw/zinc/27/12/23/183271223.db2.gz SXGUARBEZOQNKE-SECBINFHSA-N 0 0 304.221 3.198 10 30 DGEERN N#CCCN(Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000042549338 183283237 /nfs/dbraw/zinc/28/32/37/183283237.db2.gz ABFZJAXGVVJKBR-UHFFFAOYSA-N 0 0 324.178 3.235 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn(CC(C)C)c1C ZINC000287235499 335041875 /nfs/dbraw/zinc/04/18/75/335041875.db2.gz JHKHEBMWJADRCN-GOSISDBHSA-N 0 0 323.440 3.212 10 30 DGEERN CC(C)COc1ccc([C@H](C)NC(=O)CSCC#N)cc1 ZINC000159485115 197357650 /nfs/dbraw/zinc/35/76/50/197357650.db2.gz PSGRWALESXYVPL-ZDUSSCGKSA-N 0 0 306.431 3.155 10 30 DGEERN CC(C)[C@H](O)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000159506802 197358548 /nfs/dbraw/zinc/35/85/48/197358548.db2.gz JIQDTSCIIVCHTA-NWDGAFQWSA-N 0 0 315.200 3.081 10 30 DGEERN CCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000106252792 194192897 /nfs/dbraw/zinc/19/28/97/194192897.db2.gz QAICARVOLFPCNY-UHFFFAOYSA-N 0 0 313.332 3.418 10 30 DGEERN CCc1cccc2c(CC(=O)Nc3ccc(C#N)cn3)c[nH]c21 ZINC000110287018 194320261 /nfs/dbraw/zinc/32/02/61/194320261.db2.gz APTCHZRNEADHRH-UHFFFAOYSA-N 0 0 304.353 3.178 10 30 DGEERN N#Cc1ccc(CSCC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058728935 184127142 /nfs/dbraw/zinc/12/71/42/184127142.db2.gz BPYPOQKEXZEYGI-MRXNPFEDSA-N 0 0 324.405 3.041 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cc(N)c(F)cc1Br ZINC000061079866 184161198 /nfs/dbraw/zinc/16/11/98/184161198.db2.gz GTKQMPBKINYMNA-UHFFFAOYSA-N 0 0 315.186 3.209 10 30 DGEERN N#Cc1c(F)cccc1NC(=O)c1ccc(Br)cn1 ZINC000061862853 184190052 /nfs/dbraw/zinc/19/00/52/184190052.db2.gz MCXBOKRIMIATOV-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC[C@H](COc3ccccc3)C2)c1 ZINC000062555152 184242311 /nfs/dbraw/zinc/24/23/11/184242311.db2.gz BAZXFXHSFSPXQV-KRWDZBQOSA-N 0 0 320.392 3.489 10 30 DGEERN COc1cc(N(C)CC#Cc2ccccc2)cc(OC)c1OC ZINC000192040365 532950957 /nfs/dbraw/zinc/95/09/57/532950957.db2.gz IVYCSSWTRNCLOH-UHFFFAOYSA-N 0 0 311.381 3.200 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000177105305 252713383 /nfs/dbraw/zinc/71/33/83/252713383.db2.gz VHVRTJJIEWZDMY-UHFFFAOYSA-N 0 0 313.788 3.012 10 30 DGEERN Cc1oc(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000249103927 285055582 /nfs/dbraw/zinc/05/55/82/285055582.db2.gz GOVVYSLCCUZPTI-GOEBONIOSA-N 0 0 315.417 3.361 10 30 DGEERN C[C@@]12CN(c3c(C#N)nnc4ccccc43)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333646677 252964681 /nfs/dbraw/zinc/96/46/81/252964681.db2.gz DFXBFFRWLAQBOY-CFLYGVGMSA-N 0 0 304.397 3.374 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC000158248055 197257157 /nfs/dbraw/zinc/25/71/57/197257157.db2.gz JVGMSQQDSHHYED-OLZOCXBDSA-N 0 0 313.275 3.133 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCC(=O)c1cccc(F)c1 ZINC000271296746 208788326 /nfs/dbraw/zinc/78/83/26/208788326.db2.gz NVPOBNSXVGPQCD-UHFFFAOYSA-N 0 0 317.282 3.366 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1cc(C)nc(C#N)c1)CC2 ZINC000342782845 254049677 /nfs/dbraw/zinc/04/96/77/254049677.db2.gz PBTPBAKSRWGJQV-UHFFFAOYSA-N 0 0 305.381 3.070 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000343556726 254159637 /nfs/dbraw/zinc/15/96/37/254159637.db2.gz LERCWBOIOYTUSL-SJLPKXTDSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1cc(F)ccc1Br ZINC000155332587 197045095 /nfs/dbraw/zinc/04/50/95/197045095.db2.gz CAFZOKNCFPKYSK-SECBINFHSA-N 0 0 317.154 3.475 10 30 DGEERN C#CCCCCNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000154903707 197003673 /nfs/dbraw/zinc/00/36/73/197003673.db2.gz XGYATZBADBVHMX-WMLDXEAASA-N 0 0 318.392 3.101 10 30 DGEERN C#CCCCCNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000154903825 197004152 /nfs/dbraw/zinc/00/41/52/197004152.db2.gz XGYATZBADBVHMX-PBHICJAKSA-N 0 0 318.392 3.101 10 30 DGEERN COCCN(C(=O)Cc1ccc(C)s1)c1ccc(C#N)cc1 ZINC000154412095 196964709 /nfs/dbraw/zinc/96/47/09/196964709.db2.gz BZTLAMZAJJKVNN-UHFFFAOYSA-N 0 0 314.410 3.150 10 30 DGEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 ZINC000078188338 533208059 /nfs/dbraw/zinc/20/80/59/533208059.db2.gz ISVQCSAMSMGRME-ZBFHGGJFSA-N 0 0 312.413 3.484 10 30 DGEERN CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000256428702 257104303 /nfs/dbraw/zinc/10/43/03/257104303.db2.gz GTFUITFQDGVJSK-GPBSYSOESA-N 0 0 316.441 3.448 10 30 DGEERN Cn1nccc1CCC(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000121565664 195306748 /nfs/dbraw/zinc/30/67/48/195306748.db2.gz QMJSCBBOAQVHCX-UHFFFAOYSA-N 0 0 316.430 3.222 10 30 DGEERN COC(=O)[C@H](N[C@@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000176708028 533352185 /nfs/dbraw/zinc/35/21/85/533352185.db2.gz ZQKMFJPOSLYIHB-RTBURBONSA-N 0 0 320.392 3.440 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NC2(CF)CCOCC2)c1 ZINC000454683295 533521038 /nfs/dbraw/zinc/52/10/38/533521038.db2.gz ZKKTVUVOSVADMI-UHFFFAOYSA-N 0 0 322.380 3.282 10 30 DGEERN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194799226 533502448 /nfs/dbraw/zinc/50/24/48/533502448.db2.gz AEHLOMFTYWEWLE-UHFFFAOYSA-N 0 0 321.336 3.066 10 30 DGEERN C[C@@H](Nc1ccn(CCC#N)n1)c1nnc(-c2ccccc2)o1 ZINC000152784932 533562625 /nfs/dbraw/zinc/56/26/25/533562625.db2.gz LVRQIOUUOFABQL-GFCCVEGCSA-N 0 0 308.345 3.020 10 30 DGEERN C[C@H](CC(=O)N[C@@H](C)CC#N)c1ccc(Br)cc1 ZINC000120417590 533666705 /nfs/dbraw/zinc/66/67/05/533666705.db2.gz NUMLXOQMQFBZMK-MNOVXSKESA-N 0 0 309.207 3.361 10 30 DGEERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N1CCOCC1 ZINC000329411338 292013631 /nfs/dbraw/zinc/01/36/31/292013631.db2.gz YECULHLBNLOUSX-HIFRSBDPSA-N 0 0 320.433 3.279 10 30 DGEERN CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1(C#N)CCC1 ZINC000066321465 400079159 /nfs/dbraw/zinc/07/91/59/400079159.db2.gz YFOLSARMXNNJDU-UHFFFAOYSA-N 0 0 314.776 3.044 10 30 DGEERN C=C1CCN(c2nnc(CC3CC3)n2Cc2ccccc2)CC1 ZINC000581382475 400079413 /nfs/dbraw/zinc/07/94/13/400079413.db2.gz NMSVMCZRGUNJLX-UHFFFAOYSA-N 0 0 308.429 3.435 10 30 DGEERN C=CCOc1c(CCC)cc(C(=O)OCCO)cc1CCC ZINC000002020801 400081489 /nfs/dbraw/zinc/08/14/89/400081489.db2.gz ONSRRKMXWGNSJK-UHFFFAOYSA-N 0 0 306.402 3.306 10 30 DGEERN Cc1cc(C#N)nc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000587607660 400174104 /nfs/dbraw/zinc/17/41/04/400174104.db2.gz OEQAFWAGSNUBBN-WMZOPIPTSA-N 0 0 322.412 3.261 10 30 DGEERN N#Cc1ccsc1C(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000609532763 400174539 /nfs/dbraw/zinc/17/45/39/400174539.db2.gz NQYFZBPNUQRXCV-UHFFFAOYSA-N 0 0 316.773 3.079 10 30 DGEERN Cc1ccc(Oc2ccc(Nc3nc(C)cc(C#N)n3)cc2)nn1 ZINC000587984773 400176232 /nfs/dbraw/zinc/17/62/32/400176232.db2.gz SKRJZRYLIJNNLL-UHFFFAOYSA-N 0 0 318.340 3.291 10 30 DGEERN Cc1nsc(N[C@H]2CCN(c3c(F)cccc3F)C2)c1C#N ZINC000587994929 400178460 /nfs/dbraw/zinc/17/84/60/400178460.db2.gz INJJTZUEAPVPTN-JTQLQIEISA-N 0 0 320.368 3.292 10 30 DGEERN Cc1cc(C#N)cc(N[C@H]2CCCN(c3ccccc3F)C2)n1 ZINC000588008763 400179175 /nfs/dbraw/zinc/17/91/75/400179175.db2.gz YREIJXVAXZFESB-HNNXBMFYSA-N 0 0 310.376 3.482 10 30 DGEERN N#Cc1ccc(CNC(=O)CNc2cccc(Cl)c2)c(F)c1 ZINC000609622509 400181358 /nfs/dbraw/zinc/18/13/58/400181358.db2.gz KPZQALLQPFVMSW-UHFFFAOYSA-N 0 0 317.751 3.079 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000328620413 400182502 /nfs/dbraw/zinc/18/25/02/400182502.db2.gz GZEKMNSWCUQVIQ-NVXWUHKLSA-N 0 0 324.384 3.009 10 30 DGEERN N#Cc1cc(N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc2n1 ZINC000091479768 400123129 /nfs/dbraw/zinc/12/31/29/400123129.db2.gz DUMPWMBNHPHSDW-ZDUSSCGKSA-N 0 0 303.369 3.214 10 30 DGEERN C[C@]1(Nc2cc(Br)c(C#N)cc2F)CCCOC1 ZINC000310640239 400132936 /nfs/dbraw/zinc/13/29/36/400132936.db2.gz SUVIWACGSXXDDS-ZDUSSCGKSA-N 0 0 313.170 3.441 10 30 DGEERN C[C@H]1COCC[C@H]1Nc1cc(Br)c(C#N)cc1F ZINC000310735224 400134544 /nfs/dbraw/zinc/13/45/44/400134544.db2.gz OYGBJAXGIJGTMP-QPUJVOFHSA-N 0 0 313.170 3.297 10 30 DGEERN C[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609097116 400139007 /nfs/dbraw/zinc/13/90/07/400139007.db2.gz BTMLNGBQWVBUCT-MAUKXSAKSA-N 0 0 311.429 3.176 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000616409517 400142101 /nfs/dbraw/zinc/14/21/01/400142101.db2.gz RMMQUXUOFVAWIE-HCXYKTFWSA-N 0 0 313.441 3.353 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067107652 400147152 /nfs/dbraw/zinc/14/71/52/400147152.db2.gz PUUBBKVAVDVZRV-JCURWCKSSA-N 0 0 324.355 3.137 10 30 DGEERN Cc1csc([C@H](C)NC(=O)c2cc3ccccc3n2CC#N)n1 ZINC000609173355 400147519 /nfs/dbraw/zinc/14/75/19/400147519.db2.gz BIUAPWFBJZNHFY-LBPRGKRZSA-N 0 0 324.409 3.421 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)c2cc3ccccc3n2CC#N)n1 ZINC000609173353 400147681 /nfs/dbraw/zinc/14/76/81/400147681.db2.gz BIUAPWFBJZNHFY-GFCCVEGCSA-N 0 0 324.409 3.421 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1CC#N ZINC000609170241 400147710 /nfs/dbraw/zinc/14/77/10/400147710.db2.gz OWAKHTWOVSWVAC-UHFFFAOYSA-N 0 0 321.302 3.355 10 30 DGEERN N#Cc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)c(F)c1 ZINC000609228781 400152526 /nfs/dbraw/zinc/15/25/26/400152526.db2.gz JETJITSEFWSNRL-UHFFFAOYSA-N 0 0 322.383 3.435 10 30 DGEERN CCOc1ccccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252201 400154636 /nfs/dbraw/zinc/15/46/36/400154636.db2.gz KNDDZPIIFBEJPC-UHFFFAOYSA-N 0 0 313.332 3.418 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC[C@@H]2c2ccccc2)c(F)c1 ZINC000609253615 400155164 /nfs/dbraw/zinc/15/51/64/400155164.db2.gz DEWAJDTZBAMKKH-QGZVFWFLSA-N 0 0 309.344 3.354 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC000616483566 400156765 /nfs/dbraw/zinc/15/67/65/400156765.db2.gz GGOWQUHASWEHKQ-QZTJIDSGSA-N 0 0 320.477 3.323 10 30 DGEERN COc1ccc(C(=O)NCc2ccc(C#N)cc2F)c(Cl)c1 ZINC000609372599 400164321 /nfs/dbraw/zinc/16/43/21/400164321.db2.gz MWBRVUMWNFOQFY-UHFFFAOYSA-N 0 0 318.735 3.289 10 30 DGEERN C=CCn1c(SCCN(C#N)CC)nnc1-c1ccccc1 ZINC000601071185 400221450 /nfs/dbraw/zinc/22/14/50/400221450.db2.gz VXPXJKFAHFIATQ-UHFFFAOYSA-N 0 0 313.430 3.026 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2cnn(C(C)(C)C)c2)no1)OCC ZINC000350936002 400227115 /nfs/dbraw/zinc/22/71/15/400227115.db2.gz BISKFFYSKGBTNA-CYBMUJFWSA-N 0 0 304.394 3.212 10 30 DGEERN C=CCC1(c2nc(-c3ccnc4[nH]ccc43)no2)CCOCC1 ZINC000351304151 400246590 /nfs/dbraw/zinc/24/65/90/400246590.db2.gz IQHGWVIYPVRRCU-UHFFFAOYSA-N 0 0 310.357 3.189 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000610352561 400247220 /nfs/dbraw/zinc/24/72/20/400247220.db2.gz AOHGQFGFAVUOCA-AEFFLSMTSA-N 0 0 323.371 3.128 10 30 DGEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588161699 400194387 /nfs/dbraw/zinc/19/43/87/400194387.db2.gz KTKUWXBCWFMJFP-OAHLLOKOSA-N 0 0 322.449 3.431 10 30 DGEERN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616664190 400196493 /nfs/dbraw/zinc/19/64/93/400196493.db2.gz PVTDDIAQMAKNFT-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000350060742 400208952 /nfs/dbraw/zinc/20/89/52/400208952.db2.gz MCWVGOPLQTWVAQ-IUODEOHRSA-N 0 0 310.357 3.072 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000350074578 400209416 /nfs/dbraw/zinc/20/94/16/400209416.db2.gz QLFNAHCKDYZRDV-QGZVFWFLSA-N 0 0 312.373 3.104 10 30 DGEERN C[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000610531029 400272710 /nfs/dbraw/zinc/27/27/10/400272710.db2.gz POFNGEXANJLTNZ-KBPBESRZSA-N 0 0 308.385 3.117 10 30 DGEERN C[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000610531030 400272834 /nfs/dbraw/zinc/27/28/34/400272834.db2.gz POFNGEXANJLTNZ-KGLIPLIRSA-N 0 0 308.385 3.117 10 30 DGEERN C[C@@H](NC(=O)NC[C@@H](C)c1ccncc1)c1ccc(C#N)cc1 ZINC000610528791 400272900 /nfs/dbraw/zinc/27/29/00/400272900.db2.gz UKFWHZOHTSNBBQ-ZIAGYGMSSA-N 0 0 308.385 3.117 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CNC(C)=O)cc1 ZINC000617035512 400286917 /nfs/dbraw/zinc/28/69/17/400286917.db2.gz NMLMAAXBABYXRQ-SJLPKXTDSA-N 0 0 314.429 3.187 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccccn2)c1C ZINC000617038263 400289133 /nfs/dbraw/zinc/28/91/33/400289133.db2.gz VSPWOUQXNRQEKT-RDJZCZTQSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000617041790 400289804 /nfs/dbraw/zinc/28/98/04/400289804.db2.gz IWTZSZGKZOKLKZ-XYPHTWIQSA-N 0 0 303.402 3.331 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cncn2)c1 ZINC000617040286 400290090 /nfs/dbraw/zinc/29/00/90/400290090.db2.gz RXMVWIHMFFJDCD-PBHICJAKSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617040257 400290160 /nfs/dbraw/zinc/29/01/60/400290160.db2.gz RLYGNKCNVXGPOS-ZBFHGGJFSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000617040107 400290168 /nfs/dbraw/zinc/29/01/68/400290168.db2.gz PNYQXGZPEFUIFB-NVXWUHKLSA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000617039969 400290291 /nfs/dbraw/zinc/29/02/91/400290291.db2.gz NVAOMBIQNDDUGP-WBVHZDCISA-N 0 0 324.428 3.440 10 30 DGEERN CCCC(O)(CCC)CC(=O)NCc1ccc(C#N)cc1F ZINC000610681044 400290643 /nfs/dbraw/zinc/29/06/43/400290643.db2.gz BKNNMQAWYYVOPS-UHFFFAOYSA-N 0 0 306.381 3.035 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)OC ZINC000617043475 400290855 /nfs/dbraw/zinc/29/08/55/400290855.db2.gz AHLFZUGRFIRBHA-KURKYZTESA-N 0 0 301.430 3.495 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1sc(COC)nc1C ZINC000617042484 400291192 /nfs/dbraw/zinc/29/11/92/400291192.db2.gz RXGFUJIVDXAYKM-OLZOCXBDSA-N 0 0 308.447 3.463 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)NC1CCCC1 ZINC000617042833 400291207 /nfs/dbraw/zinc/29/12/07/400291207.db2.gz WDTXSAXMRZUBHE-HOCLYGCPSA-N 0 0 306.450 3.077 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccccn1 ZINC000617042913 400291302 /nfs/dbraw/zinc/29/13/02/400291302.db2.gz XCUZXZVMJCTJPB-HUUCEWRRSA-N 0 0 300.402 3.296 10 30 DGEERN CC1(CNC(=O)NCc2ccc(C#N)cc2F)CCCCC1 ZINC000610706966 400292723 /nfs/dbraw/zinc/29/27/23/400292723.db2.gz IEWCNCUARVYVPN-UHFFFAOYSA-N 0 0 303.381 3.467 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1CC#N ZINC000601462195 400303369 /nfs/dbraw/zinc/30/33/69/400303369.db2.gz SWPGNZGWZVSDLO-HOCLYGCPSA-N 0 0 318.442 3.166 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000601498021 400304554 /nfs/dbraw/zinc/30/45/54/400304554.db2.gz MDHVEUVTELUSST-UHFFFAOYSA-N 0 0 324.421 3.109 10 30 DGEERN N#Cc1cccc(CC(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC000610918696 400324631 /nfs/dbraw/zinc/32/46/31/400324631.db2.gz SFPTWGYHAXSLDY-UHFFFAOYSA-N 0 0 312.319 3.235 10 30 DGEERN N#Cc1cc(Br)ccc1N1CC[C@@H](C(F)F)C1 ZINC000589600325 400308562 /nfs/dbraw/zinc/30/85/62/400308562.db2.gz VOQHIMLXTADKLH-MRVPVSSYSA-N 0 0 301.134 3.412 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1ccc([S@](C)=O)cc1 ZINC000601630085 400319790 /nfs/dbraw/zinc/31/97/90/400319790.db2.gz BGKBTPZXVTUSPE-QFIPXVFZSA-N 0 0 322.474 3.216 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)CC2(C#N)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000590530352 400394316 /nfs/dbraw/zinc/39/43/16/400394316.db2.gz VWAZEJCBNCTVEG-BLLLJJGKSA-N 0 0 311.385 3.080 10 30 DGEERN C=C(C)Cn1nc(C(F)(F)F)c2c1CC[C@@H](C(=O)OCC)C2 ZINC000601940792 400382068 /nfs/dbraw/zinc/38/20/68/400382068.db2.gz SCOQWMPSIRZMDT-SNVBAGLBSA-N 0 0 316.323 3.146 10 30 DGEERN C=CCCC1(CNC(=O)c2cnn3ccc(C)nc23)CCCC1 ZINC000617416346 400384017 /nfs/dbraw/zinc/38/40/17/400384017.db2.gz MFHZRRJTMSYVES-UHFFFAOYSA-N 0 0 312.417 3.294 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3ncncc3C2)CCCC1 ZINC000617418039 400385056 /nfs/dbraw/zinc/38/50/56/400385056.db2.gz QCSNSYPKWCHJNG-HNNXBMFYSA-N 0 0 313.445 3.224 10 30 DGEERN C=CCCC1(CNC(=O)c2cncc(COC)c2)CCCC1 ZINC000617416982 400385459 /nfs/dbraw/zinc/38/54/59/400385459.db2.gz GNWQZQQDLLEJHQ-UHFFFAOYSA-N 0 0 302.418 3.484 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](CC(=C)C)NC(C)=O)CCCC1 ZINC000617417657 400385512 /nfs/dbraw/zinc/38/55/12/400385512.db2.gz ADFWCPYOEPUATA-INIZCTEOSA-N 0 0 306.450 3.100 10 30 DGEERN C=CCCC1(CNC(=O)CO[C@H](C)c2nccn2C)CCCC1 ZINC000617418031 400385582 /nfs/dbraw/zinc/38/55/82/400385582.db2.gz PUQTWUXSNGXAOW-OAHLLOKOSA-N 0 0 319.449 3.141 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3cnc(C)n3C2)CCCC1 ZINC000617417757 400385704 /nfs/dbraw/zinc/38/57/04/400385704.db2.gz FODSAWHUVKNNHW-MRXNPFEDSA-N 0 0 315.461 3.397 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCn3c(C)ncc3C2)CCCC1 ZINC000617417650 400385753 /nfs/dbraw/zinc/38/57/53/400385753.db2.gz AABHHMVNGWABHS-INIZCTEOSA-N 0 0 315.461 3.397 10 30 DGEERN N/C(CCCOc1ccc(Br)cc1Cl)=N\O ZINC000034938937 400386410 /nfs/dbraw/zinc/38/64/10/400386410.db2.gz YZTALDHWCXZFRV-UHFFFAOYSA-N 0 0 307.575 3.008 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCOc2cc(C)ccc2C)cc1 ZINC000034648863 400386494 /nfs/dbraw/zinc/38/64/94/400386494.db2.gz QEFUCUASWHPLPA-UHFFFAOYSA-N 0 0 320.410 3.396 10 30 DGEERN C[C@@H]1CSC(Nc2cccc(I)c2)=N1 ZINC000035286950 400387769 /nfs/dbraw/zinc/38/77/69/400387769.db2.gz WIDDDTPLYTYCLJ-SSDOTTSWSA-N 0 0 318.183 3.004 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1 ZINC000617444566 400388118 /nfs/dbraw/zinc/38/81/18/400388118.db2.gz HRKLTTKAQJXBPX-VNQPRFMTSA-N 0 0 310.401 3.150 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC[C@@H](C)COC)cc1 ZINC000578210114 400327004 /nfs/dbraw/zinc/32/70/04/400327004.db2.gz AOFHWWDUUVAIPQ-OAHLLOKOSA-N 0 0 302.418 3.195 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)C1 ZINC000601682982 400327878 /nfs/dbraw/zinc/32/78/78/400327878.db2.gz LWXAPNXZKFSZRL-LLVKDONJSA-N 0 0 321.348 3.061 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000601683130 400328658 /nfs/dbraw/zinc/32/86/58/400328658.db2.gz NRPROPICISOXJY-KGLIPLIRSA-N 0 0 307.434 3.169 10 30 DGEERN C=CCNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 ZINC000578990855 400335092 /nfs/dbraw/zinc/33/50/92/400335092.db2.gz CZYIFBJSHGBBCV-UHFFFAOYSA-N 0 0 319.767 3.069 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@H]1CC ZINC000579458901 400338826 /nfs/dbraw/zinc/33/88/26/400338826.db2.gz UKXJRHJCPIWMKL-GOEBONIOSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000579727279 400341892 /nfs/dbraw/zinc/34/18/92/400341892.db2.gz DMFRNMIOGADPMY-UHFFFAOYSA-N 0 0 324.446 3.099 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000601744455 400343770 /nfs/dbraw/zinc/34/37/70/400343770.db2.gz KQDCLEKLQJHWPD-UHFFFAOYSA-N 0 0 308.353 3.385 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2cccc(F)c2nc1C ZINC000579964329 400344000 /nfs/dbraw/zinc/34/40/00/400344000.db2.gz CTHZQGOFSPANAX-CVEARBPZSA-N 0 0 314.360 3.146 10 30 DGEERN C=CCCC(C)(C)CNC(=O)COc1ccc(C#N)cc1OC ZINC000601746561 400344056 /nfs/dbraw/zinc/34/40/56/400344056.db2.gz BRYCMEQEZOELTC-UHFFFAOYSA-N 0 0 316.401 3.054 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc2ccsc2s1 ZINC000579950223 400344066 /nfs/dbraw/zinc/34/40/66/400344066.db2.gz 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/nfs/dbraw/zinc/36/63/09/400366309.db2.gz ZWINAWKRBFRPKF-UHFFFAOYSA-N 0 0 304.419 3.056 10 30 DGEERN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000611561013 400422310 /nfs/dbraw/zinc/42/23/10/400422310.db2.gz RTJLLAUVMCBRSJ-HIFRSBDPSA-N 0 0 300.402 3.488 10 30 DGEERN C=CCN(C(=O)c1ccc(N2CCCCC2)cc1)[C@H](C)COC ZINC000617580453 400417882 /nfs/dbraw/zinc/41/78/82/400417882.db2.gz YDKLIJLSSAWCGR-MRXNPFEDSA-N 0 0 316.445 3.340 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000617621300 400428208 /nfs/dbraw/zinc/42/82/08/400428208.db2.gz CVMQMFAEIVZDEV-OAHLLOKOSA-N 0 0 315.335 3.263 10 30 DGEERN C=CCNC(=O)[C@@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120725960 400448242 /nfs/dbraw/zinc/44/82/42/400448242.db2.gz QISCLNUSNYNXLF-RKDXNWHRSA-N 0 0 319.207 3.474 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000602381217 400449611 /nfs/dbraw/zinc/44/96/11/400449611.db2.gz GAOQQGUENTVIPS-NSHDSACASA-N 0 0 315.329 3.063 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC(CC(=O)OCC)CC1 ZINC000602389818 400450813 /nfs/dbraw/zinc/45/08/13/400450813.db2.gz FKCABGWMFBXVHA-UHFFFAOYSA-N 0 0 324.465 3.354 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)C2(OC)CCC(F)(F)CC2)C1 ZINC000617776864 400450947 /nfs/dbraw/zinc/45/09/47/400450947.db2.gz CTBQHLOAGLWCPU-CYBMUJFWSA-N 0 0 301.377 3.396 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ccnc(N3CC[C@@H](C)C3)c2)C1 ZINC000617783305 400453245 /nfs/dbraw/zinc/45/32/45/400453245.db2.gz XZEMZNLHAKYIGH-CVEARBPZSA-N 0 0 313.445 3.356 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)COc2ccc(C(=O)CC)cc2)C1 ZINC000617789501 400456180 /nfs/dbraw/zinc/45/61/80/400456180.db2.gz LAHZYRXDUBWHQH-HNNXBMFYSA-N 0 0 315.413 3.473 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000590942508 400465103 /nfs/dbraw/zinc/46/51/03/400465103.db2.gz ZGJRSXBDJCGYBC-UHFFFAOYSA-N 0 0 324.465 3.354 10 30 DGEERN COc1ccc(OCc2ccnc(C#N)c2)c(Br)c1 ZINC000123023100 400465590 /nfs/dbraw/zinc/46/55/90/400465590.db2.gz JQLVEGJHRAMRPL-UHFFFAOYSA-N 0 0 319.158 3.303 10 30 DGEERN Cc1cccc2c1CCN2C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000125963941 400487163 /nfs/dbraw/zinc/48/71/63/400487163.db2.gz SAIPYGJCFZPTFB-CQSZACIVSA-N 0 0 306.365 3.223 10 30 DGEERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2C)C12CCCC2 ZINC000126341915 400491617 /nfs/dbraw/zinc/49/16/17/400491617.db2.gz BRPPQXDPLBXELL-IAGOWNOFSA-N 0 0 312.413 3.334 10 30 DGEERN CN(C[C@@H]1CC=CCC1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000612124871 400496617 /nfs/dbraw/zinc/49/66/17/400496617.db2.gz UOEBJNIBWRBNHG-MJGOQNOKSA-N 0 0 323.440 3.342 10 30 DGEERN Cc1ccc(C(=O)CCC(=O)NCc2cccc(C#N)c2)cc1C ZINC000045215836 400515835 /nfs/dbraw/zinc/51/58/35/400515835.db2.gz JSGZAMMQSUJBKW-UHFFFAOYSA-N 0 0 320.392 3.454 10 30 DGEERN Cc1ccc(OCCN(C)c2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000045513577 400526300 /nfs/dbraw/zinc/52/63/00/400526300.db2.gz IZTGAWABBPFPSE-UHFFFAOYSA-N 0 0 311.341 3.290 10 30 DGEERN CC1(NC(=O)CNc2ccc(C#N)cc2)CCC(F)(F)CC1 ZINC000612335511 400527380 /nfs/dbraw/zinc/52/73/80/400527380.db2.gz 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400559417 /nfs/dbraw/zinc/55/94/17/400559417.db2.gz OTVDDWSLJFESDF-SNVBAGLBSA-N 0 0 307.337 3.364 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000618282195 400560281 /nfs/dbraw/zinc/56/02/81/400560281.db2.gz COZZBZKKPPZORP-OAHLLOKOSA-N 0 0 308.466 3.132 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1ccc(COC)c(C(F)(F)F)c1 ZINC000618344216 400569052 /nfs/dbraw/zinc/56/90/52/400569052.db2.gz XUTCQRWDEYJNNV-CQSZACIVSA-N 0 0 317.307 3.117 10 30 DGEERN CCOC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1N ZINC000142406354 400629956 /nfs/dbraw/zinc/62/99/56/400629956.db2.gz BCCRVZXCOGBQCN-UHFFFAOYSA-N 0 0 311.341 3.288 10 30 DGEERN COC(=O)[C@](C)(CC=O)c1ccc(OCc2ccccc2)cc1 ZINC000142445539 400630827 /nfs/dbraw/zinc/63/08/27/400630827.db2.gz FYZRWKMVVZLSQL-LJQANCHMSA-N 0 0 312.365 3.285 10 30 DGEERN C=CCN(c1nnc([C@H]2CCCS2)n1CC1CC1)C1CC1 ZINC000612959531 400633704 /nfs/dbraw/zinc/63/37/04/400633704.db2.gz KPCVAHSWUPJDFS-CQSZACIVSA-N 0 0 304.463 3.411 10 30 DGEERN COc1cccc(Cc2noc(/C=C/c3cccc(C#N)c3)n2)n1 ZINC000612979758 400637555 /nfs/dbraw/zinc/63/75/55/400637555.db2.gz DUOKEQCRZBBLPF-CMDGGOBGSA-N 0 0 318.336 3.106 10 30 DGEERN N#Cc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 ZINC000144112084 400639890 /nfs/dbraw/zinc/63/98/90/400639890.db2.gz AAPGLAOEPKHVDC-UHFFFAOYSA-N 0 0 302.333 3.288 10 30 DGEERN CCCCCCCCCCS(=O)(=O)CCC(=O)OCC ZINC000138583843 400599639 /nfs/dbraw/zinc/59/96/39/400599639.db2.gz JGRKRMPGMWVTKB-UHFFFAOYSA-N 0 0 306.468 3.495 10 30 DGEERN C=C(C)CN(C)c1nnc([C@@H]2Cc3ccccc3O2)n1CC1CC1 ZINC000612784550 400602778 /nfs/dbraw/zinc/60/27/78/400602778.db2.gz QTCYQPDEIOGCCD-KRWDZBQOSA-N 0 0 324.428 3.377 10 30 DGEERN CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(C#N)cc1F ZINC000612815220 400609345 /nfs/dbraw/zinc/60/93/45/400609345.db2.gz QFYXCONRIYONBC-LLVKDONJSA-N 0 0 317.286 3.228 10 30 DGEERN C=CCOCCCNC(=O)c1ccccc1NCc1ccco1 ZINC000618516026 400609428 /nfs/dbraw/zinc/60/94/28/400609428.db2.gz INMYYTMHCXQNNC-UHFFFAOYSA-N 0 0 314.385 3.214 10 30 DGEERN C=CCOCCCNC(=O)CCOc1ccc2ccccc2c1 ZINC000618525557 400611216 /nfs/dbraw/zinc/61/12/16/400611216.db2.gz JMDVAZPPJCFOQN-UHFFFAOYSA-N 0 0 313.397 3.318 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C)sc1Br ZINC000618525605 400611230 /nfs/dbraw/zinc/61/12/30/400611230.db2.gz FXMJQSHDZNDENK-UHFFFAOYSA-N 0 0 318.236 3.142 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC000618525985 400611455 /nfs/dbraw/zinc/61/14/55/400611455.db2.gz JBWDNDWXQQWMFR-ZDUSSCGKSA-N 0 0 323.820 3.258 10 30 DGEERN C=C(C)Cn1c(N(CC)CCSC)nnc1[C@]1(C)CCCO1 ZINC000592415159 400647924 /nfs/dbraw/zinc/64/79/24/400647924.db2.gz RDDFUUKWDGKHIQ-INIZCTEOSA-N 0 0 324.494 3.069 10 30 DGEERN COC(=O)c1ccc(CCc2ccc(NC(=O)CC#N)cc2)cc1 ZINC000146314490 400648886 /nfs/dbraw/zinc/64/88/86/400648886.db2.gz ZVUYMPUZGYJURJ-UHFFFAOYSA-N 0 0 322.364 3.111 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000603151364 400650122 /nfs/dbraw/zinc/65/01/22/400650122.db2.gz QQCZMYYYCHTASP-QGZVFWFLSA-N 0 0 311.429 3.198 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000603163868 400651730 /nfs/dbraw/zinc/65/17/30/400651730.db2.gz SNZBBEDZNLWQDI-UHFFFAOYSA-N 0 0 313.279 3.361 10 30 DGEERN C=CCCCN(C)C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000076488844 400657658 /nfs/dbraw/zinc/65/76/58/400657658.db2.gz ZAXFGQZXKIMHNB-UHFFFAOYSA-N 0 0 300.406 3.126 10 30 DGEERN COC(=O)c1ccc(C)c(-c2ccc3c(C#N)nncc3c2)c1 ZINC000147892407 400653893 /nfs/dbraw/zinc/65/38/93/400653893.db2.gz WEUWWTMYAWDCCI-UHFFFAOYSA-N 0 0 303.321 3.264 10 30 DGEERN Cc1nc(C#N)n(Cc2cc(Br)ccc2C)c1C ZINC000603347325 400672954 /nfs/dbraw/zinc/67/29/54/400672954.db2.gz BAXLJVVRBVMUIL-UHFFFAOYSA-N 0 0 304.191 3.491 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)c1cncc(COC)c1 ZINC000613234380 400680241 /nfs/dbraw/zinc/68/02/41/400680241.db2.gz ALWZOOCCAHNPLJ-UHFFFAOYSA-N 0 0 324.384 3.174 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000618763057 400683907 /nfs/dbraw/zinc/68/39/07/400683907.db2.gz NIMKKOWNATUZBB-MLGOLLRUSA-N 0 0 309.356 3.467 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000077483700 400720194 /nfs/dbraw/zinc/72/01/94/400720194.db2.gz BGGHVDPJPMZRKZ-UHFFFAOYSA-N 0 0 324.446 3.299 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000077791761 400748788 /nfs/dbraw/zinc/74/87/88/400748788.db2.gz RUKGIBKHZWDKAG-UHFFFAOYSA-N 0 0 312.772 3.131 10 30 DGEERN C=CCOc1c(Br)cc(N)cc1Br ZINC000052856003 400750041 /nfs/dbraw/zinc/75/00/41/400750041.db2.gz LYKQGTWKNIFJRP-UHFFFAOYSA-N 0 0 306.985 3.359 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000077861638 400752455 /nfs/dbraw/zinc/75/24/55/400752455.db2.gz GMEDNNNJPIVUJZ-AWEZNQCLSA-N 0 0 318.417 3.227 10 30 DGEERN C=CCC1(C(=O)N2CC(Cc3ccc(C)cc3)C2)CCOCC1 ZINC000618894434 400712549 /nfs/dbraw/zinc/71/25/49/400712549.db2.gz FCIXKNFLYJNLHA-UHFFFAOYSA-N 0 0 313.441 3.369 10 30 DGEERN C=C(C)[C@H](CC(=O)NC1CCC2(CC2(F)F)CC1)OCC ZINC000619228936 400804738 /nfs/dbraw/zinc/80/47/38/400804738.db2.gz DYYCOZMTNWLHHX-OWYJLGKBSA-N 0 0 301.377 3.442 10 30 DGEERN CCOc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1C ZINC000172004219 400811189 /nfs/dbraw/zinc/81/11/89/400811189.db2.gz KYGRNTZKASEHGE-UHFFFAOYSA-N 0 0 312.344 3.335 10 30 DGEERN C=C=CC(=O)c1cc(Br)c(Br)s1 ZINC000167702842 400756982 /nfs/dbraw/zinc/75/69/82/400756982.db2.gz PVOLLLMHHWWIDL-UHFFFAOYSA-N 0 0 307.994 3.479 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C(C)(C)C)c1O ZINC000613632378 400765921 /nfs/dbraw/zinc/76/59/21/400765921.db2.gz WEPPLXCRAJRCKJ-HNNXBMFYSA-N 0 0 318.417 3.099 10 30 DGEERN C=CCC1(NC(=O)Cn2ccc(=O)c3ccccc32)CCCC1 ZINC000619103983 400768263 /nfs/dbraw/zinc/76/82/63/400768263.db2.gz HLBZWCNWNDCTJJ-UHFFFAOYSA-N 0 0 310.397 3.007 10 30 DGEERN C=CCC1(NC(=O)c2cc3c(cc2OC)OCO3)CCCC1 ZINC000619110734 400771799 /nfs/dbraw/zinc/77/17/99/400771799.db2.gz IHUWQYQSRNMHGT-UHFFFAOYSA-N 0 0 303.358 3.043 10 30 DGEERN C=C[C@](C)(O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619129619 400777819 /nfs/dbraw/zinc/77/78/19/400777819.db2.gz SRQFYAJNBDPEHJ-JTQLQIEISA-N 0 0 321.261 3.093 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000605883875 400887771 /nfs/dbraw/zinc/88/77/71/400887771.db2.gz SKZQNFADBHLKPE-AWEZNQCLSA-N 0 0 318.417 3.344 10 30 DGEERN C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(C#N)c1 ZINC000619658668 400879141 /nfs/dbraw/zinc/87/91/41/400879141.db2.gz LYVPLKKDLUSURU-WLYUNCDWSA-N 0 0 310.401 3.248 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1CCC(C#N)CC1 ZINC000619660847 400880105 /nfs/dbraw/zinc/88/01/05/400880105.db2.gz KAZMXXDRUJCOBK-WTNGLUPJSA-N 0 0 322.412 3.175 10 30 DGEERN C=CC[C@@H]1CC[C@H](N[C@@H](C(=O)OC)c2ccc(OC)cc2)C1 ZINC000593617616 400882558 /nfs/dbraw/zinc/88/25/58/400882558.db2.gz ZSQCCKKYUAAABP-UKPHBRMFSA-N 0 0 303.402 3.244 10 30 DGEERN N#Cc1ccc(CC(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000172348627 400823040 /nfs/dbraw/zinc/82/30/40/400823040.db2.gz PKEGVQDCDOFFMR-UHFFFAOYSA-N 0 0 320.392 3.348 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC[C@H]1NC(=O)[C@@H](C)CC(=C)C ZINC000613988118 400823258 /nfs/dbraw/zinc/82/32/58/400823258.db2.gz 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C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000621181074 401110307 /nfs/dbraw/zinc/11/03/07/401110307.db2.gz AIHYNOZVFXUZKA-ZIAGYGMSSA-N 0 0 303.402 3.170 10 30 DGEERN C=CCCn1cc(CSCCc2ccc3c(c2)CCO3)nn1 ZINC000594559615 401111067 /nfs/dbraw/zinc/11/10/67/401111067.db2.gz SCFVTYJBWAUNSH-UHFFFAOYSA-N 0 0 315.442 3.265 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000633963190 401166639 /nfs/dbraw/zinc/16/66/39/401166639.db2.gz FNZFNJSRQNLDEC-AWEZNQCLSA-N 0 0 318.392 3.360 10 30 DGEERN C=CCCC(C)(C)CNC(=O)CCc1nc(-c2ccco2)no1 ZINC000633962978 401166792 /nfs/dbraw/zinc/16/67/92/401166792.db2.gz BZSZMZNNRPNSIJ-UHFFFAOYSA-N 0 0 317.389 3.371 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1ccc(OC)c(OC)c1OC ZINC000633963090 401166840 /nfs/dbraw/zinc/16/68/40/401166840.db2.gz FAOLMUATVGKPTH-UHFFFAOYSA-N 0 0 321.417 3.435 10 30 DGEERN Cc1noc(C)c1CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000084928360 401162689 /nfs/dbraw/zinc/16/26/89/401162689.db2.gz HPUZOXHRTHHHLV-UHFFFAOYSA-N 0 0 300.318 3.116 10 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311.360 3.388 10 30 DGEERN C=C(C)CS(=O)(=O)N(C)[C@@H](CCc1ccccc1)C(F)F ZINC000625658914 401177756 /nfs/dbraw/zinc/17/77/56/401177756.db2.gz MQGSHDOGHOFEDT-AWEZNQCLSA-N 0 0 317.401 3.091 10 30 DGEERN CC[C@@](C)(NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000594862655 401176355 /nfs/dbraw/zinc/17/63/55/401176355.db2.gz OIPYUJDLFUVYET-CQSZACIVSA-N 0 0 312.822 3.069 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000625725136 401194026 /nfs/dbraw/zinc/19/40/26/401194026.db2.gz QZYZTQGBAVGIQU-NSHDSACASA-N 0 0 315.339 3.204 10 30 DGEERN C=CC(C)(C)CCNC(=O)C1(C(=O)OC(C)(C)C)CC=CC1 ZINC000600171751 401206905 /nfs/dbraw/zinc/20/69/05/401206905.db2.gz QMPTXDPGRJEFHB-UHFFFAOYSA-N 0 0 307.434 3.383 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000600215091 401226017 /nfs/dbraw/zinc/22/60/17/401226017.db2.gz YOQSIMKINDXINM-GFCCVEGCSA-N 0 0 315.373 3.207 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000621459457 401221412 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C=CCn1c([C@H]2CCCS2)nnc1N1CCC(C)(F)CC1 ZINC000634341140 401266836 /nfs/dbraw/zinc/26/68/36/401266836.db2.gz MKNCOWHZFNCPCM-GFCCVEGCSA-N 0 0 310.442 3.361 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CCF)CC1 ZINC000634374508 401277536 /nfs/dbraw/zinc/27/75/36/401277536.db2.gz SEKHEWPIXRPHBW-OAHLLOKOSA-N 0 0 322.428 3.282 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000630497773 401278499 /nfs/dbraw/zinc/27/84/99/401278499.db2.gz PFQLPZGGMVQHEO-OAHLLOKOSA-N 0 0 306.837 3.415 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc3c2ccn3C(F)F)C1=O ZINC000630520750 401282091 /nfs/dbraw/zinc/28/20/91/401282091.db2.gz GYCJTEXKLHPQQW-NSHDSACASA-N 0 0 319.311 3.427 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621506828 401239097 /nfs/dbraw/zinc/23/90/97/401239097.db2.gz CKKBFYNAEQPWAH-CYBMUJFWSA-N 0 0 304.381 3.044 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000634544883 401305845 /nfs/dbraw/zinc/30/58/45/401305845.db2.gz CRAQRDNKAYPYQB-UHFFFAOYSA-N 0 0 316.405 3.076 10 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3.476 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3oc(N(C)C)nc3c2)C1 ZINC000626445151 401358681 /nfs/dbraw/zinc/35/86/81/401358681.db2.gz KQOSATOFCSJWEA-GFCCVEGCSA-N 0 0 314.389 3.324 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000626452238 401359272 /nfs/dbraw/zinc/35/92/72/401359272.db2.gz ILUBPWHEFZHKSE-CQSZACIVSA-N 0 0 315.417 3.014 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000626460372 401360782 /nfs/dbraw/zinc/36/07/82/401360782.db2.gz FEBGYNHCSVJSPS-SNVBAGLBSA-N 0 0 310.195 3.274 10 30 DGEERN C=CCOc1ccc(C(=O)NCC[C@@H]2CC2(F)F)cc1OC ZINC000622204493 401361506 /nfs/dbraw/zinc/36/15/06/401361506.db2.gz XERDIKJWUKNFLX-GFCCVEGCSA-N 0 0 311.328 3.035 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(CCCO[C@H](C)c2ccccc2)C1=O ZINC000630964511 401362075 /nfs/dbraw/zinc/36/20/75/401362075.db2.gz IBAJMSMAINYZHP-ZBFHGGJFSA-N 0 0 316.401 3.041 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@H](CC)c2ccc(OC)cc2)C1=O ZINC000630966774 401362721 /nfs/dbraw/zinc/36/27/21/401362721.db2.gz 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AUFRRAMFPIUUQM-UHFFFAOYSA-N 0 0 320.433 3.448 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H]1c1cn(C)nc1C ZINC000624465259 401662900 /nfs/dbraw/zinc/66/29/00/401662900.db2.gz JLRCTBXFCYOYJX-HNNXBMFYSA-N 0 0 304.438 3.177 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000633357618 401675840 /nfs/dbraw/zinc/67/58/40/401675840.db2.gz QNLTYWAYRCFVHN-QZTJIDSGSA-N 0 0 316.445 3.189 10 30 DGEERN C=C(CC)CNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000633361751 401676412 /nfs/dbraw/zinc/67/64/12/401676412.db2.gz ZCPBGSPHUZDIHN-UHFFFAOYSA-N 0 0 303.328 3.028 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000633377630 401678263 /nfs/dbraw/zinc/67/82/63/401678263.db2.gz VEUSQJKMCOAWTJ-NSHDSACASA-N 0 0 317.389 3.496 10 30 DGEERN CC#CCCCC(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629387705 401683319 /nfs/dbraw/zinc/68/33/19/401683319.db2.gz ORZGBAHEAMJHKV-UHFFFAOYSA-N 0 0 323.440 3.006 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H]2CC[C@H](OCCC(C)C)CC2)C1=O ZINC000629482482 401687233 /nfs/dbraw/zinc/68/72/33/401687233.db2.gz BNRNVFZDRVTUKV-JYJNAYRXSA-N 0 0 322.449 3.247 10 30 DGEERN COc1ccccc1NC(=O)COc1c(C)cc(C#N)cc1C ZINC000131758460 164579449 /nfs/dbraw/zinc/57/94/49/164579449.db2.gz ISTUFCLFGQXSFP-UHFFFAOYSA-N 0 0 310.353 3.201 10 30 DGEERN N#Cc1cnccc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000364881151 287070988 /nfs/dbraw/zinc/07/09/88/287070988.db2.gz HXPHBCISXLLNHF-UHFFFAOYSA-N 0 0 303.369 3.214 10 30 DGEERN COCc1ccsc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000180275030 164878794 /nfs/dbraw/zinc/87/87/94/164878794.db2.gz HEPZGBFTVIAMIX-UHFFFAOYSA-N 0 0 300.383 3.038 10 30 DGEERN CCc1ccc(CNc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000185839751 165018555 /nfs/dbraw/zinc/01/85/55/165018555.db2.gz DKPUMAQCCPWRMI-UHFFFAOYSA-N 0 0 303.369 3.313 10 30 DGEERN N#Cc1cccnc1-n1cc(NC/C=C/c2ccccc2)cn1 ZINC000185840751 165019062 /nfs/dbraw/zinc/01/90/62/165019062.db2.gz HOUCFHOVJUSYIF-XBXARRHUSA-N 0 0 301.353 3.264 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCc3ccccc3C2)cn1 ZINC000186004987 165024378 /nfs/dbraw/zinc/02/43/78/165024378.db2.gz WOIMFZYWSIWBRQ-QGZVFWFLSA-N 0 0 315.380 3.108 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)Nc1c(C)onc1CC ZINC000186462090 165045495 /nfs/dbraw/zinc/04/54/95/165045495.db2.gz ZRQZJPRKKSTGMI-UHFFFAOYSA-N 0 0 314.345 3.460 10 30 DGEERN COc1cc(C)ccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188390090 165121993 /nfs/dbraw/zinc/12/19/93/165121993.db2.gz LFBYWJAQAXEIEG-UHFFFAOYSA-N 0 0 320.392 3.223 10 30 DGEERN C[C@@H](c1cccc(C#N)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000190039118 165187997 /nfs/dbraw/zinc/18/79/97/165187997.db2.gz HPSZIUZJSAQEPH-AWEZNQCLSA-N 0 0 321.428 3.042 10 30 DGEERN Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1S(C)(=O)=O ZINC000190392902 165202699 /nfs/dbraw/zinc/20/26/99/165202699.db2.gz MMSJPKCGVXXGJP-UHFFFAOYSA-N 0 0 318.373 3.021 10 30 DGEERN Cc1cc(C)n2c(nnc2SCc2ccc(C#N)c(F)c2)n1 ZINC000190998323 165224430 /nfs/dbraw/zinc/22/44/30/165224430.db2.gz UNCQRTCLEMYJDO-UHFFFAOYSA-N 0 0 313.361 3.044 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC([C@H]4CCCO4)CC3)CC2)cc1 ZINC000191154534 165232869 /nfs/dbraw/zinc/23/28/69/165232869.db2.gz VBFXQUZSFHKPDQ-GOSISDBHSA-N 0 0 324.424 3.007 10 30 DGEERN CC(C)(CNC(=O)c1ccnc(C#N)c1)c1cccc(Cl)c1 ZINC000193000642 165314845 /nfs/dbraw/zinc/31/48/45/165314845.db2.gz GPJGMFWBGHBHJG-UHFFFAOYSA-N 0 0 313.788 3.314 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccnc(Oc3ccccc3)c2)ccn1 ZINC000193245098 165320400 /nfs/dbraw/zinc/32/04/00/165320400.db2.gz RFSIRUYBPNLNQM-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccnc(C#N)c1 ZINC000193502891 165326259 /nfs/dbraw/zinc/32/62/59/165326259.db2.gz DWIXKYKAMGGFII-AWEZNQCLSA-N 0 0 323.396 3.369 10 30 DGEERN Cc1c2nc(NC(=O)c3ccnc(C#N)c3)sc2ccc1F ZINC000193508754 165326915 /nfs/dbraw/zinc/32/69/15/165326915.db2.gz LRALPVDVENVXCC-UHFFFAOYSA-N 0 0 312.329 3.263 10 30 DGEERN Cc1ccc(CNC(=O)c2ccnc(C#N)c2)c(OC(C)(C)C)c1 ZINC000193483693 165327571 /nfs/dbraw/zinc/32/75/71/165327571.db2.gz ZUTITVJPYPWBCH-UHFFFAOYSA-N 0 0 323.396 3.369 10 30 DGEERN Cc1cc(C)c(C#N)c(N2CCC(Cc3ccccn3)CC2)n1 ZINC000193569614 165329268 /nfs/dbraw/zinc/32/92/68/165329268.db2.gz XUJUERPMLXLEKR-UHFFFAOYSA-N 0 0 306.413 3.424 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccn1 ZINC000193625131 165329415 /nfs/dbraw/zinc/32/94/15/165329415.db2.gz XUWUIRSAXUFRRL-UHFFFAOYSA-N 0 0 316.242 3.096 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000194201297 165339177 /nfs/dbraw/zinc/33/91/77/165339177.db2.gz KRJMRPOUGARDPX-LLVKDONJSA-N 0 0 314.414 3.122 10 30 DGEERN Cc1csc([C@H]2CN(Cc3cc(C#N)ccc3F)CCO2)n1 ZINC000195388089 165368836 /nfs/dbraw/zinc/36/88/36/165368836.db2.gz NXPYSBHDSCRWNF-OAHLLOKOSA-N 0 0 317.389 3.036 10 30 DGEERN N#Cc1cnc(N(CCO)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000302746467 165897723 /nfs/dbraw/zinc/89/77/23/165897723.db2.gz SZGOHHFORBWYRX-UHFFFAOYSA-N 0 0 322.195 3.259 10 30 DGEERN N#Cc1cccc(NC(=O)NCCOc2ccc(F)cc2F)c1 ZINC000171680698 432159979 /nfs/dbraw/zinc/15/99/79/432159979.db2.gz JBICBNGRZHRJDQ-UHFFFAOYSA-N 0 0 317.295 3.037 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000190416176 432153854 /nfs/dbraw/zinc/15/38/54/432153854.db2.gz WHZJXLPLCIXWRJ-CQSZACIVSA-N 0 0 306.431 3.037 10 30 DGEERN CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000246811694 432169061 /nfs/dbraw/zinc/16/90/61/432169061.db2.gz RCDJNXWWRQCTKU-BTTYYORXSA-N 0 0 316.401 3.488 10 30 DGEERN N#Cc1ccc(Cl)cc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000171808370 432173475 /nfs/dbraw/zinc/17/34/75/432173475.db2.gz LBFPTLLNQRIFGP-AWEZNQCLSA-N 0 0 313.792 3.083 10 30 DGEERN N#Cc1ccc(Cl)cc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171808375 432173920 /nfs/dbraw/zinc/17/39/20/432173920.db2.gz LBFPTLLNQRIFGP-CQSZACIVSA-N 0 0 313.792 3.083 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CCC1 ZINC000190720066 432185815 /nfs/dbraw/zinc/18/58/15/432185815.db2.gz NQQBBIXHMBTZKS-CQSZACIVSA-N 0 0 310.401 3.191 10 30 DGEERN COCc1noc([C@H](C)SCc2ccc(C#N)c(F)c2)n1 ZINC000191012533 432210178 /nfs/dbraw/zinc/21/01/78/432210178.db2.gz FBXMAXZWQWNATP-VIFPVBQESA-N 0 0 307.350 3.221 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1ccc(F)cc1C#N ZINC000151194717 432228066 /nfs/dbraw/zinc/22/80/66/432228066.db2.gz CASZNNVINPEAON-UHFFFAOYSA-N 0 0 318.377 3.250 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000247254070 432217037 /nfs/dbraw/zinc/21/70/37/432217037.db2.gz DTVOTSVOFBMXJO-KFWWJZLASA-N 0 0 300.402 3.363 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182688435 432218923 /nfs/dbraw/zinc/21/89/23/432218923.db2.gz BYRNZBGKXPOEDI-ZHACJKMWSA-N 0 0 321.384 3.307 10 30 DGEERN Cc1cc(OC(F)F)c(C(=O)NC2(C#N)CCCC2)s1 ZINC000114537504 226932345 /nfs/dbraw/zinc/93/23/45/226932345.db2.gz WLYDHOBRPQMERS-UHFFFAOYSA-N 0 0 300.330 3.224 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC(Nc2ccccc2F)CC1 ZINC000126457691 227000040 /nfs/dbraw/zinc/00/00/40/227000040.db2.gz DDPXVSZGRCLQBG-CQSZACIVSA-N 0 0 300.381 3.146 10 30 DGEERN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000127027844 227001239 /nfs/dbraw/zinc/00/12/39/227001239.db2.gz WZOVFZLYFJMYQG-HZPDHXFCSA-N 0 0 324.428 3.073 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000184609984 335080782 /nfs/dbraw/zinc/08/07/82/335080782.db2.gz NBWQHFINLDIUEI-WMLDXEAASA-N 0 0 305.418 3.226 10 30 DGEERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000173208137 228279406 /nfs/dbraw/zinc/27/94/06/228279406.db2.gz ZTOKGKVZUNIYGL-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(F)cc2C#N)s1 ZINC000177578858 228333225 /nfs/dbraw/zinc/33/32/25/228333225.db2.gz WRJPKRWIBXPVBA-VIFPVBQESA-N 0 0 319.361 3.422 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000178563507 228343170 /nfs/dbraw/zinc/34/31/70/228343170.db2.gz PSGFXIYZWTUHOO-LBPRGKRZSA-N 0 0 304.353 3.234 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000178599003 228343528 /nfs/dbraw/zinc/34/35/28/228343528.db2.gz KYTCIHHDUQIRBE-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ncccc1OC(F)F ZINC000178669654 228345276 /nfs/dbraw/zinc/34/52/76/228345276.db2.gz KWMDHBJFQSXTLV-UHFFFAOYSA-N 0 0 303.268 3.115 10 30 DGEERN N#CCC[C@H](NC(=O)NCCCc1ccccn1)c1ccccc1 ZINC000178765204 228346020 /nfs/dbraw/zinc/34/60/20/228346020.db2.gz ZGRMNWNKJBALFU-SFHVURJKSA-N 0 0 322.412 3.358 10 30 DGEERN CON(Cc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180847742 228358781 /nfs/dbraw/zinc/35/87/81/228358781.db2.gz XMJYEJNDIOLZKO-UHFFFAOYSA-N 0 0 306.365 3.446 10 30 DGEERN C[C@@H](CNc1ccccc1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181898108 228364971 /nfs/dbraw/zinc/36/49/71/228364971.db2.gz RYQDMZFREVEWJC-HNNXBMFYSA-N 0 0 319.408 3.472 10 30 DGEERN CCOc1ncccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182936843 228369765 /nfs/dbraw/zinc/36/97/65/228369765.db2.gz HKRKBAPKGRVGMR-UHFFFAOYSA-N 0 0 307.353 3.288 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183973085 228379409 /nfs/dbraw/zinc/37/94/09/228379409.db2.gz XFDLBFJSLSUMTE-IIBYNOLFSA-N 0 0 318.420 3.433 10 30 DGEERN N#CC1(C(=O)N2CCC(Nc3nccs3)CC2)CCCCC1 ZINC000190382092 228506045 /nfs/dbraw/zinc/50/60/45/228506045.db2.gz IUTHKWSWRYPHCW-UHFFFAOYSA-N 0 0 318.446 3.020 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N[C@](C)(C#N)CCc2ccccc2)C[C@H](C)O1 ZINC000246101384 228622197 /nfs/dbraw/zinc/62/21/97/228622197.db2.gz JGVFYHAVTAIOLS-HIRMHNASSA-N 0 0 314.429 3.221 10 30 DGEERN COC1CCC(N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000272009507 228682703 /nfs/dbraw/zinc/68/27/03/228682703.db2.gz VUYYTSXJIWTGRX-UHFFFAOYSA-N 0 0 312.413 3.271 10 30 DGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000328721378 228910160 /nfs/dbraw/zinc/91/01/60/228910160.db2.gz WUSOKOXSYKUKEZ-YPMHNXCESA-N 0 0 300.358 3.203 10 30 DGEERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CCC(c2nccs2)CC1 ZINC000328753500 228911753 /nfs/dbraw/zinc/91/17/53/228911753.db2.gz NTCOXJLCWYXBTB-TZMCWYRMSA-N 0 0 323.462 3.194 10 30 DGEERN C[C@@H]1C[C@@H](CC(=O)N[C@H]2COC[C@H]2n2ccnn2)CC(C)(C)C1 ZINC000329108596 228927638 /nfs/dbraw/zinc/92/76/38/228927638.db2.gz FPOAIRBTOGONHT-CBBWQLFWSA-N 0 0 320.437 3.027 10 30 DGEERN Cc1noc2ncc(NC(=O)C[C@H]3CCCCNC3=O)cc12 ZINC000329288340 228936436 /nfs/dbraw/zinc/93/64/36/228936436.db2.gz PNGZSKPZSIBRKU-SNVBAGLBSA-N 0 0 302.334 3.266 10 30 DGEERN N#CC1(c2nc(C(C3CCC3)C3CCC3)no2)CCOCC1 ZINC000329571669 228949566 /nfs/dbraw/zinc/94/95/66/228949566.db2.gz IZMXTCJBSSMWCF-UHFFFAOYSA-N 0 0 301.390 3.325 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1csc(-c2ccccn2)n1 ZINC000329757715 228958327 /nfs/dbraw/zinc/95/83/27/228958327.db2.gz ZNJATBMIKUDREG-QWRGUYRKSA-N 0 0 313.386 3.223 10 30 DGEERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CC[C@H]2CCC[C@@H]21 ZINC000330264823 228985565 /nfs/dbraw/zinc/98/55/65/228985565.db2.gz YJOXQYVAIGMEGK-MFKMUULPSA-N 0 0 301.346 3.087 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000330535317 228996470 /nfs/dbraw/zinc/99/64/70/228996470.db2.gz JFXFEBHXPONZFY-AAEUAGOBSA-N 0 0 305.378 3.187 10 30 DGEERN N#C[C@@]1(c2nc(C(F)(F)C(F)(F)F)no2)CC12CCCC2 ZINC000333644753 229039250 /nfs/dbraw/zinc/03/92/50/229039250.db2.gz CRVBEKUWCFWBSH-SNVBAGLBSA-N 0 0 307.222 3.449 10 30 DGEERN N#C[C@@H]1CN(CCCc2c(F)cccc2Cl)CCN1C1CC1 ZINC000373913658 229559439 /nfs/dbraw/zinc/55/94/39/229559439.db2.gz YTURCRKKKWDSGU-CQSZACIVSA-N 0 0 321.827 3.084 10 30 DGEERN Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c(C)c1C ZINC000408339408 229623303 /nfs/dbraw/zinc/62/33/03/229623303.db2.gz PSEOFDCDARBMAU-CVEARBPZSA-N 0 0 320.458 3.199 10 30 DGEERN Cc1noc(C)c1CO[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000302159315 230132769 /nfs/dbraw/zinc/13/27/69/230132769.db2.gz OULBEVQFOCJHTQ-AWEZNQCLSA-N 0 0 315.348 3.098 10 30 DGEERN N#Cc1cc(Br)ccc1NCC[C@H](O)C(F)(F)F ZINC000358514503 269950585 /nfs/dbraw/zinc/95/05/85/269950585.db2.gz ZSKUSNGJSILSGI-JTQLQIEISA-N 0 0 323.112 3.046 10 30 DGEERN N#Cc1cc(Br)ccc1NCC[C@@H](O)C(F)(F)F ZINC000358514519 269950648 /nfs/dbraw/zinc/95/06/48/269950648.db2.gz ZSKUSNGJSILSGI-SNVBAGLBSA-N 0 0 323.112 3.046 10 30 DGEERN CC(C)c1csc(NC(=O)COc2ccccc2C#N)n1 ZINC000010637889 263755987 /nfs/dbraw/zinc/75/59/87/263755987.db2.gz CMBOUTBQXLTHCO-UHFFFAOYSA-N 0 0 301.371 3.156 10 30 DGEERN C[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576394 270004000 /nfs/dbraw/zinc/00/40/00/270004000.db2.gz UCYNLZQXJNWKPT-GTNSWQLSSA-N 0 0 302.324 3.221 10 30 DGEERN COC(=O)c1ccc(C)c(NCc2ccc(OC)c(C#N)c2)c1 ZINC000172688437 432228997 /nfs/dbraw/zinc/22/89/97/432228997.db2.gz JVKUEOVPAMHIAX-UHFFFAOYSA-N 0 0 310.353 3.274 10 30 DGEERN C=CCO[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000302182714 265624687 /nfs/dbraw/zinc/62/46/87/265624687.db2.gz SFUMASIPIDMMGD-CYBMUJFWSA-N 0 0 307.191 3.102 10 30 DGEERN CCO[C@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)C(C)C ZINC000361879533 266300595 /nfs/dbraw/zinc/30/05/95/266300595.db2.gz HWKLZQDWQVQMRG-MRXNPFEDSA-N 0 0 315.417 3.222 10 30 DGEERN COc1ccccc1C[C@H](C)N(C)C(=O)c1sccc1C#N ZINC000361950983 266899003 /nfs/dbraw/zinc/89/90/03/266899003.db2.gz ANSKRDUSIJWLFH-LBPRGKRZSA-N 0 0 314.410 3.332 10 30 DGEERN CC(C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000507503435 266958301 /nfs/dbraw/zinc/95/83/01/266958301.db2.gz WGJGZPUGPFYCII-JSGCOSHPSA-N 0 0 324.421 3.190 10 30 DGEERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376056143 267010989 /nfs/dbraw/zinc/01/09/89/267010989.db2.gz KOZPQUKIPJJCKM-ZTFGCOKTSA-N 0 0 310.397 3.060 10 30 DGEERN CCCCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(C#N)c2)C1(C)C ZINC000530916785 267011432 /nfs/dbraw/zinc/01/14/32/267011432.db2.gz LVPLDUODUYTGCX-IAGOWNOFSA-N 0 0 314.429 3.201 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531384860 267165716 /nfs/dbraw/zinc/16/57/16/267165716.db2.gz WYOKAOLVZWJOGE-UHFFFAOYSA-N 0 0 305.337 3.010 10 30 DGEERN CN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc(C#N)c1 ZINC000530674726 267317086 /nfs/dbraw/zinc/31/70/86/267317086.db2.gz HPPWOSBOYCDZKV-UHFFFAOYSA-N 0 0 300.308 3.038 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000531385550 268272998 /nfs/dbraw/zinc/27/29/98/268272998.db2.gz JESOVPYUMQTSIX-GOSISDBHSA-N 0 0 322.433 3.417 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000531385296 268273648 /nfs/dbraw/zinc/27/36/48/268273648.db2.gz FXYHHYHZXXLKEQ-SFHVURJKSA-N 0 0 322.383 3.331 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2c(F)cccc2Cl)c1 ZINC000530670258 268275970 /nfs/dbraw/zinc/27/59/70/268275970.db2.gz XUFMBBHOKBUANO-UHFFFAOYSA-N 0 0 302.736 3.210 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000530675944 268277014 /nfs/dbraw/zinc/27/70/14/268277014.db2.gz FPMMZTHFOQQTBV-UYAOXDASSA-N 0 0 320.392 3.137 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000530671577 268278025 /nfs/dbraw/zinc/27/80/25/268278025.db2.gz HQXHDCCVWHAPQN-UHFFFAOYSA-N 0 0 319.364 3.088 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3csnn3)cc2)c1 ZINC000531146107 268278055 /nfs/dbraw/zinc/27/80/55/268278055.db2.gz ICSCFLQETBDFLV-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN N#Cc1ccnc(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000357422952 268295747 /nfs/dbraw/zinc/29/57/47/268295747.db2.gz DZOYWAPLURDRIM-UHFFFAOYSA-N 0 0 317.295 3.126 10 30 DGEERN N#Cc1ccnc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000357414042 268295923 /nfs/dbraw/zinc/29/59/23/268295923.db2.gz MEFHCVOKIGDAIC-UHFFFAOYSA-N 0 0 303.321 3.124 10 30 DGEERN N#Cc1cnccc1N1CCC(c2nc3ccccc3o2)CC1 ZINC000372226453 271522348 /nfs/dbraw/zinc/52/23/48/271522348.db2.gz GZCFKCIJCROXKO-UHFFFAOYSA-N 0 0 304.353 3.478 10 30 DGEERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193463818 287818439 /nfs/dbraw/zinc/81/84/39/287818439.db2.gz ACRYBIRFXOSKSB-DIFFPNOSSA-N 0 0 309.344 3.146 10 30 DGEERN C#Cc1cccc(N2C(=O)[C@@H]3C[C@@H](C4CCCCC4)CN3C2=O)c1 ZINC000373077033 275388326 /nfs/dbraw/zinc/38/83/26/275388326.db2.gz BMOYKHWTXHMFTP-AEFFLSMTSA-N 0 0 322.408 3.405 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000626229440 429947865 /nfs/dbraw/zinc/94/78/65/429947865.db2.gz MAHALSCVBKLQPH-UHFFFAOYSA-N 0 0 308.329 3.281 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000626498384 429950605 /nfs/dbraw/zinc/95/06/05/429950605.db2.gz INTPJBNOCKVMQF-ZDUSSCGKSA-N 0 0 303.410 3.213 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ccn(C2CCSCC2)n1)OCC ZINC000633861181 429996876 /nfs/dbraw/zinc/99/68/76/429996876.db2.gz ZODISFXGZVQGRW-CQSZACIVSA-N 0 0 323.462 3.261 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C3CC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453465709 276866573 /nfs/dbraw/zinc/86/65/73/276866573.db2.gz MUQQCCAOONREAW-YJBOKZPZSA-N 0 0 316.449 3.116 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000437927067 276873706 /nfs/dbraw/zinc/87/37/06/276873706.db2.gz BWSBKLWKWRHCHX-NFSTUKRXSA-N 0 0 318.461 3.188 10 30 DGEERN CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000188709373 277088468 /nfs/dbraw/zinc/08/84/68/277088468.db2.gz CKUXLRLKYVUXNG-UHFFFAOYSA-N 0 0 317.392 3.073 10 30 DGEERN CC(C)(C)[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1O ZINC000408194185 277237951 /nfs/dbraw/zinc/23/79/51/277237951.db2.gz HCOVDRMFMYEVQZ-NVXWUHKLSA-N 0 0 313.445 3.065 10 30 DGEERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000168793873 277786562 /nfs/dbraw/zinc/78/65/62/277786562.db2.gz DZYXOUZSLOFLNI-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](OCC)C1(CC)CC ZINC000469538067 277808328 /nfs/dbraw/zinc/80/83/28/277808328.db2.gz QGSAUPQJMXKRCH-FXUDXRNXSA-N 0 0 309.450 3.068 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000278352696 277808694 /nfs/dbraw/zinc/80/86/94/277808694.db2.gz ZWHBAJMXVAFFAK-BXUZGUMPSA-N 0 0 319.792 3.146 10 30 DGEERN C=CCCS(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000372247550 277833664 /nfs/dbraw/zinc/83/36/64/277833664.db2.gz NANLAAZFZZLEEG-MRXNPFEDSA-N 0 0 322.474 3.323 10 30 DGEERN CN(C)C(=O)C1(CNc2cc(C#N)c3ccccc3n2)CCCC1 ZINC000609893863 430564135 /nfs/dbraw/zinc/56/41/35/430564135.db2.gz RLDOXZJGDWHRQI-UHFFFAOYSA-N 0 0 322.412 3.167 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621324385 430602477 /nfs/dbraw/zinc/60/24/77/430602477.db2.gz JPMQQLODMMEDJC-CVEARBPZSA-N 0 0 313.376 3.352 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)N(CCCC)CCCC ZINC000487358048 277900270 /nfs/dbraw/zinc/90/02/70/277900270.db2.gz PUENOYOYKVQEFB-OAHLLOKOSA-N 0 0 302.484 3.174 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1cc(C#N)cs1)C2 ZINC000123348164 278075551 /nfs/dbraw/zinc/07/55/51/278075551.db2.gz ZWEDGBIRXGYSNM-UHFFFAOYSA-N 0 0 300.431 3.035 10 30 DGEERN CCN(C(=O)[C@H]1Oc2ccccc2[C@H]1C)c1ccc(C#N)cc1 ZINC000151858539 279011959 /nfs/dbraw/zinc/01/19/59/279011959.db2.gz ZRWSEHGOEDBFSD-ACJLOTCBSA-N 0 0 306.365 3.476 10 30 DGEERN CC(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000328889305 279027201 /nfs/dbraw/zinc/02/72/01/279027201.db2.gz QSJUQBCHODLPSQ-JGGQBBKZSA-N 0 0 307.438 3.166 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC=CCC1 ZINC000068738907 431139715 /nfs/dbraw/zinc/13/97/15/431139715.db2.gz ZFFBLORZPFZQOF-HNNXBMFYSA-N 0 0 300.358 3.466 10 30 DGEERN N#Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109085165 431168599 /nfs/dbraw/zinc/16/85/99/431168599.db2.gz TXLRHCGNFFUFFA-LSDHHAIUSA-N 0 0 312.319 3.256 10 30 DGEERN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C#N)C2CC2)ccc1C(C)C ZINC000108830899 431156280 /nfs/dbraw/zinc/15/62/80/431156280.db2.gz LLGRPGCNHGOFNG-GUYCJALGSA-N 0 0 300.402 3.304 10 30 DGEERN CC(C)Oc1ccc(N[C@H](C)C(=O)N(C)CCC#N)cc1Cl ZINC000112523690 431278256 /nfs/dbraw/zinc/27/82/56/431278256.db2.gz VKMRVAPWYXIQHI-GFCCVEGCSA-N 0 0 323.824 3.300 10 30 DGEERN C=CCN(Cc1nccn1Cc1ccccc1)C(=O)NC(C)C ZINC000006689650 431317906 /nfs/dbraw/zinc/31/79/06/431317906.db2.gz DPCLNSYPIQYFEY-UHFFFAOYSA-N 0 0 312.417 3.037 10 30 DGEERN COc1ccc(Nc2ccccc2C(=O)N(C)CCC#N)cc1 ZINC000072053417 431328926 /nfs/dbraw/zinc/32/89/26/431328926.db2.gz WKHURAPMWGSUQH-UHFFFAOYSA-N 0 0 309.369 3.424 10 30 DGEERN O=C(N[C@H]1CCCCC12CCCC2)N1CCc2cncnc2C1 ZINC000329618669 279716213 /nfs/dbraw/zinc/71/62/13/279716213.db2.gz MAXOPUXZLYDRBZ-INIZCTEOSA-N 0 0 314.433 3.252 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000114511484 431395401 /nfs/dbraw/zinc/39/54/01/431395401.db2.gz NNDWHHGGRXGAHR-MRXNPFEDSA-N 0 0 323.400 3.278 10 30 DGEERN CC(C)NC(=O)c1ccccc1NCc1ccc(C#N)cc1F ZINC000075679477 431491598 /nfs/dbraw/zinc/49/15/98/431491598.db2.gz BDVXWSIUPKJJSU-UHFFFAOYSA-N 0 0 311.360 3.448 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000116973455 431542436 /nfs/dbraw/zinc/54/24/36/431542436.db2.gz XSIJDUAWNHBXBS-OCCSQVGLSA-N 0 0 302.374 3.226 10 30 DGEERN COc1ccc(/C=C2\COc3c(ccc(O)c3OC)C2=O)cc1 ZINC000013327557 431554404 /nfs/dbraw/zinc/55/44/04/431554404.db2.gz WOXQROZUZURVHX-FMIVXFBMSA-N 0 0 312.321 3.068 10 30 biogenic DGEERN Cc1ccccc1COc1ccc(-c2nnn(CCC#N)n2)cc1 ZINC000013744428 431569734 /nfs/dbraw/zinc/56/97/34/431569734.db2.gz SOZREISBPZPITQ-UHFFFAOYSA-N 0 0 319.368 3.141 10 30 DGEERN CC[C@@H]1CCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330281275 280315978 /nfs/dbraw/zinc/31/59/78/280315978.db2.gz UJPLWEKEWCQTGN-GNFNDJEDSA-N 0 0 319.449 3.310 10 30 DGEERN C=CCN(CC(=O)Nc1ccccc1OC)Cc1cccs1 ZINC000019540438 431617574 /nfs/dbraw/zinc/61/75/74/431617574.db2.gz XBJCMEPICRWROE-UHFFFAOYSA-N 0 0 316.426 3.383 10 30 DGEERN C=CCCC(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078153595 431643599 /nfs/dbraw/zinc/64/35/99/431643599.db2.gz FPHTXBKRMCFQFN-GASCZTMLSA-N 0 0 302.418 3.201 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1nc2ccccc2o1 ZINC000119544507 431703997 /nfs/dbraw/zinc/70/39/97/431703997.db2.gz CCFXOERCEQHANC-LBPRGKRZSA-N 0 0 321.336 3.130 10 30 DGEERN Cc1oc(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000120491035 431731516 /nfs/dbraw/zinc/73/15/16/431731516.db2.gz GOVVYSLCCUZPTI-ZBFHGGJFSA-N 0 0 315.417 3.361 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN1[C@@H](C)COC[C@@H]1C ZINC000120811893 431734044 /nfs/dbraw/zinc/73/40/44/431734044.db2.gz SSHQRIGFGBIXED-KBPBESRZSA-N 0 0 320.458 3.012 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000079811279 431748397 /nfs/dbraw/zinc/74/83/97/431748397.db2.gz KQPBTNFLKRAYFX-KRWDZBQOSA-N 0 0 317.429 3.212 10 30 DGEERN C=CCOCCCC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000079901031 431750666 /nfs/dbraw/zinc/75/06/66/431750666.db2.gz KFIGBTVIUMQTCS-UHFFFAOYSA-N 0 0 305.418 3.253 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C#N)cc1C ZINC000121457041 431789278 /nfs/dbraw/zinc/78/92/78/431789278.db2.gz BRBPJAULYNGBRR-INIZCTEOSA-N 0 0 300.402 3.288 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1CC(F)(F)F ZINC000081548889 431791045 /nfs/dbraw/zinc/79/10/45/431791045.db2.gz KZHPLORXYNEKSI-UHFFFAOYSA-N 0 0 307.275 3.254 10 30 DGEERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cccc(CC#N)c1 ZINC000081613020 431795300 /nfs/dbraw/zinc/79/53/00/431795300.db2.gz SRPNNGNOOHEEGM-OAHLLOKOSA-N 0 0 319.408 3.233 10 30 DGEERN C=CCOc1ccc(CNc2cccc(-c3nnnn3C)c2)cc1 ZINC000121715579 431805678 /nfs/dbraw/zinc/80/56/78/431805678.db2.gz JGNUVBSGAMQYSZ-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083654008 431811041 /nfs/dbraw/zinc/81/10/41/431811041.db2.gz QFFJAFOMZYCICZ-KBPBESRZSA-N 0 0 318.417 3.167 10 30 DGEERN Cc1ccc(OCCN(C)C(=O)c2cc(C#N)cs2)cc1 ZINC000084072680 431813923 /nfs/dbraw/zinc/81/39/23/431813923.db2.gz GRYKNNZRGRDATK-UHFFFAOYSA-N 0 0 300.383 3.079 10 30 DGEERN C[C@H]1Cc2ccccc2N1C(=O)NCCOc1ccc(C#N)cc1 ZINC000080468897 431769837 /nfs/dbraw/zinc/76/98/37/431769837.db2.gz PYQBFEWOQISHTK-AWEZNQCLSA-N 0 0 321.380 3.098 10 30 DGEERN Cc1ccccc1SCC(=O)N(CCC#N)CC(F)(F)F ZINC000080857581 431775718 /nfs/dbraw/zinc/77/57/18/431775718.db2.gz DBSWCHVPJDHYTO-UHFFFAOYSA-N 0 0 316.348 3.392 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000122898919 431847847 /nfs/dbraw/zinc/84/78/47/431847847.db2.gz KWMKFSPQYHNINM-HNNXBMFYSA-N 0 0 308.809 3.219 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1c[nH]nc1-c1cccnc1 ZINC000092136227 431908027 /nfs/dbraw/zinc/90/80/27/431908027.db2.gz PSQBTBWYKWVWBS-UHFFFAOYSA-N 0 0 322.343 3.235 10 30 DGEERN C=CCOc1ccccc1CN(CCOC)Cc1ccco1 ZINC000092562078 431909748 /nfs/dbraw/zinc/90/97/48/431909748.db2.gz TXVUYOQMYRWKEW-UHFFFAOYSA-N 0 0 301.386 3.493 10 30 DGEERN COc1cc(CCNC(=O)c2ccc(C#N)cc2C)ccc1C ZINC000125063746 431912726 /nfs/dbraw/zinc/91/27/26/431912726.db2.gz MKVLHKIMNOGPGP-UHFFFAOYSA-N 0 0 308.381 3.156 10 30 DGEERN N#CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000125260008 431919700 /nfs/dbraw/zinc/91/97/00/431919700.db2.gz AOXORJWAKVXOGF-KGLIPLIRSA-N 0 0 304.340 3.363 10 30 DGEERN Cc1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)nc1C#N ZINC000302675877 280878155 /nfs/dbraw/zinc/87/81/55/280878155.db2.gz UKNIOULQNQADQN-MRXNPFEDSA-N 0 0 313.788 3.493 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000124206195 431885972 /nfs/dbraw/zinc/88/59/72/431885972.db2.gz AGOWMEBJGKKIFS-UHFFFAOYSA-N 0 0 305.802 3.207 10 30 DGEERN N#Cc1ccc2ncc(CNc3cnn(-c4ccccc4)c3)n2c1 ZINC000124464651 431894765 /nfs/dbraw/zinc/89/47/65/431894765.db2.gz KLBQBOQEPXVWHW-UHFFFAOYSA-N 0 0 314.352 3.004 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000127516563 431974443 /nfs/dbraw/zinc/97/44/43/431974443.db2.gz LNXFCQXEDMURNX-OAHLLOKOSA-N 0 0 322.836 3.432 10 30 DGEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000098054875 431976583 /nfs/dbraw/zinc/97/65/83/431976583.db2.gz QPOKAAYSPSBTHO-YBFXNURJSA-N 0 0 324.340 3.316 10 30 DGEERN N#Cc1cnc(N[C@H]2CCCN(c3ccccc3Cl)C2)cn1 ZINC000125467937 431926708 /nfs/dbraw/zinc/92/67/08/431926708.db2.gz VXTYKGZDOYVIOG-LBPRGKRZSA-N 0 0 313.792 3.083 10 30 DGEERN CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000048666283 431930309 /nfs/dbraw/zinc/93/03/09/431930309.db2.gz DWJBZYGARKCVBB-LLVKDONJSA-N 0 0 312.822 3.022 10 30 DGEERN N#Cc1cc(NC(=O)Nc2c[nH]nc2-c2ccccn2)ccc1F ZINC000126281579 431946528 /nfs/dbraw/zinc/94/65/28/431946528.db2.gz YZFPPNFDIXOXDN-UHFFFAOYSA-N 0 0 322.303 3.126 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cnn2c1CCCC2 ZINC000126475269 431951661 /nfs/dbraw/zinc/95/16/61/431951661.db2.gz UPZXUPAOFKAREL-UHFFFAOYSA-N 0 0 309.413 3.090 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(CC(=O)OC(C)(C)C)C(C)C ZINC000127218944 431966918 /nfs/dbraw/zinc/96/69/18/431966918.db2.gz ASNQXOBJVAADDZ-UHFFFAOYSA-N 0 0 316.401 3.059 10 30 DGEERN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055651154 431984728 /nfs/dbraw/zinc/98/47/28/431984728.db2.gz XUDJSRDCQJHSTK-UHFFFAOYSA-N 0 0 324.764 3.176 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)CCOC ZINC000191479299 432269496 /nfs/dbraw/zinc/26/94/96/432269496.db2.gz KAOZGKWMTDTFQJ-UHFFFAOYSA-N 0 0 320.433 3.011 10 30 DGEERN N#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000151803677 432278084 /nfs/dbraw/zinc/27/80/84/432278084.db2.gz NRLYJQPFCCMPSO-HOTGVXAUSA-N 0 0 320.348 3.072 10 30 DGEERN C[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152012894 432296701 /nfs/dbraw/zinc/29/67/01/432296701.db2.gz NTUAWTPUDRGTSH-UGSOOPFHSA-N 0 0 324.355 3.300 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cccc(F)c2Cl)cc1 ZINC000173824652 432301471 /nfs/dbraw/zinc/30/14/71/432301471.db2.gz ISAOXWFDVBTHAB-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN C[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000128554664 431996409 /nfs/dbraw/zinc/99/64/09/431996409.db2.gz HHOMHOQRZBCHJT-KDOFPFPSSA-N 0 0 320.392 3.172 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000248064235 432266681 /nfs/dbraw/zinc/26/66/81/432266681.db2.gz PNXOXFZGRLUEAU-LXGCGDOSSA-N 0 0 307.393 3.121 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)CCC2CCCCC2)cn1 ZINC000183695114 432317267 /nfs/dbraw/zinc/31/72/67/432317267.db2.gz VYUSCWHZQSTNEZ-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN C(#Cc1ccccc1)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000191979148 432319619 /nfs/dbraw/zinc/31/96/19/432319619.db2.gz HOAUKGQQEMGDRC-GOSISDBHSA-N 0 0 320.440 3.193 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000183767465 432323771 /nfs/dbraw/zinc/32/37/71/432323771.db2.gz BTZSOFDSHKGUJA-ZDUSSCGKSA-N 0 0 324.428 3.238 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000248603241 432305000 /nfs/dbraw/zinc/30/50/00/432305000.db2.gz OLPSXBSCCGCTSL-ORIJERBGSA-N 0 0 300.402 3.266 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000153103899 432383462 /nfs/dbraw/zinc/38/34/62/432383462.db2.gz FYFRZFGGGZHZLM-UHFFFAOYSA-N 0 0 309.373 3.001 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)cc1OC ZINC000252734159 432388056 /nfs/dbraw/zinc/38/80/56/432388056.db2.gz HLLYLBQRORKWSS-IAGOWNOFSA-N 0 0 317.429 3.403 10 30 DGEERN Cc1cncc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000184494201 432398303 /nfs/dbraw/zinc/39/83/03/432398303.db2.gz OAECYKHOCSAUTL-ZDUSSCGKSA-N 0 0 304.357 3.016 10 30 DGEERN COc1ccc(COc2cccc(NC(=O)C3CC3)c2)cc1C#N ZINC000153318965 432399088 /nfs/dbraw/zinc/39/90/88/432399088.db2.gz ZYBACGWWSRZWJT-UHFFFAOYSA-N 0 0 322.364 3.494 10 30 DGEERN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccnc(C#N)c2)c1 ZINC000192714024 432403182 /nfs/dbraw/zinc/40/31/82/432403182.db2.gz DOQOGOOVZPIUPW-CYBMUJFWSA-N 0 0 309.369 3.231 10 30 DGEERN CCSc1nncn1N=Cc1cc(Br)cs1 ZINC000254489348 432403963 /nfs/dbraw/zinc/40/39/63/432403963.db2.gz UDKWIWKQMYLQSR-UHFFFAOYSA-N 0 0 317.237 3.096 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCC(C)(C)CC#N)C1 ZINC000184761651 432431124 /nfs/dbraw/zinc/43/11/24/432431124.db2.gz SQHKLJONOXBBRF-ZDUSSCGKSA-N 0 0 324.421 3.117 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC1CC1 ZINC000153757517 432439276 /nfs/dbraw/zinc/43/92/76/432439276.db2.gz YLGFBETTYLJAKA-UHFFFAOYSA-N 0 0 317.389 3.483 10 30 DGEERN CC(C)(C)OCc1cccc(CNC(=O)c2ccnc(C#N)c2)c1 ZINC000193074589 432445758 /nfs/dbraw/zinc/44/57/58/432445758.db2.gz HSYXCECKPUTDLN-UHFFFAOYSA-N 0 0 323.396 3.198 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000271827828 432426615 /nfs/dbraw/zinc/42/66/15/432426615.db2.gz RGPRHLZKFRXCEO-SWLSCSKDSA-N 0 0 306.362 3.143 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N(CC#N)c1ccccc1 ZINC000185282532 432486325 /nfs/dbraw/zinc/48/63/25/432486325.db2.gz LVXZGARKCCXPAX-UHFFFAOYSA-N 0 0 314.772 3.448 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000185583835 432512807 /nfs/dbraw/zinc/51/28/07/432512807.db2.gz NSUATYWAXHXIBW-DOTOQJQBSA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000185368482 432496443 /nfs/dbraw/zinc/49/64/43/432496443.db2.gz FZCVLBUORIREPU-JYJNAYRXSA-N 0 0 308.466 3.132 10 30 DGEERN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176187507 432499915 /nfs/dbraw/zinc/49/99/15/432499915.db2.gz JFEUCUWHDOKVOG-BLLLJJGKSA-N 0 0 311.360 3.259 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000185466367 432502670 /nfs/dbraw/zinc/50/26/70/432502670.db2.gz FAUVSBPHKLTRNH-KRWDZBQOSA-N 0 0 302.462 3.488 10 30 DGEERN CC#CCCCC(=O)N[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193860233 432503607 /nfs/dbraw/zinc/50/36/07/432503607.db2.gz XMFPRHCHKJEXIU-INIZCTEOSA-N 0 0 321.804 3.254 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)COc1ccccc1OC ZINC000185964193 432550931 /nfs/dbraw/zinc/55/09/31/432550931.db2.gz ILUQGJSMHMYGAM-CABCVRRESA-N 0 0 305.418 3.429 10 30 DGEERN COc1ccccc1N1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000176878817 432560479 /nfs/dbraw/zinc/56/04/79/432560479.db2.gz JBBVIOUPRNPDJI-UHFFFAOYSA-N 0 0 308.385 3.043 10 30 DGEERN Cc1cc(C#N)ccc1CSc1nnnn1-c1ccccc1 ZINC000186129191 432560629 /nfs/dbraw/zinc/56/06/29/432560629.db2.gz YEEZJSCYTWYUHA-UHFFFAOYSA-N 0 0 307.382 3.135 10 30 DGEERN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000272541588 432520764 /nfs/dbraw/zinc/52/07/64/432520764.db2.gz QBKCHLUMUQQVDB-QGZVFWFLSA-N 0 0 305.381 3.452 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)N(C)c2cc(Cl)ccc2C#N)n1 ZINC000176425952 432521353 /nfs/dbraw/zinc/52/13/53/432521353.db2.gz USHAHQAMFWYLRB-LBPRGKRZSA-N 0 0 316.792 3.249 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000185789166 432533258 /nfs/dbraw/zinc/53/32/58/432533258.db2.gz HOTWCNXPMROCBP-DOMZBBRYSA-N 0 0 320.820 3.164 10 30 DGEERN N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](c4ccccc4)C3)n2c1 ZINC000155061421 432537192 /nfs/dbraw/zinc/53/71/92/432537192.db2.gz HTLOOBPDAVCBHN-KRWDZBQOSA-N 0 0 302.381 3.195 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000185856908 432539328 /nfs/dbraw/zinc/53/93/28/432539328.db2.gz DQZLVACQRYITNH-NSHDSACASA-N 0 0 316.323 3.198 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1occc1CSc1ccccc1 ZINC000185891079 432542842 /nfs/dbraw/zinc/54/28/42/432542842.db2.gz DVQRGKDDWQEAAI-CQSZACIVSA-N 0 0 317.410 3.239 10 30 DGEERN C=CC[C@H](CO)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000185914351 432544885 /nfs/dbraw/zinc/54/48/85/432544885.db2.gz OVSKCBHMAIRGEM-VMWRSERWSA-N 0 0 301.430 3.404 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000185907546 432544927 /nfs/dbraw/zinc/54/49/27/432544927.db2.gz ASHUTXSSAADGAG-JTQLQIEISA-N 0 0 315.822 3.284 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000155272609 432548166 /nfs/dbraw/zinc/54/81/66/432548166.db2.gz KMRVBIZDSBOSAT-UHFFFAOYSA-N 0 0 302.683 3.402 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000176966986 432571482 /nfs/dbraw/zinc/57/14/82/432571482.db2.gz JFMRYCYENNZDBM-UHFFFAOYSA-N 0 0 313.788 3.359 10 30 DGEERN Cc1cc(C#N)ccc1CSc1nnnn1Cc1ccccc1 ZINC000186243857 432573465 /nfs/dbraw/zinc/57/34/65/432573465.db2.gz COPNDGAPDWQBRL-UHFFFAOYSA-N 0 0 321.409 3.194 10 30 DGEERN C=CCC[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC000186262016 432573906 /nfs/dbraw/zinc/57/39/06/432573906.db2.gz ZHVGFFYTPNILGH-MRXNPFEDSA-N 0 0 316.445 3.110 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(SC)c(Cl)c1 ZINC000186359656 432586557 /nfs/dbraw/zinc/58/65/57/432586557.db2.gz AXKUCTVSBZPQBZ-JTQLQIEISA-N 0 0 300.811 3.120 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186369959 432587149 /nfs/dbraw/zinc/58/71/49/432587149.db2.gz MZKUAFCKJSKRRR-CQSZACIVSA-N 0 0 315.335 3.081 10 30 DGEERN C=CCN(Cc1ccc2c(c1)sc(=O)n2C)CC(F)(F)F ZINC000194994872 432592474 /nfs/dbraw/zinc/59/24/74/432592474.db2.gz MOYJPRCDOPKINO-UHFFFAOYSA-N 0 0 316.348 3.150 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000186446719 432596391 /nfs/dbraw/zinc/59/63/91/432596391.db2.gz LXUGHAWKWYNKFA-LLVKDONJSA-N 0 0 302.353 3.075 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000273443731 432598584 /nfs/dbraw/zinc/59/85/84/432598584.db2.gz NGQOAAQCKANLIC-LBPRGKRZSA-N 0 0 310.369 3.062 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C)OCC ZINC000274298143 432648208 /nfs/dbraw/zinc/64/82/08/432648208.db2.gz FIWYCKFSYSYRQA-CZUORRHYSA-N 0 0 321.465 3.495 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000274271567 432645008 /nfs/dbraw/zinc/64/50/08/432645008.db2.gz BKABPUIVNXJTLL-HNNXBMFYSA-N 0 0 309.413 3.359 10 30 DGEERN Cc1ccc(C#N)cc1OCC(=O)Nc1cc(F)cc(F)c1 ZINC000177648262 432645666 /nfs/dbraw/zinc/64/56/66/432645666.db2.gz XBBSBFOMBHYXOE-UHFFFAOYSA-N 0 0 302.280 3.162 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCCC1(C)C ZINC000157324621 432618300 /nfs/dbraw/zinc/61/83/00/432618300.db2.gz MXBFCHXNDOCZIR-CZUORRHYSA-N 0 0 300.402 3.411 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 ZINC000110315071 288387354 /nfs/dbraw/zinc/38/73/54/288387354.db2.gz BQYDVWCUFJTXLU-NVXWUHKLSA-N 0 0 312.413 3.449 10 30 DGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187143050 432649019 /nfs/dbraw/zinc/64/90/19/432649019.db2.gz WPGXRXLNHOUDPJ-CYBMUJFWSA-N 0 0 318.421 3.194 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000274320199 432650993 /nfs/dbraw/zinc/65/09/93/432650993.db2.gz GFTQWFBVZYOQQA-KBPBESRZSA-N 0 0 323.437 3.364 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC000274325631 432652992 /nfs/dbraw/zinc/65/29/92/432652992.db2.gz HFKARQTYVLHOEQ-NSHDSACASA-N 0 0 303.328 3.006 10 30 DGEERN C#CCOc1ccccc1NC(=O)CCCC[C@@H](C)C(C)=O ZINC000187211076 432653198 /nfs/dbraw/zinc/65/31/98/432653198.db2.gz MCMXHHBJVDZPAC-CQSZACIVSA-N 0 0 301.386 3.423 10 30 DGEERN CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H](O)CC2=O ZINC000217344999 432655090 /nfs/dbraw/zinc/65/50/90/432655090.db2.gz RRKZQLKPNQKXFJ-JSQCUCEHSA-N 0 0 316.441 3.448 10 30 DGEERN N#Cc1ccc([C@H](O)CN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000177730840 432655726 /nfs/dbraw/zinc/65/57/26/432655726.db2.gz JZCBDWKDCRENLE-HXUWFJFHSA-N 0 0 317.392 3.131 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CC)[C@H](O)c1c(F)cccc1F ZINC000274392061 432660016 /nfs/dbraw/zinc/66/00/16/432660016.db2.gz OLDCKGIRYNZCPI-PJODQICGSA-N 0 0 311.372 3.495 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000265410870 432697627 /nfs/dbraw/zinc/69/76/27/432697627.db2.gz GQKWRBGACWGCSL-AWEZNQCLSA-N 0 0 313.401 3.076 10 30 DGEERN CCS[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188043005 432700648 /nfs/dbraw/zinc/70/06/48/432700648.db2.gz DKVYIGJAXFXWJP-HZPDHXFCSA-N 0 0 314.454 3.380 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000188052673 432700675 /nfs/dbraw/zinc/70/06/75/432700675.db2.gz XOXCXSLEMKGBOO-UGSOOPFHSA-N 0 0 321.417 3.110 10 30 DGEERN CN(C(=O)C1(c2ccc(C#N)cc2)CC1)c1nc2ccccc2o1 ZINC000188091830 432703396 /nfs/dbraw/zinc/70/33/96/432703396.db2.gz GYQQFYYALNLUTE-UHFFFAOYSA-N 0 0 317.348 3.394 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188104042 432705173 /nfs/dbraw/zinc/70/51/73/432705173.db2.gz RNVQYEOEHUJRQL-LLVKDONJSA-N 0 0 307.699 3.026 10 30 DGEERN COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(F)c1C#N ZINC000188275050 432716161 /nfs/dbraw/zinc/71/61/61/432716161.db2.gz MVNDPKBHYHTJJV-JTQLQIEISA-N 0 0 316.307 3.336 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000188378465 432722332 /nfs/dbraw/zinc/72/23/32/432722332.db2.gz VQQBVKXVIHNZKL-KRWDZBQOSA-N 0 0 315.373 3.212 10 30 DGEERN COc1ccc(F)cc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000188446283 432725261 /nfs/dbraw/zinc/72/52/61/432725261.db2.gz SZHIXEQKAMXXHE-UHFFFAOYSA-N 0 0 313.332 3.222 10 30 DGEERN C[C@H](C#N)CNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000187698890 432678681 /nfs/dbraw/zinc/67/86/81/432678681.db2.gz VOCORSWQOAKKKT-HQJQHLMTSA-N 0 0 321.249 3.027 10 30 DGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000178034772 432686374 /nfs/dbraw/zinc/68/63/74/432686374.db2.gz RLURZKNFAIAVAK-IVMMDQJWSA-N 0 0 318.442 3.116 10 30 DGEERN C=C(C)[C@H](NC(=O)NCC1(CCO)CC1)c1ccc(F)c(F)c1 ZINC000187834516 432688071 /nfs/dbraw/zinc/68/80/71/432688071.db2.gz NSFDBTGFDXMVCB-HNNXBMFYSA-N 0 0 324.371 3.044 10 30 DGEERN COCc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000187885961 432691907 /nfs/dbraw/zinc/69/19/07/432691907.db2.gz VFDWBSSXHSVYKL-UHFFFAOYSA-N 0 0 320.392 3.053 10 30 DGEERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(C#N)cn1C ZINC000188961060 432756171 /nfs/dbraw/zinc/75/61/71/432756171.db2.gz QBWPVQUWHLVJHV-UHFFFAOYSA-N 0 0 306.369 3.040 10 30 DGEERN CC(C)(C)n1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000189005384 432757508 /nfs/dbraw/zinc/75/75/08/432757508.db2.gz QLRZBFIDOVSLJA-UHFFFAOYSA-N 0 0 308.385 3.180 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000188481359 432726941 /nfs/dbraw/zinc/72/69/41/432726941.db2.gz ZTVZCPJYOUYBGI-IRXDYDNUSA-N 0 0 324.428 3.288 10 30 DGEERN CC[C@H](C#N)C(=O)c1cccc(C)c1I ZINC000233972960 432739182 /nfs/dbraw/zinc/73/91/82/432739182.db2.gz LGISNHJIXYAUGT-SECBINFHSA-N 0 0 313.138 3.332 10 30 DGEERN C=CC[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000189726080 432814761 /nfs/dbraw/zinc/81/47/61/432814761.db2.gz JCYKWTRBXHOIGZ-KRWDZBQOSA-N 0 0 309.413 3.476 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCOC[C@H]2C)c1 ZINC000277567517 432861417 /nfs/dbraw/zinc/86/14/17/432861417.db2.gz SGNFSAOTAYLWTN-CZUORRHYSA-N 0 0 304.390 3.188 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000277810916 432877012 /nfs/dbraw/zinc/87/70/12/432877012.db2.gz YGDXTZDZEQLMFZ-UAGQMJEPSA-N 0 0 302.418 3.418 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000288264947 432890486 /nfs/dbraw/zinc/89/04/86/432890486.db2.gz UJJFGSKLXILKPZ-GOSISDBHSA-N 0 0 322.408 3.168 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000277526643 432858455 /nfs/dbraw/zinc/85/84/55/432858455.db2.gz UIEFIXWUMOBFQI-UHFFFAOYSA-N 0 0 311.278 3.124 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@](C)(F)C1 ZINC000296679461 432925028 /nfs/dbraw/zinc/92/50/28/432925028.db2.gz BGEDCBFKJNQQAY-INIZCTEOSA-N 0 0 308.328 3.194 10 30 DGEERN O=C(NC1CC(F)(F)C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000330250595 432900106 /nfs/dbraw/zinc/90/01/06/432900106.db2.gz HGGFIDHOEYMAGS-LURJTMIESA-N 0 0 323.265 3.288 10 30 DGEERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330269233 432900555 /nfs/dbraw/zinc/90/05/55/432900555.db2.gz JDRXAYSHFZSOHY-APIJFGDWSA-N 0 0 301.390 3.140 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NCCc1ncccc1C ZINC000297362740 432993768 /nfs/dbraw/zinc/99/37/68/432993768.db2.gz DDJPSUCSVXBHQK-UHFFFAOYSA-N 0 0 309.413 3.330 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CCC)CCc2ccccn2)cc1 ZINC000297486574 432995894 /nfs/dbraw/zinc/99/58/94/432995894.db2.gz FGJSSKSXEPCSBM-UHFFFAOYSA-N 0 0 321.424 3.227 10 30 DGEERN Cc1nc(C)c(CNc2ncc(Br)cc2C#N)s1 ZINC000297057364 432953880 /nfs/dbraw/zinc/95/38/80/432953880.db2.gz IRBWMHHDHNEJMW-UHFFFAOYSA-N 0 0 323.219 3.401 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000297102770 432958688 /nfs/dbraw/zinc/95/86/88/432958688.db2.gz WNMIOFHVMMTVNN-SECBINFHSA-N 0 0 307.341 3.354 10 30 DGEERN C=CCC[C@H](C)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000290229546 433017614 /nfs/dbraw/zinc/01/76/14/433017614.db2.gz SQZSAYQNKHCUBE-AAEUAGOBSA-N 0 0 301.390 3.206 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297797657 433017949 /nfs/dbraw/zinc/01/79/49/433017949.db2.gz RWGAERYRLWEXSD-SECBINFHSA-N 0 0 323.194 3.033 10 30 DGEERN C[C@@]1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCCNC1=O ZINC000330298080 289157231 /nfs/dbraw/zinc/15/72/31/289157231.db2.gz HFGUFZKFTAVMPW-MRXNPFEDSA-N 0 0 316.336 3.356 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)nc(-c2ccccn2)n1 ZINC000280520355 433070237 /nfs/dbraw/zinc/07/02/37/433070237.db2.gz DUGLBWPSBXMCQO-PBHICJAKSA-N 0 0 310.401 3.240 10 30 DGEERN C=CCNC(=O)c1ccc(N[C@@H](C)CCc2ccc(C)o2)nc1 ZINC000361291238 433085990 /nfs/dbraw/zinc/08/59/90/433085990.db2.gz WQGGPLGDJIAWLV-ZDUSSCGKSA-N 0 0 313.401 3.332 10 30 DGEERN C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298319799 433094066 /nfs/dbraw/zinc/09/40/66/433094066.db2.gz RYISUFNRXWVNNJ-SJKOYZFVSA-N 0 0 319.836 3.141 10 30 DGEERN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)ccn1 ZINC000334013618 433144991 /nfs/dbraw/zinc/14/49/91/433144991.db2.gz XEUQBEOERCRRKB-GOSISDBHSA-N 0 0 317.392 3.363 10 30 DGEERN N#Cc1cnccc1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000373459381 433153205 /nfs/dbraw/zinc/15/32/05/433153205.db2.gz LKHMGLGYDYIFLR-GOSISDBHSA-N 0 0 304.328 3.111 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1scnc1C ZINC000298361722 433107506 /nfs/dbraw/zinc/10/75/06/433107506.db2.gz LOENEXCBFCIMDV-INIZCTEOSA-N 0 0 312.438 3.135 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O ZINC000420099023 433111374 /nfs/dbraw/zinc/11/13/74/433111374.db2.gz DZPFYPIUIWQDAK-BDXSIMOUSA-N 0 0 324.424 3.237 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)[C@@H](CC)N(C2CC2)C1=O ZINC000420123628 433112459 /nfs/dbraw/zinc/11/24/59/433112459.db2.gz OXJQZVOUBGGBAE-DLBZAZTESA-N 0 0 312.413 3.379 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(F)c(C(=O)OC)c1F ZINC000290601586 433114881 /nfs/dbraw/zinc/11/48/81/433114881.db2.gz XWSCABMLGMPGQX-UHFFFAOYSA-N 0 0 312.316 3.181 10 30 DGEERN C=CCCOCCNC(=O)c1cnccc1Oc1ccccc1 ZINC000337189940 433208056 /nfs/dbraw/zinc/20/80/56/433208056.db2.gz WCZZFJWAEOYKNT-UHFFFAOYSA-N 0 0 312.369 3.196 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373992685 433172319 /nfs/dbraw/zinc/17/23/19/433172319.db2.gz YHIUOJQEKFGKQF-BPQIPLTHSA-N 0 0 324.428 3.382 10 30 DGEERN C=CCn1c(N2Cc3ccccc3C2)nnc1[C@@]1(C)CCCO1 ZINC000453435585 433182785 /nfs/dbraw/zinc/18/27/85/433182785.db2.gz GQNUZNUGHDPOBG-GOSISDBHSA-N 0 0 310.401 3.010 10 30 DGEERN C#CCOCCC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000374273311 433183660 /nfs/dbraw/zinc/18/36/60/433183660.db2.gz LUARFHJHKOWXCW-UHFFFAOYSA-N 0 0 323.795 3.167 10 30 DGEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](COC)CC1 ZINC000453447970 433191240 /nfs/dbraw/zinc/19/12/40/433191240.db2.gz BOKYYWWFGMDWKU-OAHLLOKOSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@@H](COC)CC2)nnc1C(C)(C)C ZINC000453448543 433191756 /nfs/dbraw/zinc/19/17/56/433191756.db2.gz CSZOGDOVHDHAPB-OAHLLOKOSA-N 0 0 320.481 3.405 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453462809 433199209 /nfs/dbraw/zinc/19/92/09/433199209.db2.gz IRRHQMMMOJIRCQ-RKVPGOIHSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCCCN(C)c1nnc([C@@]2(C)CCCO2)n1CC(=C)C ZINC000453471132 433200494 /nfs/dbraw/zinc/20/04/94/433200494.db2.gz RXSYQOJWMSHYMQ-QGZVFWFLSA-N 0 0 304.438 3.282 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000374540891 433215944 /nfs/dbraw/zinc/21/59/44/433215944.db2.gz ICJCMVHNVSPNSJ-CYBMUJFWSA-N 0 0 307.821 3.322 10 30 DGEERN C=CC[C@@H](CO)CNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000447691450 433257827 /nfs/dbraw/zinc/25/78/27/433257827.db2.gz RNRMZZUDPAWQLT-CQSZACIVSA-N 0 0 309.413 3.248 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(OCC)ccc1Cl ZINC000453653308 433259755 /nfs/dbraw/zinc/25/97/55/433259755.db2.gz POPGZRBNNRJDIG-UHFFFAOYSA-N 0 0 324.808 3.102 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000281131927 433267311 /nfs/dbraw/zinc/26/73/11/433267311.db2.gz YUMYREDFQOXNEZ-QWHCGFSZSA-N 0 0 306.406 3.419 10 30 DGEERN C=CCC[C@H](CO)Nc1nccc2cc(Br)ccc21 ZINC000413315323 433273479 /nfs/dbraw/zinc/27/34/79/433273479.db2.gz JXBIDAIOCQOQPI-CYBMUJFWSA-N 0 0 321.218 3.736 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000447930202 433325216 /nfs/dbraw/zinc/32/52/16/433325216.db2.gz LOROPCOJQOARFR-UHFFFAOYSA-N 0 0 311.300 3.089 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000425563268 433301732 /nfs/dbraw/zinc/30/17/32/433301732.db2.gz INQUCNHXVUNNAP-NJAFHUGGSA-N 0 0 316.445 3.159 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000425569144 433306088 /nfs/dbraw/zinc/30/60/88/433306088.db2.gz XXZVXNHQUHHUPJ-JONQDZQNSA-N 0 0 308.466 3.434 10 30 DGEERN C=CCC1(CNC(=O)NCCc2c(C)nn(C)c2C)CCCC1 ZINC000454259673 433349115 /nfs/dbraw/zinc/34/91/15/433349115.db2.gz LGXNKJNSSMUMQD-UHFFFAOYSA-N 0 0 318.465 3.015 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1ccc(Cl)cc1COC ZINC000425721432 433352379 /nfs/dbraw/zinc/35/23/79/433352379.db2.gz UJMXWIJTMNVKQQ-UHFFFAOYSA-N 0 0 312.797 3.153 10 30 DGEERN C=CCCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000448037334 433354381 /nfs/dbraw/zinc/35/43/81/433354381.db2.gz CIQXXLBQDVZSJK-UHFFFAOYSA-N 0 0 321.852 3.133 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000448031067 433356602 /nfs/dbraw/zinc/35/66/02/433356602.db2.gz OQOKDBFOLNQPBT-INIZCTEOSA-N 0 0 306.381 3.183 10 30 DGEERN C=CCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000414035545 433359003 /nfs/dbraw/zinc/35/90/03/433359003.db2.gz OCJRQUMZYWZETB-UHFFFAOYSA-N 0 0 324.446 3.058 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCC2)c2ccccc21 ZINC000425852067 433362422 /nfs/dbraw/zinc/36/24/22/433362422.db2.gz HWTNAGHKXSXZQB-YOEHRIQHSA-N 0 0 312.413 3.229 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425862011 433364347 /nfs/dbraw/zinc/36/43/47/433364347.db2.gz CLQDEODRXRLPLZ-MUJYYYPQSA-N 0 0 300.402 3.191 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000425856685 433364420 /nfs/dbraw/zinc/36/44/20/433364420.db2.gz OSHMSCWLMYXBAM-YDHLFZDLSA-N 0 0 304.390 3.106 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000299566758 433371701 /nfs/dbraw/zinc/37/17/01/433371701.db2.gz GJKLTTHAVHCVHU-CQSZACIVSA-N 0 0 321.490 3.233 10 30 DGEERN C[C@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccc(C#N)cc1 ZINC000291724719 433327361 /nfs/dbraw/zinc/32/73/61/433327361.db2.gz XAWYQDIORSLTRW-PEYYIBSZSA-N 0 0 319.355 3.306 10 30 DGEERN C=CCCCNC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000447964466 433332847 /nfs/dbraw/zinc/33/28/47/433332847.db2.gz QJRSAQKBRQRHHY-LLVKDONJSA-N 0 0 318.352 3.202 10 30 DGEERN C=CCCCNC(=O)NCC1(c2ccc(OC)cc2)CCC1 ZINC000448000079 433343199 /nfs/dbraw/zinc/34/31/99/433343199.db2.gz OMAWJLWZYGHEJC-UHFFFAOYSA-N 0 0 302.418 3.382 10 30 DGEERN C=CCCCNC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000448385739 433402286 /nfs/dbraw/zinc/40/22/86/433402286.db2.gz TUAVWEZEAZBBKY-UHFFFAOYSA-N 0 0 316.445 3.470 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000448375098 433404114 /nfs/dbraw/zinc/40/41/14/433404114.db2.gz LZJKARLPPKPPGZ-UHFFFAOYSA-N 0 0 322.408 3.298 10 30 DGEERN C=C(C)CCNC(=O)NCCc1ccccc1Br ZINC000454412116 433417028 /nfs/dbraw/zinc/41/70/28/433417028.db2.gz UNDLPBRKRGHOHW-UHFFFAOYSA-N 0 0 311.223 3.257 10 30 DGEERN C[C@@H](COc1ccc(F)cc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301117798 433420290 /nfs/dbraw/zinc/42/02/90/433420290.db2.gz WFIKOFGWCRVSSZ-NSHDSACASA-N 0 0 315.304 3.485 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000454422183 433422450 /nfs/dbraw/zinc/42/24/50/433422450.db2.gz FZAFHLQEVHGVFI-GHMZBOCLSA-N 0 0 310.385 3.278 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncccc1C ZINC000426134972 433424257 /nfs/dbraw/zinc/42/42/57/433424257.db2.gz BPUUNUVUAWGOCJ-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N1CC(C)(CC)C1 ZINC000361920422 433453165 /nfs/dbraw/zinc/45/31/65/433453165.db2.gz XUXSSBBVJPLHAO-UHFFFAOYSA-N 0 0 300.402 3.002 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cnnc(-c2ccccc2)c1 ZINC000361933101 433459193 /nfs/dbraw/zinc/45/91/93/433459193.db2.gz UMKLQQZNXAHQKA-SFHVURJKSA-N 0 0 308.385 3.202 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448746884 433525699 /nfs/dbraw/zinc/52/56/99/433525699.db2.gz CZKPVHWINKHBRC-ZIAGYGMSSA-N 0 0 313.319 3.408 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000282217296 433530356 /nfs/dbraw/zinc/53/03/56/433530356.db2.gz SFXLBXPUMIAFEF-GDBMZVCRSA-N 0 0 300.402 3.207 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)C(=O)NC ZINC000455242157 433536116 /nfs/dbraw/zinc/53/61/16/433536116.db2.gz HDORMMUXGNBJDU-OAHLLOKOSA-N 0 0 317.433 3.185 10 30 DGEERN CC1(C)C[C@@]1(C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000362173856 433561784 /nfs/dbraw/zinc/56/17/84/433561784.db2.gz QGSLKMZTYLFXMQ-AWEZNQCLSA-N 0 0 313.184 3.181 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000456283129 433569864 /nfs/dbraw/zinc/56/98/64/433569864.db2.gz XWSUGCSJYJSBRJ-AEFFLSMTSA-N 0 0 315.413 3.116 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000426724092 433572073 /nfs/dbraw/zinc/57/20/73/433572073.db2.gz PFJAALRVCQIFPX-MUJYYYPQSA-N 0 0 315.373 3.091 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@]2(C)C(=O)[O-])cc1 ZINC000426726541 433576192 /nfs/dbraw/zinc/57/61/92/433576192.db2.gz KIVLPUQTQOOLMF-FUHWJXTLSA-N 0 0 303.402 3.375 10 30 DGEERN COc1ccc(C2(NC(=O)c3ccc(C#N)n3C)CCCC2)cc1 ZINC000448858993 433581409 /nfs/dbraw/zinc/58/14/09/433581409.db2.gz WUPXZMVBYAIKOV-UHFFFAOYSA-N 0 0 323.396 3.105 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000292622009 433582566 /nfs/dbraw/zinc/58/25/66/433582566.db2.gz GCSFDURZVKPZQW-SNVBAGLBSA-N 0 0 315.291 3.096 10 30 DGEERN C=CCOc1ccc(C[N@@H+]2CCC23CCOCC3)cc1OC ZINC000375734372 433545162 /nfs/dbraw/zinc/54/51/62/433545162.db2.gz VCHFWVKRWAVEDC-UHFFFAOYSA-N 0 0 303.402 3.015 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000362143848 433546336 /nfs/dbraw/zinc/54/63/36/433546336.db2.gz YLDPINDFUXVABP-QZTJIDSGSA-N 0 0 316.420 3.456 10 30 DGEERN C=CCN(Cc1c(C)nn(-c2ccccn2)c1C)CC(F)(F)F ZINC000282787192 433628137 /nfs/dbraw/zinc/62/81/37/433628137.db2.gz LNXYBPMUHPLNCE-UHFFFAOYSA-N 0 0 324.350 3.434 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC2CCC1CC2 ZINC000362304615 433632226 /nfs/dbraw/zinc/63/22/26/433632226.db2.gz GXFFQEWJVPDIKQ-JFUPDXTOSA-N 0 0 312.413 3.363 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000293176238 433643628 /nfs/dbraw/zinc/64/36/28/433643628.db2.gz GWPHFACQBJRMGW-QZTJIDSGSA-N 0 0 312.413 3.278 10 30 DGEERN C=CCCCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000301528375 433595806 /nfs/dbraw/zinc/59/58/06/433595806.db2.gz JXXMIDHMJDOHLX-UHFFFAOYSA-N 0 0 300.156 3.155 10 30 DGEERN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(C)oc1C ZINC000293018415 433611217 /nfs/dbraw/zinc/61/12/17/433611217.db2.gz PMOIWBRPIRNRSD-UHFFFAOYSA-N 0 0 312.377 3.208 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000375939793 433619504 /nfs/dbraw/zinc/61/95/04/433619504.db2.gz CZIBAQXRCLYLSN-OAHLLOKOSA-N 0 0 304.409 3.467 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282643668 433623680 /nfs/dbraw/zinc/62/36/80/433623680.db2.gz OWSUXEJANHZDDG-UHFFFAOYSA-N 0 0 323.234 3.300 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCn2c(cc3ccccc32)C1 ZINC000362382863 433669046 /nfs/dbraw/zinc/66/90/46/433669046.db2.gz FFBAJSLDFOQXHH-IBGZPJMESA-N 0 0 312.413 3.212 10 30 DGEERN C=CCC1(CNC(=O)C[C@@H](O)Cc2ccccc2)CCCC1 ZINC000456499935 433694603 /nfs/dbraw/zinc/69/46/03/433694603.db2.gz CESCZZIODBYFPA-KRWDZBQOSA-N 0 0 301.430 3.233 10 30 DGEERN C[C@H](O)[C@H]1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000301755131 433708405 /nfs/dbraw/zinc/70/84/05/433708405.db2.gz CXEFLFIXRFOJSA-RYUDHWBXSA-N 0 0 315.804 3.357 10 30 DGEERN Cc1cc(Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C#N)c(C)n1 ZINC000301767018 433710590 /nfs/dbraw/zinc/71/05/90/433710590.db2.gz HQJKQEGKQIXDRC-NSHDSACASA-N 0 0 308.341 3.033 10 30 DGEERN C#CCC1(C(=O)N2CC[C@H](Cc3ccncc3)C2)CCCCC1 ZINC000376410063 433733497 /nfs/dbraw/zinc/73/34/97/433733497.db2.gz BEXZHHVATVEIPI-GOSISDBHSA-N 0 0 310.441 3.446 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339704385 433738194 /nfs/dbraw/zinc/73/81/94/433738194.db2.gz IQTXGLPGTDZHTL-RDJZCZTQSA-N 0 0 300.308 3.149 10 30 DGEERN C=CCC(F)(F)C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000293438739 433741328 /nfs/dbraw/zinc/74/13/28/433741328.db2.gz WMYNFWDKEJJUGD-FZMZJTMJSA-N 0 0 313.319 3.326 10 30 DGEERN C=CCOCCCC(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000456607705 433746511 /nfs/dbraw/zinc/74/65/11/433746511.db2.gz MRAMEISKMVALTH-MRXNPFEDSA-N 0 0 302.418 3.057 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(C)c2ccccc21)OCC ZINC000456605543 433747610 /nfs/dbraw/zinc/74/76/10/433747610.db2.gz KPVKGTBMMDNCME-SJLPKXTDSA-N 0 0 316.445 3.445 10 30 DGEERN C=CCOc1ccc(CNCc2nnc(C3CC3)s2)cc1 ZINC000414558606 433723747 /nfs/dbraw/zinc/72/37/47/433723747.db2.gz SXWFQUJLVNOXPS-UHFFFAOYSA-N 0 0 301.415 3.270 10 30 DGEERN Cc1cc(NCc2ccc(N3CCCC3=O)cc2)c(C#N)c(C)n1 ZINC000301789197 433725354 /nfs/dbraw/zinc/72/53/54/433725354.db2.gz PXALBYAUYUWSEZ-UHFFFAOYSA-N 0 0 320.396 3.309 10 30 DGEERN C=CC[C@H](C(=O)Nc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000429284349 433774162 /nfs/dbraw/zinc/77/41/62/433774162.db2.gz COEQCNWXSNJJGF-NSHDSACASA-N 0 0 309.291 3.727 10 30 DGEERN N#Cc1ccc(F)cc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339778588 433774386 /nfs/dbraw/zinc/77/43/86/433774386.db2.gz DTUUBTCIYXZWME-QZTJIDSGSA-N 0 0 314.335 3.144 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000376646199 433794627 /nfs/dbraw/zinc/79/46/27/433794627.db2.gz YZJYVLMMKUQRKS-UHFFFAOYSA-N 0 0 324.811 3.369 10 30 DGEERN CN(C)[C@H](C(=O)N1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000356979411 433796944 /nfs/dbraw/zinc/79/69/44/433796944.db2.gz RXRALGOIFDRBSD-HNNXBMFYSA-N 0 0 319.836 3.095 10 30 DGEERN CN(Cc1nccn1C)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301926146 433798783 /nfs/dbraw/zinc/79/87/83/433798783.db2.gz MSKZXIWLLXIQHE-UHFFFAOYSA-N 0 0 311.776 3.130 10 30 DGEERN N#Cc1ccc(Sc2nnc(Nc3ccccc3)s2)nn1 ZINC000301935739 433800093 /nfs/dbraw/zinc/80/00/93/433800093.db2.gz RCZZFTPNHGESIJ-UHFFFAOYSA-N 0 0 312.383 3.095 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](NC(=O)CCC)C2)CCCC1 ZINC000449830792 433825384 /nfs/dbraw/zinc/82/53/84/433825384.db2.gz QWKRYGFLJSXJOW-HNNXBMFYSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCO[C@@H]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000302157921 433817850 /nfs/dbraw/zinc/81/78/50/433817850.db2.gz NGPMWCZJATVKMU-CYBMUJFWSA-N 0 0 313.357 3.233 10 30 DGEERN C=CCC1(C(=O)N2CCC(C(=O)N(CC)CC)CC2)CCCC1 ZINC000449816640 433818287 /nfs/dbraw/zinc/81/82/87/433818287.db2.gz YWYVKFSFSKQMCO-UHFFFAOYSA-N 0 0 320.477 3.230 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000456772473 433818693 /nfs/dbraw/zinc/81/86/93/433818693.db2.gz WWNBSAXGPDNNGM-JTQLQIEISA-N 0 0 319.298 3.210 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000456775266 433820780 /nfs/dbraw/zinc/82/07/80/433820780.db2.gz KSFZIOLEEBFUGH-WBVHZDCISA-N 0 0 319.445 3.411 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1ncnc2c3ccccc3oc21 ZINC000435584507 433875042 /nfs/dbraw/zinc/87/50/42/433875042.db2.gz MCPNQLOTJLVRCD-BLLLJJGKSA-N 0 0 309.369 3.769 10 30 DGEERN CN(CC#N)C(=O)c1sc2ccccc2c1Br ZINC000362698859 433826475 /nfs/dbraw/zinc/82/64/75/433826475.db2.gz QYYILKRZYVKINM-UHFFFAOYSA-N 0 0 309.188 3.259 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000362705917 433829411 /nfs/dbraw/zinc/82/94/11/433829411.db2.gz YZFVITLMRUBQAD-NOZJJQNGSA-N 0 0 309.207 3.310 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@@H](CC)c2ccccc2)s1 ZINC000433204601 433841001 /nfs/dbraw/zinc/84/10/01/433841001.db2.gz BRLDGMFSXAZTMG-ZDUSSCGKSA-N 0 0 301.415 3.622 10 30 DGEERN C[C@@H](CN1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000377010932 433844952 /nfs/dbraw/zinc/84/49/52/433844952.db2.gz WTNNANPOWSVLMI-GUYCJALGSA-N 0 0 303.837 3.116 10 30 DGEERN C=CCCCCCCNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000377046768 433846192 /nfs/dbraw/zinc/84/61/92/433846192.db2.gz ZDWYKRDHIPLDKV-UHFFFAOYSA-N 0 0 304.438 3.435 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000377125523 433847615 /nfs/dbraw/zinc/84/76/15/433847615.db2.gz BHAVVKBMENEQIW-UHFFFAOYSA-N 0 0 309.365 3.032 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ncsc1Br ZINC000344154804 433852696 /nfs/dbraw/zinc/85/26/96/433852696.db2.gz ZEKBDJFHNIGBOD-MRVPVSSYSA-N 0 0 301.209 3.086 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1ncsc1Br ZINC000344154805 433855259 /nfs/dbraw/zinc/85/52/59/433855259.db2.gz ZEKBDJFHNIGBOD-QMMMGPOBSA-N 0 0 301.209 3.086 10 30 DGEERN C=CCN(C(=O)Nc1cc(-c2ccccc2F)on1)C1CC1 ZINC000434060822 433856068 /nfs/dbraw/zinc/85/60/68/433856068.db2.gz CCRZRNNFHIBFRU-UHFFFAOYSA-N 0 0 301.321 3.663 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C#N)n1C)c1cc(F)ccc1F ZINC000449923573 433871526 /nfs/dbraw/zinc/87/15/26/433871526.db2.gz FSFNDNUXDJAPNX-AWEZNQCLSA-N 0 0 303.312 3.056 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@]12CCOC2)c1ccccc1 ZINC000422197070 433896946 /nfs/dbraw/zinc/89/69/46/433896946.db2.gz XXJCOCMCNBBKMO-FUHWJXTLSA-N 0 0 300.402 3.268 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000293860969 433899605 /nfs/dbraw/zinc/89/96/05/433899605.db2.gz VWDAEECYPSSEBW-CQSZACIVSA-N 0 0 300.324 3.361 10 30 DGEERN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000285164937 433918375 /nfs/dbraw/zinc/91/83/75/433918375.db2.gz PUSPWTHTLICPAV-IEBWSBKVSA-N 0 0 313.445 3.097 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)CC[C@H]1c1ccccc1 ZINC000449953766 433889773 /nfs/dbraw/zinc/88/97/73/433889773.db2.gz ZUJULSOMGCTTNZ-RHSMWYFYSA-N 0 0 307.397 3.163 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)CC[C@@H]1c1ccccc1 ZINC000449953765 433890865 /nfs/dbraw/zinc/89/08/65/433890865.db2.gz ZUJULSOMGCTTNZ-PBHICJAKSA-N 0 0 307.397 3.163 10 30 DGEERN CC(C)c1ccccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377679186 433954116 /nfs/dbraw/zinc/95/41/16/433954116.db2.gz UIXYJECYEULFJS-HNNXBMFYSA-N 0 0 312.417 3.014 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@@H](COC)CC2)cc1 ZINC000457049749 433955651 /nfs/dbraw/zinc/95/56/51/433955651.db2.gz VFJVXOHZFVGECW-OAHLLOKOSA-N 0 0 303.402 3.140 10 30 DGEERN N#Cc1cccc(C#N)c1NCC[C@H]1COc2ccccc2O1 ZINC000436400726 433958120 /nfs/dbraw/zinc/95/81/20/433958120.db2.gz LMTUHZWXIWFWME-HNNXBMFYSA-N 0 0 305.337 3.072 10 30 DGEERN N#Cc1cccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340235728 434002510 /nfs/dbraw/zinc/00/25/10/434002510.db2.gz JHGJJBOKKDBVQZ-YJBOKZPZSA-N 0 0 314.335 3.144 10 30 DGEERN CC[C@@H](C)n1ncc(NC(=O)c2ccc(C#N)n2C)c1C1CC1 ZINC000450301604 434094258 /nfs/dbraw/zinc/09/42/58/434094258.db2.gz UPYNCIUHSOZTHM-LLVKDONJSA-N 0 0 311.389 3.194 10 30 DGEERN C=CCC1(C(=O)N2CCN(CC(F)F)[C@H](CC)C2)CCCC1 ZINC000450320554 434102184 /nfs/dbraw/zinc/10/21/84/434102184.db2.gz ONZXHKHDKMEOFP-CQSZACIVSA-N 0 0 314.420 3.311 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1ccnc2c1ncn2C ZINC000357716132 434146534 /nfs/dbraw/zinc/14/65/34/434146534.db2.gz PDGNWYOCFRJSCW-UHFFFAOYSA-N 0 0 306.369 3.339 10 30 DGEERN C=CCC[C@H](CO)NC(=O)NCc1ccc(Cl)cc1Cl ZINC000457411347 434154065 /nfs/dbraw/zinc/15/40/65/434154065.db2.gz JDIGROUWHFHPHZ-GFCCVEGCSA-N 0 0 317.216 3.120 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@H](C)CC(F)(F)F)cc1 ZINC000457490298 434199572 /nfs/dbraw/zinc/19/95/72/434199572.db2.gz YSYMGZOKEZLGAO-SNVBAGLBSA-N 0 0 314.307 3.129 10 30 DGEERN CC#CCCCC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437405749 434258735 /nfs/dbraw/zinc/25/87/35/434258735.db2.gz MTDOVVSSNNDFKU-KGLIPLIRSA-N 0 0 307.340 3.454 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)CCC1 ZINC000364253372 434266689 /nfs/dbraw/zinc/26/66/89/434266689.db2.gz FMXLSWJCMWRFTQ-HNNXBMFYSA-N 0 0 301.434 3.184 10 30 DGEERN C=CCOc1ccc(CNc2nnc(CC3CCCC3)o2)cc1 ZINC000347891172 434280427 /nfs/dbraw/zinc/28/04/27/434280427.db2.gz YBZKGZLPTBAKLN-UHFFFAOYSA-N 0 0 313.401 3.979 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCC(F)(F)F ZINC000286723662 434289647 /nfs/dbraw/zinc/28/96/47/434289647.db2.gz PFDNDAPUKIOHIS-AWEZNQCLSA-N 0 0 312.335 3.263 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)CCC2 ZINC000328662116 434297377 /nfs/dbraw/zinc/29/73/77/434297377.db2.gz XDWINZIUPQZAOP-VNQPRFMTSA-N 0 0 318.465 3.493 10 30 DGEERN C=CCCCCCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000286967867 434298624 /nfs/dbraw/zinc/29/86/24/434298624.db2.gz IRKVWDDLOBBQSN-UHFFFAOYSA-N 0 0 315.460 3.018 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccoc1C ZINC000286985711 434301604 /nfs/dbraw/zinc/30/16/04/434301604.db2.gz JOPPHVNRKWEBSL-SFHVURJKSA-N 0 0 310.397 3.364 10 30 DGEERN Cc1nccn1C[C@H](C)CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328686995 434302111 /nfs/dbraw/zinc/30/21/11/434302111.db2.gz YSOSAJMGGSJWLJ-OCCSQVGLSA-N 0 0 306.410 3.073 10 30 DGEERN Cc1nnc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cn12 ZINC000328748505 434304126 /nfs/dbraw/zinc/30/41/26/434304126.db2.gz PQPCFTLFKWUCRU-UHFFFAOYSA-N 0 0 310.401 3.167 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000287086887 434304956 /nfs/dbraw/zinc/30/49/56/434304956.db2.gz COOQTKQLYUELDS-UHFFFAOYSA-N 0 0 320.270 3.448 10 30 DGEERN COc1cnc(NC(=O)N2CCC[C@H]2C2CCCCC2)nc1 ZINC000328801543 434314733 /nfs/dbraw/zinc/31/47/33/434314733.db2.gz AETIXJKUYFFRDF-AWEZNQCLSA-N 0 0 304.394 3.075 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457717541 434314978 /nfs/dbraw/zinc/31/49/78/434314978.db2.gz UYWAGJPXPMHWDW-GFCCVEGCSA-N 0 0 311.809 3.042 10 30 DGEERN C[C@H](NC(=O)N[C@@H]1CCO[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000328812163 434315311 /nfs/dbraw/zinc/31/53/11/434315311.db2.gz FMFPSYSBBOINQF-VQISRLSMSA-N 0 0 308.809 3.472 10 30 DGEERN Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000328824858 434318897 /nfs/dbraw/zinc/31/88/97/434318897.db2.gz HDBCNLBQVVOFSC-IAOVAPTHSA-N 0 0 302.418 3.436 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)NC2CCN(c3ccccn3)CC2)CCC1=O ZINC000328904190 434324099 /nfs/dbraw/zinc/32/40/99/434324099.db2.gz IYIJYTONWOPHCG-KGLIPLIRSA-N 0 0 315.417 3.012 10 30 DGEERN C=C(C)CN(C)C(=O)c1ccc(C)c(C(=O)N(C)CC(=C)C)c1 ZINC000450675415 434331266 /nfs/dbraw/zinc/33/12/66/434331266.db2.gz UVLXEKDDBYREMY-UHFFFAOYSA-N 0 0 314.429 3.291 10 30 DGEERN N#Cc1cc(Cl)cc(Br)c1N[C@H]1CCOC1 ZINC000390758742 434367488 /nfs/dbraw/zinc/36/74/88/434367488.db2.gz KKADAWAGPGAJIH-VIFPVBQESA-N 0 0 301.571 3.175 10 30 DGEERN C=CCOCC(=O)N1CCC(CC)(Cc2ccccc2)CC1 ZINC000358184519 434374222 /nfs/dbraw/zinc/37/42/22/434374222.db2.gz ONBCZBGQPSCWAB-UHFFFAOYSA-N 0 0 301.430 3.451 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1(C(F)(F)F)CCC1 ZINC000295383922 434335428 /nfs/dbraw/zinc/33/54/28/434335428.db2.gz QYXLOQLZPMHAGM-AWEZNQCLSA-N 0 0 309.331 3.470 10 30 DGEERN C[C@@H]1CCC[C@H](CC(=O)NCCC2CCS(=O)(=O)CC2)C1 ZINC000329039558 434350966 /nfs/dbraw/zinc/35/09/66/434350966.db2.gz ZXIJESDQLCVBMP-HIFRSBDPSA-N 0 0 315.479 3.374 10 30 DGEERN C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)c1cccs1 ZINC000366216434 434359740 /nfs/dbraw/zinc/35/97/40/434359740.db2.gz MGHWLBHOZFEGSF-QRTARXTBSA-N 0 0 318.442 3.305 10 30 DGEERN C=CCn1c(Nc2cccc(OC)c2)nnc1[C@H]1CCCO1 ZINC000295890228 434443103 /nfs/dbraw/zinc/44/31/03/434443103.db2.gz HSVQMWCEGWNOTE-CQSZACIVSA-N 0 0 300.362 3.068 10 30 DGEERN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(C#N)cc1F ZINC000358429651 434392183 /nfs/dbraw/zinc/39/21/83/434392183.db2.gz GDKQZOXHGXAGKS-NSHDSACASA-N 0 0 324.359 3.061 10 30 DGEERN C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585004 434397687 /nfs/dbraw/zinc/39/76/87/434397687.db2.gz IFOUXHFDAWSPQF-UGSOOPFHSA-N 0 0 323.371 3.153 10 30 DGEERN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585002 434399654 /nfs/dbraw/zinc/39/96/54/434399654.db2.gz IFOUXHFDAWSPQF-FZKQIMNGSA-N 0 0 323.371 3.153 10 30 DGEERN CO[C@H](CNC(=O)c1sccc1C#N)c1ccc(Cl)cc1 ZINC000358736548 434405035 /nfs/dbraw/zinc/40/50/35/434405035.db2.gz SJZQZDCOVRBANZ-CYBMUJFWSA-N 0 0 320.801 3.391 10 30 DGEERN N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000359473502 434418487 /nfs/dbraw/zinc/41/84/87/434418487.db2.gz MRONSEVPUNONTB-AWEZNQCLSA-N 0 0 316.744 3.098 10 30 DGEERN Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)nnn1C(C)C ZINC000329486329 434421615 /nfs/dbraw/zinc/42/16/15/434421615.db2.gz GHJATGZNMDNPMP-UHFFFAOYSA-N 0 0 302.422 3.297 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438144726 434422238 /nfs/dbraw/zinc/42/22/38/434422238.db2.gz MRWVGSIRBJORGK-VMUDFCTBSA-N 0 0 303.402 3.037 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000457976193 434423000 /nfs/dbraw/zinc/42/30/00/434423000.db2.gz VUUXROQAGMVLEL-SQNIBIBYSA-N 0 0 316.445 3.339 10 30 DGEERN CC(C)OCC(C)(C)Nc1ncc(Br)cc1C#N ZINC000396428024 434424332 /nfs/dbraw/zinc/42/43/32/434424332.db2.gz SVLAVJLVQMFVFC-UHFFFAOYSA-N 0 0 312.211 3.331 10 30 DGEERN CC(C)n1ncc2c1C[C@H](NC(=O)CCc1nccs1)CC2 ZINC000329541710 434428537 /nfs/dbraw/zinc/42/85/37/434428537.db2.gz XKURLBUBAKBKTB-CYBMUJFWSA-N 0 0 318.446 3.367 10 30 DGEERN Cc1ncsc1CNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329584893 434436097 /nfs/dbraw/zinc/43/60/97/434436097.db2.gz MAYSEDFFKBVWCL-AWEZNQCLSA-N 0 0 323.462 3.147 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000450848499 434439590 /nfs/dbraw/zinc/43/95/90/434439590.db2.gz UOPBILLOIOJQRJ-BZPMIXESSA-N 0 0 311.784 3.026 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000417610901 434460297 /nfs/dbraw/zinc/46/02/97/434460297.db2.gz OEKWDBFUYCIMCJ-SECBINFHSA-N 0 0 321.270 3.233 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000417608791 434462707 /nfs/dbraw/zinc/46/27/07/434462707.db2.gz JNZPFMMAQZNDRM-NSHDSACASA-N 0 0 320.389 3.458 10 30 DGEERN N#Cc1c(F)c(I)ccc1C(F)(F)F ZINC000145137162 294860013 /nfs/dbraw/zinc/86/00/13/294860013.db2.gz JUPLDFKAJVCDPF-UHFFFAOYSA-N 0 0 315.007 3.321 10 30 DGEERN O=C(NCc1noc2c1CCCC2)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329749834 434469679 /nfs/dbraw/zinc/46/96/79/434469679.db2.gz UNRGNRUMKMBDGV-MRXNPFEDSA-N 0 0 315.417 3.232 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(C)c(Br)c1 ZINC000417627949 434474900 /nfs/dbraw/zinc/47/49/00/434474900.db2.gz QAYLSBAGBDYNDI-GFCCVEGCSA-N 0 0 312.207 3.267 10 30 DGEERN CN(C(=O)NCCC1(O)CCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329813992 434483396 /nfs/dbraw/zinc/48/33/96/434483396.db2.gz NNESFBGECBEVQI-NEPJUHHUSA-N 0 0 322.371 3.258 10 30 DGEERN C=CCC1(CNC(=O)NCc2ccc(CO)c(F)c2)CCCC1 ZINC000458140647 434499066 /nfs/dbraw/zinc/49/90/66/434499066.db2.gz YZLLRVGXKOAAAA-UHFFFAOYSA-N 0 0 320.408 3.254 10 30 DGEERN C=C(Br)CN1CCc2ccc(C(C)=O)cc2CC1 ZINC000366739937 434499646 /nfs/dbraw/zinc/49/96/46/434499646.db2.gz NJPYNNVRUPVEAE-UHFFFAOYSA-N 0 0 308.219 3.198 10 30 DGEERN CC1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329652505 434453377 /nfs/dbraw/zinc/45/33/77/434453377.db2.gz KXJKRZGKZRFQRS-WZCNAGQFSA-N 0 0 314.433 3.369 10 30 DGEERN CC(=O)c1ccccc1OCCN1Cc2cccc(C#N)c2C1 ZINC000405059521 434526483 /nfs/dbraw/zinc/52/64/83/434526483.db2.gz BLGKJMORPPERLD-UHFFFAOYSA-N 0 0 306.365 3.155 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367939763 434560511 /nfs/dbraw/zinc/56/05/11/434560511.db2.gz AZZJMFJSOSJQST-ZJPYXAASSA-N 0 0 315.413 3.004 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](C)[C@@H](O)C3)c2c1 ZINC000407983124 434534614 /nfs/dbraw/zinc/53/46/14/434534614.db2.gz BJSBKBJSUILTOH-NHYWBVRUSA-N 0 0 315.804 3.275 10 30 DGEERN C=CC(C)(C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000451030042 434540906 /nfs/dbraw/zinc/54/09/06/434540906.db2.gz WQCWJTYTRUOBGC-UHFFFAOYSA-N 0 0 306.837 3.027 10 30 DGEERN CC1(C#N)CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000367904763 434561379 /nfs/dbraw/zinc/56/13/79/434561379.db2.gz XLDZCZJDDPHHIR-HNNXBMFYSA-N 0 0 317.820 3.071 10 30 DGEERN C=CCCCCCCNC(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000367893956 434561503 /nfs/dbraw/zinc/56/15/03/434561503.db2.gz ALGMOMJXTWQHRX-SJLPKXTDSA-N 0 0 324.465 3.102 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000368072042 434565322 /nfs/dbraw/zinc/56/53/22/434565322.db2.gz OAHYWLLAXLNZHI-UHFFFAOYSA-N 0 0 314.388 3.277 10 30 DGEERN CC#CCSCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000368384355 434572053 /nfs/dbraw/zinc/57/20/53/434572053.db2.gz VFXJXEFNAUSNCF-UHFFFAOYSA-N 0 0 321.423 3.002 10 30 DGEERN Cc1[nH]c2c(cc(C)cc2CNc2nc(C)cc(C#N)n2)c1C ZINC000439168056 434572476 /nfs/dbraw/zinc/57/24/76/434572476.db2.gz ZFALGOMLEJOIKE-UHFFFAOYSA-N 0 0 305.385 3.675 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](C)[C@@H](O)C3)c2c1 ZINC000408453439 434578867 /nfs/dbraw/zinc/57/88/67/434578867.db2.gz RSCSZFVDNDZJBE-ACJLOTCBSA-N 0 0 309.413 3.437 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](O)[C@@H](C)C3)c2c1 ZINC000408456106 434579568 /nfs/dbraw/zinc/57/95/68/434579568.db2.gz ZTIKTIBKLZDLOK-UGSOOPFHSA-N 0 0 309.413 3.437 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330137484 295383232 /nfs/dbraw/zinc/38/32/32/295383232.db2.gz NWDQXAPPBWGTQC-SEFVSHJNSA-N 0 0 320.477 3.496 10 30 DGEERN C=CCn1c(SC[C@@H](OC)C2CC2)nc2ccccc2c1=O ZINC000424103388 434621994 /nfs/dbraw/zinc/62/19/94/434621994.db2.gz SLCWGWFQIJSBDJ-OAHLLOKOSA-N 0 0 316.426 3.100 10 30 DGEERN C=CCCc1ccccc1N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000409859318 434623390 /nfs/dbraw/zinc/62/33/90/434623390.db2.gz CSOMRTMSSDNRIX-KRWDZBQOSA-N 0 0 324.428 3.065 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000370005693 434606275 /nfs/dbraw/zinc/60/62/75/434606275.db2.gz ILQUWKFIHDQESB-GOSISDBHSA-N 0 0 314.429 3.354 10 30 DGEERN C#CCCCCN1C(=O)[C@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000370264428 434608938 /nfs/dbraw/zinc/60/89/38/434608938.db2.gz ATNIBBVVENGVGT-HZPDHXFCSA-N 0 0 302.418 3.023 10 30 DGEERN C=CCC1(C(=O)N(C)c2ncc(C(=O)OC)s2)CCCC1 ZINC000410576698 434656311 /nfs/dbraw/zinc/65/63/11/434656311.db2.gz YGPWPOFTKCTUTJ-UHFFFAOYSA-N 0 0 308.403 3.029 10 30 DGEERN C=CCC1(c2nc(-c3ccc(OC)cc3)no2)CCOCC1 ZINC000424223061 434661431 /nfs/dbraw/zinc/66/14/31/434661431.db2.gz ODAQEJRMXOTZFK-UHFFFAOYSA-N 0 0 300.358 3.370 10 30 DGEERN C=CCCn1cc(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)nn1 ZINC000424573904 434746010 /nfs/dbraw/zinc/74/60/10/434746010.db2.gz TZMGDQIVFPAQDP-HNNXBMFYSA-N 0 0 312.417 3.304 10 30 DGEERN CCn1c(-c2cccc(C#N)c2)nnc1N(CC1CC1)CC1CC1 ZINC000460291511 434752597 /nfs/dbraw/zinc/75/25/97/434752597.db2.gz UUOIMRPPEUIGKS-UHFFFAOYSA-N 0 0 321.428 3.463 10 30 DGEERN C=CCCn1cc(-c2nc(C[C@@H](C)c3ccccc3)no2)nn1 ZINC000424348529 434708250 /nfs/dbraw/zinc/70/82/50/434708250.db2.gz OVWRTQFCZVERME-CYBMUJFWSA-N 0 0 309.373 3.250 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1 ZINC000452776617 434711317 /nfs/dbraw/zinc/71/13/17/434711317.db2.gz RPARPBNQXYBTHX-ZDUSSCGKSA-N 0 0 303.402 3.233 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000452778916 434712514 /nfs/dbraw/zinc/71/25/14/434712514.db2.gz RMVUYEGGKZLMFE-DOMZBBRYSA-N 0 0 300.402 3.223 10 30 DGEERN C#CCCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000371697193 434735158 /nfs/dbraw/zinc/73/51/58/434735158.db2.gz TZCDLQZADGFQIU-ZDUSSCGKSA-N 0 0 310.319 3.228 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000452911290 434756230 /nfs/dbraw/zinc/75/62/30/434756230.db2.gz APSKGRQNMPREMN-JMGFVUJMSA-N 0 0 323.795 3.432 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc3ccccc3n2)CCOCC1 ZINC000424613998 434758481 /nfs/dbraw/zinc/75/84/81/434758481.db2.gz HTUIUZISWVPRER-UHFFFAOYSA-N 0 0 324.424 3.266 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3cnn(CC)c3c2)CCOCC1 ZINC000424619029 434760508 /nfs/dbraw/zinc/76/05/08/434760508.db2.gz AYQLWNKBFUPQDV-UHFFFAOYSA-N 0 0 313.401 3.368 10 30 DGEERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000440997630 434761027 /nfs/dbraw/zinc/76/10/27/434761027.db2.gz 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435089661 /nfs/dbraw/zinc/08/96/61/435089661.db2.gz YUMQVZQRLGUMKO-QGZVFWFLSA-N 0 0 313.426 3.307 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)cc(C#N)c1C(F)F ZINC000575385485 435034693 /nfs/dbraw/zinc/03/46/93/435034693.db2.gz UQOLZEGKVDRJQF-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)c1c(Br)c(C#N)ccc1C(F)(F)F ZINC000575383985 435034788 /nfs/dbraw/zinc/03/47/88/435034788.db2.gz YDYSQICWSCZBIR-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN COC(=O)c1ccc(C#N)c(C(F)(F)F)c1Br ZINC000575383931 435034799 /nfs/dbraw/zinc/03/47/99/435034799.db2.gz SYPCRQHBFZZDPQ-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)c1c(C=O)cc(C#N)cc1SC(F)(F)F ZINC000575391324 435035066 /nfs/dbraw/zinc/03/50/66/435035066.db2.gz JWAOQFPXNMPRON-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)c1cc(C#N)cc(SC(F)(F)F)c1OC ZINC000575394590 435035072 /nfs/dbraw/zinc/03/50/72/435035072.db2.gz LXXUSYXOQAHSAD-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(SC(F)(F)F)c(OC)c1 ZINC000575394616 435035094 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321.943 3.234 10 30 DGEERN COc1c(Br)ccc(Br)c1CC#N ZINC000575694122 435045867 /nfs/dbraw/zinc/04/58/67/435045867.db2.gz IRXDTHHXUBKLCG-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccccc2OC(F)F)c1 ZINC000530671752 435046491 /nfs/dbraw/zinc/04/64/91/435046491.db2.gz ZUIWLHDIBDCQRS-UHFFFAOYSA-N 0 0 316.307 3.019 10 30 DGEERN N#CCc1cc(Br)c(Br)cc1[N+](=O)[O-] ZINC000575695832 435046715 /nfs/dbraw/zinc/04/67/15/435046715.db2.gz YTFMFVRQWIBBLW-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN CCOc1cc(C)cc(I)c1CC#N ZINC000575697888 435047173 /nfs/dbraw/zinc/04/71/73/435047173.db2.gz QVODFHXUDLYNES-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CSc1cc(C)cc(I)c1CC#N ZINC000575710170 435049045 /nfs/dbraw/zinc/04/90/45/435049045.db2.gz VHCBTCYKTJXMPB-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000575784824 435051582 /nfs/dbraw/zinc/05/15/82/435051582.db2.gz ULJQCFDMNUKETB-CYBMUJFWSA-N 0 0 314.389 3.038 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c(SC)c1 ZINC000575743666 435051827 /nfs/dbraw/zinc/05/18/27/435051827.db2.gz OPNNKLSCWYCCOQ-AAEUAGOBSA-N 0 0 322.430 3.130 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000576001039 435053317 /nfs/dbraw/zinc/05/33/17/435053317.db2.gz SMRJVNPHNIJCSL-BQFCYCMXSA-N 0 0 324.465 3.101 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000576101359 435053848 /nfs/dbraw/zinc/05/38/48/435053848.db2.gz QREFSZGONHNWCR-YJBOKZPZSA-N 0 0 324.380 3.195 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000576697249 435057663 /nfs/dbraw/zinc/05/76/63/435057663.db2.gz AKWANYQNTKYIRS-MRXNPFEDSA-N 0 0 302.418 3.378 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN(CC)c1ccccc1 ZINC000493080213 435104412 /nfs/dbraw/zinc/10/44/12/435104412.db2.gz OVNRKINTCSHCJM-QZTJIDSGSA-N 0 0 316.445 3.000 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)C)n1C[C@@H]1CCCCO1 ZINC000559202478 435123926 /nfs/dbraw/zinc/12/39/26/435123926.db2.gz AHBPKYOXRNWOAW-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC(CC(F)(F)F)CC2)c1 ZINC000560158727 435151082 /nfs/dbraw/zinc/15/10/82/435151082.db2.gz AOHKBFGFFARQPT-UHFFFAOYSA-N 0 0 310.319 3.292 10 30 DGEERN C[C@@H](CCOCc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000561721951 435232003 /nfs/dbraw/zinc/23/20/03/435232003.db2.gz FRIMQZWLBOEHTO-INIZCTEOSA-N 0 0 322.408 3.212 10 30 DGEERN CC#CCCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000476607037 435242070 /nfs/dbraw/zinc/24/20/70/435242070.db2.gz QHNAFTUWEQIOBU-UHFFFAOYSA-N 0 0 318.573 3.385 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](C)CCc2ccc(OC(C)C)cc2)n1 ZINC000583386540 435242478 /nfs/dbraw/zinc/24/24/78/435242478.db2.gz AYFGEGZESHFXSJ-AWEZNQCLSA-N 0 0 324.428 3.877 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000583513153 435242880 /nfs/dbraw/zinc/24/28/80/435242880.db2.gz QSZILDBEYOHFAD-ROUUACIJSA-N 0 0 317.429 3.415 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000563375833 435265340 /nfs/dbraw/zinc/26/53/40/435265340.db2.gz YABSDHWUUZODBF-IAGOWNOFSA-N 0 0 317.433 3.347 10 30 DGEERN C=CCC1(NC(=O)c2cnn3c2C[C@@H](C)CC3)CCCCC1 ZINC000564657493 435272306 /nfs/dbraw/zinc/27/23/06/435272306.db2.gz HEKGFOMRSPMWSO-AWEZNQCLSA-N 0 0 301.434 3.474 10 30 DGEERN C=CCC1(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CCOCC1 ZINC000565770269 435281576 /nfs/dbraw/zinc/28/15/76/435281576.db2.gz MOEZEXACXQKZNM-UKRRQHHQSA-N 0 0 303.402 3.392 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnccc1Oc1ccccc1 ZINC000566119720 435285220 /nfs/dbraw/zinc/28/52/20/435285220.db2.gz ZDTMUOPLRNGZJU-YOEHRIQHSA-N 0 0 324.380 3.195 10 30 DGEERN C=C(C)[C@H](NC(=O)CN1CC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000566451959 435286569 /nfs/dbraw/zinc/28/65/69/435286569.db2.gz UYFODSBLGXCQSU-INIZCTEOSA-N 0 0 308.372 3.040 10 30 DGEERN C=CCCCCCNC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000566429340 435286607 /nfs/dbraw/zinc/28/66/07/435286607.db2.gz SYQBWMQYVAXSIH-UHFFFAOYSA-N 0 0 313.405 3.194 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(C)C)cc1 ZINC000566969415 435289378 /nfs/dbraw/zinc/28/93/78/435289378.db2.gz RGBSHRFUNAZCFS-BBRMVZONSA-N 0 0 304.390 3.186 10 30 DGEERN C=CCCCCCNC(=O)c1cn(CC(F)(F)F)nc1C ZINC000566805629 435290456 /nfs/dbraw/zinc/29/04/56/435290456.db2.gz JLCODSDGDSUMHN-UHFFFAOYSA-N 0 0 303.328 3.230 10 30 DGEERN N#Cc1cccnc1-n1cc(NC/C=C\c2ccccc2)cn1 ZINC000588461527 435295118 /nfs/dbraw/zinc/29/51/18/435295118.db2.gz HOUCFHOVJUSYIF-YWEYNIOJSA-N 0 0 301.353 3.264 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@](C)(CC)CO ZINC000567516707 435323417 /nfs/dbraw/zinc/32/34/17/435323417.db2.gz GOARMAVRWUSQQH-CQSZACIVSA-N 0 0 301.839 3.325 10 30 DGEERN C=CCC(C)(C)CNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000567500500 435324227 /nfs/dbraw/zinc/32/42/27/435324227.db2.gz MYDQMBFJBZEJBZ-UHFFFAOYSA-N 0 0 318.392 3.263 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000567723475 435346209 /nfs/dbraw/zinc/34/62/09/435346209.db2.gz VKXXMRRPACIBHI-INWMFGNUSA-N 0 0 320.458 3.360 10 30 DGEERN C=CCC(CC=C)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000628325674 435397236 /nfs/dbraw/zinc/39/72/36/435397236.db2.gz YJVHFAGMXCBQTP-GOSISDBHSA-N 0 0 301.386 3.101 10 30 DGEERN C=C(CC)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000537993762 435478678 /nfs/dbraw/zinc/47/86/78/435478678.db2.gz VADBIGBSSHOZGV-UHFFFAOYSA-N 0 0 318.236 3.181 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC000568487546 435440587 /nfs/dbraw/zinc/44/05/87/435440587.db2.gz PLMZUEICJUOCBF-HNNXBMFYSA-N 0 0 320.481 3.447 10 30 DGEERN C=CCCCNC(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000569306063 435521638 /nfs/dbraw/zinc/52/16/38/435521638.db2.gz AGIMGOXQHAXMIS-UHFFFAOYSA-N 0 0 301.434 3.101 10 30 DGEERN CCn1c2ccc(C)cc2nc1NC(=O)Cc1cccc(C#N)c1 ZINC000538360353 435494279 /nfs/dbraw/zinc/49/42/79/435494279.db2.gz ISTBUDPDPIJOGR-UHFFFAOYSA-N 0 0 318.380 3.418 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cncc(Cl)c2Cl)c1 ZINC000539791457 435568606 /nfs/dbraw/zinc/56/86/06/435568606.db2.gz FGABLVPMAWVXQN-UHFFFAOYSA-N 0 0 306.152 3.441 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000485515046 435569409 /nfs/dbraw/zinc/56/94/09/435569409.db2.gz DGLQJEYDFRDQJJ-PSHZPRKYSA-N 0 0 323.795 3.432 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccccc1C(C)C ZINC000485945983 435583129 /nfs/dbraw/zinc/58/31/29/435583129.db2.gz HUBGDHBBMDMUDF-SJLPKXTDSA-N 0 0 317.429 3.286 10 30 DGEERN C=C[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000487364994 435625658 /nfs/dbraw/zinc/62/56/58/435625658.db2.gz KVCZZRMCSSNTDK-JTQLQIEISA-N 0 0 303.786 3.208 10 30 DGEERN C=CCCCCCNC(=O)CSc1ccc2c(c1)OCCO2 ZINC000570174123 435596305 /nfs/dbraw/zinc/59/63/05/435596305.db2.gz YKTDBFCKZNSIAA-UHFFFAOYSA-N 0 0 321.442 3.413 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2ccccc2)nc1C ZINC000517556305 435599635 /nfs/dbraw/zinc/59/96/35/435599635.db2.gz JBGPAPMQPZGQOK-LPHOPBHVSA-N 0 0 322.408 3.378 10 30 DGEERN C=CCCOCCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541778602 435645533 /nfs/dbraw/zinc/64/55/33/435645533.db2.gz SJUIUHDYUBXHGD-KRWDZBQOSA-N 0 0 319.836 3.345 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000570824560 435653578 /nfs/dbraw/zinc/65/35/78/435653578.db2.gz OTCZUFQJAGCWQY-INIZCTEOSA-N 0 0 324.465 3.496 10 30 DGEERN C=C(C)CNC(=O)Nc1cc(F)cc(Br)c1F ZINC000490492410 435659533 /nfs/dbraw/zinc/65/95/33/435659533.db2.gz PRPDJYCDVVFUHA-UHFFFAOYSA-N 0 0 305.122 3.425 10 30 DGEERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180059517 300060385 /nfs/dbraw/zinc/06/03/85/300060385.db2.gz AQAZIIPBEYWRMM-QWRGUYRKSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCCCCCNC(=O)c1[nH]nc(CC)c1Br ZINC000571224990 435687827 /nfs/dbraw/zinc/68/78/27/435687827.db2.gz POOGWRZFVLPHKD-UHFFFAOYSA-N 0 0 314.227 3.211 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 ZINC000110315070 300368447 /nfs/dbraw/zinc/36/84/47/300368447.db2.gz BQYDVWCUFJTXLU-RDJZCZTQSA-N 0 0 312.413 3.449 10 30 DGEERN C=CCN(C)C(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000491031495 435698092 /nfs/dbraw/zinc/69/80/92/435698092.db2.gz CXSFYYOHVYQKIU-IBGZPJMESA-N 0 0 306.409 3.435 10 30 DGEERN C=CCCCCC[NH+]1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000571571471 435719301 /nfs/dbraw/zinc/71/93/01/435719301.db2.gz TXIJDIJTFSQQLO-UHFFFAOYSA-N 0 0 305.422 3.273 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000572129133 435784629 /nfs/dbraw/zinc/78/46/29/435784629.db2.gz ZOYLDGLQCYKTGR-DOTOQJQBSA-N 0 0 324.428 3.074 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000572662242 435852744 /nfs/dbraw/zinc/85/27/44/435852744.db2.gz DXMOAQSHMNGPGS-AWEZNQCLSA-N 0 0 319.453 3.111 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330137483 303512414 /nfs/dbraw/zinc/51/24/14/303512414.db2.gz NWDQXAPPBWGTQC-HTBDUDNFSA-N 0 0 320.477 3.496 10 30 DGEERN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C)nc1C ZINC000132090366 312634260 /nfs/dbraw/zinc/63/42/60/312634260.db2.gz SMYHFOZWNZHMCH-UHFFFAOYSA-N 0 0 319.368 3.192 10 30 DGEERN CC1(C)CN(C(=O)Cc2cccc(C#N)c2)Cc2ccccc21 ZINC000536281630 313755395 /nfs/dbraw/zinc/75/53/95/313755395.db2.gz PZFPCNBMKBICQO-UHFFFAOYSA-N 0 0 304.393 3.421 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N(C)Cc1ccc2c(c1)OCCO2 ZINC000542507624 314080630 /nfs/dbraw/zinc/08/06/30/314080630.db2.gz RYQXIUAAYMWJOA-UHFFFAOYSA-N 0 0 322.364 3.168 10 30 DGEERN CC(C)Oc1cc(-c2noc(Cc3cccc(C#N)c3)n2)ccn1 ZINC000544676142 314205230 /nfs/dbraw/zinc/20/52/30/314205230.db2.gz NCYWTOCNAYLWCA-UHFFFAOYSA-N 0 0 320.352 3.381 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000545202952 314232846 /nfs/dbraw/zinc/23/28/46/314232846.db2.gz WEPVIEYVIWRHNL-RTBURBONSA-N 0 0 320.392 3.137 10 30 DGEERN CN(Cc1ccccc1OC(F)(F)F)c1ccncc1C#N ZINC000546654053 314318707 /nfs/dbraw/zinc/31/87/07/314318707.db2.gz NFZOXBPOOKNKHY-UHFFFAOYSA-N 0 0 307.275 3.488 10 30 DGEERN N#Cc1cnccc1NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000546654337 314318969 /nfs/dbraw/zinc/31/89/69/314318969.db2.gz KKVDREGWXLQCHQ-UHFFFAOYSA-N 0 0 320.327 3.314 10 30 DGEERN N#Cc1cccc(Cc2nc([C@@H]3COc4ccccc4O3)no2)c1 ZINC000556002277 314740876 /nfs/dbraw/zinc/74/08/76/314740876.db2.gz XGMZHXXPEIAAFE-INIZCTEOSA-N 0 0 319.320 3.045 10 30 DGEERN CCCc1nc(C(=O)Nc2nc3c(cc2C#N)CCCC3)co1 ZINC000558684713 314858266 /nfs/dbraw/zinc/85/82/66/314858266.db2.gz SBSBRTYJJKVUJG-UHFFFAOYSA-N 0 0 310.357 3.025 10 30 DGEERN CN(Cc1ccc(F)cc1Br)c1ccncc1C#N ZINC000561340386 314965048 /nfs/dbraw/zinc/96/50/48/314965048.db2.gz PEQITHKRFHGTIF-UHFFFAOYSA-N 0 0 320.165 3.491 10 30 DGEERN C[C@H](CO)CSc1cc(Br)c(C#N)cc1F ZINC000380469395 323612123 /nfs/dbraw/zinc/61/21/23/323612123.db2.gz FIYYRLPNZHUABH-SSDOTTSWSA-N 0 0 304.184 3.180 10 30 DGEERN COc1ccccc1/C=N/OCc1cc(C(C)=O)ccc1OC ZINC000003320820 331479543 /nfs/dbraw/zinc/47/95/43/331479543.db2.gz XJMOKICBLLVJGS-YBFXNURJSA-N 0 0 313.353 3.457 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)C)n1C[C@H]1CCCCO1 ZINC000559202482 331988997 /nfs/dbraw/zinc/98/89/97/331988997.db2.gz AHBPKYOXRNWOAW-MRXNPFEDSA-N 0 0 320.481 3.448 10 30 DGEERN N#CCCN(CC1CC1)S(=O)(=O)c1cccc2ccccc21 ZINC000083990752 331998794 /nfs/dbraw/zinc/99/87/94/331998794.db2.gz JEVWDLOZYVRRNY-UHFFFAOYSA-N 0 0 314.410 3.154 10 30 DGEERN CC#CCNC(=O)c1cc(Br)cc2ccccc21 ZINC000536524910 332279445 /nfs/dbraw/zinc/27/94/45/332279445.db2.gz KEBCQEVQLSBMLX-UHFFFAOYSA-N 0 0 302.171 3.355 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000184995556 335104678 /nfs/dbraw/zinc/10/46/78/335104678.db2.gz QHIRWIWQJKMWAV-LLVKDONJSA-N 0 0 304.781 3.462 10 30 DGEERN C#CCCCCNC(=O)COc1ccc(/C=C/C)cc1OC ZINC000155819324 332455028 /nfs/dbraw/zinc/45/50/28/332455028.db2.gz DEFGIJALPDXJBI-WEVVVXLNSA-N 0 0 301.386 3.027 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1oc(CCC)nc1C ZINC000293613853 335110090 /nfs/dbraw/zinc/11/00/90/335110090.db2.gz KDIUQDCMTASNPM-INIZCTEOSA-N 0 0 310.397 3.300 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000564736974 332568507 /nfs/dbraw/zinc/56/85/07/332568507.db2.gz QWLWNWRLDKNGQW-JOCHJYFZSA-N 0 0 322.474 3.111 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@]3(CCSC3)C2)CCCCC1 ZINC000570095850 332711614 /nfs/dbraw/zinc/71/16/14/332711614.db2.gz FVNCEVZRLNQPON-KRWDZBQOSA-N 0 0 309.475 3.248 10 30 DGEERN C=C(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209560 333009735 /nfs/dbraw/zinc/00/97/35/333009735.db2.gz BFBLFURFSAFLHF-SJKOYZFVSA-N 0 0 308.372 3.040 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000185192255 335118112 /nfs/dbraw/zinc/11/81/12/335118112.db2.gz KDAYGLAHXPQWEI-HNNXBMFYSA-N 0 0 301.434 3.290 10 30 DGEERN CSCC[C@H](C)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180930852 333166100 /nfs/dbraw/zinc/16/61/00/333166100.db2.gz CMZQTDXLEUMZQG-ZDUSSCGKSA-N 0 0 302.443 3.455 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000296459244 335142325 /nfs/dbraw/zinc/14/23/25/335142325.db2.gz KYGXESGUMQCOAC-DLBZAZTESA-N 0 0 314.429 3.061 10 30 DGEERN C=CCCS(=O)(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000531684478 333540821 /nfs/dbraw/zinc/54/08/21/333540821.db2.gz YNYHKKZQQIYKCN-UHFFFAOYSA-N 0 0 322.455 3.114 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000185731646 335147340 /nfs/dbraw/zinc/14/73/40/335147340.db2.gz JRHKNBNVAVYFSO-LBPRGKRZSA-N 0 0 311.389 3.081 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 ZINC000160821472 333667764 /nfs/dbraw/zinc/66/77/64/333667764.db2.gz ABIBLPRYAIDYDA-INIZCTEOSA-N 0 0 312.413 3.485 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000571218032 333683135 /nfs/dbraw/zinc/68/31/35/333683135.db2.gz VYCUARVELQFMSY-QGZVFWFLSA-N 0 0 320.408 3.098 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC=C(C)CC1 ZINC000571282979 333696570 /nfs/dbraw/zinc/69/65/70/333696570.db2.gz CHBCRTZWBKPUJU-UHFFFAOYSA-N 0 0 301.419 3.052 10 30 DGEERN Cc1c(Cl)cccc1OCC(=O)N[C@](C)(C#N)CC(C)C ZINC000534597763 334290637 /nfs/dbraw/zinc/29/06/37/334290637.db2.gz QFMVMPJWJVFGGH-INIZCTEOSA-N 0 0 308.809 3.472 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC[C@H]1C(=O)OC(C)C)c1ccccc1 ZINC000536208837 335830398 /nfs/dbraw/zinc/83/03/98/335830398.db2.gz KQTZLQNVXSSBAE-RDJZCZTQSA-N 0 0 315.413 3.289 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCCOC(C)(C)C ZINC000519916049 335911905 /nfs/dbraw/zinc/91/19/05/335911905.db2.gz NADIXSFYLKFQPI-UHFFFAOYSA-N 0 0 304.434 3.242 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000583627264 336000132 /nfs/dbraw/zinc/00/01/32/336000132.db2.gz GTAUXORJLXAFOI-ULQDDVLXSA-N 0 0 302.418 3.336 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000583627263 336000212 /nfs/dbraw/zinc/00/02/12/336000212.db2.gz GTAUXORJLXAFOI-BBWFWOEESA-N 0 0 302.418 3.336 10 30 DGEERN N#CCc1ccnc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000532434701 336247131 /nfs/dbraw/zinc/24/71/31/336247131.db2.gz UBYDUFGCNUVBOE-GXTWGEPZSA-N 0 0 313.307 3.168 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000182581218 336272889 /nfs/dbraw/zinc/27/28/89/336272889.db2.gz DNAUUURXCCQDSK-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN Cc1c(C(=O)N2CCC(C)(C#N)CC2)cnn1CCC(C)C ZINC000356970496 336567858 /nfs/dbraw/zinc/56/78/58/336567858.db2.gz IVHJLENDKWWURY-UHFFFAOYSA-N 0 0 302.422 3.004 10 30 DGEERN C=CCn1c(C)nnc1SCc1cncc(C(F)(F)F)c1 ZINC000359153296 336660413 /nfs/dbraw/zinc/66/04/13/336660413.db2.gz FJCDJOUTSUBTJH-UHFFFAOYSA-N 0 0 314.336 3.479 10 30 DGEERN C=CCC(C)(C)CNc1ncc(I)cn1 ZINC000389979242 336930628 /nfs/dbraw/zinc/93/06/28/336930628.db2.gz HMBYQZISATZYFB-UHFFFAOYSA-N 0 0 317.174 3.095 10 30 DGEERN C=CCN(CC=C)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000184801039 337200076 /nfs/dbraw/zinc/20/00/76/337200076.db2.gz MYHLOSGOCZPYPT-UHFFFAOYSA-N 0 0 310.401 3.255 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000185024972 337201352 /nfs/dbraw/zinc/20/13/52/337201352.db2.gz UIRBPKVGGUKBBT-HNNXBMFYSA-N 0 0 302.418 3.362 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000583259332 337292433 /nfs/dbraw/zinc/29/24/33/337292433.db2.gz LWSKQSGCATYSQN-YOEHRIQHSA-N 0 0 307.397 3.148 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC[C@H](c2cc(C)ccn2)C1)OCC ZINC000583273553 337299591 /nfs/dbraw/zinc/29/95/91/337299591.db2.gz UVDZSMLOIRKGAR-DOTOQJQBSA-N 0 0 302.418 3.077 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1cccc(C)c1 ZINC000584466100 337346974 /nfs/dbraw/zinc/34/69/74/337346974.db2.gz QHRWHQZRMMZBRW-RDJZCZTQSA-N 0 0 316.445 3.163 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000583874319 337366513 /nfs/dbraw/zinc/36/65/13/337366513.db2.gz PPFYIZJQORBTAZ-KBPBESRZSA-N 0 0 309.450 3.415 10 30 DGEERN C=C(C)c1c[nH]cc2c(S(=O)(=O)c3ccccc3)c(N)nc1-2 ZINC000584619778 337371081 /nfs/dbraw/zinc/37/10/81/337371081.db2.gz DBYZPAMORUQXCU-UHFFFAOYSA-N 0 0 313.382 3.011 10 30 DGEERN CCc1cnc2c(CCC(F)(F)C(F)(F)F)nc(C#N)cn12 ZINC000584605237 337371456 /nfs/dbraw/zinc/37/14/56/337371456.db2.gz JCJNDFVLGVRLGU-UHFFFAOYSA-N 0 0 318.249 3.294 10 30 DGEERN Ic1ccc(C#Cc2cccnc2)cc1 ZINC000584629959 337376597 /nfs/dbraw/zinc/37/65/97/337376597.db2.gz DREJWSCYBLMTFU-UHFFFAOYSA-N 0 0 305.118 3.086 10 30 DGEERN CC(C)Oc1cc2c(cc1C#N)c(Br)c[nH]c2=O ZINC000584639736 337379770 /nfs/dbraw/zinc/37/97/70/337379770.db2.gz GATFWZXYLFQWIA-UHFFFAOYSA-N 0 0 307.147 3.362 10 30 DGEERN C=CCCCCNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000275641260 337662694 /nfs/dbraw/zinc/66/26/94/337662694.db2.gz LTALHVORDRIDGJ-UHFFFAOYSA-N 0 0 310.344 3.209 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000527596416 337751969 /nfs/dbraw/zinc/75/19/69/337751969.db2.gz BNHKDFHKYOPSLH-AWEZNQCLSA-N 0 0 302.422 3.022 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)Cn1ccc(C(F)F)n1 ZINC000527906017 337770244 /nfs/dbraw/zinc/77/02/44/337770244.db2.gz YSONHDMINSGNLM-UHFFFAOYSA-N 0 0 305.328 3.036 10 30 DGEERN C=CCCc1noc([C@H]2CCCn3cc(C(F)(F)F)nc32)n1 ZINC000528209192 337793943 /nfs/dbraw/zinc/79/39/43/337793943.db2.gz VOMPRROUCXTPOB-VIFPVBQESA-N 0 0 312.295 3.329 10 30 DGEERN C=CCn1c(C)nnc1N1CCc2c(cccc2C(F)(F)F)C1 ZINC000528295534 337798124 /nfs/dbraw/zinc/79/81/24/337798124.db2.gz NCNHMHUXFKQFOD-UHFFFAOYSA-N 0 0 322.334 3.354 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCC1CCCC1 ZINC000044711626 337812057 /nfs/dbraw/zinc/81/20/57/337812057.db2.gz LCHDIAJBQQLKRK-UHFFFAOYSA-N 0 0 316.449 3.043 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000515064598 337978022 /nfs/dbraw/zinc/97/80/22/337978022.db2.gz VFWOMJAIABMYCG-ZENOOKHLSA-N 0 0 308.397 3.292 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc2nccc(C)c2c1C ZINC000572476288 338118755 /nfs/dbraw/zinc/11/87/55/338118755.db2.gz OUMLAKNZVHKLSI-STQMWFEESA-N 0 0 316.426 3.234 10 30 DGEERN C=CCCCCCNC(=O)NCc1cccc(C(=O)OC)c1 ZINC000516581588 340075798 /nfs/dbraw/zinc/07/57/98/340075798.db2.gz HVLHTWXSXANFDG-UHFFFAOYSA-N 0 0 304.390 3.019 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000504058461 340140221 /nfs/dbraw/zinc/14/02/21/340140221.db2.gz BOFPMOJPKWQQGE-GFCCVEGCSA-N 0 0 320.399 3.368 10 30 DGEERN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000504389696 340146764 /nfs/dbraw/zinc/14/67/64/340146764.db2.gz UZMBJGZBBPQTGT-ZIAGYGMSSA-N 0 0 309.479 3.386 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000505647066 340174204 /nfs/dbraw/zinc/17/42/04/340174204.db2.gz KHTSGHYPZWGHOZ-UONOGXRCSA-N 0 0 300.402 3.001 10 30 DGEERN C=C(C)CCN(c1cccc(Br)c1)S(C)(=O)=O ZINC000505654934 340174219 /nfs/dbraw/zinc/17/42/19/340174219.db2.gz BNLGTIQTUWSKEO-UHFFFAOYSA-N 0 0 318.236 3.181 10 30 DGEERN CC[C@@H]1CCCC[C@H]1OCC(=O)NCC1CCC(C#N)CC1 ZINC000508352804 340242702 /nfs/dbraw/zinc/24/27/02/340242702.db2.gz PRTZELKKCWJLEG-BHUNQDJPSA-N 0 0 306.450 3.418 10 30 DGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)CC ZINC000508482697 340244509 /nfs/dbraw/zinc/24/45/09/340244509.db2.gz ZWEHSZNPAJNVLI-UHFFFAOYSA-N 0 0 321.222 3.350 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N(C)CCOCC ZINC000508886865 340255111 /nfs/dbraw/zinc/25/51/11/340255111.db2.gz FUYABRGLHJTEAF-UHFFFAOYSA-N 0 0 320.481 3.450 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC000508905879 340255555 /nfs/dbraw/zinc/25/55/55/340255555.db2.gz BPTPDERMUNYMNU-HZPDHXFCSA-N 0 0 310.445 3.456 10 30 DGEERN C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC=C ZINC000508988851 340257023 /nfs/dbraw/zinc/25/70/23/340257023.db2.gz XKMQOEGPOITJPW-UHFFFAOYSA-N 0 0 302.809 3.331 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000184248144 340491452 /nfs/dbraw/zinc/49/14/52/340491452.db2.gz MGJRBQSKPLQJLH-ZDUSSCGKSA-N 0 0 306.381 3.203 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000185531776 340502518 /nfs/dbraw/zinc/50/25/18/340502518.db2.gz HMBAOGKPXSXRJO-HNNXBMFYSA-N 0 0 314.429 3.074 10 30 DGEERN CC(C)[C@@H]1C[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000185616417 340503504 /nfs/dbraw/zinc/50/35/04/340503504.db2.gz BXOZHUXGVMYYFT-LSDHHAIUSA-N 0 0 309.331 3.465 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000191014493 340549154 /nfs/dbraw/zinc/54/91/54/340549154.db2.gz MVLXTYHPWOBTJS-SNVBAGLBSA-N 0 0 302.827 3.307 10 30 DGEERN Cc1cccc(C)c1-n1nnnc1SCC#Cc1ccccc1 ZINC000191709021 340558007 /nfs/dbraw/zinc/55/80/07/340558007.db2.gz PIEVPECEUWWKSK-UHFFFAOYSA-N 0 0 320.421 3.423 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)COCc1cc(C)no1 ZINC000193635827 340580693 /nfs/dbraw/zinc/58/06/93/340580693.db2.gz FUGIOQLWNGNZIB-UHFFFAOYSA-N 0 0 306.406 3.095 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000522983466 340612324 /nfs/dbraw/zinc/61/23/24/340612324.db2.gz PSRCKALOQWECJL-UHFFFAOYSA-N 0 0 322.455 3.397 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000529247203 340750237 /nfs/dbraw/zinc/75/02/37/340750237.db2.gz SBQRGRUHUPNTQD-QMTHXVAHSA-N 0 0 313.319 3.474 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529673494 340767573 /nfs/dbraw/zinc/76/75/73/340767573.db2.gz AFDBQXIWEJYVQS-CYBMUJFWSA-N 0 0 301.434 3.261 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000539367607 340882570 /nfs/dbraw/zinc/88/25/70/340882570.db2.gz KTYZQARIHGCUKG-SFHVURJKSA-N 0 0 301.430 3.423 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)C(C)(C)c1cnn(C)c1 ZINC000542214260 341000559 /nfs/dbraw/zinc/00/05/59/341000559.db2.gz PDUBESJSBBVRPQ-UHFFFAOYSA-N 0 0 303.450 3.293 10 30 DGEERN CC1(C#N)CCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000542810456 341021484 /nfs/dbraw/zinc/02/14/84/341021484.db2.gz CNRJVOLQUAZCJP-UHFFFAOYSA-N 0 0 316.792 3.114 10 30 DGEERN C=CCSCCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000130434199 341021543 /nfs/dbraw/zinc/02/15/43/341021543.db2.gz LIDXNAHDJMJPHQ-UHFFFAOYSA-N 0 0 310.375 3.021 10 30 DGEERN C[C@@H](Nc1ccc(CC#N)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000072711620 341100407 /nfs/dbraw/zinc/10/04/07/341100407.db2.gz XFGGHGWJVDTFTK-LSDHHAIUSA-N 0 0 307.397 3.430 10 30 DGEERN Cc1ccc2[nH]cc(CCC(=O)Nc3ccn(CCC#N)n3)c2c1 ZINC000073797289 341121340 /nfs/dbraw/zinc/12/13/40/341121340.db2.gz HEZYFVHYPGXOCT-UHFFFAOYSA-N 0 0 321.384 3.158 10 30 DGEERN CC#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000545904809 341145283 /nfs/dbraw/zinc/14/52/83/341145283.db2.gz XMTONQANDOYFIC-UHFFFAOYSA-N 0 0 317.385 3.434 10 30 DGEERN C=CC[C@H](CC)NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000547400562 341211420 /nfs/dbraw/zinc/21/14/20/341211420.db2.gz YGMXRLKPEPPGSS-ZDUSSCGKSA-N 0 0 304.365 3.015 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000076854142 341214972 /nfs/dbraw/zinc/21/49/72/341214972.db2.gz SXGKADMXEJFYST-UHFFFAOYSA-N 0 0 323.336 3.172 10 30 DGEERN C=CCCCN(C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000076952157 341216152 /nfs/dbraw/zinc/21/61/52/341216152.db2.gz AHHABJSRVLACTM-UHFFFAOYSA-N 0 0 316.445 3.342 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000077278861 341222227 /nfs/dbraw/zinc/22/22/27/341222227.db2.gz DTVZAIZJNKXEOA-UHFFFAOYSA-N 0 0 303.406 3.175 10 30 DGEERN C=CC1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000547746726 341230129 /nfs/dbraw/zinc/23/01/29/341230129.db2.gz UFVTWAIZFACJOG-UHFFFAOYSA-N 0 0 324.218 3.122 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2coc(COC)n2)c1 ZINC000547841945 341236898 /nfs/dbraw/zinc/23/68/98/341236898.db2.gz OEDBHPRODIFDGS-UHFFFAOYSA-N 0 0 302.330 3.028 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC1(C#N)CC1 ZINC000547841079 341236988 /nfs/dbraw/zinc/23/69/88/341236988.db2.gz ITHIISSSRHRDIW-ILXRZTDVSA-N 0 0 304.434 3.265 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000135543771 341241652 /nfs/dbraw/zinc/24/16/52/341241652.db2.gz PTTGGPPJBXQRQF-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCC[C@H](C(=O)N(C)Cc1cnn(C)c1C)c1ccccc1 ZINC000548398539 341258710 /nfs/dbraw/zinc/25/87/10/341258710.db2.gz HSSCIKJWFDCBAB-SFHVURJKSA-N 0 0 311.429 3.437 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCCOC[C@@H]1CCCO1 ZINC000548809321 341276513 /nfs/dbraw/zinc/27/65/13/341276513.db2.gz DPMSBEBSDHURQO-INIZCTEOSA-N 0 0 318.417 3.122 10 30 DGEERN C=C(C)Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCCO1 ZINC000549253100 341289674 /nfs/dbraw/zinc/28/96/74/341289674.db2.gz MXHYHUAWVDBRAV-INIZCTEOSA-N 0 0 318.465 3.202 10 30 DGEERN C=C(C)Cn1c(C2CCCC2)nnc1N1CCS[C@@H](C)C1 ZINC000549266273 341290133 /nfs/dbraw/zinc/29/01/33/341290133.db2.gz NLOPQGVNZXNNBB-ZDUSSCGKSA-N 0 0 306.479 3.454 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@@H]1CCCCO1 ZINC000549603812 341298658 /nfs/dbraw/zinc/29/86/58/341298658.db2.gz QBDQPCOKIOXZLR-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000549678444 341300396 /nfs/dbraw/zinc/30/03/96/341300396.db2.gz VLPDJJYSLPXNIJ-MRXNPFEDSA-N 0 0 318.465 3.058 10 30 DGEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)CCCCC#N ZINC000246043604 341322716 /nfs/dbraw/zinc/32/27/16/341322716.db2.gz SHOBYKHRLCCRAE-ILXRZTDVSA-N 0 0 300.468 3.060 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000551837773 341353399 /nfs/dbraw/zinc/35/33/99/341353399.db2.gz NDDSLMPUEDAWSW-MRXNPFEDSA-N 0 0 311.381 3.272 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000565081527 341516674 /nfs/dbraw/zinc/51/66/74/341516674.db2.gz PPFXMKFTXKMDNQ-CABCVRRESA-N 0 0 304.409 3.465 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1sc(CCC)nc1C ZINC000565665995 341534489 /nfs/dbraw/zinc/53/44/89/341534489.db2.gz HZQRHTMQYDHIGM-UHFFFAOYSA-N 0 0 323.462 3.205 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)ccc1Cl ZINC000565829671 341539652 /nfs/dbraw/zinc/53/96/52/341539652.db2.gz ANFFZIZCHGADRT-HZMBPMFUSA-N 0 0 310.781 3.061 10 30 DGEERN C=CCSCCNC(=O)N(CCc1nccs1)C(C)C ZINC000157203728 341634550 /nfs/dbraw/zinc/63/45/50/341634550.db2.gz JNPSPBOOBLXILU-UHFFFAOYSA-N 0 0 313.492 3.025 10 30 DGEERN C=CCCCCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000568171787 341656354 /nfs/dbraw/zinc/65/63/54/341656354.db2.gz WFDFRKKANXXTEY-UHFFFAOYSA-N 0 0 303.402 3.253 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3c(c2)nc(C)n3C)CCOCC1 ZINC000520220270 500574943 /nfs/dbraw/zinc/57/49/43/500574943.db2.gz XDAYWCJOTVLCNW-UHFFFAOYSA-N 0 0 313.401 3.193 10 30 DGEERN C=CCOc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000446221805 500578484 /nfs/dbraw/zinc/57/84/84/500578484.db2.gz JFBRKGJSXORURY-MJBXVCDLSA-N 0 0 304.390 3.281 10 30 DGEERN C=CCOc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000414684711 500579122 /nfs/dbraw/zinc/57/91/22/500579122.db2.gz RMWQJODRZSIWPO-JQHSSLGASA-N 0 0 315.413 3.469 10 30 DGEERN COC(=O)c1cc(C)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000178679710 533768815 /nfs/dbraw/zinc/76/88/15/533768815.db2.gz PWALWPLYPOKRSW-UHFFFAOYSA-N 0 0 308.337 3.214 10 30 DGEERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCC(C)(C)CCC#N ZINC000358699773 534144379 /nfs/dbraw/zinc/14/43/79/534144379.db2.gz VXBYQQZOHKQWTM-CQSZACIVSA-N 0 0 317.433 3.295 10 30 DGEERN C[C@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1cccs1 ZINC000328663351 534279300 /nfs/dbraw/zinc/27/93/00/534279300.db2.gz BANNVRPYASHJRR-CMPLNLGQSA-N 0 0 304.419 3.124 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000454904799 534319645 /nfs/dbraw/zinc/31/96/45/534319645.db2.gz QSLPNEWXFPSODA-XIRDDKMYSA-N 0 0 302.418 3.336 10 30 DGEERN C=C(C)[C@H](NC(=O)N1C[C@@H]2C[C@H]1CS2)c1ccc(F)c(F)c1 ZINC000458664684 534338493 /nfs/dbraw/zinc/33/84/93/534338493.db2.gz HWHUHWRFSCOTFB-HUBLWGQQSA-N 0 0 324.396 3.481 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](CC)Oc1cccc(C)c1 ZINC000485738013 534359072 /nfs/dbraw/zinc/35/90/72/534359072.db2.gz NLOZAPYSGWGLNT-CGTJXYLNSA-N 0 0 317.429 3.250 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]1c1cccc(OCC)c1 ZINC000486142528 534360844 /nfs/dbraw/zinc/36/08/44/534360844.db2.gz IKDTVBNONYAZOW-VSZNYVQBSA-N 0 0 315.413 3.039 10 30 DGEERN C=CC(C)(C)C(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000451803579 534495016 /nfs/dbraw/zinc/49/50/16/534495016.db2.gz VICRRQAWGVKALW-UHFFFAOYSA-N 0 0 315.442 3.157 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000458991025 534506009 /nfs/dbraw/zinc/50/60/09/534506009.db2.gz SKEBAMVPAFZGOX-UHFFFAOYSA-N 0 0 314.429 3.477 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000455389116 534509456 /nfs/dbraw/zinc/50/94/56/534509456.db2.gz SVYRGRTZJOLYNZ-UHFFFAOYSA-N 0 0 306.381 3.114 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000455385647 534515676 /nfs/dbraw/zinc/51/56/76/534515676.db2.gz OCOYEUNZBZDBPO-AWEZNQCLSA-N 0 0 306.381 3.333 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000458805796 534545589 /nfs/dbraw/zinc/54/55/89/534545589.db2.gz AYERZNVWJVRIDX-OAGGEKHMSA-N 0 0 308.466 3.314 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)c(OC)cc1C ZINC000455287583 534567601 /nfs/dbraw/zinc/56/76/01/534567601.db2.gz XHPVPQGQVMZMOV-HIFRSBDPSA-N 0 0 304.390 3.167 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCO[C@H](c4ccco4)C3)cc2)CC1 ZINC000180528893 534573049 /nfs/dbraw/zinc/57/30/49/534573049.db2.gz YYWOJBPFOZPTKA-KRWDZBQOSA-N 0 0 322.364 3.048 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCOc4ccccc43)cc2)CC1 ZINC000182869976 534575163 /nfs/dbraw/zinc/57/51/63/534575163.db2.gz RXKGDOUESFPFBF-UHFFFAOYSA-N 0 0 304.349 3.281 10 30 DGEERN N#CC1CCC(CNC(=O)NCC(F)(F)c2ccccc2)CC1 ZINC000358142872 534580555 /nfs/dbraw/zinc/58/05/55/534580555.db2.gz OWCGCXMEKSXWJT-UHFFFAOYSA-N 0 0 321.371 3.408 10 30 DGEERN N#CC1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000408350346 534584606 /nfs/dbraw/zinc/58/46/06/534584606.db2.gz POALBBBZQKZJEV-QWHCGFSZSA-N 0 0 317.355 3.300 10 30 DGEERN C=CCC1(C(=O)N2CCN(c3cnccc3C)CC2)CCCC1 ZINC000451428645 534585254 /nfs/dbraw/zinc/58/52/54/534585254.db2.gz KWINOTSBNZPEDY-UHFFFAOYSA-N 0 0 313.445 3.175 10 30 DGEERN COCCn1c(C)cc(C=NNc2cccc([N+](=O)[O-])c2)c1C ZINC000005965730 522061237 /nfs/dbraw/zinc/06/12/37/522061237.db2.gz PNSMRMVGBNUERD-GZTJUZNOSA-N 0 0 316.361 3.106 10 30 DGEERN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000451610028 534609930 /nfs/dbraw/zinc/60/99/30/534609930.db2.gz RIJULENCDCKMID-GDLCADMTSA-N 0 0 319.405 3.338 10 30 DGEERN N#CCCN(CC(F)(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181485377 534635332 /nfs/dbraw/zinc/63/53/32/534635332.db2.gz UHMBGVNQFFLDLR-UHFFFAOYSA-N 0 0 321.302 3.160 10 30 DGEERN N#CCCN(CC1CC1)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000174188081 534642260 /nfs/dbraw/zinc/64/22/60/534642260.db2.gz VOBFQYQCYQYSFH-UHFFFAOYSA-N 0 0 311.429 3.443 10 30 DGEERN N#CCC[C@@H](NC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000132497670 534656093 /nfs/dbraw/zinc/65/60/93/534656093.db2.gz XAGFEDGBUNGUCN-IAGOWNOFSA-N 0 0 321.380 3.464 10 30 DGEERN C=CCCCNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000468368369 534729123 /nfs/dbraw/zinc/72/91/23/534729123.db2.gz UHBWQZSDHFANJN-LLVKDONJSA-N 0 0 312.207 3.299 10 30 DGEERN C=CCCCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000468389493 534733008 /nfs/dbraw/zinc/73/30/08/534733008.db2.gz HLFSYADSHBUNJW-UHFFFAOYSA-N 0 0 316.382 3.235 10 30 DGEERN Cc1csc(C(=O)N[C@H]2CCC[C@H]2C#N)c1Br ZINC000408357251 534790468 /nfs/dbraw/zinc/79/04/68/534790468.db2.gz JWIFCTYVBGNFLC-IUCAKERBSA-N 0 0 313.220 3.241 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 ZINC000171576248 534824751 /nfs/dbraw/zinc/82/47/51/534824751.db2.gz ZZTAWVQBDXXCEY-QGZVFWFLSA-N 0 0 322.412 3.080 10 30 DGEERN Cc1nn(CC(=O)N[C@@](C)(C#N)CC(C)C)cc1-c1ccccc1 ZINC000435902186 534855732 /nfs/dbraw/zinc/85/57/32/534855732.db2.gz KMNLNQMJURJLFD-LJQANCHMSA-N 0 0 324.428 3.303 10 30 DGEERN C=CCOc1ccc(CC(=O)NCCCC2CCOCC2)cc1 ZINC000452196043 534881113 /nfs/dbraw/zinc/88/11/13/534881113.db2.gz CLBAKUYDGABNHA-UHFFFAOYSA-N 0 0 317.429 3.117 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000179797431 526003100 /nfs/dbraw/zinc/00/31/00/526003100.db2.gz RHWZPMBPUXQRPA-UHFFFAOYSA-N 0 0 318.340 3.296 10 30 DGEERN COc1cccc(Cl)c1CC(=O)NCc1cccc(C#N)c1 ZINC000157278886 526093127 /nfs/dbraw/zinc/09/31/27/526093127.db2.gz HSQSPMUSZWPZFP-UHFFFAOYSA-N 0 0 314.772 3.079 10 30 DGEERN C=CCN(CCc1ccco1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000352701868 526325380 /nfs/dbraw/zinc/32/53/80/526325380.db2.gz PDNGKSNHJAOCGL-UHFFFAOYSA-N 0 0 320.339 3.227 10 30 DGEERN C=CCN(Cc1cc(C(=O)OC)c(CC)o1)CC(F)(F)F ZINC000338945168 526331569 /nfs/dbraw/zinc/33/15/69/526331569.db2.gz MFUCHIRQCNWOFZ-UHFFFAOYSA-N 0 0 305.296 3.179 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ncccc1OCC ZINC000177591772 526347246 /nfs/dbraw/zinc/34/72/46/526347246.db2.gz FZKSXWLIQAKJTK-UHFFFAOYSA-N 0 0 321.380 3.180 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N(CC)C(C)C ZINC000162608701 526348440 /nfs/dbraw/zinc/34/84/40/526348440.db2.gz RKTAUGNZHJRTQF-UHFFFAOYSA-N 0 0 305.378 3.433 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](OC)[C@@H](C)CC ZINC000355274259 526348541 /nfs/dbraw/zinc/34/85/41/526348541.db2.gz JPCBBNAYUNSELI-BBRMVZONSA-N 0 0 320.389 3.171 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)C1 ZINC000336914316 526348691 /nfs/dbraw/zinc/34/86/91/526348691.db2.gz KVRDPTIWXLFYBX-ZDUSSCGKSA-N 0 0 303.362 3.045 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2cc(C#N)ccc2[N+](=O)[O-])c1 ZINC000302233350 526483777 /nfs/dbraw/zinc/48/37/77/526483777.db2.gz ZMBCICMTLFLBDJ-UHFFFAOYSA-N 0 0 310.313 3.193 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433646207 526489650 /nfs/dbraw/zinc/48/96/50/526489650.db2.gz RSZPFNFHIJNLIE-LBPRGKRZSA-N 0 0 304.287 3.489 10 30 DGEERN C=C(C)CN(C)c1nnc([C@H]2CCCS2)n1C[C@@H]1CCCO1 ZINC000424361272 526508403 /nfs/dbraw/zinc/50/84/03/526508403.db2.gz XDTBHVDJBFAXBV-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)CN(CC)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000155159404 526532885 /nfs/dbraw/zinc/53/28/85/526532885.db2.gz HFPSURNQXQFIFL-UHFFFAOYSA-N 0 0 312.417 3.288 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cn(C)nc1OC ZINC000347420103 526565453 /nfs/dbraw/zinc/56/54/53/526565453.db2.gz PJUZTKAZMQFPCG-UHFFFAOYSA-N 0 0 314.389 3.039 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCOCC1 ZINC000342455197 526571397 /nfs/dbraw/zinc/57/13/97/526571397.db2.gz CZUAUADFTGEING-QGZVFWFLSA-N 0 0 319.449 3.185 10 30 DGEERN C=CCNC(=O)c1ccc(NC[C@H]2CCO[C@@H](CC)C2)cc1 ZINC000419737033 526654434 /nfs/dbraw/zinc/65/44/34/526654434.db2.gz CDWHWYSGYGAXOU-YOEHRIQHSA-N 0 0 302.418 3.220 10 30 DGEERN C=CCNC(=O)c1ccc(N[C@@H]2CCOc3c(C)cccc32)nc1 ZINC000302664778 526655252 /nfs/dbraw/zinc/65/52/52/526655252.db2.gz JBFGEXJJLAQBHJ-MRXNPFEDSA-N 0 0 323.396 3.242 10 30 DGEERN C#CCC(C)(C)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000185672137 526669170 /nfs/dbraw/zinc/66/91/70/526669170.db2.gz VTWBEWKCYOEIDJ-UHFFFAOYSA-N 0 0 315.398 3.202 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@H](O)C2(C)C)c1 ZINC000361758692 526669013 /nfs/dbraw/zinc/66/90/13/526669013.db2.gz AVKLMPSNWIPBNJ-HNNXBMFYSA-N 0 0 304.390 3.019 10 30 DGEERN C=C(C)COc1cccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000134252244 526670494 /nfs/dbraw/zinc/67/04/94/526670494.db2.gz SXBQIWTVNFZMRN-OAHLLOKOSA-N 0 0 311.385 3.423 10 30 DGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C[C@H]1CCCC(=O)N1 ZINC000329552060 526681100 /nfs/dbraw/zinc/68/11/00/526681100.db2.gz JQKZNMSFKHEHAW-UEKVPHQBSA-N 0 0 309.410 3.376 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000435442498 526686516 /nfs/dbraw/zinc/68/65/16/526686516.db2.gz IVZOWQMYDAOHEO-GFCCVEGCSA-N 0 0 320.241 3.476 10 30 DGEERN C=CCOCC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000356039985 526687656 /nfs/dbraw/zinc/68/76/56/526687656.db2.gz CMJSXWDSUQSNSC-MRXNPFEDSA-N 0 0 302.418 3.146 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000185065739 526693708 /nfs/dbraw/zinc/69/37/08/526693708.db2.gz FGHNWDMPCHGXAO-CQSZACIVSA-N 0 0 312.417 3.038 10 30 DGEERN C#CCCCCNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000155026300 526695935 /nfs/dbraw/zinc/69/59/35/526695935.db2.gz IAQYPJGUZSRXEF-UHFFFAOYSA-N 0 0 318.392 3.182 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCOCc1ccc(OC)cc1 ZINC000185431894 526697652 /nfs/dbraw/zinc/69/76/52/526697652.db2.gz GVGHIDGZZOCRKF-OAHLLOKOSA-N 0 0 305.418 3.320 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000185493936 526700364 /nfs/dbraw/zinc/70/03/64/526700364.db2.gz BNLGHXJLQXPQGX-KGLIPLIRSA-N 0 0 305.418 3.353 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000185281563 526700522 /nfs/dbraw/zinc/70/05/22/526700522.db2.gz UGPIIHXIWYABKN-ZIAGYGMSSA-N 0 0 316.401 3.423 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000352067688 526700652 /nfs/dbraw/zinc/70/06/52/526700652.db2.gz FHBAXURKCYNVGX-ZJUUUORDSA-N 0 0 312.211 3.019 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000184283908 526701817 /nfs/dbraw/zinc/70/18/17/526701817.db2.gz IQBZZUVSCPABDJ-LLVKDONJSA-N 0 0 313.357 3.346 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000185236135 526703877 /nfs/dbraw/zinc/70/38/77/526703877.db2.gz AMFGCAQUOZLAPJ-CYBMUJFWSA-N 0 0 324.446 3.297 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000184965874 526704161 /nfs/dbraw/zinc/70/41/61/526704161.db2.gz YXIVRIAIIOZFCH-CQSZACIVSA-N 0 0 300.402 3.463 10 30 DGEERN C#CCCCCNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000124478489 526704291 /nfs/dbraw/zinc/70/42/91/526704291.db2.gz MCFMSWPCBUTCFY-GOSISDBHSA-N 0 0 307.397 3.274 10 30 DGEERN C=CCOCC(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000358890934 526708121 /nfs/dbraw/zinc/70/81/21/526708121.db2.gz XCSTYBOECSXISV-UHFFFAOYSA-N 0 0 311.381 3.181 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368729654 526713760 /nfs/dbraw/zinc/71/37/60/526713760.db2.gz QPHVKDCYZRZQIJ-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000185275120 526714516 /nfs/dbraw/zinc/71/45/16/526714516.db2.gz IDZMXJFUKMMLMU-QWHCGFSZSA-N 0 0 304.390 3.201 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000184869400 526716255 /nfs/dbraw/zinc/71/62/55/526716255.db2.gz UMIGTYPBEMWCKA-NSHDSACASA-N 0 0 306.387 3.210 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000185134698 526716514 /nfs/dbraw/zinc/71/65/14/526716514.db2.gz MOISUQOVMPTYII-XOVSCCBYSA-N 0 0 318.369 3.389 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1nccs1 ZINC000338826443 526718760 /nfs/dbraw/zinc/71/87/60/526718760.db2.gz FBKWTZIFHOVAJF-UHFFFAOYSA-N 0 0 315.402 3.207 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CC2(CCCC2)OC(C)(C)C1 ZINC000338789942 526722023 /nfs/dbraw/zinc/72/20/23/526722023.db2.gz TXHLBRYXTSLZKD-UHFFFAOYSA-N 0 0 304.438 3.091 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(CCc1nccs1)C(C)C ZINC000358802666 526722684 /nfs/dbraw/zinc/72/26/84/526722684.db2.gz FYKVTZWYDJZKJV-UHFFFAOYSA-N 0 0 305.451 3.077 10 30 DGEERN C=CCOCCCC(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000340938502 526729413 /nfs/dbraw/zinc/72/94/13/526729413.db2.gz RPKPIUVGNAPTSW-UHFFFAOYSA-N 0 0 316.426 3.205 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCCCC1 ZINC000338804934 526729734 /nfs/dbraw/zinc/72/97/34/526729734.db2.gz XMTGCIASIVTWEN-UHFFFAOYSA-N 0 0 300.406 3.223 10 30 DGEERN C=CCOCCCC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000173721224 526730094 /nfs/dbraw/zinc/73/00/94/526730094.db2.gz OKXUCZLPCRNPAV-HZPDHXFCSA-N 0 0 309.450 3.165 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)[C@H](C)[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000417501677 526732506 /nfs/dbraw/zinc/73/25/06/526732506.db2.gz JWXBIPALWGPDIK-OIPACUDHSA-N 0 0 318.465 3.361 10 30 DGEERN C=CCOCCCC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129056117 526734078 /nfs/dbraw/zinc/73/40/78/526734078.db2.gz BVXYOLUCDLNIOO-KRWDZBQOSA-N 0 0 321.392 3.017 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCO[C@H](CC)C1 ZINC000424250193 526735210 /nfs/dbraw/zinc/73/52/10/526735210.db2.gz PILCOSQFZFDGSE-KGLIPLIRSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000359243283 526736572 /nfs/dbraw/zinc/73/65/72/526736572.db2.gz PASZGTOTQKAOIQ-HUUCEWRRSA-N 0 0 316.449 3.127 10 30 DGEERN CC(C)(C)[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000440991514 526738534 /nfs/dbraw/zinc/73/85/34/526738534.db2.gz OOFGIUMVYPYTNI-QDIHITRGSA-N 0 0 321.465 3.209 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)CCCCOC ZINC000424244429 526740281 /nfs/dbraw/zinc/74/02/81/526740281.db2.gz KWZGPJSQABJMMN-CQSZACIVSA-N 0 0 324.494 3.285 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H]1CCOc2c(C)cccc21)OCC ZINC000355944521 526750528 /nfs/dbraw/zinc/75/05/28/526750528.db2.gz FZQCPDPGEYAFBA-HZPDHXFCSA-N 0 0 303.402 3.306 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sc([C@@H](C)OC)nc1C ZINC000331251699 526765688 /nfs/dbraw/zinc/76/56/88/526765688.db2.gz XUYOOIQPXMFUAF-UPJWGTAASA-N 0 0 324.446 3.445 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC000331246632 526766055 /nfs/dbraw/zinc/76/60/55/526766055.db2.gz SOCMGARDNCRTEX-BJJXKVORSA-N 0 0 305.422 3.448 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000359389889 526766091 /nfs/dbraw/zinc/76/60/91/526766091.db2.gz NUGORGKREIQQFZ-JSGCOSHPSA-N 0 0 315.398 3.125 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000334089097 526777038 /nfs/dbraw/zinc/77/70/38/526777038.db2.gz KUUMLHVORNOPPF-NCOADZHNSA-N 0 0 308.466 3.482 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(F)cc(F)c1F ZINC000296981211 526798563 /nfs/dbraw/zinc/79/85/63/526798563.db2.gz HBKNDHMICWQDLG-XPTSAGLGSA-N 0 0 314.307 3.207 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(C(C)C)c1 ZINC000435604614 526803533 /nfs/dbraw/zinc/80/35/33/526803533.db2.gz PJVSHVQUHIOLKF-RDJZCZTQSA-N 0 0 323.458 3.070 10 30 DGEERN CC(=O)N[C@@H](CC(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178386545 526837699 /nfs/dbraw/zinc/83/76/99/526837699.db2.gz VPIJIVZXGAVMAE-SFHVURJKSA-N 0 0 321.380 3.073 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H](CC)C(F)(F)F)cc1OC ZINC000346878454 526850774 /nfs/dbraw/zinc/85/07/74/526850774.db2.gz AHLAHJSGHJZGHF-ZDUSSCGKSA-N 0 0 317.307 3.331 10 30 DGEERN C=CCOc1ccc(CN2C(=O)[C@@H](CC(C)C)N(C)C2=O)cc1 ZINC000348606653 526863428 /nfs/dbraw/zinc/86/34/28/526863428.db2.gz NZXOBROWTBTMGR-MRXNPFEDSA-N 0 0 316.401 3.060 10 30 DGEERN C=C(CNC(=O)NCc1ccc(Cl)cn1)c1ccccc1 ZINC000355018703 526872318 /nfs/dbraw/zinc/87/23/18/526872318.db2.gz QKPBYIQRKBKVRW-UHFFFAOYSA-N 0 0 301.777 3.248 10 30 DGEERN C=C(CNC(=O)NCc1nccn1CC(C)C)c1ccccc1 ZINC000353725148 526873994 /nfs/dbraw/zinc/87/39/94/526873994.db2.gz PEGWBDUUJGFERG-UHFFFAOYSA-N 0 0 312.417 3.052 10 30 DGEERN C=C(CNC(=O)Nc1ccc2nc(C)cn2c1)c1ccccc1 ZINC000349414924 526876019 /nfs/dbraw/zinc/87/60/19/526876019.db2.gz PUNPWLMWLGUTLR-UHFFFAOYSA-N 0 0 306.369 3.478 10 30 DGEERN C=CCOc1ccc(CNC(=O)Cc2ccc(C)s2)cc1 ZINC000355704970 526876451 /nfs/dbraw/zinc/87/64/51/526876451.db2.gz JPJAAYCQSNEWSI-UHFFFAOYSA-N 0 0 301.411 3.480 10 30 DGEERN C=C(CNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccccc1 ZINC000360226846 526880062 /nfs/dbraw/zinc/88/00/62/526880062.db2.gz QRIFQMNTOVEYSU-OAHLLOKOSA-N 0 0 321.424 3.371 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2nc(CC)oc2C)cc1 ZINC000355730493 526884467 /nfs/dbraw/zinc/88/44/67/526884467.db2.gz OJLZGSKUSCBCIY-UHFFFAOYSA-N 0 0 300.358 3.040 10 30 DGEERN C=C(CNc1cnn(Cc2ccccc2)c(=O)c1)c1ccccc1 ZINC000340871697 526885256 /nfs/dbraw/zinc/88/52/56/526885256.db2.gz HWWFJPYAHDTROJ-UHFFFAOYSA-N 0 0 317.392 3.417 10 30 DGEERN C=CCOc1ccc(CNCc2ncc(COC)s2)cc1 ZINC000352920873 526887831 /nfs/dbraw/zinc/88/78/31/526887831.db2.gz CGQMKBTXFPZUSV-UHFFFAOYSA-N 0 0 304.415 3.144 10 30 DGEERN C=CCOc1ccc(CNc2ccc(F)c(NC(N)=O)c2)cc1 ZINC000353740563 526892601 /nfs/dbraw/zinc/89/26/01/526892601.db2.gz QATRFLWRQIWVBT-UHFFFAOYSA-N 0 0 315.348 3.493 10 30 DGEERN C=C1CCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000339983907 526901731 /nfs/dbraw/zinc/90/17/31/526901731.db2.gz FSNKQWZOUVLLKL-ZDUSSCGKSA-N 0 0 306.431 3.138 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1nc2cccnc2n1CC ZINC000349901268 526928942 /nfs/dbraw/zinc/92/89/42/526928942.db2.gz ACFVSIKVGLOSAG-UHFFFAOYSA-N 0 0 322.368 3.268 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2CCCc3nc(C)sc32)CC1 ZINC000359907953 526968532 /nfs/dbraw/zinc/96/85/32/526968532.db2.gz ZRMPALNKFXUFLX-CQSZACIVSA-N 0 0 305.447 3.437 10 30 DGEERN C=CCSCCNC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338530804 526996767 /nfs/dbraw/zinc/99/67/67/526996767.db2.gz MIAUCPRPGAZILB-UHFFFAOYSA-N 0 0 319.352 3.450 10 30 DGEERN C=CCSCCNC(=O)c1cccc(-c2cscn2)c1 ZINC000357283627 527001807 /nfs/dbraw/zinc/00/18/07/527001807.db2.gz NDDRFZHMSYUJNR-UHFFFAOYSA-N 0 0 304.440 3.459 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000342539891 527008337 /nfs/dbraw/zinc/00/83/37/527008337.db2.gz CHQAZVRSULBMNB-HIFRSBDPSA-N 0 0 305.443 3.462 10 30 DGEERN C=CCSc1ccccc1C(=O)NCC1(CCO)CCC1 ZINC000362420198 527008369 /nfs/dbraw/zinc/00/83/69/527008369.db2.gz QIYKTWYBCVECAZ-UHFFFAOYSA-N 0 0 305.443 3.247 10 30 DGEERN C=CCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000432258607 527018267 /nfs/dbraw/zinc/01/82/67/527018267.db2.gz KOOMYTZQKMETNX-UHFFFAOYSA-N 0 0 312.822 3.092 10 30 DGEERN C=CCC(C)(C)c1noc(-c2cc(S(C)(=O)=O)cs2)n1 ZINC000340780632 527019483 /nfs/dbraw/zinc/01/94/83/527019483.db2.gz BKYBEGFGQMVJSX-UHFFFAOYSA-N 0 0 312.416 3.055 10 30 DGEERN C=CC[C@@H](CC)N1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000348559311 527035058 /nfs/dbraw/zinc/03/50/58/527035058.db2.gz XJSVGJZKCVQEAY-GFCCVEGCSA-N 0 0 308.328 3.084 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2cc(C)ccc2F)CCOCC1 ZINC000424813957 527039144 /nfs/dbraw/zinc/03/91/44/527039144.db2.gz UDOKHOJBDVTRRR-UHFFFAOYSA-N 0 0 305.393 3.465 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2cccc(N(C)C)c2)CCOCC1 ZINC000424730367 527039545 /nfs/dbraw/zinc/03/95/45/527039545.db2.gz CSDMWEPRMWNVLV-UHFFFAOYSA-N 0 0 316.445 3.084 10 30 DGEERN C=CCC1(C(=O)N[C@H](C#N)c2ccc(CC)cc2)CCOCC1 ZINC000425622065 527058298 /nfs/dbraw/zinc/05/82/98/527058298.db2.gz OQJBHMLXKPUPDX-QGZVFWFLSA-N 0 0 312.413 3.303 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CCCCC1 ZINC000448752362 527060970 /nfs/dbraw/zinc/06/09/70/527060970.db2.gz NANDYMGDHFLRBV-UHFFFAOYSA-N 0 0 314.385 3.483 10 30 DGEERN C=CCC1(C(=O)Nc2nc3ccccc3n2CC)CCOCC1 ZINC000425149701 527062489 /nfs/dbraw/zinc/06/24/89/527062489.db2.gz RUUUMLIMKWGXKS-UHFFFAOYSA-N 0 0 313.401 3.368 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000185819307 527086826 /nfs/dbraw/zinc/08/68/26/527086826.db2.gz RNJDOSNGOKHEQM-LBPRGKRZSA-N 0 0 316.228 3.369 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1COC(C)(C)CC ZINC000350982179 527095555 /nfs/dbraw/zinc/09/55/55/527095555.db2.gz IFPWMWFRPRFMST-HNNXBMFYSA-N 0 0 320.433 3.450 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000441957821 527097200 /nfs/dbraw/zinc/09/72/00/527097200.db2.gz VAMZAZZOYBANHB-RYUDHWBXSA-N 0 0 323.462 3.107 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000337069788 527098214 /nfs/dbraw/zinc/09/82/14/527098214.db2.gz MJFGRTCOFHSJAL-VIFPVBQESA-N 0 0 310.806 3.063 10 30 DGEERN C=CC[C@@H](CO)Nc1nc(C)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000358486451 527104476 /nfs/dbraw/zinc/10/44/76/527104476.db2.gz YEWCPLGMSXZTPE-PWSUYJOCSA-N 0 0 317.458 3.473 10 30 DGEERN C=CC[C@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051165 527120612 /nfs/dbraw/zinc/12/06/12/527120612.db2.gz OGZMPHQFORSLMM-AEFFLSMTSA-N 0 0 309.413 3.096 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000287610924 527159543 /nfs/dbraw/zinc/15/95/43/527159543.db2.gz ZGJDBXTXQWNTCC-LPHOPBHVSA-N 0 0 321.424 3.419 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(COC)c1 ZINC000285951136 527161493 /nfs/dbraw/zinc/16/14/93/527161493.db2.gz VLYODAAKEAWWBW-IBGZPJMESA-N 0 0 307.393 3.197 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000163553475 527186110 /nfs/dbraw/zinc/18/61/10/527186110.db2.gz SARVLQCXNINYTR-UHFFFAOYSA-N 0 0 308.378 3.142 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000346962597 527188968 /nfs/dbraw/zinc/18/89/68/527188968.db2.gz UWETWKBLQGHTRW-QGZVFWFLSA-N 0 0 314.429 3.081 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000135656203 527191178 /nfs/dbraw/zinc/19/11/78/527191178.db2.gz CDGZXXDDFFVWRU-UHFFFAOYSA-N 0 0 301.434 3.356 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000185876462 527193996 /nfs/dbraw/zinc/19/39/96/527193996.db2.gz QEPKMSULQLQHIL-VXGBXAGGSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCCCN(C)c1nnc(C2CC2)n1C[C@@H]1CCCCO1 ZINC000339135035 527194995 /nfs/dbraw/zinc/19/49/95/527194995.db2.gz GUXNFIQZBRKSRF-HNNXBMFYSA-N 0 0 304.438 3.127 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000183512931 527200224 /nfs/dbraw/zinc/20/02/24/527200224.db2.gz XPMGZWWAHGAYDO-NXEZZACHSA-N 0 0 317.216 3.291 10 30 DGEERN C=CCCCNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000447815915 527200306 /nfs/dbraw/zinc/20/03/06/527200306.db2.gz HCAKOCQATRURPY-UHFFFAOYSA-N 0 0 308.307 3.357 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000413762580 527201512 /nfs/dbraw/zinc/20/15/12/527201512.db2.gz UYJBPHLZQZKVAC-DZOHQFGASA-N 0 0 316.445 3.195 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000337051322 527208386 /nfs/dbraw/zinc/20/83/86/527208386.db2.gz JQGHKPSGBRNAIS-CQSZACIVSA-N 0 0 317.335 3.299 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000420099026 527212139 /nfs/dbraw/zinc/21/21/39/527212139.db2.gz DZPFYPIUIWQDAK-TVFCKZIOSA-N 0 0 324.424 3.237 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cscn1 ZINC000413199249 527218647 /nfs/dbraw/zinc/21/86/47/527218647.db2.gz JBOXWAFLZSCKIL-CQSZACIVSA-N 0 0 301.415 3.130 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000420866378 527219380 /nfs/dbraw/zinc/21/93/80/527219380.db2.gz XNSBZIRCDNRSPK-KURKYZTESA-N 0 0 316.445 3.431 10 30 DGEERN C=CC[C@H]1N(C(=O)c2cc(C(=O)OC)ccn2)CCCC1(C)C ZINC000415524510 527225260 /nfs/dbraw/zinc/22/52/60/527225260.db2.gz APZAOZVPVOANKK-OAHLLOKOSA-N 0 0 316.401 3.075 10 30 DGEERN C=CCc1cc(CNc2cn(C)nc2C2CC2)cc(OC)c1O ZINC000291344606 527245286 /nfs/dbraw/zinc/24/52/86/527245286.db2.gz WJSFKWCWECMUDU-UHFFFAOYSA-N 0 0 313.401 3.352 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000352237616 527252608 /nfs/dbraw/zinc/25/26/08/527252608.db2.gz KENUJYDPVDFDDX-HZPDHXFCSA-N 0 0 316.445 3.375 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1coc(C(N)=O)c1 ZINC000356846447 527260028 /nfs/dbraw/zinc/26/00/28/527260028.db2.gz YZSMKUXPFPECSR-UHFFFAOYSA-N 0 0 312.369 3.483 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000343347088 527267551 /nfs/dbraw/zinc/26/75/51/527267551.db2.gz KZMMJGDFVMZSBF-CYBMUJFWSA-N 0 0 320.437 3.409 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000343492684 527270320 /nfs/dbraw/zinc/27/03/20/527270320.db2.gz NOFUAYOUYZRODZ-GFCCVEGCSA-N 0 0 315.373 3.220 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000353482349 527270449 /nfs/dbraw/zinc/27/04/49/527270449.db2.gz YSDHZFILEBLLIM-CYBMUJFWSA-N 0 0 300.402 3.053 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000352253081 527281715 /nfs/dbraw/zinc/28/17/15/527281715.db2.gz VJHSYNGGNUJZLO-LBPRGKRZSA-N 0 0 324.371 3.101 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000337805163 527292268 /nfs/dbraw/zinc/29/22/68/527292268.db2.gz HFNVZSUEGHMGPA-NSHDSACASA-N 0 0 302.344 3.366 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000343238165 527295385 /nfs/dbraw/zinc/29/53/85/527295385.db2.gz MQRHOZNZKRFWSK-GJZGRUSLSA-N 0 0 301.434 3.402 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000337855707 527300776 /nfs/dbraw/zinc/30/07/76/527300776.db2.gz LFZYUAVWOQVXAP-QGZVFWFLSA-N 0 0 300.381 3.080 10 30 DGEERN CC(=O)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1Cl ZINC000182529382 527302106 /nfs/dbraw/zinc/30/21/06/527302106.db2.gz WACITQSYBVYZFN-UHFFFAOYSA-N 0 0 305.765 3.310 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1scnc1C ZINC000337871776 527316124 /nfs/dbraw/zinc/31/61/24/527316124.db2.gz VPQKRPBPXWRWNJ-UHFFFAOYSA-N 0 0 319.478 3.454 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)Cc1ccco1 ZINC000337818626 527320381 /nfs/dbraw/zinc/32/03/81/527320381.db2.gz QFGZAFOSSDFLAY-UHFFFAOYSA-N 0 0 312.373 3.072 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC000351173250 527323602 /nfs/dbraw/zinc/32/36/02/527323602.db2.gz VZEHRKPKGAAVEU-AWEZNQCLSA-N 0 0 316.405 3.244 10 30 DGEERN C=CCn1c(COCC)nnc1N1Cc2ccccc2C2(CC2)C1 ZINC000350788305 527324686 /nfs/dbraw/zinc/32/46/86/527324686.db2.gz CVSUWHCQQMESFO-UHFFFAOYSA-N 0 0 324.428 3.052 10 30 DGEERN C=CCn1c(COc2ccc(C)cc2)nnc1N(CC)C1CC1 ZINC000351072439 527325372 /nfs/dbraw/zinc/32/53/72/527325372.db2.gz HEXRFCSLZURPNZ-UHFFFAOYSA-N 0 0 312.417 3.340 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000337846538 527328013 /nfs/dbraw/zinc/32/80/13/527328013.db2.gz HOPDQFCUCOZWIA-HZPDHXFCSA-N 0 0 323.444 3.076 10 30 DGEERN C=CCCOCCCCc1nc(-c2ccc(OC)nc2)no1 ZINC000342668846 527337645 /nfs/dbraw/zinc/33/76/45/527337645.db2.gz CMTDOOLWYQDRSQ-UHFFFAOYSA-N 0 0 303.362 3.056 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1ccc(C)cc1 ZINC000442920983 527338701 /nfs/dbraw/zinc/33/87/01/527338701.db2.gz QCSMDATZKJRIEL-UHFFFAOYSA-N 0 0 315.442 3.447 10 30 DGEERN C=CCCOCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000127442725 527348013 /nfs/dbraw/zinc/34/80/13/527348013.db2.gz AUOQTEXRKJQGPT-UHFFFAOYSA-N 0 0 306.431 3.140 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362767090 527356917 /nfs/dbraw/zinc/35/69/17/527356917.db2.gz VUMDLGNRYSXNKB-LBPRGKRZSA-N 0 0 319.430 3.249 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173415781 527389892 /nfs/dbraw/zinc/38/98/92/527389892.db2.gz MWQJGRWIIXCBRV-ZIAGYGMSSA-N 0 0 308.447 3.139 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159560027 527399602 /nfs/dbraw/zinc/39/96/02/527399602.db2.gz AMVAGRVYUQQQPS-LSDHHAIUSA-N 0 0 313.401 3.031 10 30 DGEERN C=C[C@@H](C)NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000349415705 527411854 /nfs/dbraw/zinc/41/18/54/527411854.db2.gz RLYRUXRHDUWQQF-HIFRSBDPSA-N 0 0 301.434 3.184 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000133223485 527422841 /nfs/dbraw/zinc/42/28/41/527422841.db2.gz SMVDGWBQPWBPNK-CABCVRRESA-N 0 0 324.428 3.152 10 30 DGEERN C=CCC[C@@H](C(=O)NCC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000337025042 527423925 /nfs/dbraw/zinc/42/39/25/527423925.db2.gz BZOIAODWSHQSLH-KGLIPLIRSA-N 0 0 315.335 3.166 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)Cc2ncc(CC)s2)cc1 ZINC000297032802 527435117 /nfs/dbraw/zinc/43/51/17/527435117.db2.gz WUHBNSNGAFLDBV-UHFFFAOYSA-N 0 0 313.426 3.028 10 30 DGEERN C=CCC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)c1ccccc1 ZINC000295620491 527475726 /nfs/dbraw/zinc/47/57/26/527475726.db2.gz ZTRQRMIJTIQDCC-SQNIBIBYSA-N 0 0 317.429 3.252 10 30 DGEERN C=CCC[C@H](NC(=O)NCC1(CCO)CC1)c1ccccc1 ZINC000187647219 527477585 /nfs/dbraw/zinc/47/75/85/527477585.db2.gz LAMWKQGYUULYQK-INIZCTEOSA-N 0 0 302.418 3.156 10 30 DGEERN C=CCC[C@H](NC(=O)NCC[C@@H](C)[S@](C)=O)c1ccccc1 ZINC000159504413 527478446 /nfs/dbraw/zinc/47/84/46/527478446.db2.gz OOIILDDMUJUDBW-WEBUEUPWSA-N 0 0 322.474 3.150 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)cc(Br)c1 ZINC000424920716 527496701 /nfs/dbraw/zinc/49/67/01/527496701.db2.gz CSHORMSZCFZBPE-FZMZJTMJSA-N 0 0 324.218 3.078 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000353655337 527510193 /nfs/dbraw/zinc/51/01/93/527510193.db2.gz GQXNTUYGSPBVGJ-AWEZNQCLSA-N 0 0 310.401 3.207 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1OC1CCC1 ZINC000188903532 527531839 /nfs/dbraw/zinc/53/18/39/527531839.db2.gz CSLVQVNDWPPTON-IBGZPJMESA-N 0 0 317.429 3.463 10 30 DGEERN C=C[C@H](CC(=O)N1CC(=O)Nc2c(C)ccnc21)c1ccccc1 ZINC000180861496 527572189 /nfs/dbraw/zinc/57/21/89/527572189.db2.gz GKCZCBLPMSRGBO-CQSZACIVSA-N 0 0 321.380 3.035 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2nc(C)n(C)c2c1 ZINC000355376113 527588322 /nfs/dbraw/zinc/58/83/22/527588322.db2.gz NKVAHLKQRPGXKI-UHFFFAOYSA-N 0 0 311.307 3.072 10 30 DGEERN C=C[C@](C)(CC)c1nc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000347172608 527614396 /nfs/dbraw/zinc/61/43/96/527614396.db2.gz LRXYJOYBVYAFJM-GOSISDBHSA-N 0 0 313.401 3.124 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000188667855 527618572 /nfs/dbraw/zinc/61/85/72/527618572.db2.gz DVFRSDUGZJMIPD-VDZJLULYSA-N 0 0 317.429 3.204 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000359435922 527626520 /nfs/dbraw/zinc/62/65/20/527626520.db2.gz GGKCVHWVWCEHDL-MSOLQXFVSA-N 0 0 323.383 3.402 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000359435926 527626913 /nfs/dbraw/zinc/62/69/13/527626913.db2.gz GGKCVHWVWCEHDL-ROUUACIJSA-N 0 0 323.383 3.402 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000171614660 527635344 /nfs/dbraw/zinc/63/53/44/527635344.db2.gz NDCPCYQNNNGAFP-HNNXBMFYSA-N 0 0 323.440 3.115 10 30 DGEERN C=CCN(CC=C)C(=O)c1cc(C)n(Cc2ccncc2)c1C ZINC000357911508 527638698 /nfs/dbraw/zinc/63/86/98/527638698.db2.gz DXUPZKGGUWSANU-UHFFFAOYSA-N 0 0 309.413 3.362 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000355673508 527639163 /nfs/dbraw/zinc/63/91/63/527639163.db2.gz OQMDXBRVHLPOFO-KRWDZBQOSA-N 0 0 307.390 3.093 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000356288584 527639449 /nfs/dbraw/zinc/63/94/49/527639449.db2.gz YVHQIUKXGVGBFV-IBGZPJMESA-N 0 0 310.397 3.246 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000337060427 527640784 /nfs/dbraw/zinc/64/07/84/527640784.db2.gz RSPZEOKOYGGIKW-UHFFFAOYSA-N 0 0 305.328 3.325 10 30 DGEERN C=CCN(CC=C)c1nnc([C@@H]2Cc3ccccc3O2)n1CC ZINC000358604507 527651694 /nfs/dbraw/zinc/65/16/94/527651694.db2.gz YGDFFEAEFPHVOU-INIZCTEOSA-N 0 0 310.401 3.153 10 30 DGEERN C=CCN(CCC#N)Cc1nc2cc(Br)ccc2[nH]1 ZINC000428843192 527660219 /nfs/dbraw/zinc/66/02/19/527660219.db2.gz VGQVVOMNSMWXGC-UHFFFAOYSA-N 0 0 319.206 3.227 10 30 DGEERN CC(C)CCO[C@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333608806 527773261 /nfs/dbraw/zinc/77/32/61/527773261.db2.gz WHKIKVLBTNQQDS-YJBOKZPZSA-N 0 0 304.434 3.124 10 30 DGEERN CC1(CNC(=O)Nc2ncccc2OCCCC#N)CCC1 ZINC000188711686 527969186 /nfs/dbraw/zinc/96/91/86/527969186.db2.gz GAMNNKPFJYVFNB-UHFFFAOYSA-N 0 0 302.378 3.076 10 30 DGEERN CC1(CS(=O)(=O)NCC2CCC(C#N)CC2)CCCCC1 ZINC000443227580 528004858 /nfs/dbraw/zinc/00/48/58/528004858.db2.gz QCJYEJGKHVOBOZ-UHFFFAOYSA-N 0 0 312.479 3.206 10 30 DGEERN CCCCCCCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183658678 528121217 /nfs/dbraw/zinc/12/12/17/528121217.db2.gz ZKRJIZNGVJQSQW-UHFFFAOYSA-N 0 0 311.389 3.438 10 30 DGEERN CC1CCC(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330062239 528174431 /nfs/dbraw/zinc/17/44/31/528174431.db2.gz AOPWBFBFCSPHLB-UWTIDYAISA-N 0 0 305.422 3.281 10 30 DGEERN CCOc1ccc(C(=O)CCC(=O)NC2(C#N)CCCC2)cc1 ZINC000121959457 528383345 /nfs/dbraw/zinc/38/33/45/528383345.db2.gz XHPKEMFFNIAVME-UHFFFAOYSA-N 0 0 314.385 3.001 10 30 DGEERN CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(C#N)nn1 ZINC000301955018 528388567 /nfs/dbraw/zinc/38/85/67/528388567.db2.gz KMYYTGSTUGPTDQ-UHFFFAOYSA-N 0 0 318.384 3.269 10 30 DGEERN CCCNC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000162268410 528451650 /nfs/dbraw/zinc/45/16/50/528451650.db2.gz GAXNEMIBVYHBQE-UHFFFAOYSA-N 0 0 321.380 3.259 10 30 DGEERN CC(C)C[C@H]1COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180854481 528600343 /nfs/dbraw/zinc/60/03/43/528600343.db2.gz VJQYVFDWCRIBOU-KRWDZBQOSA-N 0 0 312.413 3.129 10 30 DGEERN CC(=O)Nc1cc(NC(=O)N2CC3(C2)CCCOC3)ccc1F ZINC000329504888 528746903 /nfs/dbraw/zinc/74/69/03/528746903.db2.gz HECRXAMUJRDLFG-UHFFFAOYSA-N 0 0 321.352 3.092 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1cnn2c1CCCC2 ZINC000127364910 528749769 /nfs/dbraw/zinc/74/97/69/528749769.db2.gz ZGTGABVFCBYADW-UHFFFAOYSA-N 0 0 302.422 3.011 10 30 DGEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000441013861 528821008 /nfs/dbraw/zinc/82/10/08/528821008.db2.gz OGSDCWXGVLDDCX-BACDZXNISA-N 0 0 321.465 3.067 10 30 DGEERN CCCn1nccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000178539948 528894869 /nfs/dbraw/zinc/89/48/69/528894869.db2.gz XXBGTIXBLRZRIB-HNNXBMFYSA-N 0 0 311.389 3.460 10 30 DGEERN CCN(c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1)C(C)C ZINC000436000034 528932618 /nfs/dbraw/zinc/93/26/18/528932618.db2.gz AZJCUSOSQJQTTQ-UHFFFAOYSA-N 0 0 308.385 3.440 10 30 DGEERN CCOC[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180850023 529018401 /nfs/dbraw/zinc/01/84/01/529018401.db2.gz NJEWGNRRAXNJSS-HNNXBMFYSA-N 0 0 312.413 3.130 10 30 DGEERN CCSCC[C@@H](C)N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442741752 529182733 /nfs/dbraw/zinc/18/27/33/529182733.db2.gz WPBXGKBWOZAAEX-WLYUNCDWSA-N 0 0 311.495 3.489 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000183969873 529299746 /nfs/dbraw/zinc/29/97/46/529299746.db2.gz PHPSGJWKCXNOBO-CQSZACIVSA-N 0 0 310.357 3.036 10 30 DGEERN CC(C)[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451209602 535176228 /nfs/dbraw/zinc/17/62/28/535176228.db2.gz QJPUUPUMLSRWTC-MRXNPFEDSA-N 0 0 324.421 3.038 10 30 DGEERN C=CCCOCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000146947121 545987191 /nfs/dbraw/zinc/98/71/91/545987191.db2.gz LTRQWHPCKLWHNC-LLVKDONJSA-N 0 0 317.307 3.355 10 30 DGEERN Clc1cccc(C#CCN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000157275467 546039928 /nfs/dbraw/zinc/03/99/28/546039928.db2.gz ACHLYVNNLUMAGQ-GOSISDBHSA-N 0 0 312.800 3.240 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000183762495 546178858 /nfs/dbraw/zinc/17/88/58/546178858.db2.gz DJWUXBRMIWIDPS-IBGZPJMESA-N 0 0 324.424 3.132 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC000249136884 546325035 /nfs/dbraw/zinc/32/50/35/546325035.db2.gz VPGURWZKRROHDA-HUUCEWRRSA-N 0 0 304.409 3.465 10 30 DGEERN O=C(NCC1CC(c2ccccc2)C1)N[C@H]1CCCC[C@H]1CO ZINC000328726934 546480676 /nfs/dbraw/zinc/48/06/76/546480676.db2.gz ZYJZLJKKDNXIEY-STCOUPBVSA-N 0 0 316.445 3.235 10 30 DGEERN C[C@@H]1CC(C(=O)Nc2ccc(-c3cncnc3)cn2)C[C@@H](C)O1 ZINC000328766294 546481286 /nfs/dbraw/zinc/48/12/86/546481286.db2.gz FFNGIHMHUDKYNK-VXGBXAGGSA-N 0 0 312.373 3.330 10 30 DGEERN Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc3c(c1)COC3)CCC2 ZINC000328806850 546481368 /nfs/dbraw/zinc/48/13/68/546481368.db2.gz MAKPGKUJCXDHCY-CQSZACIVSA-N 0 0 311.385 3.104 10 30 DGEERN C[C@H](NC(=O)[C@@H]1CCc2n[nH]nc2C1)c1ccc(Cl)s1 ZINC000328796752 546481601 /nfs/dbraw/zinc/48/16/01/546481601.db2.gz VCZDZLALQZUTKF-JGVFFNPUSA-N 0 0 310.810 3.342 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1(C)CCCC1)C2 ZINC000329308967 546485233 /nfs/dbraw/zinc/48/52/33/546485233.db2.gz ZBAJHMKCTLJXIM-ZDUSSCGKSA-N 0 0 318.465 3.332 10 30 DGEERN CC(C)C1(c2ccccc2)CN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000334117762 546516787 /nfs/dbraw/zinc/51/67/87/546516787.db2.gz IPVFUJRDZVLHHB-WBVHZDCISA-N 0 0 311.429 3.298 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCCCC[C@H]2CCO)cc1 ZINC000356738669 546693202 /nfs/dbraw/zinc/69/32/02/546693202.db2.gz QTSONRQSXQITSO-INIZCTEOSA-N 0 0 303.402 3.019 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC000453451509 546860942 /nfs/dbraw/zinc/86/09/42/546860942.db2.gz KCWPKDZDAQFBGE-ARFHVFGLSA-N 0 0 318.465 3.373 10 30 DGEERN CC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000004097886 560195135 /nfs/dbraw/zinc/19/51/35/560195135.db2.gz RGROGZCBGZBCAG-XNFNUYLZSA-N 0 0 318.457 3.408 10 30 in-vitro DGEERN C#CCOc1cccc(COC(=O)c2ccc(F)cc2F)c1 ZINC000730403342 574528708 /nfs/dbraw/zinc/52/87/08/574528708.db2.gz FJVIIXSRMXYWAS-UHFFFAOYSA-N 0 0 302.276 3.334 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cc(-c3ccoc3)[nH]n2)c1 ZINC000730403403 574528712 /nfs/dbraw/zinc/52/87/12/574528712.db2.gz ILOBKVPRQVHLTN-UHFFFAOYSA-N 0 0 322.320 3.039 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2ccccc2C)c1 ZINC000730403363 574528744 /nfs/dbraw/zinc/52/87/44/574528744.db2.gz GPYYOWSCZKYRAX-UHFFFAOYSA-N 0 0 310.349 3.129 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@H](C)OCc2ccccc2)c1 ZINC000730402697 574528773 /nfs/dbraw/zinc/52/87/73/574528773.db2.gz HIEGLNGFQPSKDF-INIZCTEOSA-N 0 0 324.376 3.347 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)COC1CCCC1 ZINC000730424185 574529322 /nfs/dbraw/zinc/52/93/22/574529322.db2.gz SBLFEHGOCQIXRU-CQSZACIVSA-N 0 0 302.370 3.262 10 30 DGEERN C=C(C)CNC(=S)N1CCC(OC2CCC(C)CC2)CC1 ZINC000730950328 574539241 /nfs/dbraw/zinc/53/92/41/574539241.db2.gz IPOGQJUSNBRCKY-UHFFFAOYSA-N 0 0 310.507 3.497 10 30 DGEERN CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1C ZINC000731314049 574546834 /nfs/dbraw/zinc/54/68/34/574546834.db2.gz XQSBRQCMGNEKDJ-UHFFFAOYSA-N 0 0 320.389 3.374 10 30 DGEERN C#Cc1ccc(C(=O)N(CC)[C@@H](C)Cc2ccc(OC)cc2)nc1 ZINC000731335070 574547261 /nfs/dbraw/zinc/54/72/61/574547261.db2.gz LAINAPZRRQARLV-HNNXBMFYSA-N 0 0 322.408 3.165 10 30 DGEERN C#CCCNC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000741566172 574566753 /nfs/dbraw/zinc/56/67/53/574566753.db2.gz SQILQKLCHQMCCY-UHFFFAOYSA-N 0 0 311.385 3.078 10 30 DGEERN COC(=O)c1ccc2[nH]cc(CN=Nc3ccc(C)cn3)c2c1 ZINC000731926473 574562345 /nfs/dbraw/zinc/56/23/45/574562345.db2.gz FIBPGWAGEAZTPC-UHFFFAOYSA-N 0 0 308.341 3.104 10 30 DGEERN C=C(C)CNC(=S)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000741506544 574562418 /nfs/dbraw/zinc/56/24/18/574562418.db2.gz HRBJOOOZRMHAIW-SWLSCSKDSA-N 0 0 308.422 3.038 10 30 DGEERN C=C(Br)COC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000732356897 574572119 /nfs/dbraw/zinc/57/21/19/574572119.db2.gz OVQULRYQIYZYHC-CQSZACIVSA-N 0 0 324.218 3.103 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)C2CCSCC2)c1 ZINC000733053304 574593433 /nfs/dbraw/zinc/59/34/33/574593433.db2.gz FCWUWMRFHFTVDF-ZDUSSCGKSA-N 0 0 304.411 3.446 10 30 DGEERN C#CCCNc1cnn(-c2ccc(C)c(Cl)c2)c(=O)c1Cl ZINC000733302750 574612398 /nfs/dbraw/zinc/61/23/98/574612398.db2.gz NWVHGIAUGYIEKV-UHFFFAOYSA-N 0 0 322.195 3.283 10 30 DGEERN C#CCCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000733246498 574609740 /nfs/dbraw/zinc/60/97/40/574609740.db2.gz KJRGJEXPAKNVNN-UHFFFAOYSA-N 0 0 310.831 3.207 10 30 DGEERN C#CCCNC(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000733344233 574617084 /nfs/dbraw/zinc/61/70/84/574617084.db2.gz GKMOKBTURAOZJH-UHFFFAOYSA-N 0 0 306.409 3.163 10 30 DGEERN C#CCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000733345437 574617190 /nfs/dbraw/zinc/61/71/90/574617190.db2.gz MQZBYZXFGHFNCG-UHFFFAOYSA-N 0 0 313.445 3.278 10 30 DGEERN C#CCCNC(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000733337110 574617350 /nfs/dbraw/zinc/61/73/50/574617350.db2.gz HHBFUFQIBXHHCT-GFCCVEGCSA-N 0 0 300.358 3.215 10 30 DGEERN C#CCCNC(=O)Nc1nnc([C@H](CC)c2ccccc2)s1 ZINC000733632781 574632704 /nfs/dbraw/zinc/63/27/04/574632704.db2.gz NBHVAIDLOUQRNF-CYBMUJFWSA-N 0 0 314.414 3.225 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1F)c1ccccn1 ZINC000733691523 574633982 /nfs/dbraw/zinc/63/39/82/574633982.db2.gz VWCJKKZOKWZWNQ-CXAGYDPISA-N 0 0 313.328 3.296 10 30 DGEERN C=C(COC(=O)c1c[nH]c2cc(Cl)ccc21)C(=O)OCC ZINC000734029482 574647418 /nfs/dbraw/zinc/64/74/18/574647418.db2.gz SFCWVNDBCNYZSS-UHFFFAOYSA-N 0 0 307.733 3.097 10 30 DGEERN C=C(COC(=O)c1csc(-c2cccs2)n1)C(=O)OCC ZINC000734027355 574647626 /nfs/dbraw/zinc/64/76/26/574647626.db2.gz KUPJTFUJGKKQJV-UHFFFAOYSA-N 0 0 323.395 3.148 10 30 DGEERN C=C(COC(=O)c1c(C)oc2ccc(OC)cc21)C(=O)OCC ZINC000734030316 574647870 /nfs/dbraw/zinc/64/78/70/574647870.db2.gz YWRZEKKDXFWQKU-UHFFFAOYSA-N 0 0 318.325 3.026 10 30 DGEERN C=C(COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)OCC ZINC000734029591 574647920 /nfs/dbraw/zinc/64/79/20/574647920.db2.gz UFSJANMMFNQHHE-KGLIPLIRSA-N 0 0 308.761 3.106 10 30 DGEERN C=C(COC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)OCC ZINC000734022898 574648427 /nfs/dbraw/zinc/64/84/27/574648427.db2.gz MPCHFQVDUAYAFM-JTQLQIEISA-N 0 0 308.399 3.149 10 30 DGEERN C#CCCNC(=O)N(CCc1ccc(OC)cc1)CC(C)(C)C ZINC000734531611 574666807 /nfs/dbraw/zinc/66/68/07/574666807.db2.gz OMCIITVKQLBUGO-UHFFFAOYSA-N 0 0 316.445 3.319 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1n[nH]c(C)c1C ZINC000734705655 574674166 /nfs/dbraw/zinc/67/41/66/574674166.db2.gz MNXNJGLKAKSDRG-UHFFFAOYSA-N 0 0 300.358 3.373 10 30 DGEERN Cc1ncc(C(=O)OCc2cc(Cl)ccc2OCC#N)s1 ZINC000735346931 574699324 /nfs/dbraw/zinc/69/93/24/574699324.db2.gz QYDVRSAILYIUPG-UHFFFAOYSA-N 0 0 322.773 3.364 10 30 DGEERN N#Cc1ccc(COC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000735729824 574713261 /nfs/dbraw/zinc/71/32/61/574713261.db2.gz GOWJQGKJANSYTP-UHFFFAOYSA-N 0 0 317.291 3.446 10 30 DGEERN CC(CCC1CCCC1)=NN=C1NS(=O)(=O)c2ccccc21 ZINC000740760975 574941241 /nfs/dbraw/zinc/94/12/41/574941241.db2.gz SJHLYFXCZLIJMT-UHFFFAOYSA-N 0 0 319.430 3.071 10 30 DGEERN C#CCCNC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000741398051 574957120 /nfs/dbraw/zinc/95/71/20/574957120.db2.gz YPBDCCGSGKXIRV-UHFFFAOYSA-N 0 0 322.290 3.036 10 30 DGEERN C(=NNCc1cccc2cccnc21)c1c[nH]c2ncccc12 ZINC000741760839 574969096 /nfs/dbraw/zinc/96/90/96/574969096.db2.gz DZGRKDPULNOESU-UHFFFAOYSA-N 0 0 301.353 3.235 10 30 DGEERN C=C(Br)CN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741812391 574972518 /nfs/dbraw/zinc/97/25/18/574972518.db2.gz ZUXBZDMVAKQIJJ-UHFFFAOYSA-N 0 0 324.262 3.495 10 30 DGEERN CCCCc1noc([C@@H](C)ON=C(C)Cn2nc(C)cc2C)n1 ZINC000742354616 574991577 /nfs/dbraw/zinc/99/15/77/574991577.db2.gz RJLSVEQICDXIBY-CQSZACIVSA-N 0 0 319.409 3.379 10 30 DGEERN C#CCOc1cccc(OCCOCCOc2ccccc2)c1 ZINC000742358635 574992155 /nfs/dbraw/zinc/99/21/55/574992155.db2.gz GHAHFFPHDCJBOU-UHFFFAOYSA-N 0 0 312.365 3.173 10 30 DGEERN C=C(C)CNC(=S)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000743008214 575029236 /nfs/dbraw/zinc/02/92/36/575029236.db2.gz GBBYHGDXLOZQAR-NSHDSACASA-N 0 0 313.492 3.123 10 30 DGEERN c1ccc(CCCNN=C2CCOc3cc4c(cc32)OCO4)cc1 ZINC000729145808 575219895 /nfs/dbraw/zinc/21/98/95/575219895.db2.gz FMIBINSLLJJRBQ-UHFFFAOYSA-N 0 0 324.380 3.124 10 30 DGEERN Cc1ccc(C)c(NC(=S)NN=Cc2cnn3ccccc23)c1 ZINC000729634049 575257724 /nfs/dbraw/zinc/25/77/24/575257724.db2.gz XNQDZSNWPDWOBS-UHFFFAOYSA-N 0 0 323.425 3.272 10 30 DGEERN C=C(C)COC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000729773132 575263063 /nfs/dbraw/zinc/26/30/63/575263063.db2.gz VRDRFRBFFQNOOB-UHFFFAOYSA-N 0 0 311.337 3.311 10 30 DGEERN C#Cc1cccc(NC(=S)NCc2ccc(C#N)cc2F)c1 ZINC000729821906 575264206 /nfs/dbraw/zinc/26/42/06/575264206.db2.gz BUCMJPMASKQSDG-UHFFFAOYSA-N 0 0 309.369 3.165 10 30 DGEERN C#CCN(C(=O)NCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000729880047 575265015 /nfs/dbraw/zinc/26/50/15/575265015.db2.gz VNNPSQQOICGVGS-UHFFFAOYSA-N 0 0 313.376 3.175 10 30 DGEERN C=C(Br)CNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000726238165 576014336 /nfs/dbraw/zinc/01/43/36/576014336.db2.gz FAXBYAOUKQYIAX-GFCCVEGCSA-N 0 0 313.170 3.021 10 30 DGEERN C=CCN(C(=O)N[C@@H](c1nnc2ccccn21)C(C)C)C(C)C ZINC000726282879 576015273 /nfs/dbraw/zinc/01/52/73/576015273.db2.gz UIBXMXANWWWOCG-OAHLLOKOSA-N 0 0 315.421 3.032 10 30 DGEERN COc1cc(C(C)N=Nc2ccc(C)cn2)cc(OC)c1OC ZINC000727259609 576115994 /nfs/dbraw/zinc/11/59/94/576115994.db2.gz IDQBYCAYVKOIOL-UHFFFAOYSA-N 0 0 315.373 3.252 10 30 DGEERN C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000728509119 576186472 /nfs/dbraw/zinc/18/64/72/576186472.db2.gz QGEYQGCQAWTLMP-UHFFFAOYSA-N 0 0 317.385 3.331 10 30 DGEERN C#Cc1cccc(N(C)CC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000728574318 576189147 /nfs/dbraw/zinc/18/91/47/576189147.db2.gz VPMNLKIGVACIKZ-HXUWFJFHSA-N 0 0 318.420 3.298 10 30 DGEERN C#Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nc1 ZINC000728805213 576207108 /nfs/dbraw/zinc/20/71/08/576207108.db2.gz SIVBYOOQFBOHMX-AWEZNQCLSA-N 0 0 304.393 3.433 10 30 DGEERN C=CCNc1nnc(SCOC(=O)c2ccccc2)s1 ZINC000154300943 620659259 /nfs/dbraw/zinc/65/92/59/620659259.db2.gz KUXIPAINZYXPGC-UHFFFAOYSA-N 0 0 307.400 3.043 10 30 DGEERN Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435438359 618759157 /nfs/dbraw/zinc/75/91/57/618759157.db2.gz PDFHSCMDNUAAJX-GFCCVEGCSA-N 0 0 320.439 3.010 10 30 DGEERN C#Cc1ccc(C(=O)OCc2cc(F)cc3cccnc32)nc1 ZINC000729007473 619098547 /nfs/dbraw/zinc/09/85/47/619098547.db2.gz WSMXRGQKDTVDHJ-UHFFFAOYSA-N 0 0 306.296 3.107 10 30 DGEERN COc1ccc(CNCc2ccn(C3CCCC3)n2)cc1C#N ZINC000129033772 625392577 /nfs/dbraw/zinc/39/25/77/625392577.db2.gz ZWTWLQMUWMOXRC-UHFFFAOYSA-N 0 0 310.401 3.168 10 30 DGEERN C#C[C@@H](OC(=O)CCSc1ccc(OC)c(OC)c1)C1CC1 ZINC000152596911 620513988 /nfs/dbraw/zinc/51/39/88/620513988.db2.gz KYPZKDSCNUQMJS-CQSZACIVSA-N 0 0 320.410 3.141 10 30 DGEERN O=C(/C=C/c1cccc(OCC(F)(F)F)c1)c1cnccn1 ZINC000115962393 621169127 /nfs/dbraw/zinc/16/91/27/621169127.db2.gz JYHXGFVPBUOFCS-SNAWJCMRSA-N 0 0 308.259 3.314 10 30 DGEERN C#Cc1cccc(N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000103146816 621265891 /nfs/dbraw/zinc/26/58/91/621265891.db2.gz WJXKVUQLHNMJTN-CQSZACIVSA-N 0 0 310.372 3.121 10 30 DGEERN C#CCCCCC(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000119976287 621757703 /nfs/dbraw/zinc/75/77/03/621757703.db2.gz XUNYDKKENVTHDW-UHFFFAOYSA-N 0 0 308.385 3.481 10 30 DGEERN COc1cccc2c1OC/C(=C\c1ccc(O)c(F)c1)C2=O ZINC000121088495 622128775 /nfs/dbraw/zinc/12/87/75/622128775.db2.gz GOEFTYMDXKBBRF-YRNVUSSQSA-N 0 0 300.285 3.199 10 30 DGEERN C#CCN(C(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 ZINC000121633458 622167463 /nfs/dbraw/zinc/16/74/63/622167463.db2.gz ADEAXOCMVHQDAU-UHFFFAOYSA-N 0 0 313.445 3.148 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000122365855 622307487 /nfs/dbraw/zinc/30/74/87/622307487.db2.gz MNRSUDPXIUTVPC-WCQYABFASA-N 0 0 324.174 3.016 10 30 DGEERN C#CCN(C(=O)NC[C@@H](C)Oc1ccccc1F)C1CCCC1 ZINC000123026012 622447368 /nfs/dbraw/zinc/44/73/68/622447368.db2.gz FNCIUZJHXHYJDF-CQSZACIVSA-N 0 0 318.392 3.180 10 30 DGEERN N#CCc1ccc(OS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000129258503 625569809 /nfs/dbraw/zinc/56/98/09/625569809.db2.gz HRXMHCPCQYJQAU-UHFFFAOYSA-N 0 0 324.361 3.069 10 30 DGEERN C#CC[C@H](OC(=O)CC1CCC(OC)CC1)c1ccccn1 ZINC000123503021 622553060 /nfs/dbraw/zinc/55/30/60/622553060.db2.gz LCHXVRFWOQBDSW-DQPZFDDXSA-N 0 0 301.386 3.285 10 30 DGEERN N#CC1(COC(=O)[C@@H]2CCCN2c2nccs2)CCCCC1 ZINC000124932929 623257986 /nfs/dbraw/zinc/25/79/86/623257986.db2.gz LFKOTYGELUDIEQ-ZDUSSCGKSA-N 0 0 319.430 3.129 10 30 DGEERN C=C(Br)CN[C@@H](C)c1ccc(OC)cc1OC ZINC000125130032 623335887 /nfs/dbraw/zinc/33/58/87/623335887.db2.gz QMQAVELZOMBBKX-JTQLQIEISA-N 0 0 300.196 3.263 10 30 DGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1ccc(Cl)cc1 ZINC000125229976 623399920 /nfs/dbraw/zinc/39/99/20/623399920.db2.gz GUECMBXAGJFKLS-SNVBAGLBSA-N 0 0 301.777 3.389 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Oc1cccc(NC(=O)C2CC2)c1 ZINC000129485477 625658273 /nfs/dbraw/zinc/65/82/73/625658273.db2.gz ZZARVRLDZANUCW-UHFFFAOYSA-N 0 0 320.348 3.434 10 30 DGEERN CCCN(CC)c1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cn1 ZINC000127170348 624299466 /nfs/dbraw/zinc/29/94/66/624299466.db2.gz KZYSENXVQJGHQK-CYBMUJFWSA-N 0 0 303.406 3.413 10 30 DGEERN C=CCc1ccccc1OC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000130038475 625806918 /nfs/dbraw/zinc/80/69/18/625806918.db2.gz GUJHTSKWRHTVKK-UHFFFAOYSA-N 0 0 322.407 3.099 10 30 DGEERN C[C@H](OC(=O)c1cc(N2CCCC2=O)ccc1F)C(C)(C)C#N ZINC000130761123 625900643 /nfs/dbraw/zinc/90/06/43/625900643.db2.gz YIBJLAJXXZVJOA-NSHDSACASA-N 0 0 318.348 3.048 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)C(C)(C)C#N ZINC000131080842 625942596 /nfs/dbraw/zinc/94/25/96/625942596.db2.gz ZASBQWGYTKMAOJ-CQSZACIVSA-N 0 0 305.422 3.180 10 30 DGEERN COC[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000103640366 626395092 /nfs/dbraw/zinc/39/50/92/626395092.db2.gz RSRDMXVBQPHCMP-SCZZXKLOSA-N 0 0 308.790 3.408 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1cc(F)cc(Br)c1 ZINC000131516167 626646825 /nfs/dbraw/zinc/64/68/25/626646825.db2.gz XRBIUWJZYDGEJR-VIFPVBQESA-N 0 0 317.154 3.475 10 30 DGEERN C=CCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000131631917 626660843 /nfs/dbraw/zinc/66/08/43/626660843.db2.gz MQTLCZLWPOQLKY-ZIAGYGMSSA-N 0 0 310.438 3.152 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc(Cl)n1 ZINC000131721619 626674409 /nfs/dbraw/zinc/67/44/09/626674409.db2.gz PYPFJBSXZIODMI-UHFFFAOYSA-N 0 0 309.760 3.222 10 30 DGEERN C#Cc1cccc(NC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000132473141 626720433 /nfs/dbraw/zinc/72/04/33/626720433.db2.gz BTKNEYNZTUHZAK-UHFFFAOYSA-N 0 0 320.270 3.256 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Sc1ccccn1)c1ccccn1 ZINC000135065581 626904216 /nfs/dbraw/zinc/90/42/16/626904216.db2.gz JWWBDDHCHQAVDX-DZGCQCFKSA-N 0 0 312.394 3.265 10 30 DGEERN C=C(Br)CN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121544998 630674730 /nfs/dbraw/zinc/67/47/30/630674730.db2.gz PAMKMLQPWMDKIP-NSHDSACASA-N 0 0 304.228 3.091 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cccc(NC(C)=O)c2)c1 ZINC000107021185 631503662 /nfs/dbraw/zinc/50/36/62/631503662.db2.gz IPPHADHOWHZWTO-UHFFFAOYSA-N 0 0 323.348 3.014 10 30 DGEERN C#CCOc1ccc(NC(=O)c2cccc3ncccc32)cc1 ZINC000108185541 631823454 /nfs/dbraw/zinc/82/34/54/631823454.db2.gz YKXUQSSUHITCRV-UHFFFAOYSA-N 0 0 302.333 3.499 10 30 DGEERN Cc1cccc(CCCOC(=O)Cc2ccc(OCC#N)cc2)n1 ZINC000110163716 632480883 /nfs/dbraw/zinc/48/08/83/632480883.db2.gz ZGTBVCMJHCEXSK-UHFFFAOYSA-N 0 0 324.380 3.011 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110274035 632512562 /nfs/dbraw/zinc/51/25/62/632512562.db2.gz UKOLDTFEHHFKEF-CQSZACIVSA-N 0 0 324.380 3.478 10 30 DGEERN Cc1nc2cc(NC(=O)Cc3ccc(OCC#N)cc3)ccc2o1 ZINC000110611617 632604787 /nfs/dbraw/zinc/60/47/87/632604787.db2.gz KAINTYCGOJJAHV-UHFFFAOYSA-N 0 0 321.336 3.220 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC000184924600 660194772 /nfs/dbraw/zinc/19/47/72/660194772.db2.gz XXPRGVNVNZPHHH-RBJHHQRMSA-N 0 0 302.330 3.480 10 30 DGEERN C#CCCCCCOC(=O)CCc1nc(C2CCCC2)no1 ZINC000185337389 660215649 /nfs/dbraw/zinc/21/56/49/660215649.db2.gz KVTVZAJQFGTILV-UHFFFAOYSA-N 0 0 304.390 3.397 10 30 DGEERN CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173812903 659402447 /nfs/dbraw/zinc/40/24/47/659402447.db2.gz FNJBYNGPMDECHG-QZTJIDSGSA-N 0 0 324.509 3.306 10 30 DGEERN C#CC(C)(C)NC(=O)/C=C/c1cc(Br)ccc1F ZINC000700589623 660629873 /nfs/dbraw/zinc/62/98/73/660629873.db2.gz NOLHXVPWFBQADP-VMPITWQZSA-N 0 0 310.166 3.129 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2ccc(C#N)cc2F)C1 ZINC000711456793 660953979 /nfs/dbraw/zinc/95/39/79/660953979.db2.gz RWHLLOQHNCELIE-UHFFFAOYSA-N 0 0 319.380 3.413 10 30 DGEERN C#CCOc1ccccc1NC(=O)c1sccc1COC ZINC000187223519 660970023 /nfs/dbraw/zinc/97/00/23/660970023.db2.gz VBCQUYJMJRGPQG-UHFFFAOYSA-N 0 0 301.367 3.159 10 30 DGEERN C#CCOc1ccccc1NC(=O)c1cccc2ncccc21 ZINC000187226508 660975062 /nfs/dbraw/zinc/97/50/62/660975062.db2.gz RHDTXKSVBCZHBE-UHFFFAOYSA-N 0 0 302.333 3.499 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1c(C)nn(CCC)c1C ZINC000187507249 655550368 /nfs/dbraw/zinc/55/03/68/655550368.db2.gz IEWOZSFKJUXAOD-QGZVFWFLSA-N 0 0 308.422 3.296 10 30 DGEERN C=C[C@H](C)OC(=O)CSc1nncn1-c1ccccc1CC ZINC000187512904 655550491 /nfs/dbraw/zinc/55/04/91/655550491.db2.gz ZAZIDVIFZODNPV-LBPRGKRZSA-N 0 0 317.414 3.040 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000187560786 655551467 /nfs/dbraw/zinc/55/14/67/655551467.db2.gz YLAMLXPSZBCNKW-INIZCTEOSA-N 0 0 307.346 3.289 10 30 DGEERN CCC(C)(C)NC(=O)CON=C(C)c1cc2ccccc2o1 ZINC000254998922 655556919 /nfs/dbraw/zinc/55/69/19/655556919.db2.gz MDAUUQWADAVVQJ-UHFFFAOYSA-N 0 0 302.374 3.478 10 30 DGEERN Cc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C)s1 ZINC000120943663 655589919 /nfs/dbraw/zinc/58/99/19/655589919.db2.gz FEKPWDIFDFTTBY-ZDUSSCGKSA-N 0 0 309.394 3.362 10 30 DGEERN C#CCCS(=O)(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000288808016 655592018 /nfs/dbraw/zinc/59/20/18/655592018.db2.gz JBFFIUVGPBELOQ-UHFFFAOYSA-N 0 0 305.443 3.174 10 30 DGEERN CCN(CCc1nccs1)C(=O)/C=C\c1ccccc1C#N ZINC000255112959 655600588 /nfs/dbraw/zinc/60/05/88/655600588.db2.gz PVVJJLCDQPYIAI-FPLPWBNLSA-N 0 0 311.410 3.119 10 30 DGEERN C#C[C@@H](OC(=O)/C=C\c1ccc(OCC=C)c(OC)c1)C1CC1 ZINC000255367514 655709820 /nfs/dbraw/zinc/70/98/20/655709820.db2.gz NQENPOULDYYPBW-MRDWYFFCSA-N 0 0 312.365 3.228 10 30 DGEERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@@H](C#N)C1CC1 ZINC000176076904 655731937 /nfs/dbraw/zinc/73/19/37/655731937.db2.gz ZVFKVCIHNRREJD-ZANVPECISA-N 0 0 313.275 3.318 10 30 DGEERN C[C@@H](C(=O)O[C@@H](C#N)C1CC1)c1ccc(Br)s1 ZINC000176066954 655738053 /nfs/dbraw/zinc/73/80/53/655738053.db2.gz HOGVFCUOVDCWCK-APPZFPTMSA-N 0 0 314.204 3.459 10 30 DGEERN N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176095258 655739673 /nfs/dbraw/zinc/73/96/73/655739673.db2.gz NWADXOXGFNJTEM-UTUOFQBUSA-N 0 0 320.751 3.173 10 30 DGEERN Cc1ccccc1SCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000127884662 655783423 /nfs/dbraw/zinc/78/34/23/655783423.db2.gz GCVBHHSBZMXUJM-OAHLLOKOSA-N 0 0 324.405 3.435 10 30 DGEERN C#CCOc1ccccc1NC(=O)NCc1csc(CC)n1 ZINC000188052193 655793856 /nfs/dbraw/zinc/79/38/56/655793856.db2.gz UEECUZAXCMJGFB-UHFFFAOYSA-N 0 0 315.398 3.039 10 30 DGEERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161402969 655794157 /nfs/dbraw/zinc/79/41/57/655794157.db2.gz ISMZWEZRZVXSLI-LBPRGKRZSA-N 0 0 310.353 3.072 10 30 DGEERN C=CCCOCCNC(=O)c1sccc1SC(F)F ZINC000155266345 655808737 /nfs/dbraw/zinc/80/87/37/655808737.db2.gz JBTJBLKKMRDLJX-UHFFFAOYSA-N 0 0 307.387 3.385 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000187584823 655810004 /nfs/dbraw/zinc/81/00/04/655810004.db2.gz IWKOLPSRWNNPQT-QAPCUYQASA-N 0 0 319.376 3.280 10 30 DGEERN CCCCCCCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000158854838 655854815 /nfs/dbraw/zinc/85/48/15/655854815.db2.gz YBWFRSMKJNSCGW-HZPDHXFCSA-N 0 0 323.433 3.291 10 30 DGEERN CC(C)n1cc(Br)cc1C(=O)O[C@H](C#N)C1CC1 ZINC000177025955 655887382 /nfs/dbraw/zinc/88/73/82/655887382.db2.gz JUZUDCPPVTVWPS-GFCCVEGCSA-N 0 0 311.179 3.290 10 30 DGEERN N#CCCN(c1ccccc1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255754830 655893449 /nfs/dbraw/zinc/89/34/49/655893449.db2.gz KORBZAIDVUPHSI-QINSGFPZSA-N 0 0 312.394 3.407 10 30 DGEERN CN(c1cccc(C#N)c1)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255766542 655894364 /nfs/dbraw/zinc/89/43/64/655894364.db2.gz DKDBKRUVYXXXKN-KTKRTIGZSA-N 0 0 316.357 3.134 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3ccc4c(c3)CCO4)n2c1 ZINC000255840282 655911075 /nfs/dbraw/zinc/91/10/75/655911075.db2.gz QJAXKVLMMWJFHR-ARJAWSKDSA-N 0 0 315.332 3.037 10 30 DGEERN C=CCc1cc(C(=O)OC[C@]2(C)CCCO2)cc(OC)c1OC ZINC000177230832 655917717 /nfs/dbraw/zinc/91/77/17/655917717.db2.gz VVXGLFGGLDTVQT-SFHVURJKSA-N 0 0 320.385 3.158 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)C(C)C ZINC000177719958 655943248 /nfs/dbraw/zinc/94/32/48/655943248.db2.gz DUMRSMCVPQGFDP-GFCCVEGCSA-N 0 0 318.398 3.322 10 30 DGEERN C#CC[C@H](OC(=O)C[C@H](C)NC(=O)C1CCCCC1)C(C)C ZINC000177741402 655944418 /nfs/dbraw/zinc/94/44/18/655944418.db2.gz APJBMZBJXXKGTM-HOCLYGCPSA-N 0 0 307.434 3.053 10 30 DGEERN c1cc(-c2noc(CON=C3CCOc4ccccc43)n2)co1 ZINC000255883005 655947801 /nfs/dbraw/zinc/94/78/01/655947801.db2.gz QBSPWNPUVJDFFC-UHFFFAOYSA-N 0 0 311.297 3.033 10 30 DGEERN O=C(/C=C\c1c(Cl)nc2sccn12)c1cc(O)cc(O)c1 ZINC000255884955 655948872 /nfs/dbraw/zinc/94/88/72/655948872.db2.gz ATHIQPFWKAYRMT-UPHRSURJSA-N 0 0 320.757 3.357 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cccc3nccn31)C2=O ZINC000180312612 655963680 /nfs/dbraw/zinc/96/36/80/655963680.db2.gz OWOVDGTXQNBCDQ-ZRDIBKRKSA-N 0 0 306.321 3.002 10 30 DGEERN N#CCSCC(=O)OCCCc1c(F)cccc1Cl ZINC000066742049 656021750 /nfs/dbraw/zinc/02/17/50/656021750.db2.gz CKIOGAPQONPLNW-UHFFFAOYSA-N 0 0 301.770 3.212 10 30 DGEERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Nc1ccc(F)cc1C#N ZINC000309716542 656044873 /nfs/dbraw/zinc/04/48/73/656044873.db2.gz KZUQGUQQKFERRT-GHMZBOCLSA-N 0 0 307.369 3.411 10 30 DGEERN C[C@]1(C(=O)OCC2(C#N)CCOCC2)CCCc2ccccc21 ZINC000183978596 656116231 /nfs/dbraw/zinc/11/62/31/656116231.db2.gz JVFBBSCKVDQDJJ-SFHVURJKSA-N 0 0 313.397 3.144 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000187613297 656139221 /nfs/dbraw/zinc/13/92/21/656139221.db2.gz VQEUHVSCPOKEMY-AEFFLSMTSA-N 0 0 301.386 3.141 10 30 DGEERN Cc1c(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)ccn1C ZINC000194909968 656206355 /nfs/dbraw/zinc/20/63/55/656206355.db2.gz XFRQBTZFLFONND-CQSZACIVSA-N 0 0 300.333 3.012 10 30 DGEERN CC(C)C[C@@H](C(=O)OCC(C)(C)CCC#N)N1CCCCC1=O ZINC000195039804 656208197 /nfs/dbraw/zinc/20/81/97/656208197.db2.gz ZQNYGYGPESGLFH-HNNXBMFYSA-N 0 0 322.449 3.287 10 30 DGEERN COC(=O)c1ccc(CCC(=O)OCC(C)(C)CCC#N)cc1 ZINC000195067147 656208444 /nfs/dbraw/zinc/20/84/44/656208444.db2.gz IHHFDHQIWNIHSZ-UHFFFAOYSA-N 0 0 317.385 3.279 10 30 DGEERN CCCCC1CCC(C(=O)[C@H](C#N)C(=O)N2CCCC2)CC1 ZINC000124700861 656252123 /nfs/dbraw/zinc/25/21/23/656252123.db2.gz WNQJLAPGHTWNEF-GPANFISMSA-N 0 0 304.434 3.314 10 30 DGEERN C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc2c(c1)OCCO2 ZINC000066882967 656301056 /nfs/dbraw/zinc/30/10/56/656301056.db2.gz HUOQHZQKGIWNBN-CYBMUJFWSA-N 0 0 323.348 3.442 10 30 DGEERN C[C@H](OC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000066883705 656301467 /nfs/dbraw/zinc/30/14/67/656301467.db2.gz CUEQOVAWPBXOBX-LBPRGKRZSA-N 0 0 309.321 3.247 10 30 DGEERN C=CCC1(O)CCN(Cc2csc(Br)c2)CC1 ZINC000717421312 661264440 /nfs/dbraw/zinc/26/44/40/661264440.db2.gz AZPAIRISXSYLGB-UHFFFAOYSA-N 0 0 316.264 3.414 10 30 DGEERN N#Cc1sc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)nc1Cl ZINC000722379933 656625846 /nfs/dbraw/zinc/62/58/46/656625846.db2.gz NFTLDXQPCDUJAG-CAHLUQPWSA-N 0 0 311.716 3.190 10 30 DGEERN O=C(N[C@@H]1COc2ccccc21)c1coc(C2CCOCC2)n1 ZINC000328823371 656889956 /nfs/dbraw/zinc/88/99/56/656889956.db2.gz RVLVRDHQQGAIML-CYBMUJFWSA-N 0 0 314.341 3.007 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2ncon2)cc1 ZINC000191127796 657370752 /nfs/dbraw/zinc/37/07/52/657370752.db2.gz NKXMYXOXLLVNMU-KRWDZBQOSA-N 0 0 316.357 3.122 10 30 DGEERN CC#CCCCCOC(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000183961788 657383079 /nfs/dbraw/zinc/38/30/79/657383079.db2.gz MOXWYOTYOCXMBY-UHFFFAOYSA-N 0 0 301.386 3.129 10 30 DGEERN CC#CCCCCOC(=O)c1ccc(OC)c(OC)c1OC ZINC000183938041 657383502 /nfs/dbraw/zinc/38/35/02/657383502.db2.gz RPXAOMNHYJQJIR-UHFFFAOYSA-N 0 0 306.358 3.063 10 30 DGEERN CC#CCCCCOC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000183941162 657383698 /nfs/dbraw/zinc/38/36/98/657383698.db2.gz LWBBNZUQKKAOAD-UHFFFAOYSA-N 0 0 315.291 3.373 10 30 DGEERN Cc1cccc(C/N=C/c2cc(Br)ccc2O)n1 ZINC000126902666 657407205 /nfs/dbraw/zinc/40/72/05/657407205.db2.gz VFUQSQMMWVULFG-LZYBPNLTSA-N 0 0 305.175 3.477 10 30 DGEERN N#C[C@@H](COC(=O)CCc1ccccn1)Cc1ccc(F)cc1 ZINC000179038157 657432162 /nfs/dbraw/zinc/43/21/62/657432162.db2.gz YNLMIZGROOPZBR-HNNXBMFYSA-N 0 0 312.344 3.079 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000303906046 657578505 /nfs/dbraw/zinc/57/85/05/657578505.db2.gz QPFMWKYCJSBTMA-LBPRGKRZSA-N 0 0 315.319 3.468 10 30 DGEERN Cc1cc(NCCC2SCCS2)c(C#N)cc1[N+](=O)[O-] ZINC000721053264 658415705 /nfs/dbraw/zinc/41/57/05/658415705.db2.gz UINOMEWBBZDPQY-UHFFFAOYSA-N 0 0 309.416 3.383 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000067801024 658745411 /nfs/dbraw/zinc/74/54/11/658745411.db2.gz VLJITOITWOAZDV-UONOGXRCSA-N 0 0 320.385 3.261 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1ccc(OC(F)(F)F)cc1 ZINC000174873642 658845113 /nfs/dbraw/zinc/84/51/13/658845113.db2.gz KQCVLPJPYAUBJY-SNVBAGLBSA-N 0 0 304.264 3.472 10 30 DGEERN C#CCN(C(=O)NCc1cc(Cl)ccc1OC)C1CCCC1 ZINC000163794622 658900305 /nfs/dbraw/zinc/90/03/05/658900305.db2.gz XYRCDONQFIZHLU-UHFFFAOYSA-N 0 0 320.820 3.436 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000156498201 658924886 /nfs/dbraw/zinc/92/48/86/658924886.db2.gz NJAHNGLABPSKKK-ZDUSSCGKSA-N 0 0 301.321 3.311 10 30 DGEERN C#CCN(C(=O)N[C@H](C)Cc1ccccc1F)C1CCCC1 ZINC000164599563 658938997 /nfs/dbraw/zinc/93/89/97/658938997.db2.gz NXIXTOSLFTYYOT-CQSZACIVSA-N 0 0 302.393 3.344 10 30 DGEERN C#CCOc1ccc([C@@H](C)NCc2nccn2CC(C)C)cc1 ZINC000164786841 658946082 /nfs/dbraw/zinc/94/60/82/658946082.db2.gz AULHZQIXYGTBHR-MRXNPFEDSA-N 0 0 311.429 3.402 10 30 DGEERN COc1cccc(/C=N/[C@@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000157150044 658989600 /nfs/dbraw/zinc/98/96/00/658989600.db2.gz KKRLMBDWYGPAEU-HCZVKUGISA-N 0 0 322.368 3.162 10 30 DGEERN C[C@H](C(=O)OC[C@H](C#N)Cc1ccc(F)cc1)C1CCOCC1 ZINC000165914377 659010635 /nfs/dbraw/zinc/01/06/35/659010635.db2.gz GVZWMOXOMVZUBQ-ZFWWWQNUSA-N 0 0 319.376 3.114 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000057745727 659025296 /nfs/dbraw/zinc/02/52/96/659025296.db2.gz UAOFTNKFUMTUOG-QWHCGFSZSA-N 0 0 305.374 3.230 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)Oc2ccc(C#N)cc2F)c1 ZINC000157923065 659122372 /nfs/dbraw/zinc/12/23/72/659122372.db2.gz IYHWNZAMCPBXBL-CABCVRRESA-N 0 0 311.312 3.415 10 30 DGEERN N#Cc1ccc(OC(=O)/C=C/c2cnc3ccccc3n2)c(F)c1 ZINC000158224593 659151399 /nfs/dbraw/zinc/15/13/99/659151399.db2.gz IDUGUPCYGPBVQA-SOFGYWHQSA-N 0 0 319.295 3.259 10 30 DGEERN N#CCCNCc1cc(Br)c(Br)s1 ZINC000227777900 659163614 /nfs/dbraw/zinc/16/36/14/659163614.db2.gz OPGXIWIKHCBMGJ-UHFFFAOYSA-N 0 0 324.041 3.276 10 30 DGEERN CC(=O)[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000229211984 659244092 /nfs/dbraw/zinc/24/40/92/659244092.db2.gz CUEBNBOUAMNRFZ-NSHDSACASA-N 0 0 307.191 3.126 10 30 DGEERN C[C@@H]1C[C@H](CC(=O)[C@@H](C#N)C(=O)N2CCCC2)CC(C)(C)C1 ZINC000171363605 659277423 /nfs/dbraw/zinc/27/74/23/659277423.db2.gz IUHBRGKCZZRHBH-RBSFLKMASA-N 0 0 304.434 3.170 10 30 DGEERN C=C(Br)COC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000171626817 659292378 /nfs/dbraw/zinc/29/23/78/659292378.db2.gz XILKPOIDCIDNFW-OLZOCXBDSA-N 0 0 311.175 3.251 10 30 DGEERN C=C(COc1cc2oc(=O)cc(C)c2cc1Cl)C(=O)OCC ZINC000172292338 659327342 /nfs/dbraw/zinc/32/73/42/659327342.db2.gz WESPXBWVHOEGFI-UHFFFAOYSA-N 0 0 322.744 3.253 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)NCC(=C)C ZINC000062698737 659344591 /nfs/dbraw/zinc/34/45/91/659344591.db2.gz WEAFPXQUQFJYTJ-UHFFFAOYSA-N 0 0 305.403 3.033 10 30 DGEERN C#Cc1cccc(NC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000172737219 659353050 /nfs/dbraw/zinc/35/30/50/659353050.db2.gz OXCYGKFNCWFUSP-UHFFFAOYSA-N 0 0 305.362 3.439 10 30 DGEERN CCOc1cccc(/C=N/CCc2ncc(CC)s2)c1O ZINC000173990344 659408029 /nfs/dbraw/zinc/40/80/29/659408029.db2.gz WLAHGWRQRMZXGC-LICLKQGHSA-N 0 0 304.415 3.471 10 30 DGEERN C#C[C@H](C)OC(=O)CCCOc1ccccc1Br ZINC000174470567 659436055 /nfs/dbraw/zinc/43/60/55/659436055.db2.gz DCLHLBZQUXEDLT-NSHDSACASA-N 0 0 311.175 3.173 10 30 DGEERN C#CCCCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000174575792 659441932 /nfs/dbraw/zinc/44/19/32/659441932.db2.gz HRGHIKLJFJGDOY-UHFFFAOYSA-N 0 0 315.398 3.039 10 30 DGEERN Cc1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)sc1C ZINC000174680982 659495241 /nfs/dbraw/zinc/49/52/41/659495241.db2.gz XPYHHTVIMPQAOV-NSHDSACASA-N 0 0 316.382 3.142 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCC2(CC#N)CC2)c1 ZINC000174736471 659576811 /nfs/dbraw/zinc/57/68/11/659576811.db2.gz ARBJMWFKJBFGIF-DOMZBBRYSA-N 0 0 312.369 3.132 10 30 DGEERN Cc1ccc(CC(=O)OCCOc2ccc(C#N)cc2)s1 ZINC000064190141 659627328 /nfs/dbraw/zinc/62/73/28/659627328.db2.gz NYPWXEIQXIYEKG-UHFFFAOYSA-N 0 0 301.367 3.093 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)OCC#Cc2ccccc2)s1 ZINC000175129029 659916127 /nfs/dbraw/zinc/91/61/27/659916127.db2.gz JVVAOGHSRIHGSN-CYBMUJFWSA-N 0 0 315.394 3.367 10 30 DGEERN CO[C@@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000175373462 659920161 /nfs/dbraw/zinc/92/01/61/659920161.db2.gz DSCYMSBHAQSSPC-SJLPKXTDSA-N 0 0 309.365 3.300 10 30 DGEERN Cc1nn(Cc2ccccc2)c(Cl)c1Cn1ccnc1C#N ZINC000179886345 659945699 /nfs/dbraw/zinc/94/56/99/659945699.db2.gz REBWTEJZUYXLJJ-UHFFFAOYSA-N 0 0 311.776 3.010 10 30 DGEERN N#CC1(c2ccc(C(=O)OCC#Cc3ccccc3)cc2)CC1 ZINC000179936645 659946489 /nfs/dbraw/zinc/94/64/89/659946489.db2.gz LHWDVGJXFUQWOJ-UHFFFAOYSA-N 0 0 301.345 3.450 10 30 DGEERN C=C(Cl)CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306380 659993282 /nfs/dbraw/zinc/99/32/82/659993282.db2.gz WXCBJQUJRCTAPW-AWEZNQCLSA-N 0 0 302.809 3.404 10 30 DGEERN CC(C)Cn1cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)cn1 ZINC000181714739 660016442 /nfs/dbraw/zinc/01/64/42/660016442.db2.gz SBYPFOYFLCNZTI-MRXNPFEDSA-N 0 0 311.385 3.078 10 30 DGEERN Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1 ZINC000069953022 660031189 /nfs/dbraw/zinc/03/11/89/660031189.db2.gz MUPVLGUMYLOXLC-QGZVFWFLSA-N 0 0 312.413 3.085 10 30 DGEERN COc1ccc(/C=C/C(=O)c2cc(O)ccc2OC)cc1C#N ZINC000182294902 660041706 /nfs/dbraw/zinc/04/17/06/660041706.db2.gz OIQYSAZTBDTCJZ-ZZXKWVIFSA-N 0 0 309.321 3.177 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182978919 660095595 /nfs/dbraw/zinc/09/55/95/660095595.db2.gz VAZAANWLGOOOLE-CJNGLKHVSA-N 0 0 304.434 3.281 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc(-c2ncn(C)n2)cc1)C1CC1 ZINC000183555849 660124094 /nfs/dbraw/zinc/12/40/94/660124094.db2.gz YPPBFQBGIHVPGH-INIZCTEOSA-N 0 0 311.385 3.384 10 30 DGEERN N#CC1(COC(=O)CNC(=O)CCC2CCCC2)CCCCC1 ZINC000183676293 660130100 /nfs/dbraw/zinc/13/01/00/660130100.db2.gz XDNUJKRRMJVCJO-UHFFFAOYSA-N 0 0 320.433 3.090 10 30 DGEERN COc1ccc(CCC(=O)OCC2(C#N)CCCC2)cc1F ZINC000183884247 660145411 /nfs/dbraw/zinc/14/54/11/660145411.db2.gz WIJDOCWNPHPQNC-UHFFFAOYSA-N 0 0 305.349 3.394 10 30 DGEERN CC[C@@H](C)Oc1cc(C(=O)OCC2(C#N)CCCC2)ccn1 ZINC000183902358 660146394 /nfs/dbraw/zinc/14/63/94/660146394.db2.gz SUCJYQXQNYVWFG-CYBMUJFWSA-N 0 0 302.374 3.500 10 30 DGEERN C/C(=C\C(=O)OCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000183908224 660146591 /nfs/dbraw/zinc/14/65/91/660146591.db2.gz GDOCLKQHBGWFQY-JLHYYAGUSA-N 0 0 303.333 3.093 10 30 DGEERN Cc1cc(C(=O)OCC2(C#N)CCOCC2)c(C)n1C(C)C ZINC000183971986 660150851 /nfs/dbraw/zinc/15/08/51/660150851.db2.gz OYBJDLBIQDKSNI-UHFFFAOYSA-N 0 0 304.390 3.163 10 30 DGEERN Cc1c(/C=C\C(=O)c2ccc(Br)s2)cnn1C ZINC000035657305 661409434 /nfs/dbraw/zinc/40/94/34/661409434.db2.gz KVUZWXAXPLRFPO-ARJAWSKDSA-N 0 0 311.204 3.449 10 30 DGEERN C=C[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000187534642 661832131 /nfs/dbraw/zinc/83/21/31/661832131.db2.gz YYVPTSLFJUIXAY-JTQLQIEISA-N 0 0 311.359 3.065 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)COc1ccc(C)cc1C ZINC000187539915 661837840 /nfs/dbraw/zinc/83/78/40/661837840.db2.gz NVDGKCMALLCZCF-GOSISDBHSA-N 0 0 306.402 3.454 10 30 DGEERN C=C(C)CN(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000155829357 661853581 /nfs/dbraw/zinc/85/35/81/661853581.db2.gz OUECXGGTCCAQLI-UHFFFAOYSA-N 0 0 322.408 3.118 10 30 DGEERN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](C)C#N ZINC000156260266 661861355 /nfs/dbraw/zinc/86/13/55/661861355.db2.gz SCPQCXWQKCPCGT-GFCCVEGCSA-N 0 0 309.369 3.076 10 30 DGEERN C=CCC[C@@H](OC(=O)[C@H]1CCCN(C(=O)CCC)C1)C1CC1 ZINC000159515528 661889800 /nfs/dbraw/zinc/88/98/00/661889800.db2.gz NXGXXDAXXVSYRK-JKSUJKDBSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCC[C@H](OC(=O)C[C@@H](C)NC(=O)c1ccccc1)C1CC1 ZINC000159634101 661891784 /nfs/dbraw/zinc/89/17/84/661891784.db2.gz TXYOVZWLGOXBNL-PBHICJAKSA-N 0 0 315.413 3.483 10 30 DGEERN C=CCC[C@@H](OC(=O)[C@H](C)NC(=O)c1cccs1)C1CC1 ZINC000159630448 661891977 /nfs/dbraw/zinc/89/19/77/661891977.db2.gz WFVREYIKSVYIFG-WCQYABFASA-N 0 0 307.415 3.154 10 30 DGEERN C=CC[C@]1(C(=O)NCCC2CC2)CCCN1C(=O)OC(C)(C)C ZINC000188347852 661926912 /nfs/dbraw/zinc/92/69/12/661926912.db2.gz MFWQQPFVCHFHRH-GOSISDBHSA-N 0 0 322.449 3.249 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)c1ccccc1OCC#N ZINC000188696665 661940353 /nfs/dbraw/zinc/94/03/53/661940353.db2.gz GUFXMXUZFRIDLG-UHFFFAOYSA-N 0 0 308.337 3.352 10 30 DGEERN CCn1nc(C)c(C(=O)OCC#Cc2ccccc2)c1Cl ZINC000076873795 662003511 /nfs/dbraw/zinc/00/35/11/662003511.db2.gz RUBICDFHQLKHNZ-UHFFFAOYSA-N 0 0 302.761 3.073 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H]2CCOc3c(C)cccc32)cc1 ZINC000190619756 662038606 /nfs/dbraw/zinc/03/86/06/662038606.db2.gz SBGIUNKFNDSUIG-SFHVURJKSA-N 0 0 321.376 3.261 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2CCC[C@H](OC)C2)cc1OC ZINC000078232404 662056092 /nfs/dbraw/zinc/05/60/92/662056092.db2.gz JLPBAEUKXMWNTG-LSDHHAIUSA-N 0 0 320.385 3.374 10 30 DGEERN C=CCc1ccc(OC(=O)c2cnn(C(C)C)c2)c(OC)c1 ZINC000191452306 662066528 /nfs/dbraw/zinc/06/65/28/662066528.db2.gz QWFBJFIBHGKXDK-UHFFFAOYSA-N 0 0 300.358 3.420 10 30 DGEERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000192048138 662086255 /nfs/dbraw/zinc/08/62/55/662086255.db2.gz XJPBCJRGWBVSQF-KRWDZBQOSA-N 0 0 314.429 3.027 10 30 DGEERN C=CCC1(C(=O)O[C@H]2C[C@H](OCC)C23CCOCC3)CCC1 ZINC000192299490 662094741 /nfs/dbraw/zinc/09/47/41/662094741.db2.gz VWERPEOGRQIJBW-GJZGRUSLSA-N 0 0 308.418 3.250 10 30 DGEERN C#CC[C@H](OC(=O)CCCc1csc(C)n1)c1ccccn1 ZINC000079151162 662100593 /nfs/dbraw/zinc/10/05/93/662100593.db2.gz FZCDLNCLLHASIN-INIZCTEOSA-N 0 0 314.410 3.477 10 30 DGEERN N#C[C@@H](COC(=O)Cc1cc(F)ccc1F)Cc1ccccc1 ZINC000079221926 662104725 /nfs/dbraw/zinc/10/47/25/662104725.db2.gz FAPYBTXOBQWBFS-AWEZNQCLSA-N 0 0 315.319 3.433 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000192688418 662108209 /nfs/dbraw/zinc/10/82/09/662108209.db2.gz PSARNMKHNLNHFQ-NPQIQWPPSA-N 0 0 308.303 3.372 10 30 DGEERN C=CCCCOC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000080325826 662136765 /nfs/dbraw/zinc/13/67/65/662136765.db2.gz ZLPHSSBTAVCNQC-INIZCTEOSA-N 0 0 303.402 3.259 10 30 DGEERN CC(C)N(C)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1F ZINC000081029101 662158500 /nfs/dbraw/zinc/15/85/00/662158500.db2.gz PBGNYXKWXWKXEZ-UHFFFAOYSA-N 0 0 314.364 3.133 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCOC1CCCCC1 ZINC000194224340 662161041 /nfs/dbraw/zinc/16/10/41/662161041.db2.gz OSBYNBSNIFDTRH-AWEZNQCLSA-N 0 0 317.385 3.218 10 30 DGEERN C=CCOc1ccc(OC(=O)CSc2ccncc2)cc1 ZINC000081323968 662164869 /nfs/dbraw/zinc/16/48/69/662164869.db2.gz FQASNNARMRJCJL-UHFFFAOYSA-N 0 0 301.367 3.344 10 30 DGEERN C[C@@H](OC(=O)c1cc(C#N)cn1C)c1ccc(OC(F)F)cc1 ZINC000081538654 662169246 /nfs/dbraw/zinc/16/92/46/662169246.db2.gz NBVYKRXSRDTPEA-SNVBAGLBSA-N 0 0 320.295 3.416 10 30 DGEERN C=C(Br)CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000195490786 662190598 /nfs/dbraw/zinc/19/05/98/662190598.db2.gz RBRRVYYZMFGHEI-OAHLLOKOSA-N 0 0 308.219 3.305 10 30 DGEERN CC(C)CCO[C@@H](C)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000089297332 662241095 /nfs/dbraw/zinc/24/10/95/662241095.db2.gz GIWAIJPLEQRMJA-UONOGXRCSA-N 0 0 309.431 3.425 10 30 DGEERN C#C[C@@H](OC(=O)c1cc(Br)cn1C(C)C)C1CC1 ZINC000089491674 662244744 /nfs/dbraw/zinc/24/47/44/662244744.db2.gz PQJUGJMYGRSKII-CYBMUJFWSA-N 0 0 310.191 3.400 10 30 DGEERN N#C[C@H](C(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246536773 662264121 /nfs/dbraw/zinc/26/41/21/662264121.db2.gz JKPQXJRCIPFKGJ-KSZLIROESA-N 0 0 324.424 3.228 10 30 DGEERN C#CCN(C(=O)c1ccc(Br)cc1O)C1CCCC1 ZINC000092598477 662332936 /nfs/dbraw/zinc/33/29/36/662332936.db2.gz QTTPTIFUNDAWNK-UHFFFAOYSA-N 0 0 322.202 3.173 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)O[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000248635531 662355927 /nfs/dbraw/zinc/35/59/27/662355927.db2.gz UIJXBNCVRBWZEC-AGGWBTHJSA-N 0 0 320.385 3.373 10 30 DGEERN C#CCOc1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768457 662359496 /nfs/dbraw/zinc/35/94/96/662359496.db2.gz FTJDLESSLQVDTR-GOSISDBHSA-N 0 0 313.422 3.334 10 30 DGEERN C#Cc1ccc(C(=O)OCc2csc(Br)c2)nc1 ZINC000729006308 685277501 /nfs/dbraw/zinc/27/75/01/685277501.db2.gz BRDWIPQWRCNJKZ-UHFFFAOYSA-N 0 0 322.183 3.244 10 30 DGEERN C=CCOc1ccc(OC(=O)CCOCC(F)(F)F)cc1 ZINC000173521023 685104704 /nfs/dbraw/zinc/10/47/04/685104704.db2.gz GQMXPRRXOXWBQZ-UHFFFAOYSA-N 0 0 304.264 3.126 10 30 DGEERN C=CCOc1cccc(CNc2ccc3c(c2)OCC(=O)N3)c1 ZINC000236686992 1176488751 /nfs/dbraw/zinc/48/87/51/1176488751.db2.gz XJYFZQZKNWKTIK-UHFFFAOYSA-N 0 0 310.353 3.194 10 30 DGEERN COc1cccc(CC(=O)N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000328777218 1176652796 /nfs/dbraw/zinc/65/27/96/1176652796.db2.gz SUIGCERFQYTAGC-HNNXBMFYSA-N 0 0 318.417 3.471 10 30 DGEERN Cc1c(CNc2ccc(C#N)c(Br)c2F)cnn1C ZINC000226249920 1176765899 /nfs/dbraw/zinc/76/58/99/1176765899.db2.gz SOVJTKQRXYASFT-UHFFFAOYSA-N 0 0 323.169 3.114 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000338169264 1177725537 /nfs/dbraw/zinc/72/55/37/1177725537.db2.gz FEDQWHCYPHJBDL-ZBFHGGJFSA-N 0 0 321.392 3.177 10 30 DGEERN C=CC[C@H](C)Nc1ccc(Br)c(C(=O)OCC)n1 ZINC000603291623 1181504760 /nfs/dbraw/zinc/50/47/60/1181504760.db2.gz GOLHNAAMXLIIPV-VIFPVBQESA-N 0 0 313.195 3.397 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000080986569 1197141913 /nfs/dbraw/zinc/14/19/13/1197141913.db2.gz QHVDJEWAYUPSTE-ZDPBIUCKSA-N 0 0 318.376 3.218 10 30 DGEERN N#Cc1ccc(Br)cc1NCCc1cscn1 ZINC000123280682 1199381575 /nfs/dbraw/zinc/38/15/75/1199381575.db2.gz KZHVZQPVIUKLOU-UHFFFAOYSA-N 0 0 308.204 3.432 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cc(F)c(Br)cc1N ZINC000306045702 1199694257 /nfs/dbraw/zinc/69/42/57/1199694257.db2.gz ODNUTEOKTIDLME-UHFFFAOYSA-N 0 0 315.186 3.209 10 30 DGEERN N#Cc1ccc(Br)cc1Oc1ccc([N+](=O)[O-])cn1 ZINC000308083830 1199702079 /nfs/dbraw/zinc/70/20/79/1199702079.db2.gz LSARUORSYPVXDZ-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C[C@H](Nc1cc(Br)c(C#N)cc1F)c1cn[nH]c1 ZINC000310610895 1199722309 /nfs/dbraw/zinc/72/23/09/1199722309.db2.gz ANAYIYQQROFUBL-ZETCQYMHSA-N 0 0 309.142 3.356 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000316533833 1199815196 /nfs/dbraw/zinc/81/51/96/1199815196.db2.gz IJILBRYCNYJQSM-LBPRGKRZSA-N 0 0 310.825 3.089 10 30 DGEERN N#Cc1ccc(Br)cc1NCC1(CO)CCCC1 ZINC000123365480 1200277153 /nfs/dbraw/zinc/27/71/53/1200277153.db2.gz PEQFKAFFEPDKKF-UHFFFAOYSA-N 0 0 309.207 3.285 10 30 DGEERN N#Cc1ccc(Br)cc1N[C@H](CO)c1ccccc1 ZINC000124437422 1200353869 /nfs/dbraw/zinc/35/38/69/1200353869.db2.gz QFFHJCJTCXYZSJ-OAHLLOKOSA-N 0 0 317.186 3.466 10 30 DGEERN C=CCCOCCNC(=O)c1cc(C)c(Br)s1 ZINC000229926328 1202437472 /nfs/dbraw/zinc/43/74/72/1202437472.db2.gz YUXVTPYXLHVRER-UHFFFAOYSA-N 0 0 318.236 3.142 10 30 DGEERN CO[C@]1(C)CCCN(c2cc(Br)ccc2C#N)C1 ZINC000230264686 1202597783 /nfs/dbraw/zinc/59/77/83/1202597783.db2.gz OQCOBWFIUXLUMS-CQSZACIVSA-N 0 0 309.207 3.326 10 30 DGEERN C=CCCOCCNc1ccc(C#N)c(Br)c1F ZINC000231808778 1202600171 /nfs/dbraw/zinc/60/01/71/1202600171.db2.gz ZCYGHAORERPJDR-UHFFFAOYSA-N 0 0 313.170 3.464 10 30 DGEERN CC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CCO1 ZINC000231844193 1202600332 /nfs/dbraw/zinc/60/03/32/1202600332.db2.gz DBTUCWSXDAJQEP-SNVBAGLBSA-N 0 0 313.170 3.075 10 30 DGEERN Cc1n[nH]cc1CNc1ccc(C#N)c(Br)c1F ZINC000231863715 1202600402 /nfs/dbraw/zinc/60/04/02/1202600402.db2.gz JVVMNZCLZHGGTD-UHFFFAOYSA-N 0 0 309.142 3.104 10 30 DGEERN CC(C)C[C@H](O)CNc1ccc(C#N)c(Br)c1F ZINC000231864079 1202600408 /nfs/dbraw/zinc/60/04/08/1202600408.db2.gz GUVJPQLAQAIKAU-JTQLQIEISA-N 0 0 315.186 3.279 10 30 DGEERN COC[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1 ZINC000234772170 1202603805 /nfs/dbraw/zinc/60/38/05/1202603805.db2.gz WFNGPPFSMKHRGE-LLVKDONJSA-N 0 0 309.207 3.184 10 30 DGEERN CCCCCCCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000159333206 1202604767 /nfs/dbraw/zinc/60/47/67/1202604767.db2.gz ILCNPNSORWAOGQ-UHFFFAOYSA-N 0 0 312.410 3.336 10 30 DGEERN CC#CCCCC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C ZINC000185738503 1202864178 /nfs/dbraw/zinc/86/41/78/1202864178.db2.gz VUXIWLUJCRRIJF-UHFFFAOYSA-N 0 0 324.465 3.380 10 30 DGEERN Cc1noc([C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C(C)C)n1 ZINC000180662188 1204333596 /nfs/dbraw/zinc/33/35/96/1204333596.db2.gz QTTNIPCEZBEXLU-OAHLLOKOSA-N 0 0 324.384 3.060 10 30 DGEERN N#Cc1c[nH]nc1NC(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC000706327117 1081974127 /nfs/dbraw/zinc/97/41/27/1081974127.db2.gz ZIIPQGGHIBCWOA-UPHRSURJSA-N 0 0 307.140 3.240 10 30 DGEERN CCCN(CCc1ccccn1)C(=O)/C=C\c1ccccc1C#N ZINC000254929943 1082024192 /nfs/dbraw/zinc/02/41/92/1082024192.db2.gz CMRLJVDCSDNCFP-KHPPLWFESA-N 0 0 319.408 3.448 10 30 DGEERN Cc1cccc(-c2noc(CON=C3CCCOCC3)n2)c1 ZINC000588398761 1082140579 /nfs/dbraw/zinc/14/05/79/1082140579.db2.gz VVEQQPURDAKGDV-UHFFFAOYSA-N 0 0 301.346 3.118 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(-n2cccn2)cc1 ZINC000588410401 1082169868 /nfs/dbraw/zinc/16/98/68/1082169868.db2.gz UIXJOXAHPVDKCU-UITAMQMPSA-N 0 0 320.348 3.483 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000588456497 1082333985 /nfs/dbraw/zinc/33/39/85/1082333985.db2.gz PEGVDNZGXLCBRW-LJTDUEICSA-N 0 0 303.321 3.421 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000588551897 1082616448 /nfs/dbraw/zinc/61/64/48/1082616448.db2.gz RHOUVIUXBNLYOX-XOWYPZSQSA-N 0 0 318.369 3.201 10 30 DGEERN C=CCN(CCOC)C(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC000588585376 1082769703 /nfs/dbraw/zinc/76/97/03/1082769703.db2.gz VGUXMNKUSBTIQE-PFONDFGASA-N 0 0 303.402 3.150 10 30 DGEERN COc1cc(OC(=O)/C=C\c2ccnc(Cl)c2)ccc1C#N ZINC000588596253 1082831894 /nfs/dbraw/zinc/83/18/94/1082831894.db2.gz WNYWWAYFGMSPKX-DJWKRKHSSA-N 0 0 314.728 3.234 10 30 DGEERN C/C(=C/C(C)(C)C)C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 ZINC000588599755 1082838985 /nfs/dbraw/zinc/83/89/85/1082838985.db2.gz LGZMOCARODONJL-WQLSENKSSA-N 0 0 322.405 3.035 10 30 DGEERN O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C/c1cnn2ccccc12 ZINC000588598607 1082839095 /nfs/dbraw/zinc/83/90/95/1082839095.db2.gz PPIZBBDLUYKXSN-LCYFTJDESA-N 0 0 319.320 3.455 10 30 DGEERN N#Cc1csc(CNCc2ncc(Br)s2)c1 ZINC000714923097 1087680854 /nfs/dbraw/zinc/68/08/54/1087680854.db2.gz VGBOMTQMUZRCKD-UHFFFAOYSA-N 0 0 314.233 3.129 10 30 DGEERN COc1cccc(C#CCOC(=O)Cc2cc(F)ccc2F)c1 ZINC000176595639 1088134257 /nfs/dbraw/zinc/13/42/57/1088134257.db2.gz WENHBSKUBFCMFD-UHFFFAOYSA-N 0 0 316.303 3.111 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@@H](C)c2cccs2)c1 ZINC000176600389 1088156248 /nfs/dbraw/zinc/15/62/48/1088156248.db2.gz BNLVIEABRXHAAG-ZDUSSCGKSA-N 0 0 300.379 3.455 10 30 DGEERN C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@H]1CCOC1 ZINC000231848595 1095808889 /nfs/dbraw/zinc/80/88/89/1095808889.db2.gz SIZQEQQREMOUKN-WPRPVWTQSA-N 0 0 313.170 3.297 10 30 DGEERN Cc1cc(C#N)ccc1CN1CCS[C@H](C(F)(F)F)C1 ZINC000721443974 1097298445 /nfs/dbraw/zinc/29/84/45/1097298445.db2.gz YSOXWPMHLUACBJ-ZDUSSCGKSA-N 0 0 300.349 3.346 10 30 DGEERN C#C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000702241274 1109042875 /nfs/dbraw/zinc/04/28/75/1109042875.db2.gz WZULXMIDZSYDGG-LBPRGKRZSA-N 0 0 320.241 3.320 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2ncc(C)s2)CC1 ZINC000278271166 214059610 /nfs/dbraw/zinc/05/96/10/214059610.db2.gz AYAJUQLDHZPMOF-HUUCEWRRSA-N 0 0 320.458 3.139 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000076952611 185060230 /nfs/dbraw/zinc/06/02/30/185060230.db2.gz QXGWCOIKAQVGCK-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=CCCC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C ZINC000278514501 214205450 /nfs/dbraw/zinc/20/54/50/214205450.db2.gz FQLBZJIUZYAFRY-TZMCWYRMSA-N 0 0 311.389 3.134 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000278558499 214236278 /nfs/dbraw/zinc/23/62/78/214236278.db2.gz PKHBJTBEDUTDRP-ZWNOBZJWSA-N 0 0 303.387 3.058 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000358079905 529447801 /nfs/dbraw/zinc/44/78/01/529447801.db2.gz OIHFIANSZCCWCG-ZDUSSCGKSA-N 0 0 315.398 3.144 10 30 DGEERN COC(=O)[C@H](N[C@@H](C)c1ccccc1C)c1cccc(C#N)c1 ZINC000083029403 185211767 /nfs/dbraw/zinc/21/17/67/185211767.db2.gz MNNHHCFOEYTMAA-KBXCAEBGSA-N 0 0 308.381 3.432 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1C=CCC1 ZINC000062888004 432004651 /nfs/dbraw/zinc/00/46/51/432004651.db2.gz HDOCPKAODZVDNS-CQSZACIVSA-N 0 0 300.358 3.466 10 30 DGEERN CCc1c(C(=O)Nc2cc(C#N)ccn2)cnn1C1CCCC1 ZINC000436017271 529489780 /nfs/dbraw/zinc/48/97/80/529489780.db2.gz BHBUHHFBAXDTMY-UHFFFAOYSA-N 0 0 309.373 3.080 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)c[nH]1 ZINC000063250506 432004921 /nfs/dbraw/zinc/00/49/21/432004921.db2.gz IXGNFPOKTGMVQS-UHFFFAOYSA-N 0 0 319.748 3.405 10 30 DGEERN C=CCN(Cc1nc(C)c(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287229 432005255 /nfs/dbraw/zinc/00/52/55/432005255.db2.gz MOMUUCAXHPHUFH-UHFFFAOYSA-N 0 0 301.346 3.388 10 30 DGEERN Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(C#N)o2)o1 ZINC000092355622 185313752 /nfs/dbraw/zinc/31/37/52/185313752.db2.gz VDTMVACDCGRZKO-QGZVFWFLSA-N 0 0 320.352 3.142 10 30 DGEERN C[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152275445 290679044 /nfs/dbraw/zinc/67/90/44/290679044.db2.gz AMTVKEIQBLIROV-BBRMVZONSA-N 0 0 316.376 3.198 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000277787105 213766585 /nfs/dbraw/zinc/76/65/85/213766585.db2.gz WZORSLQIWJGQRR-UVBJJODRSA-N 0 0 324.371 3.306 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000130098910 432015190 /nfs/dbraw/zinc/01/51/90/432015190.db2.gz WZMQUKZIVNYKNZ-QAPCUYQASA-N 0 0 322.408 3.151 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(C#N)cc1 ZINC000066709514 432019751 /nfs/dbraw/zinc/01/97/51/432019751.db2.gz ZOGHZFDFPUSUGQ-HNAYVOBHSA-N 0 0 320.392 3.089 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(CC#N)c1 ZINC000066710346 432019877 /nfs/dbraw/zinc/01/98/77/432019877.db2.gz PYLAHWFRSGKBNQ-HNAYVOBHSA-N 0 0 320.392 3.355 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCOc1cccc(C#N)c1 ZINC000066851613 432022756 /nfs/dbraw/zinc/02/27/56/432022756.db2.gz VCIBSYBJBKQQIB-OXQOHEQNSA-N 0 0 322.408 3.399 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)o1 ZINC000133635335 186001780 /nfs/dbraw/zinc/00/17/80/186001780.db2.gz XLXPUCAEMQQDRG-CYBMUJFWSA-N 0 0 312.369 3.495 10 30 DGEERN C[C@@H](CC(=O)NCCC(=O)N1CCCCCC1)c1cccnc1 ZINC000329291158 295813146 /nfs/dbraw/zinc/81/31/46/295813146.db2.gz INXXEVRIEMOMOG-HNNXBMFYSA-N 0 0 317.433 3.324 10 30 DGEERN N#Cc1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)ccn1 ZINC000279832954 186500847 /nfs/dbraw/zinc/50/08/47/186500847.db2.gz QKUZUKNSCQJWKU-GOSISDBHSA-N 0 0 305.381 3.191 10 30 DGEERN C=CC[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000277250135 213394529 /nfs/dbraw/zinc/39/45/29/213394529.db2.gz JTWBBZIRLGPGKH-NSHDSACASA-N 0 0 307.699 3.478 10 30 DGEERN C#CCCCC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000277216126 213372584 /nfs/dbraw/zinc/37/25/84/213372584.db2.gz LCYPHDKCKYGWDZ-CYBMUJFWSA-N 0 0 322.202 3.192 10 30 DGEERN C=C(C)COc1cc(C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC)ccc1OC ZINC000277215166 213372305 /nfs/dbraw/zinc/37/23/05/213372305.db2.gz HMQKMPFNRZVAQC-CXAGYDPISA-N 0 0 321.417 3.239 10 30 DGEERN C=CCCCN(C)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000172575257 198118432 /nfs/dbraw/zinc/11/84/32/198118432.db2.gz GOUNSWFDOSZHKI-UHFFFAOYSA-N 0 0 322.206 3.364 10 30 DGEERN Cc1ccc(CCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000130726876 432029424 /nfs/dbraw/zinc/02/94/24/432029424.db2.gz SEASSGDWOROQLG-UHFFFAOYSA-N 0 0 320.392 3.089 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O ZINC000004096637 181072752 /nfs/dbraw/zinc/07/27/52/181072752.db2.gz SSBCZTXGVMMZOT-NBBHSKLNSA-N 0 0 302.414 3.058 10 30 endogenous,in-man DGEERN N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C1CC1 ZINC000179063558 432038126 /nfs/dbraw/zinc/03/81/26/432038126.db2.gz REXCIMHYTHGWIP-MRXNPFEDSA-N 0 0 311.772 3.434 10 30 DGEERN N#Cc1c(N)sc2c1CCN(c1ccc(C#N)c(Cl)c1)C2 ZINC000301538457 283078582 /nfs/dbraw/zinc/07/85/82/283078582.db2.gz RNEPARPMGUCZLL-UHFFFAOYSA-N 0 0 314.801 3.290 10 30 DGEERN COc1ccc(CN=Nc2nc3ccccc3c(=O)s2)cc1 ZINC000004932000 181174282 /nfs/dbraw/zinc/17/42/82/181174282.db2.gz YGOOMHUFMQRHNG-LICLKQGHSA-N 0 0 311.366 3.111 10 30 DGEERN N#Cc1cccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1 ZINC000074851070 191372402 /nfs/dbraw/zinc/37/24/02/191372402.db2.gz FLSJZWCDGFYWKX-UHFFFAOYSA-N 0 0 307.328 3.151 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cs2)C12CCCC2 ZINC000177092574 198665670 /nfs/dbraw/zinc/66/56/70/198665670.db2.gz SMZOECJPNZCAFA-CABCVRRESA-N 0 0 318.442 3.430 10 30 DGEERN N#Cc1cc(F)ccc1N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299747501 283099579 /nfs/dbraw/zinc/09/95/79/283099579.db2.gz DFUFOEXTGHINIQ-OAHLLOKOSA-N 0 0 310.376 3.224 10 30 DGEERN C[C@]12C[C@H](O)[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\O ZINC000005123865 181206633 /nfs/dbraw/zinc/20/66/33/181206633.db2.gz UVOYUJOWNXEANU-GYPBUPAGSA-N 0 0 301.386 3.049 10 30 DGEERN N#Cc1ccnc(SCCCc2nc(-c3ccncc3)no2)c1 ZINC000078754162 191925059 /nfs/dbraw/zinc/92/50/59/191925059.db2.gz IKZYEZYIZQJLAB-UHFFFAOYSA-N 0 0 323.381 3.123 10 30 DGEERN C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCOCC1 ZINC000179271733 432052053 /nfs/dbraw/zinc/05/20/53/432052053.db2.gz AISVIAZCHISKRS-CQSZACIVSA-N 0 0 312.413 3.112 10 30 DGEERN CC(=O)C(=NNc1ccccc1)NNc1ccc(Cl)cc1 ZINC000005480813 181248479 /nfs/dbraw/zinc/24/84/79/181248479.db2.gz WKWOMBJHUYKDAB-UHFFFAOYSA-N 0 0 302.765 3.271 10 30 DGEERN C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000005559723 181257360 /nfs/dbraw/zinc/25/73/60/181257360.db2.gz IXJFDCWNBWBFHL-GFCCVEGCSA-N 0 0 317.458 3.311 10 30 DGEERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)o1 ZINC000165800113 432056953 /nfs/dbraw/zinc/05/69/53/432056953.db2.gz PBMVWJKOPIEBRE-INIZCTEOSA-N 0 0 311.341 3.065 10 30 DGEERN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000081547521 192287645 /nfs/dbraw/zinc/28/76/45/192287645.db2.gz PHZVSSRLHDDIDL-ZBFHGGJFSA-N 0 0 307.397 3.223 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(N2CCC(Cc3ccccn3)CC2)c1 ZINC000183836719 283189352 /nfs/dbraw/zinc/18/93/52/283189352.db2.gz CIVIWSLFCLUUIA-UHFFFAOYSA-N 0 0 322.368 3.321 10 30 DGEERN N#Cc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189781849 283204006 /nfs/dbraw/zinc/20/40/06/283204006.db2.gz QSJKRCKZKWDDNN-UHFFFAOYSA-N 0 0 318.376 3.267 10 30 DGEERN C[C@H]1CCN(c2ncc(Br)cc2C#N)CCS1 ZINC000294945373 290594521 /nfs/dbraw/zinc/59/45/21/290594521.db2.gz JXUIPZXHLKIXIW-VIFPVBQESA-N 0 0 312.236 3.048 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179263009 199007180 /nfs/dbraw/zinc/00/71/80/199007180.db2.gz JFBKYVJSBNRKTI-UHFFFAOYSA-N 0 0 322.670 3.439 10 30 DGEERN CCCOCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000180707703 199199992 /nfs/dbraw/zinc/19/99/92/199199992.db2.gz JTZQOLXOZCIMJV-UHFFFAOYSA-N 0 0 308.381 3.268 10 30 DGEERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000170709929 432077923 /nfs/dbraw/zinc/07/79/23/432077923.db2.gz QCTZWFPOMLMYSK-CQSZACIVSA-N 0 0 317.389 3.190 10 30 DGEERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000170730134 432078496 /nfs/dbraw/zinc/07/84/96/432078496.db2.gz QTZIQSRPBBKEEK-CYBMUJFWSA-N 0 0 323.437 3.022 10 30 DGEERN CN(CC(=O)Nc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC000180114996 432078964 /nfs/dbraw/zinc/07/89/64/432078964.db2.gz YIZXVVMUIFTJFD-UHFFFAOYSA-N 0 0 319.817 3.344 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H](C)CCC(=O)OCC)c1ccccc1 ZINC000089805161 192875604 /nfs/dbraw/zinc/87/56/04/192875604.db2.gz XXAGZTCKKYWNKN-GJZGRUSLSA-N 0 0 303.402 3.194 10 30 DGEERN N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000170891231 432086535 /nfs/dbraw/zinc/08/65/35/432086535.db2.gz RBJVKRPEQKVHPK-CYBMUJFWSA-N 0 0 312.398 3.426 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000188943342 200325102 /nfs/dbraw/zinc/32/51/02/200325102.db2.gz ODHKDYZLZDPWFL-ZDUSSCGKSA-N 0 0 319.401 3.098 10 30 DGEERN COc1ccc(CN=Nc2nncc3ccccc32)c(OC)c1 ZINC000006049104 181308044 /nfs/dbraw/zinc/30/80/44/181308044.db2.gz PGOFUKVCMMBRQA-YBFXNURJSA-N 0 0 308.341 3.093 10 30 DGEERN N#Cc1ccnc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000435998964 238381836 /nfs/dbraw/zinc/38/18/36/238381836.db2.gz XLHDRMATLZSCCN-UHFFFAOYSA-N 0 0 303.774 3.337 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cccc(OCC(F)(F)F)c2)c1 ZINC000436011930 238383477 /nfs/dbraw/zinc/38/34/77/238383477.db2.gz RJMHXTGHMUVRMU-UHFFFAOYSA-N 0 0 321.258 3.147 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccn1 ZINC000436019554 238386376 /nfs/dbraw/zinc/38/63/76/238386376.db2.gz NRIVIOSTZYXOAD-JTQLQIEISA-N 0 0 301.733 3.013 10 30 DGEERN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000189839988 432095949 /nfs/dbraw/zinc/09/59/49/432095949.db2.gz ZBTLWBRDXUBTSN-UHFFFAOYSA-N 0 0 300.745 3.189 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)CCc1ccccc1O ZINC000193547610 201072353 /nfs/dbraw/zinc/07/23/53/201072353.db2.gz DOTJNPZVRVGKHK-UHFFFAOYSA-N 0 0 310.353 3.234 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000189845492 432097452 /nfs/dbraw/zinc/09/74/52/432097452.db2.gz RQQKDQAZKATVDR-YOEHRIQHSA-N 0 0 302.418 3.072 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000189872337 432098372 /nfs/dbraw/zinc/09/83/72/432098372.db2.gz AHLXJYBGLFYMMU-CQSZACIVSA-N 0 0 300.402 3.003 10 30 DGEERN N#Cc1ccc(CN2CCC(O)(c3ccccc3Cl)CC2)o1 ZINC000194946000 201315654 /nfs/dbraw/zinc/31/56/54/201315654.db2.gz GKFJSDLLJGNQLP-UHFFFAOYSA-N 0 0 316.788 3.288 10 30 DGEERN N#Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccn1 ZINC000195104250 201339795 /nfs/dbraw/zinc/33/97/95/201339795.db2.gz ZQKBYHIWPLUECQ-UHFFFAOYSA-N 0 0 313.360 3.473 10 30 DGEERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000195052406 201332023 /nfs/dbraw/zinc/33/20/23/201332023.db2.gz QYCLBFORAFSWNW-NSHDSACASA-N 0 0 322.393 3.396 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000189893146 432102523 /nfs/dbraw/zinc/10/25/23/432102523.db2.gz QGOUUPBKFSTNOQ-OAHLLOKOSA-N 0 0 314.429 3.345 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000275447804 212339551 /nfs/dbraw/zinc/33/95/51/212339551.db2.gz HZJBYUKXLUXVGU-MAUKXSAKSA-N 0 0 303.402 3.082 10 30 DGEERN C=CCCCC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189915940 432104941 /nfs/dbraw/zinc/10/49/41/432104941.db2.gz SBIOCJVJKREBHB-INIZCTEOSA-N 0 0 314.429 3.190 10 30 DGEERN C=CC[C@@]1(C(=O)OCC)CCCN1C(=O)OCc1ccccc1 ZINC000091361793 193046680 /nfs/dbraw/zinc/04/66/80/193046680.db2.gz WCEPSINLMLXEEU-SFHVURJKSA-N 0 0 317.385 3.297 10 30 DGEERN CC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451208339 241048552 /nfs/dbraw/zinc/04/85/52/241048552.db2.gz NNEAWMQIIFDHRL-CYBMUJFWSA-N 0 0 324.421 3.039 10 30 DGEERN C=C(C)CCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000452724283 241495517 /nfs/dbraw/zinc/49/55/17/241495517.db2.gz QIZBHTBFDWEUPO-UHFFFAOYSA-N 0 0 304.777 3.349 10 30 DGEERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000081549076 283919931 /nfs/dbraw/zinc/91/99/31/283919931.db2.gz GBAZZTYCQIDVPZ-QGZVFWFLSA-N 0 0 309.413 3.299 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@H]1COCC1(C)C)c1ccc(F)c(F)c1 ZINC000454820679 242042035 /nfs/dbraw/zinc/04/20/35/242042035.db2.gz UXVIIADDCMLSQT-LSDHHAIUSA-N 0 0 324.371 3.306 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2CCC23CCCC3)cc1F ZINC000454861096 242050009 /nfs/dbraw/zinc/05/00/09/242050009.db2.gz QBBVOIOSXXGREZ-HNNXBMFYSA-N 0 0 301.365 3.219 10 30 DGEERN C=CCCCNC(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000454898205 242059884 /nfs/dbraw/zinc/05/98/84/242059884.db2.gz QUKBPZAYVRTKRT-CYBMUJFWSA-N 0 0 308.344 3.094 10 30 DGEERN C=CCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246252321 432112162 /nfs/dbraw/zinc/11/21/62/432112162.db2.gz GTDGBQDYLYQJNY-GDBMZVCRSA-N 0 0 310.800 3.307 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CC(C)(CO)C1 ZINC000455248669 242144178 /nfs/dbraw/zinc/14/41/78/242144178.db2.gz PMVCNTICYUCASI-UHFFFAOYSA-N 0 0 302.418 3.385 10 30 DGEERN C=CCC1(CNC(=O)NCc2ccc3cc[nH]c3n2)CCCC1 ZINC000455470398 242208964 /nfs/dbraw/zinc/20/89/64/242208964.db2.gz XCQBWTKYJCXIDY-UHFFFAOYSA-N 0 0 312.417 3.499 10 30 DGEERN C=CCC1(CNC(=O)N[C@@H](CO)c2ccsc2)CCCC1 ZINC000455472181 242210791 /nfs/dbraw/zinc/21/07/91/242210791.db2.gz DEXDDICSLIMPHF-AWEZNQCLSA-N 0 0 308.447 3.217 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)N2CCC(c3ncc[nH]3)CC2)c1 ZINC000455981071 242321167 /nfs/dbraw/zinc/32/11/67/242321167.db2.gz GJKKIQUJJGBAMQ-UHFFFAOYSA-N 0 0 309.373 3.001 10 30 DGEERN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)o1 ZINC000456634390 242512872 /nfs/dbraw/zinc/51/28/72/242512872.db2.gz CZBPJGYFMCRTRH-OAHLLOKOSA-N 0 0 320.352 3.395 10 30 DGEERN C=C(CNC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000458769343 243152477 /nfs/dbraw/zinc/15/24/77/243152477.db2.gz WUTUQDXZHIRSLQ-FUHWJXTLSA-N 0 0 316.445 3.450 10 30 DGEERN C=C(C)[C@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000275167781 212166075 /nfs/dbraw/zinc/16/60/75/212166075.db2.gz WFSORQRFINNCOK-MAZHCROVSA-N 0 0 324.371 3.042 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)C1CCCC1 ZINC000459066693 243240634 /nfs/dbraw/zinc/24/06/34/243240634.db2.gz GZQXZEVCYVAMCP-CQSZACIVSA-N 0 0 320.433 3.438 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC3(CC3)c3ccccc32)cc1F ZINC000459114006 243254285 /nfs/dbraw/zinc/25/42/85/243254285.db2.gz ILWPKTGSVNWJQE-UHFFFAOYSA-N 0 0 321.355 3.459 10 30 DGEERN COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000459308644 243327545 /nfs/dbraw/zinc/32/75/45/243327545.db2.gz YCEXFLJWPFLKLO-CYBMUJFWSA-N 0 0 314.366 3.037 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C[C@]4(CO4)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000065748310 291446243 /nfs/dbraw/zinc/44/62/43/291446243.db2.gz ODMZYNAXKLSHLW-YAFLLMLKSA-N 0 0 314.425 3.034 10 30 in-vitro DGEERN C=C(C)[C@H](NC(=O)N[C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000275110281 212126149 /nfs/dbraw/zinc/12/61/49/212126149.db2.gz XZUXEWPEEZSLTE-BONVTDFDSA-N 0 0 320.343 3.366 10 30 DGEERN CC(C)C(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(C)C ZINC000469823698 244124343 /nfs/dbraw/zinc/12/43/43/244124343.db2.gz YANNRRFYLLJNDT-GOSISDBHSA-N 0 0 324.465 3.292 10 30 DGEERN C=C(C)[C@@H](NC(=O)N(C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000275090651 212115128 /nfs/dbraw/zinc/11/51/28/212115128.db2.gz HZHFYEYIYTWSQJ-IUODEOHRSA-N 0 0 310.344 3.012 10 30 DGEERN C=CCCCCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000471691668 244229954 /nfs/dbraw/zinc/22/99/54/244229954.db2.gz HAXGQMUGDZJTQF-QGZVFWFLSA-N 0 0 300.402 3.434 10 30 DGEERN CC(C)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000474415765 244396868 /nfs/dbraw/zinc/39/68/68/244396868.db2.gz SJCGNERCAJQUOT-KDOFPFPSSA-N 0 0 322.449 3.143 10 30 DGEERN N#Cc1ccc2ncc(CNc3cccc(-n4ccnc4)c3)n2c1 ZINC000120515434 284171231 /nfs/dbraw/zinc/17/12/31/284171231.db2.gz KQUVAUOLOASVQQ-UHFFFAOYSA-N 0 0 314.352 3.004 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CSc1ccc(C#N)cc1 ZINC000264012992 203677742 /nfs/dbraw/zinc/67/77/42/203677742.db2.gz PAILQVZHJAKZQV-UHFFFAOYSA-N 0 0 314.332 3.227 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC000487956422 245128069 /nfs/dbraw/zinc/12/80/69/245128069.db2.gz LLZZXMSRLMNITO-OAHLLOKOSA-N 0 0 304.409 3.155 10 30 DGEERN CCCC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488723538 245223593 /nfs/dbraw/zinc/22/35/93/245223593.db2.gz ILAAQTPXANOGGP-MLGOLLRUSA-N 0 0 324.421 3.335 10 30 DGEERN CC(C)c1ccc(/C=C\CC(=O)NC2(C#N)CCOCC2)cc1 ZINC000489061725 245270435 /nfs/dbraw/zinc/27/04/35/245270435.db2.gz JSGYDVBDQDJEGY-ARJAWSKDSA-N 0 0 312.413 3.402 10 30 DGEERN C=C(C)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000490073948 245379451 /nfs/dbraw/zinc/37/94/51/245379451.db2.gz STKWMNWODQDPCC-UHFFFAOYSA-N 0 0 324.302 3.482 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000125911692 284287952 /nfs/dbraw/zinc/28/79/52/284287952.db2.gz ZSWBSTMVYBIREB-CYBMUJFWSA-N 0 0 312.344 3.203 10 30 DGEERN Cc1csc([C@@H]2CN(c3c(F)cc(C#N)cc3F)CCO2)n1 ZINC000171362974 432125202 /nfs/dbraw/zinc/12/52/02/432125202.db2.gz UFDYOMAUQJLXRZ-ZDUSSCGKSA-N 0 0 321.352 3.179 10 30 DGEERN Cn1c(COc2ccc(C#N)cc2F)nnc1-c1ccccc1 ZINC000127470218 284340673 /nfs/dbraw/zinc/34/06/73/284340673.db2.gz GWZCHJQJSGOOSG-UHFFFAOYSA-N 0 0 308.316 3.072 10 30 DGEERN N/C(=N\O)c1ccc(OCc2cccc(Br)c2)cc1 ZINC000019423941 182122718 /nfs/dbraw/zinc/12/27/18/182122718.db2.gz SMRXEXMVFMJSRX-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000494668588 246179461 /nfs/dbraw/zinc/17/94/61/246179461.db2.gz RXLYGABTKJLEHL-SFHVURJKSA-N 0 0 324.428 3.182 10 30 DGEERN CCC(C)(C)NC(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000135318379 284470586 /nfs/dbraw/zinc/47/05/86/284470586.db2.gz WGEVIRJMWHDMER-UHFFFAOYSA-N 0 0 306.431 3.105 10 30 DGEERN COc1ccc(CS[C@H](C)C(=O)NC(C)(C)C)cc1C#N ZINC000135348434 284472703 /nfs/dbraw/zinc/47/27/03/284472703.db2.gz UEHPMFCSTWFPGF-LLVKDONJSA-N 0 0 306.431 3.103 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)[C@@H](C)CC(=C)C ZINC000274342894 211528993 /nfs/dbraw/zinc/52/89/93/211528993.db2.gz LKFHNRXHFHNXJI-XHSDSOJGSA-N 0 0 308.466 3.154 10 30 DGEERN C#CCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 ZINC000040205731 183045625 /nfs/dbraw/zinc/04/56/25/183045625.db2.gz IKXUIIHZMUNMMQ-UHFFFAOYSA-N 0 0 317.392 3.032 10 30 DGEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040306779 183053460 /nfs/dbraw/zinc/05/34/60/183053460.db2.gz BGHWMGMJAADBIH-UHFFFAOYSA-N 0 0 305.381 3.314 10 30 DGEERN C=CCNc1ncnc(Nc2ccc(OCC)cc2)c1[N+](=O)[O-] ZINC000040598774 183108115 /nfs/dbraw/zinc/10/81/15/183108115.db2.gz ZKTQDTJVVJDSGJ-UHFFFAOYSA-N 0 0 315.333 3.125 10 30 DGEERN COc1cc(OC)c(N=C2NC(=N)c3ccccc32)cc1Cl ZINC000040802671 183136331 /nfs/dbraw/zinc/13/63/31/183136331.db2.gz ACXLIXUPTIWTBS-UHFFFAOYSA-N 0 0 315.760 3.154 10 30 DGEERN C=CCNC(=O)/C=C/c1cc(Br)ccc1OCC ZINC000040890626 183146613 /nfs/dbraw/zinc/14/66/13/183146613.db2.gz OFKIJJXVYMFOSW-VMPITWQZSA-N 0 0 310.191 3.163 10 30 DGEERN Cc1c(CS(C)(=O)=O)cccc1NCC#Cc1ccccc1 ZINC000190375784 432149805 /nfs/dbraw/zinc/14/98/05/432149805.db2.gz XBVNJJNYMYQNED-UHFFFAOYSA-N 0 0 313.422 3.003 10 30 DGEERN C[C@H](C#N)CN(C)c1c(N)cnc2ccc(Br)cc21 ZINC000042455238 183272029 /nfs/dbraw/zinc/27/20/29/183272029.db2.gz BHCYFLYHSGXDES-SECBINFHSA-N 0 0 319.206 3.175 10 30 DGEERN COc1ccc(CSCc2nc([C@H](C)OC)no2)cc1C#N ZINC000161697769 284718385 /nfs/dbraw/zinc/71/83/85/284718385.db2.gz ICMRXJDSLRBXAV-JTQLQIEISA-N 0 0 319.386 3.091 10 30 DGEERN CCCN(CCc1ccccn1)C(=O)NCc1cccc(C#N)c1 ZINC000105119825 194075705 /nfs/dbraw/zinc/07/57/05/194075705.db2.gz FKKNYYLLRCVMNE-UHFFFAOYSA-N 0 0 322.412 3.118 10 30 DGEERN N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)nc1 ZINC000110287718 194320344 /nfs/dbraw/zinc/32/03/44/194320344.db2.gz DVYBFJZJPVWWPI-UHFFFAOYSA-N 0 0 306.300 3.135 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CCC#N ZINC000060617839 184152986 /nfs/dbraw/zinc/15/29/86/184152986.db2.gz BOKYWRKSCXJMKU-SECBINFHSA-N 0 0 301.173 3.133 10 30 DGEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1Br ZINC000061892124 184192986 /nfs/dbraw/zinc/19/29/86/184192986.db2.gz VYZMJHFZOTZLJO-WCQYABFASA-N 0 0 309.207 3.240 10 30 DGEERN N#Cc1ccc(NCCCNC(=O)c2ccccc2)cc1Cl ZINC000112594960 194488946 /nfs/dbraw/zinc/48/89/46/194488946.db2.gz QJTHZLAMUYLQLC-UHFFFAOYSA-N 0 0 313.788 3.444 10 30 DGEERN N#Cc1ccc(C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000118265642 194880802 /nfs/dbraw/zinc/88/08/02/194880802.db2.gz MUVLDJQDDLJIDJ-UHFFFAOYSA-N 0 0 306.365 3.420 10 30 DGEERN CCN(C(=O)[C@@H]1CCOC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000248866391 285033779 /nfs/dbraw/zinc/03/37/79/285033779.db2.gz NIEXELPPXYCBBB-CKEIUWERSA-N 0 0 300.402 3.140 10 30 DGEERN C=C(C)[C@H](CC(=O)NC1(c2nc(C)cs2)CCC1)OCC ZINC000270013114 208065471 /nfs/dbraw/zinc/06/54/71/208065471.db2.gz BGNKHJBLXHNKKX-ZDUSSCGKSA-N 0 0 308.447 3.318 10 30 DGEERN C[C@]12CN(C(=O)NCc3ccc(C#N)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333821517 252973873 /nfs/dbraw/zinc/97/38/73/252973873.db2.gz JYKWUJNMNZSQLA-VUHPKUFZSA-N 0 0 309.413 3.136 10 30 DGEERN Cc1csc([C@H]2CN([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249408601 285072924 /nfs/dbraw/zinc/07/29/24/285072924.db2.gz XHNWLXUSNCJSOC-CZUORRHYSA-N 0 0 313.426 3.458 10 30 DGEERN COc1ccc(S[C@H](C)C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436004439 533087772 /nfs/dbraw/zinc/08/77/72/533087772.db2.gz OHKMRHPZLOSDGA-LLVKDONJSA-N 0 0 313.382 3.081 10 30 DGEERN C[C@@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)C1CC1 ZINC000329287150 533096202 /nfs/dbraw/zinc/09/62/02/533096202.db2.gz POLSXPILVINUND-WQAKAFBOSA-N 0 0 305.378 3.170 10 30 DGEERN C=C1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000271287078 208780082 /nfs/dbraw/zinc/78/00/82/208780082.db2.gz OTQVLHAEVZYXDF-UHFFFAOYSA-N 0 0 301.386 3.434 10 30 DGEERN CO[C@H](C)c1nc(CN(C)c2cccc(F)c2C#N)cs1 ZINC000301560687 533123530 /nfs/dbraw/zinc/12/35/30/533123530.db2.gz OPKGZWKRGKQYPU-SNVBAGLBSA-N 0 0 305.378 3.498 10 30 DGEERN N#Cc1cc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)ccc1F ZINC000343696565 254178619 /nfs/dbraw/zinc/17/86/19/254178619.db2.gz YGHDCSBGDVFMOJ-SJLPKXTDSA-N 0 0 314.335 3.144 10 30 DGEERN CCN1C(=O)c2ccccc2N[C@@H]1c1c(F)cc(C#N)cc1F ZINC000195266260 285176913 /nfs/dbraw/zinc/17/69/13/285176913.db2.gz KOFIMUHTNKAVSE-INIZCTEOSA-N 0 0 313.307 3.423 10 30 DGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCOC1 ZINC000171740819 533154864 /nfs/dbraw/zinc/15/48/64/533154864.db2.gz HQPBJQYOQZXSPG-STQMWFEESA-N 0 0 319.430 3.239 10 30 DGEERN CC[C@H](Nc1cnc(C#N)cn1)c1nc(C(F)(F)F)cs1 ZINC000126067035 195806851 /nfs/dbraw/zinc/80/68/51/195806851.db2.gz QDYYSZMEYWDGDK-QMMMGPOBSA-N 0 0 313.308 3.387 10 30 DGEERN COc1ccc2ccccc2c1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000371327220 533339078 /nfs/dbraw/zinc/33/90/78/533339078.db2.gz MKWQTVXIJZSIED-QGZVFWFLSA-N 0 0 321.424 3.021 10 30 DGEERN C[C@@H](CC#N)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000129646638 533395507 /nfs/dbraw/zinc/39/55/07/533395507.db2.gz BMXDCOBGTGJSOO-JTQLQIEISA-N 0 0 324.306 3.489 10 30 DGEERN COc1ccc(CCCNc2ccc(C)c(C#N)n2)cc1OC ZINC000302679645 533476827 /nfs/dbraw/zinc/47/68/27/533476827.db2.gz WCBABABSGXDHON-UHFFFAOYSA-N 0 0 311.385 3.324 10 30 DGEERN C[C@@H](CC(=O)Nc1n[nH]c2cc(F)ccc21)N1CCCCC1=O ZINC000330086150 533499135 /nfs/dbraw/zinc/49/91/35/533499135.db2.gz LZMGRHSEGCPCPD-JTQLQIEISA-N 0 0 318.352 3.081 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C2(CF)CCOCC2)c1 ZINC000448887883 533519618 /nfs/dbraw/zinc/51/96/18/533519618.db2.gz YKQFPVGWJXWTIW-UHFFFAOYSA-N 0 0 307.365 3.346 10 30 DGEERN C[C@@H]1CCCC[C@H]1OCCNC(=O)NCC1CCC(C#N)CC1 ZINC000441006988 533629030 /nfs/dbraw/zinc/62/90/30/533629030.db2.gz GQAZZEDVZZFSRD-RDHHWEPZSA-N 0 0 321.465 3.211 10 30 DGEERN Cc1cc2cccnc2c(NC(=O)N2CCO[C@H]3CCC[C@@H]32)c1 ZINC000328952007 292021401 /nfs/dbraw/zinc/02/14/01/292021401.db2.gz HWPSZLNYRKOEGM-HOTGVXAUSA-N 0 0 311.385 3.342 10 30 DGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000408171592 292046087 /nfs/dbraw/zinc/04/60/87/292046087.db2.gz LHLPUMGSCFMNLX-DYVFJYSZSA-N 0 0 318.442 3.068 10 30 DGEERN C/C(=C/c1cccc(C(F)(F)F)c1)CN1CCO[C@H](C#N)C1 ZINC000584681735 400087425 /nfs/dbraw/zinc/08/74/25/400087425.db2.gz RABBUIPSQCIRQV-WASHYIJTSA-N 0 0 310.319 3.333 10 30 DGEERN Cc1c(Cl)cccc1S(=O)(=O)N(C1CC1)C1(C#N)CCC1 ZINC000616169825 400094703 /nfs/dbraw/zinc/09/47/03/400094703.db2.gz MLZGYEZYNXJUTC-UHFFFAOYSA-N 0 0 324.833 3.248 10 30 DGEERN Cc1ccc(NC(=O)[C@H](C#N)c2ccc3ccccc3n2)cn1 ZINC000616177093 400095372 /nfs/dbraw/zinc/09/53/72/400095372.db2.gz NBUSXEWPGFLWCR-OAHLLOKOSA-N 0 0 302.337 3.184 10 30 DGEERN C=CC(C)(C)CCN[C@@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000600602067 400105573 /nfs/dbraw/zinc/10/55/73/400105573.db2.gz MRPXOEKGGYWMON-MRXNPFEDSA-N 0 0 321.417 3.110 10 30 DGEERN C=C(CC)CNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000616113103 400084881 /nfs/dbraw/zinc/08/48/81/400084881.db2.gz HJEQQZRDKHXBOR-INIZCTEOSA-N 0 0 322.408 3.289 10 30 DGEERN N#Cc1ccsc1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000609567068 400176948 /nfs/dbraw/zinc/17/69/48/400176948.db2.gz SKUZDRUXRYKHSU-UHFFFAOYSA-N 0 0 312.394 3.055 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(O)(CC#Cc2cccs2)CC1 ZINC000616581444 400177139 /nfs/dbraw/zinc/17/71/39/400177139.db2.gz RGYVMEKPXJFUMK-UHFFFAOYSA-N 0 0 321.442 3.252 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccco1 ZINC000328609886 400182530 /nfs/dbraw/zinc/18/25/30/400182530.db2.gz GAZKRTWNTCDXCO-HICWGWBUSA-N 0 0 317.389 3.425 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(CC)CCC(F)(F)CC1 ZINC000616409328 400142644 /nfs/dbraw/zinc/14/26/44/400142644.db2.gz NMWLWERXBCREAT-STQMWFEESA-N 0 0 301.377 3.299 10 30 DGEERN C[C@H](Cc1ccsc1)NC(=O)NCc1ccc(C#N)cc1F ZINC000609240257 400154010 /nfs/dbraw/zinc/15/40/10/400154010.db2.gz XUJCICOSPVMFMO-LLVKDONJSA-N 0 0 317.389 3.189 10 30 DGEERN Cc1cc(NC(=O)NCc2ccc(C#N)cc2F)ccc1F ZINC000609254268 400155240 /nfs/dbraw/zinc/15/52/40/400155240.db2.gz NJQVDYXLZSJBNJ-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN C=CCOc1ccccc1CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000092096154 400155370 /nfs/dbraw/zinc/15/53/70/400155370.db2.gz RNAIGNVQRFXWKQ-YQVWRLOYSA-N 0 0 317.429 3.020 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000609293642 400157441 /nfs/dbraw/zinc/15/74/41/400157441.db2.gz QUVSNBAFOPJWOQ-GOSISDBHSA-N 0 0 323.371 3.493 10 30 DGEERN C=CCCOCC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000588831303 400232397 /nfs/dbraw/zinc/23/23/97/400232397.db2.gz BBSFLWVEXIHOOZ-UHFFFAOYSA-N 0 0 323.299 3.205 10 30 DGEERN C=CCC1(c2nc(-c3coc(CCC)n3)no2)CCOCC1 ZINC000351315926 400247810 /nfs/dbraw/zinc/24/78/10/400247810.db2.gz UNOCFOKVGXVYCM-UHFFFAOYSA-N 0 0 303.362 3.301 10 30 DGEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(C#N)c1 ZINC000610355686 400248289 /nfs/dbraw/zinc/24/82/89/400248289.db2.gz BQOGBYFUVLDCAG-LBPRGKRZSA-N 0 0 322.343 3.129 10 30 DGEERN C=CCC1(c2nc(COCc3ccccc3)no2)CCOCC1 ZINC000351354240 400250121 /nfs/dbraw/zinc/25/01/21/400250121.db2.gz POUXXUPXHKNFNH-UHFFFAOYSA-N 0 0 314.385 3.411 10 30 DGEERN C=CCCOCC(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000588136904 400191138 /nfs/dbraw/zinc/19/11/38/400191138.db2.gz ZWTKZKLJDXGYEI-UHFFFAOYSA-N 0 0 317.429 3.069 10 30 DGEERN COC(=O)C(C)(C)C(C)(C)Nc1snc(Cl)c1C#N ZINC000092674186 400192534 /nfs/dbraw/zinc/19/25/34/400192534.db2.gz MBFMGZNBXYOTLD-UHFFFAOYSA-N 0 0 301.799 3.058 10 30 DGEERN COc1ccc(C[C@H](C)NC(=O)CCCCCC#N)cc1OC ZINC000588157309 400193255 /nfs/dbraw/zinc/19/32/55/400193255.db2.gz DHIMZFQDOYFISH-AWEZNQCLSA-N 0 0 318.417 3.225 10 30 DGEERN N#Cc1ccccc1CSCCNC(=O)NCCCC1CC1 ZINC000609902691 400201153 /nfs/dbraw/zinc/20/11/53/400201153.db2.gz MYQSQGZNFFMJMS-UHFFFAOYSA-N 0 0 317.458 3.281 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000616698233 400207713 /nfs/dbraw/zinc/20/77/13/400207713.db2.gz ZMBUIPYNINFGGZ-CVEARBPZSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000067868104 400211972 /nfs/dbraw/zinc/21/19/72/400211972.db2.gz URRQRUHDAUSEPT-UHFFFAOYSA-N 0 0 321.302 3.334 10 30 DGEERN N#Cc1nc(N[C@H](CO)c2ccc(Cl)cc2)ccc1Cl ZINC000092961314 400216094 /nfs/dbraw/zinc/21/60/94/400216094.db2.gz MIQPLCSPFOJRFL-CYBMUJFWSA-N 0 0 308.168 3.406 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000610498278 400264544 /nfs/dbraw/zinc/26/45/44/400264544.db2.gz SFEJVMLVIOZFTR-XSLAGTTESA-N 0 0 312.413 3.271 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NCc1ccc(Cl)o1 ZINC000601218411 400266023 /nfs/dbraw/zinc/26/60/23/400266023.db2.gz VBLGNFGRZFPPIU-UHFFFAOYSA-N 0 0 320.776 3.497 10 30 DGEERN C[C@H]1c2ccc(F)cc2CCN1C(=O)Cc1cccc(C#N)c1 ZINC000610522311 400271464 /nfs/dbraw/zinc/27/14/64/400271464.db2.gz QKMMJKCWJHGBJP-ZDUSSCGKSA-N 0 0 308.356 3.386 10 30 DGEERN COc1ccc(C(=O)/C=C/c2ccccc2O)c(OC)c1OC ZINC000027547199 400275244 /nfs/dbraw/zinc/27/52/44/400275244.db2.gz VTECDNGKTDACNH-CSKARUKUSA-N 0 0 314.337 3.314 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000617034498 400287061 /nfs/dbraw/zinc/28/70/61/400287061.db2.gz AAJXAEBSVFGHAN-WFASDCNBSA-N 0 0 311.385 3.200 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)c1cccs1 ZINC000617037655 400287613 /nfs/dbraw/zinc/28/76/13/400287613.db2.gz PJZCNRRSQJXVFY-KBPBESRZSA-N 0 0 320.458 3.071 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COc2ccccc2O1 ZINC000617035707 400287944 /nfs/dbraw/zinc/28/79/44/400287944.db2.gz RGOAPKNFAUHRFC-CKEIUWERSA-N 0 0 301.386 3.078 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617036426 400288108 /nfs/dbraw/zinc/28/81/08/400288108.db2.gz ATCKEBWOXNDSDT-RHSMWYFYSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(OC)ccc1OC ZINC000617036667 400288154 /nfs/dbraw/zinc/28/81/54/400288154.db2.gz CRTHMOCRZGALBO-PBHICJAKSA-N 0 0 317.429 3.497 10 30 DGEERN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000097975147 400288152 /nfs/dbraw/zinc/28/81/52/400288152.db2.gz QHTAUDUBRNENFJ-JQZTVVIASA-N 0 0 310.393 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000617039743 400288817 /nfs/dbraw/zinc/28/88/17/400288817.db2.gz LEXRKBASVXMRCD-DGCLKSJQSA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1nnc(C(C)C)o1 ZINC000617039192 400288951 /nfs/dbraw/zinc/28/89/51/400288951.db2.gz DLVZZRQDFBKXMC-UONOGXRCSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000617039035 400289203 /nfs/dbraw/zinc/28/92/03/400289203.db2.gz BCVUDJHQISWQGN-KDOFPFPSSA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000617039760 400289219 /nfs/dbraw/zinc/28/92/19/400289219.db2.gz LQNUPVFRQPYKCM-QBIMZIAESA-N 0 0 317.477 3.467 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617039342 400289262 /nfs/dbraw/zinc/28/92/62/400289262.db2.gz GGIPDQDLAYHLHI-GXTWGEPZSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(OC)cccc1OC ZINC000617040382 400289903 /nfs/dbraw/zinc/28/99/03/400289903.db2.gz TUSLPEDWNHLHJO-HOCLYGCPSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(CCC(C)C)nn1 ZINC000617040504 400290007 /nfs/dbraw/zinc/29/00/07/400290007.db2.gz VENWPPNIJRPWTK-HUUCEWRRSA-N 0 0 304.438 3.189 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC000617040072 400290076 /nfs/dbraw/zinc/29/00/76/400290076.db2.gz PFYWLEZIWLUOGN-RDJZCZTQSA-N 0 0 311.429 3.436 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-n2cccn2)c1 ZINC000617040536 400290174 /nfs/dbraw/zinc/29/01/74/400290174.db2.gz VRDBDCHOQQWIMG-HOCLYGCPSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000617042748 400291230 /nfs/dbraw/zinc/29/12/30/400291230.db2.gz VKHYWYSCSJTXKQ-JQWIXIFHSA-N 0 0 313.323 3.360 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000617043534 400291502 /nfs/dbraw/zinc/29/15/02/400291502.db2.gz BEFYTGWZXXLIFA-DZGCQCFKSA-N 0 0 310.401 3.336 10 30 DGEERN N#Cc1cc(Br)ccc1Cn1cc(C2CC2)cn1 ZINC000402057908 400291632 /nfs/dbraw/zinc/29/16/32/400291632.db2.gz XDEJIAZEEJCXAT-UHFFFAOYSA-N 0 0 302.175 3.443 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CC1CCN(OCC)CC1 ZINC000617043930 400291769 /nfs/dbraw/zinc/29/17/69/400291769.db2.gz GUSINNWGHWCJOV-DLBZAZTESA-N 0 0 308.466 3.291 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(OC)c1 ZINC000617044394 400291817 /nfs/dbraw/zinc/29/18/17/400291817.db2.gz MYGLGHJDRQRDGH-HUUCEWRRSA-N 0 0 303.402 3.194 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1scc2c1OCCO2 ZINC000617045227 400291898 /nfs/dbraw/zinc/29/18/98/400291898.db2.gz XVCLJUIIEFQQJP-NEPJUHHUSA-N 0 0 307.415 3.384 10 30 DGEERN C=C1CC(C)(C(=O)N(C)Cc2nc([C@H](C)SCC)no2)C1 ZINC000601338958 400292202 /nfs/dbraw/zinc/29/22/02/400292202.db2.gz OICBUICGXOHWGH-NSHDSACASA-N 0 0 309.435 3.198 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000601497913 400304096 /nfs/dbraw/zinc/30/40/96/400304096.db2.gz HUDZZRGYHXCWMT-UHFFFAOYSA-N 0 0 306.431 3.023 10 30 DGEERN N#CCC(=O)[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000536950316 400314876 /nfs/dbraw/zinc/31/48/76/400314876.db2.gz JERWJNYHTASCHU-JTQLQIEISA-N 0 0 311.168 3.219 10 30 DGEERN C=CCCC1(CNC(=O)c2cccc(NC(N)=O)c2)CCCC1 ZINC000617416265 400384054 /nfs/dbraw/zinc/38/40/54/400384054.db2.gz HZKNBBBRMRSZPD-UHFFFAOYSA-N 0 0 315.417 3.434 10 30 DGEERN C=CCCC1(CNC(=O)CCCCN2CCOCC2)CCCC1 ZINC000617416252 400384539 /nfs/dbraw/zinc/38/45/39/400384539.db2.gz HQENPYSJKBVJNH-UHFFFAOYSA-N 0 0 322.493 3.132 10 30 DGEERN C=CCCC1(CNC(=O)c2cc(C(N)=O)cs2)CCCC1 ZINC000617416498 400384618 /nfs/dbraw/zinc/38/46/18/400384618.db2.gz SUCOUELFDUWUEU-UHFFFAOYSA-N 0 0 306.431 3.103 10 30 DGEERN N=C(Nc1cnc2ccccc2c1N)C(Cl)(Cl)Cl ZINC000034331198 400385106 /nfs/dbraw/zinc/38/51/06/400385106.db2.gz ONCKZQPKKUQSSM-UHFFFAOYSA-N 0 0 303.580 3.176 10 30 DGEERN COC(=O)C[C@@H](CCc1ccc(N)cc1)c1cccc(C#N)c1 ZINC000034465181 400385812 /nfs/dbraw/zinc/38/58/12/400385812.db2.gz PSNAFCBXGKDVRA-QGZVFWFLSA-N 0 0 308.381 3.420 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)Cc2cnn(C)c2)CCCC1 ZINC000617418899 400386400 /nfs/dbraw/zinc/38/64/00/400386400.db2.gz MLNZSWQGUOKYEY-OAHLLOKOSA-N 0 0 303.450 3.242 10 30 DGEERN N#Cc1ccc(NCC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000114438367 400387607 /nfs/dbraw/zinc/38/76/07/400387607.db2.gz OTOMXOJUDCCNQA-LJQANCHMSA-N 0 0 309.413 3.319 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC000578331680 400327667 /nfs/dbraw/zinc/32/76/67/400327667.db2.gz PASKERDTNHAZRE-CYBMUJFWSA-N 0 0 316.405 3.118 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCS[C@@H](C)C1 ZINC000578304113 400327746 /nfs/dbraw/zinc/32/77/46/400327746.db2.gz QNEAJYDHLSDKQB-AWEZNQCLSA-N 0 0 314.458 3.463 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578948316 400333569 /nfs/dbraw/zinc/33/35/69/400333569.db2.gz IKNCRVRJDPEIPG-LRDDRELGSA-N 0 0 303.362 3.143 10 30 DGEERN COc1cccc(C(C)(C)CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000611003345 400337504 /nfs/dbraw/zinc/33/75/04/400337504.db2.gz AWKNJAYJVCWZRS-UHFFFAOYSA-N 0 0 322.408 3.203 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000579672576 400340946 /nfs/dbraw/zinc/34/09/46/400340946.db2.gz ZOPMCULPVUTVEI-UHFFFAOYSA-N 0 0 312.373 3.245 10 30 DGEERN CC[C@@H](C#N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601728980 400341106 /nfs/dbraw/zinc/34/11/06/400341106.db2.gz RXCQCUQZUUUXEB-ROUUACIJSA-N 0 0 313.445 3.097 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OCC)cc1C ZINC000580901047 400348720 /nfs/dbraw/zinc/34/87/20/400348720.db2.gz ILNYGCWLZMYRNO-UHFFFAOYSA-N 0 0 318.417 3.195 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1C)C(=O)OC ZINC000601781834 400348632 /nfs/dbraw/zinc/34/86/32/400348632.db2.gz LMNDLHCNQQQVAQ-OAHLLOKOSA-N 0 0 314.385 3.022 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)OC ZINC000601788263 400349063 /nfs/dbraw/zinc/34/90/63/400349063.db2.gz TVCKXPYCPHNVOZ-CQSZACIVSA-N 0 0 309.793 3.194 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601875633 400368919 /nfs/dbraw/zinc/36/89/19/400368919.db2.gz XJMLKLOIHMXWMA-CABCVRRESA-N 0 0 301.438 3.181 10 30 DGEERN C=C(C)Cn1c(N(C)[C@@H]2CCC[C@H]2C#N)nnc1C(C)(C)C ZINC000601874913 400369051 /nfs/dbraw/zinc/36/90/51/400369051.db2.gz RSFUICPEXCKCAM-UONOGXRCSA-N 0 0 301.438 3.280 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(SC)CC1 ZINC000601874620 400369375 /nfs/dbraw/zinc/36/93/75/400369375.db2.gz OLZQEYGZSRNOLY-UHFFFAOYSA-N 0 0 318.446 3.446 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000617519648 400402681 /nfs/dbraw/zinc/40/26/81/400402681.db2.gz QQJCDKRJOXWYCX-HNNXBMFYSA-N 0 0 301.430 3.330 10 30 DGEERN C=CCCCCNC(=O)C(=O)Nc1ccccc1CCSC ZINC000602034754 400407084 /nfs/dbraw/zinc/40/70/84/400407084.db2.gz KMINUEFSXMXQHU-UHFFFAOYSA-N 0 0 320.458 3.003 10 30 DGEERN CC(=O)Nc1cccc(NC(=O)N2CCC(C)(C#N)CC2)c1C ZINC000611556048 400421572 /nfs/dbraw/zinc/42/15/72/400421572.db2.gz QMZKMMNFYGLENN-UHFFFAOYSA-N 0 0 314.389 3.111 10 30 DGEERN C=CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)[C@@H](C)COC ZINC000617577169 400416283 /nfs/dbraw/zinc/41/62/83/400416283.db2.gz JNBYMQLMEALQPH-AWEZNQCLSA-N 0 0 321.465 3.425 10 30 DGEERN Cc1onc(CC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c1C#N ZINC000611527614 400416563 /nfs/dbraw/zinc/41/65/63/400416563.db2.gz FUYSYLLPGSBGDR-RDJZCZTQSA-N 0 0 323.396 3.240 10 30 DGEERN C=CCN(C(=O)c1ccc(-n2cccc2)c(F)c1)[C@@H](C)COC ZINC000617578683 400416851 /nfs/dbraw/zinc/41/68/51/400416851.db2.gz OKRFETQIEIEFQM-AWEZNQCLSA-N 0 0 316.376 3.280 10 30 DGEERN C=CCN(C(=O)c1ccc([C@H]2CCCOC2)cc1)[C@@H](C)COC ZINC000617580980 400418404 /nfs/dbraw/zinc/41/84/04/400418404.db2.gz IWTRGZDDGCVFDH-YJBOKZPZSA-N 0 0 317.429 3.244 10 30 DGEERN C=CCN(C(=O)CO[C@@H]1CCCc2ccccc21)[C@H](C)COC ZINC000617582465 400419255 /nfs/dbraw/zinc/41/92/55/400419255.db2.gz OANVRTUFKOGTLT-CRAIPNDOSA-N 0 0 317.429 3.130 10 30 DGEERN C[C@H](CC(=O)NCc1ccc(C#N)cc1F)C(=O)c1ccccc1 ZINC000602156593 400419510 /nfs/dbraw/zinc/41/95/10/400419510.db2.gz JTQHHYYTXNGKMM-CYBMUJFWSA-N 0 0 324.355 3.223 10 30 DGEERN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1sccc1C#N ZINC000611548752 400419756 /nfs/dbraw/zinc/41/97/56/400419756.db2.gz GFBLMZYRVXSWAU-WPRPVWTQSA-N 0 0 302.321 3.423 10 30 DGEERN C=CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC ZINC000611547756 400419880 /nfs/dbraw/zinc/41/98/80/400419880.db2.gz SQNWGFCQKAGMDX-UHFFFAOYSA-N 0 0 324.402 3.029 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(C)CC[C@H](C)C1(C)C ZINC000617663487 400439267 /nfs/dbraw/zinc/43/92/67/400439267.db2.gz WBLYCKAEDWGYDD-YEWWUXTCSA-N 0 0 308.466 3.036 10 30 DGEERN C[C@@H]1C[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)O1 ZINC000602332687 400440661 /nfs/dbraw/zinc/44/06/61/400440661.db2.gz MCCMRNWHEYDOAO-LNLATYFQSA-N 0 0 323.190 3.073 10 30 DGEERN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC[C@@](C)(C#N)C1 ZINC000612167017 400503787 /nfs/dbraw/zinc/50/37/87/400503787.db2.gz ZGYSJRYFKRQBLC-ZBFHGGJFSA-N 0 0 324.783 3.319 10 30 DGEERN C[C@@H](NCc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000612204193 400507327 /nfs/dbraw/zinc/50/73/27/400507327.db2.gz OJTMYPALSOGLDF-GFCCVEGCSA-N 0 0 308.360 3.435 10 30 DGEERN C[C@]1(C#N)CCCN(C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000612036487 400476540 /nfs/dbraw/zinc/47/65/40/400476540.db2.gz 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/nfs/dbraw/zinc/53/26/30/400532630.db2.gz VMZFCOOVSKMZHQ-IBGZPJMESA-N 0 0 323.396 3.025 10 30 DGEERN C=CCC1(NC(=O)c2coc3cc(F)ccc32)CCOCC1 ZINC000618251039 400551797 /nfs/dbraw/zinc/55/17/97/400551797.db2.gz ZHAMOYVSJCQZCQ-UHFFFAOYSA-N 0 0 303.333 3.427 10 30 DGEERN C=CCC1(NC(=O)c2ccc(OC)c(Cl)c2)CCOCC1 ZINC000618251280 400552411 /nfs/dbraw/zinc/55/24/11/400552411.db2.gz GSONSJCQCWINMP-UHFFFAOYSA-N 0 0 309.793 3.204 10 30 DGEERN C=C(C)C[C@H](NCc1cc2cc(Cl)cnc2o1)C(=O)OC ZINC000602732772 400555828 /nfs/dbraw/zinc/55/58/28/400555828.db2.gz DLBGLZUGNQAQMW-ZDUSSCGKSA-N 0 0 308.765 3.079 10 30 DGEERN C=C(C)C[C@@H](NCc1cc(Cl)cc2cccnc21)C(=O)OC ZINC000602734443 400557324 /nfs/dbraw/zinc/55/73/24/400557324.db2.gz OJVKVZKDVNFZIO-OAHLLOKOSA-N 0 0 318.804 3.486 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000618293875 400564308 /nfs/dbraw/zinc/56/43/08/400564308.db2.gz BHUPSMZWOSPQOM-GOSISDBHSA-N 0 0 317.454 3.342 10 30 DGEERN CC=C=CC(=O)c1ncc(Br)cc1Br ZINC000133069113 400567083 /nfs/dbraw/zinc/56/70/83/400567083.db2.gz OUGBUAJQDJRTAG-UHFFFAOYSA-N 0 0 316.980 3.203 10 30 DGEERN CC1(C)NC(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=N ZINC000140161867 400615261 /nfs/dbraw/zinc/61/52/61/400615261.db2.gz JLAGEYBQRVXIPE-UHFFFAOYSA-N 0 0 312.320 3.027 10 30 DGEERN C#Cc1cccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 ZINC000142046590 400628874 /nfs/dbraw/zinc/62/88/74/400628874.db2.gz YLUIFKUBIMEQBY-INIZCTEOSA-N 0 0 322.389 3.110 10 30 DGEERN C=CC1CCN(c2nnc([C@]3(C)CCCO3)n2CC2CC2)CC1 ZINC000612941225 400629335 /nfs/dbraw/zinc/62/93/35/400629335.db2.gz OOSPTCFQQQJMMX-SFHVURJKSA-N 0 0 316.449 3.116 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)sc2C)C1 ZINC000603041124 400630296 /nfs/dbraw/zinc/63/02/96/400630296.db2.gz ZOIQGZOEYCKZBO-LLVKDONJSA-N 0 0 308.403 3.273 10 30 DGEERN C=CC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC2CC2)C1 ZINC000612949029 400631729 /nfs/dbraw/zinc/63/17/29/400631729.db2.gz KYNOTUSTVGUVAR-GOEBONIOSA-N 0 0 316.449 3.332 10 30 DGEERN C=C1CCN(c2nnc([C@H]3CCCS3)n2CC2CC2)CC1 ZINC000612960518 400633929 /nfs/dbraw/zinc/63/39/29/400633929.db2.gz FFCNGKQYOTXBBS-CQSZACIVSA-N 0 0 304.463 3.413 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@@]1(C)CC1(F)F ZINC000618595616 400637153 /nfs/dbraw/zinc/63/71/53/400637153.db2.gz OQCSFIIZRSJQQW-OAHLLOKOSA-N 0 0 311.328 3.035 10 30 DGEERN CCO[C@@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)[C@]12CCCO2 ZINC000612664325 400583158 /nfs/dbraw/zinc/58/31/58/400583158.db2.gz GOPXXAOMODIPCP-ZHALLVOQSA-N 0 0 323.396 3.245 10 30 DGEERN Cc1ccc(C(=O)CCC(=O)NCc2ccc(C#N)cc2)cc1C ZINC000046875116 400585114 /nfs/dbraw/zinc/58/51/14/400585114.db2.gz FRAAKKJBEYTGCL-UHFFFAOYSA-N 0 0 320.392 3.454 10 30 DGEERN N#CCn1c(-c2nc(-c3cncs3)no2)cc2ccccc21 ZINC000618421766 400588901 /nfs/dbraw/zinc/58/89/01/400588901.db2.gz HGHARVMGMDRFBY-UHFFFAOYSA-N 0 0 307.338 3.338 10 30 DGEERN C=CCCCCNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592010361 400596367 /nfs/dbraw/zinc/59/63/67/400596367.db2.gz JMVKPOXDWQJFRU-UHFFFAOYSA-N 0 0 324.465 3.496 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000612760434 400597679 /nfs/dbraw/zinc/59/76/79/400597679.db2.gz VRKBFSAQMHTCPI-MRXNPFEDSA-N 0 0 318.417 3.233 10 30 DGEERN C=CCN(CCC#N)S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592053331 400600497 /nfs/dbraw/zinc/60/04/97/400600497.db2.gz BLFWOPFIMXVIGI-UHFFFAOYSA-N 0 0 320.439 3.300 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592126523 400609944 /nfs/dbraw/zinc/60/99/44/400609944.db2.gz WQGOAUUBDVXKFU-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000618524371 400610746 /nfs/dbraw/zinc/61/07/46/400610746.db2.gz CQEKPKFXROLSHR-HNNXBMFYSA-N 0 0 313.397 3.316 10 30 DGEERN N#CC1CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC1 ZINC000146870304 400649775 /nfs/dbraw/zinc/64/97/75/400649775.db2.gz DRWJJFUSELVHLV-UHFFFAOYSA-N 0 0 305.740 3.336 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603151363 400650131 /nfs/dbraw/zinc/65/01/31/400650131.db2.gz QQCZMYYYCHTASP-KRWDZBQOSA-N 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CFEDPAPKAGVCNJ-CYBMUJFWSA-N 0 0 321.380 3.032 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000076853954 400676950 /nfs/dbraw/zinc/67/69/50/400676950.db2.gz UKIMVSPPZVPKNT-UHFFFAOYSA-N 0 0 321.364 3.433 10 30 DGEERN C=CCCCN(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000076953859 400681643 /nfs/dbraw/zinc/68/16/43/400681643.db2.gz VJXQENCOCGFUKO-UHFFFAOYSA-N 0 0 318.417 3.301 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000613430419 400718495 /nfs/dbraw/zinc/71/84/95/400718495.db2.gz NRKKIIGONHDBRU-KRWDZBQOSA-N 0 0 315.373 3.252 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000077604157 400730716 /nfs/dbraw/zinc/73/07/16/400730716.db2.gz CAAHFBGTVRCREW-INIZCTEOSA-N 0 0 319.424 3.402 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000613548883 400746850 /nfs/dbraw/zinc/74/68/50/400746850.db2.gz YARSPLLHXNQAKP-WBVHZDCISA-N 0 0 320.477 3.276 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000613548882 400747431 /nfs/dbraw/zinc/74/74/31/400747431.db2.gz YARSPLLHXNQAKP-RDJZCZTQSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C)nc2C)cc1 ZINC000051034367 400693529 /nfs/dbraw/zinc/69/35/29/400693529.db2.gz CMFIIYQSHQLAQQ-UHFFFAOYSA-N 0 0 324.384 3.258 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1csc2ccccc12 ZINC000613322074 400698057 /nfs/dbraw/zinc/69/80/57/400698057.db2.gz CGPRJAYRFNEYEJ-ZDUSSCGKSA-N 0 0 302.399 3.311 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618851998 400701387 /nfs/dbraw/zinc/70/13/87/400701387.db2.gz RRJZQLGTSHVNIA-SFHVURJKSA-N 0 0 312.413 3.446 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000077270514 400703768 /nfs/dbraw/zinc/70/37/68/400703768.db2.gz RZHWAMYWPXGFOO-UHFFFAOYSA-N 0 0 317.311 3.453 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(Br)ccc1OC ZINC000156769017 400712862 /nfs/dbraw/zinc/71/28/62/400712862.db2.gz AINHRTJRFDTCOE-UHFFFAOYSA-N 0 0 312.207 3.496 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2ccc3nccn3c2)cc1OC ZINC000603808910 400717100 /nfs/dbraw/zinc/71/71/00/400717100.db2.gz LZANNWSSFRAEJW-UHFFFAOYSA-N 0 0 323.352 3.160 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC000077437740 400717513 /nfs/dbraw/zinc/71/75/13/400717513.db2.gz UHZSEPIESXDACK-UHFFFAOYSA-N 0 0 316.405 3.113 10 30 DGEERN CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000078520375 400806522 /nfs/dbraw/zinc/80/65/22/400806522.db2.gz HXCQTHRSOXRFPA-CYBMUJFWSA-N 0 0 313.361 3.380 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000619097778 400765197 /nfs/dbraw/zinc/76/51/97/400765197.db2.gz QFMQWLFWEACOKL-RBSFLKMASA-N 0 0 309.450 3.210 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000619097772 400765306 /nfs/dbraw/zinc/76/53/06/400765306.db2.gz QFMQWLFWEACOKL-KFWWJZLASA-N 0 0 309.450 3.210 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000619101243 400766393 /nfs/dbraw/zinc/76/63/93/400766393.db2.gz FQWWKYLEUFDTGL-RVKKMQEKSA-N 0 0 323.477 3.458 10 30 DGEERN CCn1nc(CNCc2ccc(C#N)cc2F)c2ccccc21 ZINC000613657139 400770458 /nfs/dbraw/zinc/77/04/58/400770458.db2.gz VERJNYYXRNECNP-UHFFFAOYSA-N 0 0 308.360 3.357 10 30 DGEERN C=C(C)CNC(=O)CCc1ccc(OC)cc1Br ZINC000613666035 400771927 /nfs/dbraw/zinc/77/19/27/400771927.db2.gz WHWUNRPOOQAOJA-UHFFFAOYSA-N 0 0 312.207 3.083 10 30 DGEERN CO[C@@H](C)c1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000171073706 400785371 /nfs/dbraw/zinc/78/53/71/400785371.db2.gz MEKCIJGGCFEZGX-ZDUSSCGKSA-N 0 0 309.369 3.316 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)CCOCC1 ZINC000619177440 400790672 /nfs/dbraw/zinc/79/06/72/400790672.db2.gz GLIFIYQCFFFYMS-IRXDYDNUSA-N 0 0 321.461 3.167 10 30 DGEERN C[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000614300266 400873347 /nfs/dbraw/zinc/87/33/47/400873347.db2.gz CBJBAGWBLNKECR-BLLLJJGKSA-N 0 0 310.353 3.470 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593586998 400877092 /nfs/dbraw/zinc/87/70/92/400877092.db2.gz BGFYTIZGGVPHOS-OAHLLOKOSA-N 0 0 318.442 3.217 10 30 DGEERN C=C[C@H](CC(=O)NCCc1c(C)nn(C)c1C)c1ccccc1 ZINC000179505987 400878593 /nfs/dbraw/zinc/87/85/93/400878593.db2.gz WWEAJTZVKVTQCF-MRXNPFEDSA-N 0 0 311.429 3.056 10 30 DGEERN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000619658558 400879136 /nfs/dbraw/zinc/87/91/36/400879136.db2.gz JRLASBJRKDPXIZ-WNQHEHQFSA-N 0 0 311.429 3.346 10 30 DGEERN C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000619658554 400879379 /nfs/dbraw/zinc/87/93/79/400879379.db2.gz JRLASBJRKDPXIZ-IUSFWMAGSA-N 0 0 311.429 3.346 10 30 DGEERN N#CC1CCC(CNC(=O)CNc2ccccc2Cl)CC1 ZINC000619674625 400881890 /nfs/dbraw/zinc/88/18/90/400881890.db2.gz MRQFQMWTTOHYOC-UHFFFAOYSA-N 0 0 305.809 3.198 10 30 DGEERN C=CCC[C@@H](NCc1nsc(N(C)C)n1)c1ccccc1 ZINC000180047039 400882174 /nfs/dbraw/zinc/88/21/74/400882174.db2.gz NGDQTOUCBHGTEX-CQSZACIVSA-N 0 0 302.447 3.401 10 30 DGEERN N#CCCCCNC(=O)NCc1ccccc1OC1CCC1 ZINC000172433836 400825972 /nfs/dbraw/zinc/82/59/72/400825972.db2.gz BXSQDGGVOZHBPI-UHFFFAOYSA-N 0 0 301.390 3.111 10 30 DGEERN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000180664963 400885680 /nfs/dbraw/zinc/88/56/80/400885680.db2.gz QMWULULLFIVUSD-CABCVRRESA-N 0 0 306.793 3.162 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000180835433 400885714 /nfs/dbraw/zinc/88/57/14/400885714.db2.gz RIIQZCOUGVIGQF-QWHCGFSZSA-N 0 0 306.454 3.012 10 30 DGEERN C[C@H]1Cc2ccccc2N1C1CCN(c2ccncc2C#N)CC1 ZINC000614122087 400840627 /nfs/dbraw/zinc/84/06/27/400840627.db2.gz DRTFORFRDQLXQC-HNNXBMFYSA-N 0 0 318.424 3.373 10 30 DGEERN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(C#N)cc1F)O2 ZINC000619434936 400848153 /nfs/dbraw/zinc/84/81/53/400848153.db2.gz QLGLOEBRVDQIFA-GOSISDBHSA-N 0 0 324.355 3.016 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(F)(F)CC1 ZINC000619457249 400850525 /nfs/dbraw/zinc/85/05/25/400850525.db2.gz ROWVHYYSEMIQPU-OAHLLOKOSA-N 0 0 322.355 3.219 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000614729436 400937815 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C=CC[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000628482823 401605760 /nfs/dbraw/zinc/60/57/60/401605760.db2.gz ZDPATTKMMPULRL-ZDUSSCGKSA-N 0 0 308.219 3.416 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000628482478 401605973 /nfs/dbraw/zinc/60/59/73/401605973.db2.gz PYQMFIFFSXQRTG-LLVKDONJSA-N 0 0 311.328 3.335 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633020734 401646385 /nfs/dbraw/zinc/64/63/85/401646385.db2.gz SGXRMRLTHUSNIP-GXFFZTMASA-N 0 0 316.323 3.003 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000628485371 401606252 /nfs/dbraw/zinc/60/62/52/401606252.db2.gz JLLRMBGPJJUMNU-GOSISDBHSA-N 0 0 323.440 3.456 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000628485047 401606305 /nfs/dbraw/zinc/60/63/05/401606305.db2.gz AXQYVVQVYLJMNM-CQSZACIVSA-N 0 0 313.376 3.358 10 30 DGEERN C=CCC1(NS(=O)(=O)C[C@@H]2CCC2(F)F)CCCCC1 ZINC000632416799 401606337 /nfs/dbraw/zinc/60/63/37/401606337.db2.gz FKDLVZBUBUCZDN-LBPRGKRZSA-N 0 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/nfs/dbraw/zinc/61/27/44/401612744.db2.gz WJNSNZQWRDAMCJ-UHFFFAOYSA-N 0 0 322.430 3.036 10 30 DGEERN C=C1CC(C)(C(=O)N2CCCN(c3ccccc3F)CC2)C1 ZINC000633051958 401647323 /nfs/dbraw/zinc/64/73/23/401647323.db2.gz KLNHDOCRLJMODJ-UHFFFAOYSA-N 0 0 302.393 3.221 10 30 DGEERN CO[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1C ZINC000299916582 286074569 /nfs/dbraw/zinc/07/45/69/286074569.db2.gz HLAPZSXZIVRZIR-YGRLFVJLSA-N 0 0 309.207 3.182 10 30 DGEERN CO[C@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1C ZINC000230248804 286074818 /nfs/dbraw/zinc/07/48/18/286074818.db2.gz QGHPNTRRJZLHQK-HZMBPMFUSA-N 0 0 309.207 3.182 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1 ZINC000624368812 401655805 /nfs/dbraw/zinc/65/58/05/401655805.db2.gz YMCGKTWLBXDHDL-NJAFHUGGSA-N 0 0 314.429 3.167 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cccnc1N1CCCC1 ZINC000624340649 401653624 /nfs/dbraw/zinc/65/36/24/401653624.db2.gz FBMCYBISCDKRBP-UHFFFAOYSA-N 0 0 316.449 3.083 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000633210910 401660924 /nfs/dbraw/zinc/66/09/24/401660924.db2.gz VFSRMQGGZANFHE-IMJJTQAJSA-N 0 0 324.371 3.117 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000624465155 401662976 /nfs/dbraw/zinc/66/29/76/401662976.db2.gz GIICJUVVIRGQOP-CQSZACIVSA-N 0 0 308.447 3.433 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000624466067 401663073 /nfs/dbraw/zinc/66/30/73/401663073.db2.gz HAONHKUZGLUMPV-UHFFFAOYSA-N 0 0 317.433 3.089 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCN(c2ccccc2)CC1 ZINC000624469968 401663507 /nfs/dbraw/zinc/66/35/07/401663507.db2.gz HTCCKFBZOPRKQF-UHFFFAOYSA-N 0 0 301.434 3.121 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000624726275 401685621 /nfs/dbraw/zinc/68/56/21/401685621.db2.gz MIIPECXOLLKUII-MRXNPFEDSA-N 0 0 306.365 3.460 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000633282654 401669338 /nfs/dbraw/zinc/66/93/38/401669338.db2.gz IDSTWFNGNZMBKN-IPYPFGDCSA-N 0 0 304.390 3.106 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@@H](C)Cc1c(C)nn(COCC)c1C ZINC000633306175 401671385 /nfs/dbraw/zinc/67/13/85/401671385.db2.gz HLJZNODLTLBWIE-ZDUSSCGKSA-N 0 0 321.465 3.001 10 30 DGEERN C=CCCn1cc(COc2ccc(CCOC)cc2Cl)nn1 ZINC000629411001 401684183 /nfs/dbraw/zinc/68/41/83/401684183.db2.gz FCECDICOOKHUFC-UHFFFAOYSA-N 0 0 321.808 3.276 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCNC2=O)C12CCCC2 ZINC000330301510 286313672 /nfs/dbraw/zinc/31/36/72/286313672.db2.gz JAPIJOMKIOGSDH-WOSRLPQWSA-N 0 0 308.422 3.437 10 30 DGEERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000407960258 165940560 /nfs/dbraw/zinc/94/05/60/165940560.db2.gz ZFTIEWRUGWSCOU-KFWWJZLASA-N 0 0 322.412 3.251 10 30 DGEERN C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000068839147 164557115 /nfs/dbraw/zinc/55/71/15/164557115.db2.gz FJHWFIADDDXMKD-NSHDSACASA-N 0 0 312.822 3.022 10 30 DGEERN N#Cc1ccsc1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000172707518 164665796 /nfs/dbraw/zinc/66/57/96/164665796.db2.gz AREDHVLJDQOGGN-UHFFFAOYSA-N 0 0 312.379 3.391 10 30 DGEERN N#Cc1cnccc1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000364906704 287074042 /nfs/dbraw/zinc/07/40/42/287074042.db2.gz AKZDHHFRXSTOQH-CYBMUJFWSA-N 0 0 304.353 3.478 10 30 DGEERN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176187539 164776313 /nfs/dbraw/zinc/77/63/13/164776313.db2.gz JFEUCUWHDOKVOG-LRDDRELGSA-N 0 0 311.360 3.259 10 30 DGEERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000178034798 164823208 /nfs/dbraw/zinc/82/32/08/164823208.db2.gz RLURZKNFAIAVAK-XNRPHZJLSA-N 0 0 318.442 3.116 10 30 DGEERN CN(C)c1nc(CSCc2ccc(C#N)cc2F)ns1 ZINC000180725854 164892712 /nfs/dbraw/zinc/89/27/12/164892712.db2.gz HXUORFKWVQTOFI-UHFFFAOYSA-N 0 0 308.407 3.048 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)nc1C ZINC000185373459 165003245 /nfs/dbraw/zinc/00/32/45/165003245.db2.gz JDYKATJBPIJZGN-UHFFFAOYSA-N 0 0 303.369 3.185 10 30 DGEERN Cc1cc(F)ccc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185842929 165019046 /nfs/dbraw/zinc/01/90/46/165019046.db2.gz QDTBVTHSCRNRHK-UHFFFAOYSA-N 0 0 307.332 3.199 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc(C#N)c1 ZINC000185998844 165023853 /nfs/dbraw/zinc/02/38/53/165023853.db2.gz YEZLALUUVOHRET-CYBMUJFWSA-N 0 0 314.352 3.184 10 30 DGEERN N#Cc1ccccc1Cn1cccc1CN1CCOC[C@@H]1C1CC1 ZINC000187364236 165087216 /nfs/dbraw/zinc/08/72/16/165087216.db2.gz YIYCLRUQWBBRND-HXUWFJFHSA-N 0 0 321.424 3.019 10 30 DGEERN CCO[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCC2 ZINC000187349384 165087813 /nfs/dbraw/zinc/08/78/13/165087813.db2.gz FZWXROQNBKPRII-IAGOWNOFSA-N 0 0 324.424 3.054 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)c(F)c1 ZINC000188023694 165108375 /nfs/dbraw/zinc/10/83/75/165108375.db2.gz PUIWSDTUMGTSJO-UHFFFAOYSA-N 0 0 317.327 3.184 10 30 DGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C#N)cc1C ZINC000189947166 165182092 /nfs/dbraw/zinc/18/20/92/165182092.db2.gz UMKHNPCYSUXBCF-KRWDZBQOSA-N 0 0 306.365 3.429 10 30 DGEERN COc1cccc(C[S@](=O)Cc2ccc(C#N)c(F)c2)c1 ZINC000190755799 165214605 /nfs/dbraw/zinc/21/46/05/165214605.db2.gz YBIGXOHQBAFEBH-NRFANRHFSA-N 0 0 303.358 3.155 10 30 DGEERN Cc1ccccc1CS(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000190882048 165219529 /nfs/dbraw/zinc/21/95/29/165219529.db2.gz MOVCDSBRWASIBL-UHFFFAOYSA-N 0 0 303.358 3.121 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000192070022 165281629 /nfs/dbraw/zinc/28/16/29/165281629.db2.gz RWQDOPFXUYEJNB-MRXNPFEDSA-N 0 0 302.374 3.332 10 30 DGEERN Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1Br ZINC000192515301 165294823 /nfs/dbraw/zinc/29/48/23/165294823.db2.gz ZSRKJEYBQWZPGK-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CCN(C(=O)c1ccnc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000192858731 165307319 /nfs/dbraw/zinc/30/73/19/165307319.db2.gz AKCDYDVHZPSODO-CYBMUJFWSA-N 0 0 304.353 3.048 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000193323079 165322917 /nfs/dbraw/zinc/32/29/17/165322917.db2.gz JKYJDICKCDNPJM-GFCCVEGCSA-N 0 0 318.336 3.099 10 30 DGEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)nn1-c1ccc(C)cc1 ZINC000193758392 165331447 /nfs/dbraw/zinc/33/14/47/165331447.db2.gz DFDRMGQSALOLOH-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)ccn1 ZINC000193784086 165331878 /nfs/dbraw/zinc/33/18/78/165331878.db2.gz AAOJEZDWBROFQW-UHFFFAOYSA-N 0 0 323.686 3.460 10 30 DGEERN N#Cc1ccccc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510287 165372079 /nfs/dbraw/zinc/37/20/79/165372079.db2.gz JENDIUMTCAWGRU-KRWDZBQOSA-N 0 0 321.428 3.213 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000129081282 196017179 /nfs/dbraw/zinc/01/71/79/196017179.db2.gz JIYXFGUVYNXLGO-IAGOWNOFSA-N 0 0 310.397 3.231 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(F)cc1 ZINC000129292057 196036373 /nfs/dbraw/zinc/03/63/73/196036373.db2.gz WFFLFKUNBTWNSL-UHFFFAOYSA-N 0 0 322.343 3.343 10 30 DGEERN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)C3CC3)c12 ZINC000171722983 432165514 /nfs/dbraw/zinc/16/55/14/432165514.db2.gz SROGAFAQEZGHTF-OAHLLOKOSA-N 0 0 324.384 3.085 10 30 DGEERN C#CCCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000190532145 432168395 /nfs/dbraw/zinc/16/83/95/432168395.db2.gz GLRHUKMBSUMLGT-UHFFFAOYSA-N 0 0 311.135 3.099 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CCC1 ZINC000190662789 432180358 /nfs/dbraw/zinc/18/03/58/432180358.db2.gz NEHPILVKJGTJRB-ZDUSSCGKSA-N 0 0 301.386 3.381 10 30 DGEERN COc1ccc(CSC[C@H]2CC3(CCC3)C(=O)O2)cc1C#N ZINC000190990007 432208846 /nfs/dbraw/zinc/20/88/46/432208846.db2.gz BMVDKHNFENREPV-CQSZACIVSA-N 0 0 317.410 3.286 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000182669633 432215439 /nfs/dbraw/zinc/21/54/39/432215439.db2.gz DMOJPUGSYDEQGQ-UHFFFAOYSA-N 0 0 324.384 3.048 10 30 DGEERN Cc1cc(F)ccc1CS(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000190951341 432205557 /nfs/dbraw/zinc/20/55/57/432205557.db2.gz QWHVPEVPIZSVNN-UHFFFAOYSA-N 0 0 321.348 3.260 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)c1c(F)cc(C#N)cc1F ZINC000133929454 196346794 /nfs/dbraw/zinc/34/67/94/196346794.db2.gz RODGSVFHXLQFNE-ZDUSSCGKSA-N 0 0 322.355 3.258 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2sccc2C#N)C12CCCC2 ZINC000134020233 196354449 /nfs/dbraw/zinc/35/44/49/196354449.db2.gz DXPMGXRFRAOCOZ-UONOGXRCSA-N 0 0 318.442 3.430 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000134109439 196362502 /nfs/dbraw/zinc/36/25/02/196362502.db2.gz QEERSOXKWLZTAG-DLBZAZTESA-N 0 0 312.413 3.368 10 30 DGEERN CC(C)CC1(CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000134177766 196368865 /nfs/dbraw/zinc/36/88/65/196368865.db2.gz QCTALAJFEXZKHM-CQSZACIVSA-N 0 0 300.402 3.268 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290681513 335074585 /nfs/dbraw/zinc/07/45/85/335074585.db2.gz PFMNSBOBHCTHIA-BEFAXECRSA-N 0 0 319.420 3.182 10 30 DGEERN C[C@H](NS(=O)(=O)CCCCC#N)c1ccc(F)c(Cl)c1 ZINC000068899731 226818825 /nfs/dbraw/zinc/81/88/25/226818825.db2.gz LBTZCBSFKZTEEJ-JTQLQIEISA-N 0 0 318.801 3.153 10 30 DGEERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108827373 226913922 /nfs/dbraw/zinc/91/39/22/226913922.db2.gz SIMIFQZQPWLRDC-SDBXPKJASA-N 0 0 313.184 3.179 10 30 DGEERN Cc1ccc(Br)c(C(=O)NC2(C#N)CCCC2)c1 ZINC000130467919 227021450 /nfs/dbraw/zinc/02/14/50/227021450.db2.gz PBZLKXKGRWYHDP-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN N#CCCCOc1cccc(NC(=O)[C@H]2CCCc3n[nH]cc32)c1 ZINC000133196912 227035822 /nfs/dbraw/zinc/03/58/22/227035822.db2.gz JMZUHNFVBMVRMN-HNNXBMFYSA-N 0 0 324.384 3.151 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000160088138 228244635 /nfs/dbraw/zinc/24/46/35/228244635.db2.gz OXHSLZYDRLCRJN-UHFFFAOYSA-N 0 0 312.344 3.157 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1nc2ccccc2s1 ZINC000160452625 228247648 /nfs/dbraw/zinc/24/76/48/228247648.db2.gz BCEDJSUQCNVFGY-UHFFFAOYSA-N 0 0 307.378 3.406 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCN1CCc2ccccc21 ZINC000160898883 228248949 /nfs/dbraw/zinc/24/89/49/228248949.db2.gz PYDXACAHGWDCNZ-UHFFFAOYSA-N 0 0 319.408 3.049 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C#N)C2CCCCC2)s1 ZINC000177061092 228324017 /nfs/dbraw/zinc/32/40/17/228324017.db2.gz VTQWVWDANLIFJT-DGCLKSJQSA-N 0 0 321.446 3.361 10 30 DGEERN CN(C(=O)c1cc(C#N)cn1C)c1cc(Cl)cc(Cl)c1 ZINC000177364570 228329984 /nfs/dbraw/zinc/32/99/84/228329984.db2.gz DOIQXJMZIMJDTD-UHFFFAOYSA-N 0 0 308.168 3.480 10 30 DGEERN COCc1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000181392193 228361540 /nfs/dbraw/zinc/36/15/40/228361540.db2.gz BDKMHJINLLBPQY-LLVKDONJSA-N 0 0 311.366 3.261 10 30 DGEERN C[C@H]1CCC[C@](C#N)(NC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000182461269 228368126 /nfs/dbraw/zinc/36/81/26/228368126.db2.gz XPHUKXAGKLSZRO-ZBEGNZNMSA-N 0 0 306.793 3.177 10 30 DGEERN N#C[C@H](NC(=O)Cc1ccc(O)cc1Cl)C1CCCCC1 ZINC000182559052 228368538 /nfs/dbraw/zinc/36/85/38/228368538.db2.gz OLMCNXWOHCKLOF-HNNXBMFYSA-N 0 0 306.793 3.177 10 30 DGEERN Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000188394259 228458728 /nfs/dbraw/zinc/45/87/28/228458728.db2.gz HKKPYCNZNITQNR-UHFFFAOYSA-N 0 0 320.396 3.450 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000189095071 228476571 /nfs/dbraw/zinc/47/65/71/228476571.db2.gz XVQZQJRTTXVVCI-SJCJKPOMSA-N 0 0 303.406 3.384 10 30 DGEERN C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCO1 ZINC000193046741 228562816 /nfs/dbraw/zinc/56/28/16/228562816.db2.gz ZZPDDNCHGMPKHV-WFASDCNBSA-N 0 0 301.390 3.177 10 30 DGEERN Cn1ccc2c(NC(=O)[C@H](O)C3CCCCC3)cccc2c1=O ZINC000328664934 228907207 /nfs/dbraw/zinc/90/72/07/228907207.db2.gz YUZJRQWXBRZTNR-MRXNPFEDSA-N 0 0 314.385 3.068 10 30 DGEERN C[C@H](C1CC1)n1cc(NC(=O)C[C@H](C)N2CCCCC2=O)cn1 ZINC000328739144 228911368 /nfs/dbraw/zinc/91/13/68/228911368.db2.gz LCLWABCXJAHQEP-QWHCGFSZSA-N 0 0 318.421 3.233 10 30 DGEERN C[C@H]1C(=O)NCCCN1C(=O)NCc1csc2ccccc12 ZINC000329983973 228970412 /nfs/dbraw/zinc/97/04/12/228970412.db2.gz PZZHGZKGJOTNKV-NSHDSACASA-N 0 0 317.414 3.366 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000333956620 229039985 /nfs/dbraw/zinc/03/99/85/229039985.db2.gz HEHXHMSKLKNNDY-OADHPXTJSA-N 0 0 301.434 3.193 10 30 DGEERN Cc1cnc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)C2CC2)s1 ZINC000357160855 229345115 /nfs/dbraw/zinc/34/51/15/229345115.db2.gz VFABSFOSLJSCJP-ZDUSSCGKSA-N 0 0 318.446 3.238 10 30 DGEERN C[C@@H](NC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000358069136 229357197 /nfs/dbraw/zinc/35/71/97/229357197.db2.gz DOYGUEJPMYXRGZ-RISCZKNCSA-N 0 0 311.410 3.332 10 30 DGEERN N#CCCn1cc(CNc2ncccc2F)c(-c2ccncc2)n1 ZINC000359272029 229375692 /nfs/dbraw/zinc/37/56/92/229375692.db2.gz HYPROEXJCARPLP-UHFFFAOYSA-N 0 0 322.347 3.005 10 30 DGEERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000366863473 229474850 /nfs/dbraw/zinc/47/48/50/229474850.db2.gz GVFRDMUXCZGILZ-KRWDZBQOSA-N 0 0 323.400 3.245 10 30 DGEERN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000302159316 230133057 /nfs/dbraw/zinc/13/30/57/230133057.db2.gz OULBEVQFOCJHTQ-CQSZACIVSA-N 0 0 315.348 3.098 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000302225081 230182403 /nfs/dbraw/zinc/18/24/03/230182403.db2.gz VBOLQBIBTOPPME-ZDUSSCGKSA-N 0 0 322.324 3.004 10 30 DGEERN COc1ccc2[nH]c(C(=O)N(C)Cc3cccc(C#N)c3)cc2c1 ZINC000188938383 263706111 /nfs/dbraw/zinc/70/61/11/263706111.db2.gz CMTIATQIHNOCDT-UHFFFAOYSA-N 0 0 319.364 3.320 10 30 DGEERN C=CCC1(C(=O)N2CCC(c3nnc4ccccn43)CC2)CCC1 ZINC000191162579 432229403 /nfs/dbraw/zinc/22/94/03/432229403.db2.gz DZHJCVLGNIEYTJ-UHFFFAOYSA-N 0 0 324.428 3.182 10 30 DGEERN CN(C)c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 ZINC000358566602 266524211 /nfs/dbraw/zinc/52/42/11/266524211.db2.gz KDIZTZPRWYZLQC-UHFFFAOYSA-N 0 0 320.352 3.253 10 30 DGEERN N#Cc1c(C#N)c(NCC2(CCO)CC2)nc2c1CCCCCC2 ZINC000619492110 425106231 /nfs/dbraw/zinc/10/62/31/425106231.db2.gz UJZLIGKEIYGUAC-UHFFFAOYSA-N 0 0 324.428 3.058 10 30 DGEERN CCN(Cc1c(F)cccc1F)C(=O)Cc1cccc(C#N)c1 ZINC000531396315 267069509 /nfs/dbraw/zinc/06/95/09/267069509.db2.gz ZTXZJHIJECQPAL-UHFFFAOYSA-N 0 0 314.335 3.428 10 30 DGEERN CCS[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000530931807 267179891 /nfs/dbraw/zinc/17/98/91/267179891.db2.gz YOTONRXQZUDNLP-HZPDHXFCSA-N 0 0 302.443 3.281 10 30 DGEERN CC[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000531154208 267217432 /nfs/dbraw/zinc/21/74/32/267217432.db2.gz YKDALQXJZQDHRV-SFHVURJKSA-N 0 0 308.381 3.377 10 30 DGEERN Cc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccn3)cs2)o1 ZINC000357414358 267368948 /nfs/dbraw/zinc/36/89/48/267368948.db2.gz SFZMDKMPYOLCER-UHFFFAOYSA-N 0 0 310.338 3.231 10 30 DGEERN Cc1ccc(OCCCCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530907667 268040062 /nfs/dbraw/zinc/04/00/62/268040062.db2.gz UMQWBYIBWIQAAN-UHFFFAOYSA-N 0 0 322.408 3.385 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)o1 ZINC000511721461 268203622 /nfs/dbraw/zinc/20/36/22/268203622.db2.gz GMXCTISMOVNRBC-AULYBMBSSA-N 0 0 300.745 3.481 10 30 DGEERN N#Cc1cccc(CNC(=O)Nc2cccc3c2OCCC3)c1 ZINC000370539981 268253480 /nfs/dbraw/zinc/25/34/80/268253480.db2.gz WJLYXRGKNXTAQN-UHFFFAOYSA-N 0 0 307.353 3.205 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2ccc3ccccc3n2)c1 ZINC000531147917 268275070 /nfs/dbraw/zinc/27/50/70/268275070.db2.gz LCVVNJJPUQFRLL-UHFFFAOYSA-N 0 0 315.376 3.008 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000530675942 268276936 /nfs/dbraw/zinc/27/69/36/268276936.db2.gz FPMMZTHFOQQTBV-ICSRJNTNSA-N 0 0 320.392 3.137 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1 ZINC000362119260 268297360 /nfs/dbraw/zinc/29/73/60/268297360.db2.gz QVNKJUGWLPZDOX-UHFFFAOYSA-N 0 0 305.337 3.115 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000365986469 268301221 /nfs/dbraw/zinc/30/12/21/268301221.db2.gz YDEAERQRBDJMMN-CYBMUJFWSA-N 0 0 300.358 3.389 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000374534873 268302452 /nfs/dbraw/zinc/30/24/52/268302452.db2.gz OMYSLKNFOGBBLV-LLVKDONJSA-N 0 0 304.758 3.137 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000182908158 432241501 /nfs/dbraw/zinc/24/15/01/432241501.db2.gz JLRHTYNQBAJWGU-UHFFFAOYSA-N 0 0 322.412 3.115 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191275493 432243687 /nfs/dbraw/zinc/24/36/87/432243687.db2.gz HWUADOKAEQXFIY-MRVPVSSYSA-N 0 0 319.188 3.061 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)CCc1ccc(C#N)cc1 ZINC000172966771 432248137 /nfs/dbraw/zinc/24/81/37/432248137.db2.gz DBQPAPKUTIQAND-MRXNPFEDSA-N 0 0 322.408 3.212 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000162178637 287731304 /nfs/dbraw/zinc/73/13/04/287731304.db2.gz RMFQHRGACIPCJF-UONOGXRCSA-N 0 0 300.402 3.363 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)ccn1 ZINC000195122227 274919122 /nfs/dbraw/zinc/91/91/22/274919122.db2.gz NJRCLROWHNBQQC-CQSZACIVSA-N 0 0 313.357 3.059 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1OCCC2 ZINC000366655367 275740210 /nfs/dbraw/zinc/74/02/10/275740210.db2.gz QLOCTASAGRXGON-ZBFHGGJFSA-N 0 0 316.401 3.114 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000287167655 275740745 /nfs/dbraw/zinc/74/07/45/275740745.db2.gz OAEKFSLEVREQFG-IEBWSBKVSA-N 0 0 324.424 3.355 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCOc3c(C)cccc32)CCOCC1 ZINC000424785039 275742499 /nfs/dbraw/zinc/74/24/99/275742499.db2.gz AVIUIJHMNUYJOO-MRXNPFEDSA-N 0 0 315.413 3.308 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000448821984 275751436 /nfs/dbraw/zinc/75/14/36/275751436.db2.gz IFQPRVNUMBQTBT-KURKYZTESA-N 0 0 315.413 3.122 10 30 DGEERN C=C(C)Cn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453465707 276866829 /nfs/dbraw/zinc/86/68/29/276866829.db2.gz MUQQCCAOONREAW-QAPCUYQASA-N 0 0 316.449 3.116 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000437938630 276870016 /nfs/dbraw/zinc/87/00/16/276870016.db2.gz YJKQLKKZHUKIPZ-CVEARBPZSA-N 0 0 306.450 3.333 10 30 DGEERN CNC(=O)C1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000329726104 277754065 /nfs/dbraw/zinc/75/40/65/277754065.db2.gz OKMNMOWQUWLVNC-NRXISQOPSA-N 0 0 319.449 3.310 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H](C)CC#N ZINC000358963179 277783611 /nfs/dbraw/zinc/78/36/11/277783611.db2.gz ZTKQLVCGTGJGBI-LBPRGKRZSA-N 0 0 313.405 3.469 10 30 DGEERN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCc2cncnc2C1 ZINC000328955444 277805527 /nfs/dbraw/zinc/80/55/27/277805527.db2.gz YXSDGAMVAFFYEL-FZKQIMNGSA-N 0 0 322.412 3.072 10 30 DGEERN C=CCOc1ccc(CNc2cc(C#N)nc(C3CC3)n2)cc1 ZINC000601165655 430538481 /nfs/dbraw/zinc/53/84/81/430538481.db2.gz RJQMRXGEQLWYGM-UHFFFAOYSA-N 0 0 306.369 3.403 10 30 DGEERN C=CCCCCCN(C)c1nc2ccccc2c(NCCO)n1 ZINC000606895617 430555751 /nfs/dbraw/zinc/55/57/51/430555751.db2.gz LQCBDPFMPQIDTI-UHFFFAOYSA-N 0 0 314.433 3.217 10 30 DGEERN C=CCC1(C(=O)N2CCCN(C)c3ccccc32)CCOCC1 ZINC000425515531 277823707 /nfs/dbraw/zinc/82/37/07/277823707.db2.gz XJAMDFFBCUORIZ-UHFFFAOYSA-N 0 0 314.429 3.232 10 30 DGEERN C=CC[C@@H](CO)Nc1nc2c(cccc2Br)s1 ZINC000621290516 430602562 /nfs/dbraw/zinc/60/25/62/430602562.db2.gz MRXMDXBIDMNVKB-QMMMGPOBSA-N 0 0 313.220 3.408 10 30 DGEERN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccncc1 ZINC000329304132 277858026 /nfs/dbraw/zinc/85/80/26/277858026.db2.gz XSGHKXXEGTYYNH-ZBFHGGJFSA-N 0 0 317.433 3.177 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617044880 430590099 /nfs/dbraw/zinc/59/00/99/430590099.db2.gz UOGSFJXYAPYNQK-SWLSCSKDSA-N 0 0 310.401 3.077 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000425923545 277899003 /nfs/dbraw/zinc/89/90/03/277899003.db2.gz RYVBDBKOGFVSEG-HUUCEWRRSA-N 0 0 324.490 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000450020007 277903937 /nfs/dbraw/zinc/90/39/37/277903937.db2.gz SKSNBPHRNMGYFQ-VZEFYGNVSA-N 0 0 303.377 3.326 10 30 DGEERN C=CCNc1ncc(C(=O)Nc2ccc(OCC)c(C)n2)s1 ZINC000622182806 430609233 /nfs/dbraw/zinc/60/92/33/430609233.db2.gz WUVNZCQDQROSJX-UHFFFAOYSA-N 0 0 318.402 3.095 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1cc(C#N)ccc1F)C2 ZINC000106373809 278075487 /nfs/dbraw/zinc/07/54/87/278075487.db2.gz XOVCDLIVZWPEDV-UHFFFAOYSA-N 0 0 312.392 3.113 10 30 DGEERN CC1(C)CN(C(=O)Nc2cccc3c2OCCC3=O)[C@H]1C1CC1 ZINC000329526414 278328099 /nfs/dbraw/zinc/32/80/99/278328099.db2.gz RKVXUOFMMKSMJF-INIZCTEOSA-N 0 0 314.385 3.318 10 30 DGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000171156457 278579093 /nfs/dbraw/zinc/57/90/93/278579093.db2.gz ZMGVJSNUHGXZLV-AWEZNQCLSA-N 0 0 324.384 3.370 10 30 DGEERN Cc1ccc(C#N)c(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)n1 ZINC000161570482 278781298 /nfs/dbraw/zinc/78/12/98/278781298.db2.gz GUWNZVXIFFBAOI-GUYCJALGSA-N 0 0 311.360 3.367 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cnn2ccc(C)nc12 ZINC000068672763 431136885 /nfs/dbraw/zinc/13/68/85/431136885.db2.gz BFEMKPNMZUODEY-UHFFFAOYSA-N 0 0 324.359 3.005 10 30 DGEERN Cc1ccc(S(=O)(=O)n2cc(CC#N)c3ccccc32)cc1 ZINC000000350720 431169287 /nfs/dbraw/zinc/16/92/87/431169287.db2.gz WSOMCJNCZJCBPH-UHFFFAOYSA-N 0 0 310.378 3.253 10 30 DGEERN C=CCOc1ccccc1CNC(=O)Cc1ccc(C)s1 ZINC000110426355 431190973 /nfs/dbraw/zinc/19/09/73/431190973.db2.gz IOFJZCVSMYOTJI-UHFFFAOYSA-N 0 0 301.411 3.480 10 30 DGEERN N#C[C@@H](NC(=O)CCCOc1cccc2ccccc21)C1CC1 ZINC000108830827 431157481 /nfs/dbraw/zinc/15/74/81/431157481.db2.gz HONORWNYYHCUCL-QGZVFWFLSA-N 0 0 308.381 3.417 10 30 DGEERN CCCOc1c(Cl)cc(C(=O)N[C@H](C#N)C2CC2)cc1OC ZINC000108833728 431157770 /nfs/dbraw/zinc/15/77/70/431157770.db2.gz VBAYCTMYDDKHEK-CYBMUJFWSA-N 0 0 322.792 3.169 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cnn2ccc(C)nc12 ZINC000112184211 431251916 /nfs/dbraw/zinc/25/19/16/431251916.db2.gz FCEQLTNYYVAHJB-UHFFFAOYSA-N 0 0 312.417 3.246 10 30 DGEERN NC(=O)c1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F ZINC000003156178 431284906 /nfs/dbraw/zinc/28/49/06/431284906.db2.gz ABAQQBSJCOGAIC-UHFFFAOYSA-N 0 0 311.103 3.240 10 30 DGEERN O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(Cl)nn1 ZINC000003239293 431287671 /nfs/dbraw/zinc/28/76/71/431287671.db2.gz DKTJMEJPZMCDDE-GTXXEFQVSA-N 0 0 303.709 3.149 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000005764526 431311775 /nfs/dbraw/zinc/31/17/75/431311775.db2.gz WVAMBAWFDOYFOD-DQXCSHPPSA-N 0 0 302.414 3.058 10 30 in-vitro DGEERN C[C@H]1C[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000072094797 431330272 /nfs/dbraw/zinc/33/02/72/431330272.db2.gz WBEFINIFWHIXDP-UGSOOPFHSA-N 0 0 306.365 3.275 10 30 DGEERN CCOc1cc(C(=O)N(CCC#N)Cc2cccnc2)ccc1C ZINC000113157447 431331965 /nfs/dbraw/zinc/33/19/65/431331965.db2.gz ZMNDJDUCHCFTPL-UHFFFAOYSA-N 0 0 323.396 3.345 10 30 DGEERN N#Cc1ccc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000074409367 431420172 /nfs/dbraw/zinc/42/01/72/431420172.db2.gz WKHMPVOEEAGWRA-UHFFFAOYSA-N 0 0 320.327 3.017 10 30 DGEERN C=CCSCCNC(=O)Cc1ccc(Br)s1 ZINC000114321202 431380912 /nfs/dbraw/zinc/38/09/12/431380912.db2.gz BIODHWAEWNALMB-UHFFFAOYSA-N 0 0 320.277 3.089 10 30 DGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000114499732 431394788 /nfs/dbraw/zinc/39/47/88/431394788.db2.gz SBXGMPSZXUYGJC-QGZVFWFLSA-N 0 0 316.426 3.069 10 30 DGEERN Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1Oc1ccncc1 ZINC000115376973 431450618 /nfs/dbraw/zinc/45/06/18/431450618.db2.gz PXSQDZGFOFLQSR-MRXNPFEDSA-N 0 0 307.353 3.214 10 30 DGEERN Cc1cc(F)cc2[nH]c(C(=O)NCc3cccc(C#N)c3)cc21 ZINC000116723792 431525857 /nfs/dbraw/zinc/52/58/57/431525857.db2.gz KQFIJYULTZLJQZ-UHFFFAOYSA-N 0 0 307.328 3.417 10 30 DGEERN CCn1nc(C)c(/C=C2\COc3c(OC)cccc3C2=O)c1C ZINC000076106453 431527072 /nfs/dbraw/zinc/52/70/72/431527072.db2.gz HCAVVCVDNUBCES-UKTHLTGXSA-N 0 0 312.369 3.187 10 30 DGEERN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(F)cc1 ZINC000075592389 431489428 /nfs/dbraw/zinc/48/94/28/431489428.db2.gz HVHZGGMGYMHVKC-UHFFFAOYSA-N 0 0 322.343 3.379 10 30 DGEERN Cc1oc(NC(=O)CN2CCC[C@@H]2c2ccco2)c(C#N)c1C ZINC000116289555 431498940 /nfs/dbraw/zinc/49/89/40/431498940.db2.gz JMWXYKWCEKBFLC-CQSZACIVSA-N 0 0 313.357 3.137 10 30 DGEERN N#CCCN(C(=O)CN1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116299093 431502485 /nfs/dbraw/zinc/50/24/85/431502485.db2.gz GAPYXOHXSCQDHB-QGZVFWFLSA-N 0 0 323.396 3.363 10 30 DGEERN CN(C(=O)CN1CCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000116298991 431504538 /nfs/dbraw/zinc/50/45/38/431504538.db2.gz WIAAGYCCXADOSK-HNNXBMFYSA-N 0 0 315.417 3.101 10 30 DGEERN C=CC[C@@H](C)NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000117043331 431546283 /nfs/dbraw/zinc/54/62/83/431546283.db2.gz SFQZTVZGPAABKJ-GFCCVEGCSA-N 0 0 317.364 3.287 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000076485060 431551805 /nfs/dbraw/zinc/55/18/05/431551805.db2.gz IJIAUNJSKSYCJK-UHFFFAOYSA-N 0 0 307.825 3.373 10 30 DGEERN C=CCCCN(C)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000076486382 431552452 /nfs/dbraw/zinc/55/24/52/431552452.db2.gz BKQUUWNRRIOWEX-UHFFFAOYSA-N 0 0 302.349 3.448 10 30 DGEERN CC(C)N(C(=O)CSc1ccc(C#N)cc1)C1CCOCC1 ZINC000078181752 431645914 /nfs/dbraw/zinc/64/59/14/431645914.db2.gz LPFINXOFELXCCN-UHFFFAOYSA-N 0 0 318.442 3.066 10 30 DGEERN N#CC1CCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000119310541 431677502 /nfs/dbraw/zinc/67/75/02/431677502.db2.gz SKVDRADWSYJBHT-INIZCTEOSA-N 0 0 301.365 3.148 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000029740110 431728314 /nfs/dbraw/zinc/72/83/14/431728314.db2.gz SFIMVCWUVXYQEW-IVKJLDKCSA-N 0 0 324.424 3.411 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000120593098 431730526 /nfs/dbraw/zinc/73/05/26/431730526.db2.gz GEBUMMKDMLIJAW-GFCCVEGCSA-N 0 0 320.241 3.476 10 30 DGEERN C#CCCCCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000120964346 431737722 /nfs/dbraw/zinc/73/77/22/431737722.db2.gz GXKYIEQAOUUWCR-HNNXBMFYSA-N 0 0 300.402 3.392 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000121209668 431753843 /nfs/dbraw/zinc/75/38/43/431753843.db2.gz ONWKDKYKZVIABC-AWEZNQCLSA-N 0 0 316.426 3.305 10 30 DGEERN COc1cc(C#N)ccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000121208699 431754216 /nfs/dbraw/zinc/75/42/16/431754216.db2.gz NLJLLCOYEKOBHS-QGZVFWFLSA-N 0 0 314.410 3.202 10 30 DGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000121572165 431803377 /nfs/dbraw/zinc/80/33/77/431803377.db2.gz HWQYKIFYLLNOCZ-CQSZACIVSA-N 0 0 311.447 3.278 10 30 DGEERN CCCCCCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122045943 431811117 /nfs/dbraw/zinc/81/11/17/431811117.db2.gz LNMLCYAJXLJXSP-INIZCTEOSA-N 0 0 318.465 3.264 10 30 DGEERN C[C@H]1C[C@]12c1c(c3c(c4c1S(=O)(=O)O[C@H](C)C4)[C@@H](C)C3)[C@@H]2C ZINC000033649338 431815093 /nfs/dbraw/zinc/81/50/93/431815093.db2.gz FODHIQQNHOPUKH-VGFLARMOSA-N 0 0 318.438 3.391 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1OC1CCCC1 ZINC000081031779 431781738 /nfs/dbraw/zinc/78/17/38/431781738.db2.gz LJHLCWAITWYHKE-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN C=C(C)[C@H](COC(C)=O)c1c(OC)ccc2ccc(=O)oc21 ZINC000085945712 431842652 /nfs/dbraw/zinc/84/26/52/431842652.db2.gz KJRYZFDEVYMOEY-ZDUSSCGKSA-N 0 0 302.326 3.024 10 30 biogenic DGEERN Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2c[nH]c3ccccc23)c1O ZINC000038174593 431855097 /nfs/dbraw/zinc/85/50/97/431855097.db2.gz KDHYPTSVOBWQJA-QDBSGRMGSA-N 0 0 323.396 3.119 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000041480414 431859829 /nfs/dbraw/zinc/85/98/29/431859829.db2.gz NUGZNQDWUSCTMT-KCXAZCMYSA-N 0 0 319.364 3.166 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000123303228 431861048 /nfs/dbraw/zinc/86/10/48/431861048.db2.gz OVMYBXMFVLCUDT-QGZVFWFLSA-N 0 0 319.408 3.266 10 30 DGEERN N#Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)o1 ZINC000122616868 431839747 /nfs/dbraw/zinc/83/97/47/431839747.db2.gz BQZDRZZUFJRQMG-CQSZACIVSA-N 0 0 314.732 3.067 10 30 DGEERN COc1ccc(COc2ccc(F)cc2[N+](=O)[O-])cc1C#N ZINC000125036930 431911783 /nfs/dbraw/zinc/91/17/83/431911783.db2.gz FPKAQSYZLCGFCK-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093757816 431917347 /nfs/dbraw/zinc/91/73/47/431917347.db2.gz LPAKKSFBCURQFS-CYBMUJFWSA-N 0 0 321.446 3.109 10 30 DGEERN N#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000125260244 431919463 /nfs/dbraw/zinc/91/94/63/431919463.db2.gz AOXORJWAKVXOGF-UONOGXRCSA-N 0 0 304.340 3.363 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCC2(CCO)CCC2)c1 ZINC000124085599 431882740 /nfs/dbraw/zinc/88/27/40/431882740.db2.gz CMOPXIIDWWCGHY-UHFFFAOYSA-N 0 0 318.417 3.316 10 30 DGEERN CCO[C@H]1C[C@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101271 431902665 /nfs/dbraw/zinc/90/26/65/431902665.db2.gz SLSXJFPNGSGWGZ-MOPGFXCFSA-N 0 0 320.392 3.266 10 30 DGEERN CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101269 431903116 /nfs/dbraw/zinc/90/31/16/431903116.db2.gz SLSXJFPNGSGWGZ-OALUTQOASA-N 0 0 320.392 3.266 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1OC ZINC000091979074 431906562 /nfs/dbraw/zinc/90/65/62/431906562.db2.gz HLLYLBQRORKWSS-DLBZAZTESA-N 0 0 317.429 3.403 10 30 DGEERN C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1nncs1 ZINC000048571957 431928785 /nfs/dbraw/zinc/92/87/85/431928785.db2.gz XXFYIAPQYKVEKC-SECBINFHSA-N 0 0 310.810 3.473 10 30 DGEERN Cc1nc2cc(NC(=O)CNc3ccc(C#N)cc3)ccc2o1 ZINC000050026614 431945231 /nfs/dbraw/zinc/94/52/31/431945231.db2.gz KSYVSYRLOLFESV-UHFFFAOYSA-N 0 0 306.325 3.059 10 30 DGEERN CC#CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000126668807 431955411 /nfs/dbraw/zinc/95/54/11/431955411.db2.gz OPTWHNFXLWOVOG-UHFFFAOYSA-N 0 0 312.316 3.377 10 30 DGEERN N#Cc1ccc(C(F)(F)F)c(N2CCC(c3nnc[nH]3)CC2)c1 ZINC000126658781 431955524 /nfs/dbraw/zinc/95/55/24/431955524.db2.gz ZOVWHCJDOAXPAN-UHFFFAOYSA-N 0 0 321.306 3.079 10 30 DGEERN CCn1c2ccccc2nc1[C@H]1CCCN1c1cnc(C#N)cn1 ZINC000126802414 431957536 /nfs/dbraw/zinc/95/75/36/431957536.db2.gz WRXYPDZKWANBNX-MRXNPFEDSA-N 0 0 318.384 3.059 10 30 DGEERN C=CCOc1ccc(CNc2ccc(-c3nncn3C)cn2)cc1 ZINC000126962814 431961448 /nfs/dbraw/zinc/96/14/48/431961448.db2.gz MRSBGIRRPJEALB-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN CNC1=C(c2cc(Cl)ccn2)C(=O)[C@@H](c2ccc(C)cc2)O1 ZINC000100051839 431980708 /nfs/dbraw/zinc/98/07/08/431980708.db2.gz SYWVDHKPOKOXEC-MRXNPFEDSA-N 0 0 314.772 3.272 10 30 DGEERN COc1cccc(N2CC[C@@H](CNc3nc(C)ccc3C#N)C2)c1 ZINC000127912691 431983825 /nfs/dbraw/zinc/98/38/25/431983825.db2.gz FEPSGTZRKOTVMA-HNNXBMFYSA-N 0 0 322.412 3.209 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H](C)C2 ZINC000189197427 281114297 /nfs/dbraw/zinc/11/42/97/281114297.db2.gz NPOYBUFSZQRNEX-KZULUSFZSA-N 0 0 306.365 3.236 10 30 DGEERN CC1(C)CN(C(=O)C2(C#N)CCCCC2)CC2(CCCC2)O1 ZINC000189187061 281152471 /nfs/dbraw/zinc/15/24/71/281152471.db2.gz FYRADJQUTGMHJE-UHFFFAOYSA-N 0 0 304.434 3.411 10 30 DGEERN CC1(C)CN(c2ccc([N+](=O)[O-])cc2C#N)CC2(CCCC2)O1 ZINC000302689217 281268347 /nfs/dbraw/zinc/26/83/47/281268347.db2.gz USBIPBNQOYFLAP-UHFFFAOYSA-N 0 0 315.373 3.394 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)Cc2ccc(C)s2)cc1 ZINC000057232141 431990913 /nfs/dbraw/zinc/99/09/13/431990913.db2.gz AYOUGYMPFCSWMW-UHFFFAOYSA-N 0 0 314.410 3.154 10 30 DGEERN COCCN(C(=O)c1ccc2cc[nH]c2c1)c1ccc(C#N)cc1 ZINC000173275129 432269204 /nfs/dbraw/zinc/26/92/04/432269204.db2.gz SAGDZJYLRYZBSK-UHFFFAOYSA-N 0 0 319.364 3.333 10 30 DGEERN COCCN(C(=O)[C@H](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000173274228 432269215 /nfs/dbraw/zinc/26/92/15/432269215.db2.gz JVGHIXUBRIBCPZ-MRXNPFEDSA-N 0 0 322.408 3.416 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[S@](C)=O ZINC000191481168 432269438 /nfs/dbraw/zinc/26/94/38/432269438.db2.gz BFTWSKWKNFVBBP-XMHCIUCPSA-N 0 0 322.474 3.427 10 30 DGEERN CCN(C(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1ccc(C#N)cc1 ZINC000151858720 432283382 /nfs/dbraw/zinc/28/33/82/432283382.db2.gz ZRWSEHGOEDBFSD-UGSOOPFHSA-N 0 0 306.365 3.476 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000248463745 432293531 /nfs/dbraw/zinc/29/35/31/432293531.db2.gz AVDJVOWZKGUNSU-LYRGGWFBSA-N 0 0 324.371 3.449 10 30 DGEERN C=CCCCN(C)C(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC000191721913 432295264 /nfs/dbraw/zinc/29/52/64/432295264.db2.gz OTEPOAZHHKNAJF-UHFFFAOYSA-N 0 0 319.355 3.497 10 30 DGEERN N#Cc1cc(NC[C@H]2CSCCS2)c2ccccc2n1 ZINC000152269676 432320333 /nfs/dbraw/zinc/32/03/33/432320333.db2.gz RVXYRHAWUWNCRM-LBPRGKRZSA-N 0 0 301.440 3.367 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000192012254 432324133 /nfs/dbraw/zinc/32/41/33/432324133.db2.gz MVEXRBBQTXAFNC-UHFFFAOYSA-N 0 0 312.392 3.113 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248606110 432304621 /nfs/dbraw/zinc/30/46/21/432304621.db2.gz CPAYYOIYWTZHTR-VUCTXSBTSA-N 0 0 322.399 3.429 10 30 DGEERN C=CCN(C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271332779 432375531 /nfs/dbraw/zinc/37/55/31/432375531.db2.gz BIWVOLOEASMMQZ-HNNXBMFYSA-N 0 0 303.362 3.406 10 30 DGEERN COc1ccc([C@H](NC(=O)c2ccnc(C#N)c2)C(C)C)cc1 ZINC000192471343 432378313 /nfs/dbraw/zinc/37/83/13/432378313.db2.gz OTXQOLDCMYBKRI-QGZVFWFLSA-N 0 0 309.369 3.089 10 30 DGEERN COc1ccc(Cn2c3c(sc2=O)CCCCC3)cc1C#N ZINC000153299204 432399652 /nfs/dbraw/zinc/39/96/52/432399652.db2.gz VCSHUEHMVYSBCZ-UHFFFAOYSA-N 0 0 314.410 3.107 10 30 DGEERN O=S(=O)(NN=C/C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000254844263 432404682 /nfs/dbraw/zinc/40/46/82/432404682.db2.gz HIIRHKAWDYRMCN-RCYQAAHFSA-N 0 0 320.801 3.318 10 30 DGEERN CC(C)N(CCc1nccs1)C(=O)Nc1cccc(C#N)c1 ZINC000152826844 432360179 /nfs/dbraw/zinc/36/01/79/432360179.db2.gz SOMSPBHBGRVSPR-UHFFFAOYSA-N 0 0 314.414 3.500 10 30 DGEERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)(C)CC#N ZINC000184812149 432434918 /nfs/dbraw/zinc/43/49/18/432434918.db2.gz KTGJHVNSKSLXLY-GFCCVEGCSA-N 0 0 312.410 3.163 10 30 DGEERN CCOc1ccccc1[C@@H](CC)NC(=O)c1ccnc(C#N)c1 ZINC000193064301 432445770 /nfs/dbraw/zinc/44/57/70/432445770.db2.gz VMBHINNZZNEGHH-MRXNPFEDSA-N 0 0 309.369 3.233 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCc1ccc2ccccc2c1 ZINC000175590387 432451340 /nfs/dbraw/zinc/45/13/40/432451340.db2.gz FMDDSBMOWCQZIG-UHFFFAOYSA-N 0 0 303.365 3.022 10 30 DGEERN CC(C)(C)Cc1nnc(NCc2c(F)cc(C#N)cc2F)o1 ZINC000192751893 432408688 /nfs/dbraw/zinc/40/86/88/432408688.db2.gz KRSUFAZTMVILRW-UHFFFAOYSA-N 0 0 306.316 3.420 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184608026 432411390 /nfs/dbraw/zinc/41/13/90/432411390.db2.gz GINZNWARAAZMSE-ZDUSSCGKSA-N 0 0 324.388 3.005 10 30 DGEERN C[C@@H](NCc1cc(C#N)cs1)c1cn(-c2ccccc2)nn1 ZINC000154106001 432473392 /nfs/dbraw/zinc/47/33/92/432473392.db2.gz MUSAPPHULCXCNR-GFCCVEGCSA-N 0 0 309.398 3.051 10 30 DGEERN COc1cccc([C@H]2CN(c3nc(C)cc(C)c3C#N)CCO2)c1 ZINC000154221034 432483443 /nfs/dbraw/zinc/48/34/43/432483443.db2.gz MZWLOSWWEQOJBH-GOSISDBHSA-N 0 0 323.396 3.157 10 30 DGEERN CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000175978168 432483864 /nfs/dbraw/zinc/48/38/64/432483864.db2.gz KRYHXEZNQZLVKI-AWEZNQCLSA-N 0 0 303.406 3.013 10 30 DGEERN CCC1(CC)CN(CC#Cc2ccc(Cl)cc2)CC[S@]1=O ZINC000185275458 432485762 /nfs/dbraw/zinc/48/57/62/432485762.db2.gz QQVKUIHJRDWSQQ-OAQYLSRUSA-N 0 0 323.889 3.315 10 30 DGEERN N#Cc1ccc(OCCNC(=O)Cc2ccc(Cl)s2)cc1 ZINC000193692092 432491669 /nfs/dbraw/zinc/49/16/69/432491669.db2.gz XREGQTPYBYCJPT-UHFFFAOYSA-N 0 0 320.801 3.011 10 30 DGEERN CC(=O)SCCCCCCNC(=O)c1ccc(C#N)cc1C ZINC000193859921 432504042 /nfs/dbraw/zinc/50/40/42/432504042.db2.gz YDBJUSZSCBBRGQ-UHFFFAOYSA-N 0 0 318.442 3.437 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000185961007 432549142 /nfs/dbraw/zinc/54/91/42/432549142.db2.gz GEUIVUZVIRJEQI-ZFWWWQNUSA-N 0 0 318.392 3.040 10 30 DGEERN CC#CCCCC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000185967204 432550349 /nfs/dbraw/zinc/55/03/49/432550349.db2.gz OQQSXSYHWJSCMJ-KRWDZBQOSA-N 0 0 303.377 3.228 10 30 DGEERN C#C[C@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000186009844 432553066 /nfs/dbraw/zinc/55/30/66/432553066.db2.gz DFAIASYOUATLBW-STQMWFEESA-N 0 0 305.447 3.177 10 30 DGEERN COC(=O)[C@H](NC/C=C/c1ccccc1)c1cccc(C#N)c1 ZINC000176791313 432554307 /nfs/dbraw/zinc/55/43/07/432554307.db2.gz DTIRHJZRPKIQJE-WGLAMXGCSA-N 0 0 306.365 3.075 10 30 DGEERN C=CC[C@@H](C)NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000176859550 432559304 /nfs/dbraw/zinc/55/93/04/432559304.db2.gz LDFKPKYCUIPCNF-CYBMUJFWSA-N 0 0 318.417 3.406 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000185765733 432532246 /nfs/dbraw/zinc/53/22/46/432532246.db2.gz BAKKWKIZUCJHNJ-KBPBESRZSA-N 0 0 320.399 3.321 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000185858942 432540205 /nfs/dbraw/zinc/54/02/05/432540205.db2.gz FXCSJOOLFYBZOS-MRXNPFEDSA-N 0 0 316.445 3.368 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCOC)c1ccc(OC)c(OC)c1 ZINC000185901959 432544686 /nfs/dbraw/zinc/54/46/86/432544686.db2.gz GWSCOORYFOBZFK-AWEZNQCLSA-N 0 0 321.417 3.286 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCCc1nc2ccccc2s1 ZINC000185928703 432546524 /nfs/dbraw/zinc/54/65/24/432546524.db2.gz HFNLBDIEVLJLIM-CYBMUJFWSA-N 0 0 318.442 3.062 10 30 DGEERN N#CCN(C(=O)c1coc(Br)c1)c1ccccc1 ZINC000195119890 432605028 /nfs/dbraw/zinc/60/50/28/432605028.db2.gz VRDKTUYODBZGQW-UHFFFAOYSA-N 0 0 305.131 3.212 10 30 DGEERN C=CCNC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000155673823 432567410 /nfs/dbraw/zinc/56/74/10/432567410.db2.gz HAJHFICWJJMJLN-GFCCVEGCSA-N 0 0 317.801 3.373 10 30 DGEERN C[C@H](CC#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000194746009 432573227 /nfs/dbraw/zinc/57/32/27/432573227.db2.gz KRFRIIFLCYDTNK-RKDXNWHRSA-N 0 0 301.173 3.179 10 30 DGEERN Cc1cc(C#N)ccc1CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000186292670 432580153 /nfs/dbraw/zinc/58/01/53/432580153.db2.gz SHHRLBSVRSWGCX-LJQANCHMSA-N 0 0 319.408 3.104 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(F)cc21 ZINC000194901263 432586519 /nfs/dbraw/zinc/58/65/19/432586519.db2.gz XPULZODKFDTVAB-LBPRGKRZSA-N 0 0 310.328 3.054 10 30 DGEERN C[C@H]1CCCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000186398067 432590747 /nfs/dbraw/zinc/59/07/47/432590747.db2.gz MIDUAUQEHHCUBP-NSHDSACASA-N 0 0 312.822 3.022 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)CC(=C)C)[C@H](C)C1 ZINC000186432615 432594040 /nfs/dbraw/zinc/59/40/40/432594040.db2.gz YWGZOZJHBDCDQJ-BRWVUGGUSA-N 0 0 320.477 3.250 10 30 DGEERN CSc1c2c(ccc1CN(C)CC#C[Si](C)(C)C)OCO2 ZINC000195843235 432635550 /nfs/dbraw/zinc/63/55/50/432635550.db2.gz DSEWJLJBVHDOBY-UHFFFAOYSA-N 0 0 321.518 3.450 10 30 DGEERN COC(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187138567 432648155 /nfs/dbraw/zinc/64/81/55/432648155.db2.gz TXPKHYCLSYWJJZ-UHFFFAOYSA-N 0 0 320.348 3.015 10 30 DGEERN COC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCCCC1 ZINC000187038455 432643256 /nfs/dbraw/zinc/64/32/56/432643256.db2.gz NMIHYYQSEQCINH-CQSZACIVSA-N 0 0 306.793 3.370 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn21 ZINC000274346479 432655769 /nfs/dbraw/zinc/65/57/69/432655769.db2.gz NWVZNTLBSFTZMK-CYBMUJFWSA-N 0 0 323.400 3.276 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000274375264 432658508 /nfs/dbraw/zinc/65/85/08/432658508.db2.gz XDFJRYMQYQAXLF-KKUMJFAQSA-N 0 0 317.433 3.236 10 30 DGEERN C=C[C@](C)(CCOC)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000188047181 432699942 /nfs/dbraw/zinc/69/99/42/432699942.db2.gz APQDJGCIMITXQK-GDZNZVCISA-N 0 0 308.422 3.468 10 30 DGEERN C=CCCCN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000265476222 432702390 /nfs/dbraw/zinc/70/23/90/432702390.db2.gz CMIAYBBPMVKNTN-UHFFFAOYSA-N 0 0 316.401 3.150 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000188065833 432702796 /nfs/dbraw/zinc/70/27/96/432702796.db2.gz KLZGXXDUKWEWML-SFHVURJKSA-N 0 0 305.418 3.061 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000188146231 432707927 /nfs/dbraw/zinc/70/79/27/432707927.db2.gz UTRBELKLCJQGQV-RDJZCZTQSA-N 0 0 302.418 3.034 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000265565654 432710707 /nfs/dbraw/zinc/71/07/07/432710707.db2.gz ZRUGTPIORIXHAI-MRXNPFEDSA-N 0 0 317.429 3.400 10 30 DGEERN C=CC[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000188264180 432714856 /nfs/dbraw/zinc/71/48/56/432714856.db2.gz KVHQZHHUTCTOST-LJQANCHMSA-N 0 0 320.392 3.413 10 30 DGEERN CC1(C)CC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)O1 ZINC000188386041 432721698 /nfs/dbraw/zinc/72/16/98/432721698.db2.gz VHWHIZZEMQUNPP-GFCCVEGCSA-N 0 0 307.781 3.291 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CNc1cccc(C(C)(F)F)c1 ZINC000187573166 432670489 /nfs/dbraw/zinc/67/04/89/432670489.db2.gz OTTJYRVZZIKORK-GFCCVEGCSA-N 0 0 309.360 3.218 10 30 DGEERN C=CCCCCNC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000274512618 432677163 /nfs/dbraw/zinc/67/71/63/432677163.db2.gz LLRPJAIWJBBRRI-UHFFFAOYSA-N 0 0 310.401 3.299 10 30 DGEERN N#Cc1ccc(O)c(C=C(Br)Br)c1 ZINC000224385467 432681589 /nfs/dbraw/zinc/68/15/89/432681589.db2.gz IICIKTMMFRSFGD-UHFFFAOYSA-N 0 0 302.953 3.352 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187765986 432682906 /nfs/dbraw/zinc/68/29/06/432682906.db2.gz IBGVJTSAESLQHH-CYBMUJFWSA-N 0 0 322.478 3.474 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000187757789 432683823 /nfs/dbraw/zinc/68/38/23/432683823.db2.gz HBSWCRBATUJNQO-LJQANCHMSA-N 0 0 314.429 3.364 10 30 DGEERN COc1ccc(O)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000188859465 432749303 /nfs/dbraw/zinc/74/93/03/432749303.db2.gz HRBLPQVBOIEIIZ-INIZCTEOSA-N 0 0 310.353 3.176 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000188951346 432756219 /nfs/dbraw/zinc/75/62/19/432756219.db2.gz NLOFSOPASJGATB-QZTJIDSGSA-N 0 0 320.367 3.401 10 30 DGEERN CC1(C)C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000189030623 432759106 /nfs/dbraw/zinc/75/91/06/432759106.db2.gz ICIKVZLKKSCUEE-HNNXBMFYSA-N 0 0 312.413 3.052 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCSc4ncccc43)CC2)cc1 ZINC000189034153 432760446 /nfs/dbraw/zinc/76/04/46/432760446.db2.gz CWDQLROKECMINR-UHFFFAOYSA-N 0 0 321.405 3.124 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)CCNC(=O)[C@@H](C)CC(=C)C ZINC000275586949 432733080 /nfs/dbraw/zinc/73/30/80/432733080.db2.gz ZZWGQYVYBZEMER-JKSUJKDBSA-N 0 0 308.466 3.156 10 30 DGEERN CC(C)[C@@H](C)CNC(=O)Nc1ncccc1OCCCC#N ZINC000188786076 432745926 /nfs/dbraw/zinc/74/59/26/432745926.db2.gz QOIARZQCRDKVMI-ZDUSSCGKSA-N 0 0 304.394 3.178 10 30 DGEERN CC1(C)CCC[C@H](C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000178960491 432791628 /nfs/dbraw/zinc/79/16/28/432791628.db2.gz CFFWTOYCXOOPFG-HNNXBMFYSA-N 0 0 300.402 3.270 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CCC1 ZINC000189515957 432794328 /nfs/dbraw/zinc/79/43/28/432794328.db2.gz RYNWZHNZUCJABR-INIZCTEOSA-N 0 0 301.386 3.039 10 30 DGEERN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)C2CC2)n1 ZINC000161761601 432797272 /nfs/dbraw/zinc/79/72/72/432797272.db2.gz OQSCGHSESOAUEK-CQSZACIVSA-N 0 0 324.384 3.066 10 30 DGEERN COc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161792130 432799006 /nfs/dbraw/zinc/79/90/06/432799006.db2.gz OMFSPJMXLWRPBE-ZDUSSCGKSA-N 0 0 312.394 3.456 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000189579725 432800489 /nfs/dbraw/zinc/80/04/89/432800489.db2.gz ZGASPMQEBQYGAX-HNNXBMFYSA-N 0 0 318.417 3.133 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000277579322 432862203 /nfs/dbraw/zinc/86/22/03/432862203.db2.gz YRJIJHYBQXLZJZ-LBPRGKRZSA-N 0 0 305.324 3.128 10 30 DGEERN C#CCC(CC#C)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000277667881 432868833 /nfs/dbraw/zinc/86/88/33/432868833.db2.gz MEUCLTRHKHBBRZ-WOJBJXKFSA-N 0 0 323.436 3.242 10 30 DGEERN CN(C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@H]1CCNC1=O ZINC000330035548 432889934 /nfs/dbraw/zinc/88/99/34/432889934.db2.gz XNADGMBQIRHACP-CFVMTHIKSA-N 0 0 319.380 3.036 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCSC1 ZINC000288249736 432890297 /nfs/dbraw/zinc/89/02/97/432890297.db2.gz STHHXEKNDBDLFY-IRXDYDNUSA-N 0 0 316.470 3.063 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@H](C)C1)CCC2 ZINC000330083738 432891731 /nfs/dbraw/zinc/89/17/31/432891731.db2.gz BOVHKMYSDOQZQR-ZFWWWQNUSA-N 0 0 304.438 3.105 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C)n2)C12CCCC2 ZINC000330122815 432893898 /nfs/dbraw/zinc/89/38/98/432893898.db2.gz KNCGZOHDDOABRA-KGLIPLIRSA-N 0 0 318.421 3.000 10 30 DGEERN C#CCC(CC#C)C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 ZINC000288531170 432894045 /nfs/dbraw/zinc/89/40/45/432894045.db2.gz PPTNZTCIUOLPMA-UHFFFAOYSA-N 0 0 321.420 3.364 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(C)n2)C12CCCC2 ZINC000330122816 432894647 /nfs/dbraw/zinc/89/46/47/432894647.db2.gz KNCGZOHDDOABRA-UONOGXRCSA-N 0 0 318.421 3.000 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000277472341 432854248 /nfs/dbraw/zinc/85/42/48/432854248.db2.gz PUHFOCMITZYXIN-UHFFFAOYSA-N 0 0 311.400 3.270 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(C2CC2)n1 ZINC000296736230 432925739 /nfs/dbraw/zinc/92/57/39/432925739.db2.gz COPZXZZTBCSKNS-CZUORRHYSA-N 0 0 301.390 3.062 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2ccc(NC(C)=O)cc2)no1 ZINC000288998947 432911531 /nfs/dbraw/zinc/91/15/31/432911531.db2.gz NVAUPVPKIDXXDQ-QGZVFWFLSA-N 0 0 315.373 3.175 10 30 DGEERN C=CCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000279439221 432968247 /nfs/dbraw/zinc/96/82/47/432968247.db2.gz CTEOUWHEOMUHGB-UHFFFAOYSA-N 0 0 301.365 3.341 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc(C3(CCF)CC3)n2)c1 ZINC000289671716 432971473 /nfs/dbraw/zinc/97/14/73/432971473.db2.gz FCBUPROOVDAFHC-UHFFFAOYSA-N 0 0 315.348 3.044 10 30 DGEERN C=CCCc1noc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000297290506 432986862 /nfs/dbraw/zinc/98/68/62/432986862.db2.gz LSXSIKZAYKKBAE-UHFFFAOYSA-N 0 0 311.385 3.208 10 30 DGEERN C=C(C)C[C@H](C)c1nc([C@@H]2CC(=O)N(CC3CCC3)C2)no1 ZINC000290182860 433009097 /nfs/dbraw/zinc/00/90/97/433009097.db2.gz VPRZSDKVZRHKRG-GXTWGEPZSA-N 0 0 303.406 3.255 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)[C@H]2CCc3ccccc32)cc1 ZINC000297810811 433019549 /nfs/dbraw/zinc/01/95/49/433019549.db2.gz YTOTXJVZVSNVOK-IBGZPJMESA-N 0 0 304.393 3.497 10 30 DGEERN C=CC[C@H](C)[C@@H](C)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000290248544 433020196 /nfs/dbraw/zinc/02/01/96/433020196.db2.gz VLBLDHLXXMOIJW-IACUBPJLSA-N 0 0 315.417 3.452 10 30 DGEERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCCCC23CCCC3)O1 ZINC000329747878 289023670 /nfs/dbraw/zinc/02/36/70/289023670.db2.gz SPNDOAXKZAVSJR-ZNMIVQPWSA-N 0 0 322.449 3.082 10 30 DGEERN C#CCCCC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000372997081 433068659 /nfs/dbraw/zinc/06/86/59/433068659.db2.gz MVHKRYSBFHIXFP-UHFFFAOYSA-N 0 0 300.789 3.440 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(F)(F)c1ccccc1F ZINC000280514057 433069402 /nfs/dbraw/zinc/06/94/02/433069402.db2.gz ANEALLQQPJTWAZ-SMDDNHRTSA-N 0 0 313.319 3.015 10 30 DGEERN N#Cc1cnccc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000372955962 433064579 /nfs/dbraw/zinc/06/45/79/433064579.db2.gz XIJWZTKCBAZCJW-MRXNPFEDSA-N 0 0 317.751 3.324 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nccc(OCc2ccccc2)n1 ZINC000425285650 433146805 /nfs/dbraw/zinc/14/68/05/433146805.db2.gz SXKJPSYDEVWHPA-HOTGVXAUSA-N 0 0 311.385 3.059 10 30 DGEERN N#C[C@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)CCN1C1CC1 ZINC000373357579 433149479 /nfs/dbraw/zinc/14/94/79/433149479.db2.gz CZRFIHGEYYYDAA-SFHVURJKSA-N 0 0 324.428 3.158 10 30 DGEERN C=CCOCCNC(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000373926792 433169338 /nfs/dbraw/zinc/16/93/38/433169338.db2.gz WYWCDNGPHQOPRP-UHFFFAOYSA-N 0 0 311.385 3.381 10 30 DGEERN C=CCn1c(N(C)Cc2ccoc2C)nnc1[C@]1(C)CCCO1 ZINC000453433800 433182298 /nfs/dbraw/zinc/18/22/98/433182298.db2.gz DITIJIRWGHCKJX-KRWDZBQOSA-N 0 0 316.405 3.028 10 30 DGEERN C=CCn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453434366 433183444 /nfs/dbraw/zinc/18/34/44/433183444.db2.gz FLUJGIGTQVOMOG-QAPCUYQASA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N(CC(C)C)C(C)C)nnc1[C@@]1(C)CCCO1 ZINC000453442653 433185356 /nfs/dbraw/zinc/18/53/56/433185356.db2.gz PUKJDOLVJQQWHL-QGZVFWFLSA-N 0 0 306.454 3.361 10 30 DGEERN C=CCn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@]1(C)CCCO1 ZINC000453443249 433185977 /nfs/dbraw/zinc/18/59/77/433185977.db2.gz QOJBSLZJCFRYSM-MPGHIAIKSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@@]1(C)CCCO1 ZINC000453443625 433190951 /nfs/dbraw/zinc/19/09/51/433190951.db2.gz RBSZZAYLAUMRGJ-SUMWQHHRSA-N 0 0 316.405 3.280 10 30 DGEERN C=CCN(c1nnc([C@@]2(C)CCCO2)n1CC(=C)C)C1CC1 ZINC000453472357 433200558 /nfs/dbraw/zinc/20/05/58/433200558.db2.gz WVTOVMSGQBTZEF-QGZVFWFLSA-N 0 0 302.422 3.035 10 30 DGEERN C=CCC1(C(=O)N(C)c2nc3ccccc3o2)CCOCC1 ZINC000425418228 433233068 /nfs/dbraw/zinc/23/30/68/433233068.db2.gz NWCKDDXWMRSXDT-UHFFFAOYSA-N 0 0 300.358 3.164 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1ccc(Cl)cc1 ZINC000425434088 433241871 /nfs/dbraw/zinc/24/18/71/433241871.db2.gz OCAVHPFPVFUUBA-HOCLYGCPSA-N 0 0 322.836 3.163 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000420781220 433255767 /nfs/dbraw/zinc/25/57/67/433255767.db2.gz ASIKWIQVHCYLDW-HOTGVXAUSA-N 0 0 318.417 3.008 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000281140776 433266106 /nfs/dbraw/zinc/26/61/06/433266106.db2.gz VEJOXSQJMSHRBW-KKUMJFAQSA-N 0 0 301.386 3.032 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000338845988 433321998 /nfs/dbraw/zinc/32/19/98/433321998.db2.gz FWVLGUMCRULJDC-MAUKXSAKSA-N 0 0 318.465 3.407 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC ZINC000350741230 433273499 /nfs/dbraw/zinc/27/34/99/433273499.db2.gz LZQFWTPJLYHEAW-ZIAGYGMSSA-N 0 0 306.454 3.229 10 30 DGEERN C=CCCC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)CCC=C ZINC000338256993 433288634 /nfs/dbraw/zinc/28/86/34/433288634.db2.gz ZPCOJRCGCDVMHH-IYBDPMFKSA-N 0 0 306.450 3.147 10 30 DGEERN C=CCCn1cc(C(=O)Nc2c(Cl)ccc(C)c2C)nn1 ZINC000425562041 433301167 /nfs/dbraw/zinc/30/11/67/433301167.db2.gz BLIUXKUJZOAPMY-UHFFFAOYSA-N 0 0 304.781 3.377 10 30 DGEERN C=CCN(Cc1nn(C)cc1Cl)Cc1ccc(OC)cc1 ZINC000420906260 433301245 /nfs/dbraw/zinc/30/12/45/433301245.db2.gz SJSCGZLWWZYNGD-UHFFFAOYSA-N 0 0 305.809 3.270 10 30 DGEERN CC#CCCNC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000361645465 433311454 /nfs/dbraw/zinc/31/14/54/433311454.db2.gz DAMZIZCZXHAVEX-UHFFFAOYSA-N 0 0 306.450 3.169 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)Cc1ccc(F)cc1 ZINC000425594437 433312948 /nfs/dbraw/zinc/31/29/48/433312948.db2.gz YTMIUZSKIGNICE-RDJZCZTQSA-N 0 0 320.408 3.338 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000281689490 433347426 /nfs/dbraw/zinc/34/74/26/433347426.db2.gz HKLDIEWBRSHVRU-VUCTXSBTSA-N 0 0 318.392 3.093 10 30 DGEERN C=CCCCNC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000448035373 433353630 /nfs/dbraw/zinc/35/36/30/433353630.db2.gz POPATKDADUYOLS-UHFFFAOYSA-N 0 0 307.825 3.138 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1cc(F)ccc1F ZINC000299296945 433359055 /nfs/dbraw/zinc/35/90/55/433359055.db2.gz MIYHBAUEFBMLCZ-UHFFFAOYSA-N 0 0 307.262 3.474 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000291814089 433362152 /nfs/dbraw/zinc/36/21/52/433362152.db2.gz HYFOJSVWDIZVDT-ZBFHGGJFSA-N 0 0 320.383 3.308 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000447956042 433334543 /nfs/dbraw/zinc/33/45/43/433334543.db2.gz RUQAYDSIIDBQOH-UHFFFAOYSA-N 0 0 318.417 3.407 10 30 DGEERN C=CCCCNC(=O)NCc1cc(Br)ccc1F ZINC000447982899 433335864 /nfs/dbraw/zinc/33/58/64/433335864.db2.gz NXNGBCJXIGZDPV-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCCCNC(=O)NC[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000448002544 433342614 /nfs/dbraw/zinc/34/26/14/433342614.db2.gz YARXMCGVAVOVMI-AWEZNQCLSA-N 0 0 320.433 3.148 10 30 DGEERN C=CCCCC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375221306 433392863 /nfs/dbraw/zinc/39/28/63/433392863.db2.gz YHHXNHODGRENTF-UHFFFAOYSA-N 0 0 308.372 3.360 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H]2CCO[C@@H](CC)C2)c1 ZINC000421079268 433423005 /nfs/dbraw/zinc/42/30/05/433423005.db2.gz JIZCJJWQYPLVEW-CABCVRRESA-N 0 0 304.390 3.331 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000448625639 433458654 /nfs/dbraw/zinc/45/86/54/433458654.db2.gz QJCKZWRBARFNLV-APWZRJJASA-N 0 0 324.424 3.465 10 30 DGEERN C=CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000426702416 433562584 /nfs/dbraw/zinc/56/25/84/433562584.db2.gz BBAMHHVRHUGRJB-GOSISDBHSA-N 0 0 311.381 3.475 10 30 DGEERN COc1cccc(N(CC(C)C)C(=O)c2ccc(C#N)n2C)c1 ZINC000448823583 433568784 /nfs/dbraw/zinc/56/87/84/433568784.db2.gz MNVNSZQULUWUQR-UHFFFAOYSA-N 0 0 311.385 3.208 10 30 DGEERN C=CCOc1cccc(C[NH2+][C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC000426762075 433585830 /nfs/dbraw/zinc/58/58/30/433585830.db2.gz HBDPGMZTGLBVDP-KRWDZBQOSA-N 0 0 303.402 3.375 10 30 DGEERN CCc1cc(=O)[nH]c(CSCc2ccc(OC)c(C#N)c2)n1 ZINC000161708744 292840769 /nfs/dbraw/zinc/84/07/69/292840769.db2.gz CDFFZJPSEMXYCW-UHFFFAOYSA-N 0 0 315.398 3.058 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CSC1(C)C ZINC000282814132 433632022 /nfs/dbraw/zinc/63/20/22/433632022.db2.gz IHMGRTNTVIYDEP-HNNXBMFYSA-N 0 0 315.442 3.150 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000448885449 433597912 /nfs/dbraw/zinc/59/79/12/433597912.db2.gz MJPUXWQEWNHJST-UHFFFAOYSA-N 0 0 311.360 3.235 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000448895280 433599336 /nfs/dbraw/zinc/59/93/36/433599336.db2.gz CSSPKBOSZVMBNV-UHFFFAOYSA-N 0 0 315.804 3.301 10 30 DGEERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301556582 433611580 /nfs/dbraw/zinc/61/15/80/433611580.db2.gz NNCHDUCVDBCZLO-ZSMADZGOSA-N 0 0 312.385 3.328 10 30 DGEERN C=CCC1(NC(=O)[C@@H](OC)c2ccc(O)cc2)CCCCC1 ZINC000456361039 433618920 /nfs/dbraw/zinc/61/89/20/433618920.db2.gz FDBUGSPSFQTMMV-INIZCTEOSA-N 0 0 303.402 3.475 10 30 DGEERN C=CCC1(NC(=O)C[C@H](O)Cc2ccccc2)CCCCC1 ZINC000456364369 433619574 /nfs/dbraw/zinc/61/95/74/433619574.db2.gz JOSFXYWEQANHFQ-QGZVFWFLSA-N 0 0 301.430 3.375 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282690639 433623078 /nfs/dbraw/zinc/62/30/78/433623078.db2.gz KGPXDEFUQRFXMT-UHFFFAOYSA-N 0 0 322.206 3.364 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C#N)C(C)(C)C ZINC000362341735 433655958 /nfs/dbraw/zinc/65/59/58/433655958.db2.gz JAEAZGOYQVKPTJ-HZPDHXFCSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@@H](C)CCC(=O)OCC ZINC000362403637 433697430 /nfs/dbraw/zinc/69/74/30/433697430.db2.gz QGAIFNCDAXCMIF-ZDUSSCGKSA-N 0 0 321.442 3.426 10 30 DGEERN C=CCNC(=O)NC(=O)[C@H](C)SC(C)(C)c1ccccc1 ZINC000362401885 433696209 /nfs/dbraw/zinc/69/62/09/433696209.db2.gz KGYAVYKHYPUZBN-LBPRGKRZSA-N 0 0 306.431 3.055 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362491214 433732463 /nfs/dbraw/zinc/73/24/63/433732463.db2.gz DKDKCXOTRMJDRC-LBPRGKRZSA-N 0 0 304.415 3.456 10 30 DGEERN C=CCc1ccc(OCC(=O)NC2(C3(C)CC3)CC2)c(OC)c1 ZINC000456651949 433761889 /nfs/dbraw/zinc/76/18/89/433761889.db2.gz FDGUPSFLQBGKPZ-UHFFFAOYSA-N 0 0 315.413 3.251 10 30 DGEERN C=C[C@H](C)NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000362585757 433772471 /nfs/dbraw/zinc/77/24/71/433772471.db2.gz DHLHTUXATVVYLE-JTQLQIEISA-N 0 0 308.428 3.327 10 30 DGEERN N#Cc1ccc(F)cc1CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339778589 433777078 /nfs/dbraw/zinc/77/70/78/433777078.db2.gz DTUUBTCIYXZWME-ROUUACIJSA-N 0 0 314.335 3.144 10 30 DGEERN CC#CC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283825619 433784148 /nfs/dbraw/zinc/78/41/48/433784148.db2.gz UFKUYWPQTUZHHZ-WBVHZDCISA-N 0 0 322.811 3.142 10 30 DGEERN C=CCOc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000414684712 433786623 /nfs/dbraw/zinc/78/66/23/433786623.db2.gz RMWQJODRZSIWPO-NJAFHUGGSA-N 0 0 315.413 3.469 10 30 DGEERN N#Cc1ccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)o1 ZINC000456730933 433798556 /nfs/dbraw/zinc/79/85/56/433798556.db2.gz MPBZMZBVQUODTF-UHFFFAOYSA-N 0 0 300.745 3.310 10 30 DGEERN CC1(C#N)CCN(C(=O)Cc2coc3cc(F)ccc23)CC1 ZINC000356982511 433800824 /nfs/dbraw/zinc/80/08/24/433800824.db2.gz NGQQMKCMYSYJBG-UHFFFAOYSA-N 0 0 300.333 3.267 10 30 DGEERN CCCc1occc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000376753075 433808661 /nfs/dbraw/zinc/80/86/61/433808661.db2.gz WAKSAGGBIFJCJN-GOSISDBHSA-N 0 0 324.380 3.317 10 30 DGEERN C=CCOc1ccccc1CNc1nccc(-c2cnn(C)c2)n1 ZINC000362660149 433813109 /nfs/dbraw/zinc/81/31/09/433813109.db2.gz ZGCMPXOFOUYBIK-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN Cn1c2cc(Nc3ccc(C#N)cc3[N+](=O)[O-])ccc2ccc1=O ZINC000362669614 433817082 /nfs/dbraw/zinc/81/70/82/433817082.db2.gz UMXLFMVYVYUZGY-UHFFFAOYSA-N 0 0 320.308 3.062 10 30 DGEERN C=CCC1(C(=O)NCCCc2nc(C(C)C)no2)CCCC1 ZINC000449813781 433818807 /nfs/dbraw/zinc/81/88/07/433818807.db2.gz IUUWMLDOTDRYQK-UHFFFAOYSA-N 0 0 305.422 3.378 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1ncnc2cc(Cl)ccc21 ZINC000435588806 433876911 /nfs/dbraw/zinc/87/69/11/433876911.db2.gz MVUFFUUMRCLVFJ-NHYWBVRUSA-N 0 0 303.793 3.676 10 30 DGEERN COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302721230 433835132 /nfs/dbraw/zinc/83/51/32/433835132.db2.gz LJHJHIJOEAVZKW-OAHLLOKOSA-N 0 0 324.340 3.212 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@H](CC)c2ccccc2)s1 ZINC000433204600 433840195 /nfs/dbraw/zinc/84/01/95/433840195.db2.gz BRLDGMFSXAZTMG-CYBMUJFWSA-N 0 0 301.415 3.622 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000376929279 433841505 /nfs/dbraw/zinc/84/15/05/433841505.db2.gz CQQQNWAMXDIOJR-HXUWFJFHSA-N 0 0 316.404 3.258 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000377203347 433850316 /nfs/dbraw/zinc/85/03/16/433850316.db2.gz HXRSEFXQJAMKJZ-FQEVSTJZSA-N 0 0 316.404 3.258 10 30 DGEERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C#N)n1C ZINC000449901746 433863345 /nfs/dbraw/zinc/86/33/45/433863345.db2.gz NJMMAYJFTIVZIP-LBPRGKRZSA-N 0 0 315.804 3.253 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377395174 433868587 /nfs/dbraw/zinc/86/85/87/433868587.db2.gz AZZJMFJSOSJQST-BRSBDYLESA-N 0 0 315.413 3.004 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC3(C2)CCCOC3)c1 ZINC000377525485 433901057 /nfs/dbraw/zinc/90/10/57/433901057.db2.gz BGDAGNMBPOXIQP-UHFFFAOYSA-N 0 0 316.401 3.286 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000422230544 433903806 /nfs/dbraw/zinc/90/38/06/433903806.db2.gz CUKDLJOLNQXTLD-HOTGVXAUSA-N 0 0 320.408 3.481 10 30 DGEERN C=C(C)CCSCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000284952384 433905298 /nfs/dbraw/zinc/90/52/98/433905298.db2.gz CUCGAIYXESKESW-UHFFFAOYSA-N 0 0 315.460 3.264 10 30 DGEERN COC(=O)CC1(CC(=O)Nc2cc(C)cc(C#N)c2)CCCC1 ZINC000456964256 433909590 /nfs/dbraw/zinc/90/95/90/433909590.db2.gz LLDWFTFAZFFPFX-UHFFFAOYSA-N 0 0 314.385 3.319 10 30 DGEERN C=CCNC(=O)c1ccc(N(C)Cc2ccc(F)cc2C)nc1 ZINC000362950491 433921881 /nfs/dbraw/zinc/92/18/81/433921881.db2.gz CZQCURLWOFTSBV-UHFFFAOYSA-N 0 0 313.376 3.081 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cc(O)ccc1OC ZINC000436310196 433934879 /nfs/dbraw/zinc/93/48/79/433934879.db2.gz HFKCQUCCHFOMQT-UHFFFAOYSA-N 0 0 311.381 3.272 10 30 DGEERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449957776 433894265 /nfs/dbraw/zinc/89/42/65/433894265.db2.gz DTHUUFLWVCJKNX-SJKOYZFVSA-N 0 0 311.360 3.259 10 30 DGEERN COc1cc(NC(=O)Nc2ccc(F)cc2C#N)ccc1O ZINC000436387777 433954963 /nfs/dbraw/zinc/95/49/63/433954963.db2.gz LIGQTQAVVWTRHJ-UHFFFAOYSA-N 0 0 301.277 3.056 10 30 DGEERN N#C[C@@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C1CC1 ZINC000363185930 433987975 /nfs/dbraw/zinc/98/79/75/433987975.db2.gz ILKJDWULUVPJJP-GOSISDBHSA-N 0 0 320.396 3.044 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC000294192081 434033909 /nfs/dbraw/zinc/03/39/09/434033909.db2.gz KLPBNMVMEBWOCK-SWLSCSKDSA-N 0 0 309.793 3.060 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CCCC1 ZINC000450153514 433996175 /nfs/dbraw/zinc/99/61/75/433996175.db2.gz WBWYBHGYPUOUOZ-KRWDZBQOSA-N 0 0 315.413 3.429 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC000285570667 433997945 /nfs/dbraw/zinc/99/79/45/433997945.db2.gz AGHUQAKXCNICLH-OTWHNJEPSA-N 0 0 313.441 3.333 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000450156152 434001324 /nfs/dbraw/zinc/00/13/24/434001324.db2.gz JSWYGMMQPKXACK-CQSZACIVSA-N 0 0 309.356 3.488 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416364287 434114822 /nfs/dbraw/zinc/11/48/22/434114822.db2.gz VMRNEYHUPKYFNU-ZBFHGGJFSA-N 0 0 302.418 3.362 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416364284 434115807 /nfs/dbraw/zinc/11/58/07/434115807.db2.gz VMRNEYHUPKYFNU-GDBMZVCRSA-N 0 0 302.418 3.362 10 30 DGEERN N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450365121 434133707 /nfs/dbraw/zinc/13/37/07/434133707.db2.gz PETMVGCRUMRTEF-HZPDHXFCSA-N 0 0 308.341 3.266 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)o1 ZINC000416634096 434148815 /nfs/dbraw/zinc/14/88/15/434148815.db2.gz NLLAAXCIIZVFQQ-HNNXBMFYSA-N 0 0 305.399 3.054 10 30 DGEERN N#CC1(c2ccc(C(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000294863156 434150036 /nfs/dbraw/zinc/15/00/36/434150036.db2.gz OBCNBMZXLUHSDI-YLJYHZDGSA-N 0 0 322.408 3.025 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)NCc1ccc(Cl)cc1Cl ZINC000457411348 434153517 /nfs/dbraw/zinc/15/35/17/434153517.db2.gz JDIGROUWHFHPHZ-LBPRGKRZSA-N 0 0 317.216 3.120 10 30 DGEERN C=C1CCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000286123681 434172306 /nfs/dbraw/zinc/17/23/06/434172306.db2.gz MLQXEMTXMHXLHE-TZMCWYRMSA-N 0 0 316.376 3.212 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)COCc1cccc(Cl)c1 ZINC000457501334 434206540 /nfs/dbraw/zinc/20/65/40/434206540.db2.gz IYGAYIHAMLHYQA-INIZCTEOSA-N 0 0 308.809 3.301 10 30 DGEERN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC000457607486 434264174 /nfs/dbraw/zinc/26/41/74/434264174.db2.gz SROYAAOQNZLEMN-IXDOHACOSA-N 0 0 321.392 3.001 10 30 DGEERN C=CCCOCCNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457664726 434286658 /nfs/dbraw/zinc/28/66/58/434286658.db2.gz JOLQKNRXZNBSSL-UHFFFAOYSA-N 0 0 311.809 3.450 10 30 DGEERN C=C[C@H](C)NC(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000348367962 434292130 /nfs/dbraw/zinc/29/21/30/434292130.db2.gz KCKJBWFHLZXYEO-AWEZNQCLSA-N 0 0 312.417 3.369 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](C)C[C@H](C)C1)CCC2 ZINC000328659056 434298544 /nfs/dbraw/zinc/29/85/44/434298544.db2.gz SBHOEDZHXJVMBU-DZKIICNBSA-N 0 0 318.465 3.351 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N([C@H](C)C(C)C)C1CC1)CCC2 ZINC000328701034 434300976 /nfs/dbraw/zinc/30/09/76/434300976.db2.gz IZHAYFZYDHEVKT-CABCVRRESA-N 0 0 318.465 3.492 10 30 DGEERN CCN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCOC1 ZINC000386157950 434307130 /nfs/dbraw/zinc/30/71/30/434307130.db2.gz QBHIETVXMRPUAA-SNVBAGLBSA-N 0 0 313.170 3.075 10 30 DGEERN O=C(C[C@H]1CCCCNC1=O)N[C@@H](CCO)C1CCCCC1 ZINC000328767713 434310235 /nfs/dbraw/zinc/31/02/35/434310235.db2.gz HTTKWIWCGASQTR-CABCVRRESA-N 0 0 310.438 3.421 10 30 DGEERN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CCO[C@@H]2C2CC2)s1 ZINC000328824921 434316345 /nfs/dbraw/zinc/31/63/45/434316345.db2.gz HFGSHEYFRMUORP-ZLKJLUDKSA-N 0 0 323.462 3.234 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1oc(C2CC2)nc1C ZINC000287330451 434334323 /nfs/dbraw/zinc/33/43/23/434334323.db2.gz OHNVWMXLUCEYFP-INIZCTEOSA-N 0 0 308.381 3.225 10 30 DGEERN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000328899356 434323686 /nfs/dbraw/zinc/32/36/86/434323686.db2.gz XGRQZEIPCZXKIW-UZMCECQYSA-N 0 0 307.438 3.356 10 30 DGEERN C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328922068 434330025 /nfs/dbraw/zinc/33/00/25/434330025.db2.gz UGYTULJAPLYMFP-JVLSTEMRSA-N 0 0 319.430 3.416 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000437521225 434277623 /nfs/dbraw/zinc/27/76/23/434277623.db2.gz DYARDGDQPFSXDU-PBHICJAKSA-N 0 0 317.433 3.168 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC000417382990 434379045 /nfs/dbraw/zinc/37/90/45/434379045.db2.gz OPDCNULDQNNLMW-OAHLLOKOSA-N 0 0 301.390 3.068 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000437993798 434381125 /nfs/dbraw/zinc/38/11/25/434381125.db2.gz OGZCLTNOTZLANF-HOCLYGCPSA-N 0 0 308.466 3.435 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCS[C@H](C)CC1 ZINC000287522508 434381843 /nfs/dbraw/zinc/38/18/43/434381843.db2.gz VCOWZDSGGYBGMJ-NVXWUHKLSA-N 0 0 316.470 3.158 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCS[C@@H](C)CC1 ZINC000287522501 434381950 /nfs/dbraw/zinc/38/19/50/434381950.db2.gz VCOWZDSGGYBGMJ-DOTOQJQBSA-N 0 0 316.470 3.158 10 30 DGEERN O=C(C[C@H]1C=CCC1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000329278748 434387011 /nfs/dbraw/zinc/38/70/11/434387011.db2.gz MCVWIFVGXNYGOU-YUTCNCBUSA-N 0 0 317.389 3.480 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)C[C@@H]1CCCCNC1=O ZINC000329280668 434387509 /nfs/dbraw/zinc/38/75/09/434387509.db2.gz MEEMYLVIAGVAEH-GWCFXTLKSA-N 0 0 307.394 3.326 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000450682867 434338520 /nfs/dbraw/zinc/33/85/20/434338520.db2.gz FRQHJJIIWDLYNF-CJNGLKHVSA-N 0 0 319.351 3.172 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(C)CCC(C)CC1 ZINC000437844584 434351165 /nfs/dbraw/zinc/35/11/65/434351165.db2.gz VCAKZYOLPBSUQL-LPMVOBIJSA-N 0 0 308.466 3.483 10 30 DGEERN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1cc[nH]n1 ZINC000329333466 434394094 /nfs/dbraw/zinc/39/40/94/434394094.db2.gz KGAPSOFAYNKWJL-IHWZXDPASA-N 0 0 316.449 3.155 10 30 DGEERN C=C(C)[C@@H](NCc1cn(CC2CC2)nn1)c1ccc(F)c(F)c1 ZINC000450765414 434394602 /nfs/dbraw/zinc/39/46/02/434394602.db2.gz AXFFCKFTUXRURZ-QGZVFWFLSA-N 0 0 318.371 3.373 10 30 DGEERN CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@@H]1CC=CCC1 ZINC000329438152 434409301 /nfs/dbraw/zinc/40/93/01/434409301.db2.gz MHUQWTHBWYUHIO-MRXNPFEDSA-N 0 0 321.465 3.122 10 30 DGEERN N#CC1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000195325888 294799380 /nfs/dbraw/zinc/79/93/80/294799380.db2.gz CYDYUVCPXKMSSB-NWDGAFQWSA-N 0 0 303.328 3.053 10 30 DGEERN C=CC(C)(C)C(=O)NCc1ccc(Br)cc1OC ZINC000450794348 434411581 /nfs/dbraw/zinc/41/15/81/434411581.db2.gz PTWQIDCEBRVCCA-UHFFFAOYSA-N 0 0 312.207 3.286 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cnn(C)c1SC ZINC000359171789 434416100 /nfs/dbraw/zinc/41/61/00/434416100.db2.gz GCZYMLIBLGIDJA-UHFFFAOYSA-N 0 0 319.405 3.110 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cnn(C)c1SC ZINC000359460795 434418648 /nfs/dbraw/zinc/41/86/48/434418648.db2.gz WYEKKHVIXPBGJL-UHFFFAOYSA-N 0 0 315.442 3.013 10 30 DGEERN C#Cc1ccc(CNC(=O)C[C@@H](C)c2ccccc2OC)cc1 ZINC000295619283 434423702 /nfs/dbraw/zinc/42/37/02/434423702.db2.gz YMBSKVSWFHRJMB-OAHLLOKOSA-N 0 0 307.393 3.487 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000438155018 434426751 /nfs/dbraw/zinc/42/67/51/434426751.db2.gz FOLUWKUQBVANFM-KRWDZBQOSA-N 0 0 309.356 3.078 10 30 DGEERN C=CCN(C)C(=O)CCc1cccc(F)c1Br ZINC000295749448 434436697 /nfs/dbraw/zinc/43/66/97/434436697.db2.gz NOZGFZIHDPBEGA-UHFFFAOYSA-N 0 0 300.171 3.165 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000438453605 434481209 /nfs/dbraw/zinc/48/12/09/434481209.db2.gz ZAEMSPHKGSJUIE-GOSISDBHSA-N 0 0 319.449 3.864 10 30 DGEERN N#Cc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1F ZINC000366775076 434505496 /nfs/dbraw/zinc/50/54/96/434505496.db2.gz VHGMJAZTVMTKSI-UHFFFAOYSA-N 0 0 302.393 3.336 10 30 DGEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329850865 434493154 /nfs/dbraw/zinc/49/31/54/434493154.db2.gz ZZDDOTKFERZTFU-ILXRZTDVSA-N 0 0 307.438 3.059 10 30 DGEERN CCc1nc(C2(NCC(=O)NC3CCCCC3)CCCC2)no1 ZINC000329666034 434456934 /nfs/dbraw/zinc/45/69/34/434456934.db2.gz QELCDTVNIGNILY-UHFFFAOYSA-N 0 0 320.437 3.280 10 30 DGEERN C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1[C@H]1CCCO1 ZINC000295972497 434457468 /nfs/dbraw/zinc/45/74/68/434457468.db2.gz LQXQXSSJZSICGV-OAHLLOKOSA-N 0 0 314.389 3.458 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN[C@H](c2ccccc2Cl)C1 ZINC000366926468 434533876 /nfs/dbraw/zinc/53/38/76/434533876.db2.gz QVEIXIDYGMRLAL-CJNGLKHVSA-N 0 0 306.837 3.415 10 30 DGEERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C#N)s1 ZINC000408057575 434537041 /nfs/dbraw/zinc/53/70/41/434537041.db2.gz WLLUPLZEJZJFBR-CPUCHLNUSA-N 0 0 318.442 3.166 10 30 DGEERN C#CCCCNC(=O)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000367160799 434540863 /nfs/dbraw/zinc/54/08/63/434540863.db2.gz QSEDNAWAXYVLPZ-KRWDZBQOSA-N 0 0 306.356 3.128 10 30 DGEERN COc1cccc([C@H]2C[C@H](C)CN2c2nc(C)cc(C#N)n2)c1 ZINC000367269182 434542954 /nfs/dbraw/zinc/54/29/54/434542954.db2.gz GRHGTICAADKQAY-YVEFUNNKSA-N 0 0 308.385 3.253 10 30 DGEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(Br)s1 ZINC000408288522 434558652 /nfs/dbraw/zinc/55/86/52/434558652.db2.gz YEXJFFKTBGOWHM-PSASIEDQSA-N 0 0 313.220 3.241 10 30 DGEERN COc1cc(CN2C[C@@H](c3ccccc3)[C@H](C#N)C2)ccc1C#N ZINC000367828787 434558986 /nfs/dbraw/zinc/55/89/86/434558986.db2.gz IEISSQWKVHQTAC-MOPGFXCFSA-N 0 0 317.392 3.306 10 30 DGEERN N#Cc1nc2ccccc2cc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000334023000 295000532 /nfs/dbraw/zinc/00/05/32/295000532.db2.gz DXCFLXLAKUCFNW-VHSSKADRSA-N 0 0 305.381 3.476 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000367977552 434564806 /nfs/dbraw/zinc/56/48/06/434564806.db2.gz LDEVQOROCIFGAA-USXIJHARSA-N 0 0 303.402 3.004 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](C)[C@H](O)C3)c2c1 ZINC000408453443 434578152 /nfs/dbraw/zinc/57/81/52/434578152.db2.gz RSCSZFVDNDZJBE-FZKQIMNGSA-N 0 0 309.413 3.437 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000369106563 434588530 /nfs/dbraw/zinc/58/85/30/434588530.db2.gz JQZHPMXTZARQRQ-GOSISDBHSA-N 0 0 302.393 3.379 10 30 DGEERN CS[C@H]1CCCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000369118146 434588611 /nfs/dbraw/zinc/58/86/11/434588611.db2.gz SZRXRICLSAQFBT-NRXISQOPSA-N 0 0 309.479 3.243 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccc1 ZINC000370429339 434614493 /nfs/dbraw/zinc/61/44/93/434614493.db2.gz 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/nfs/dbraw/zinc/67/01/71/434670171.db2.gz WMMQPRIYMZILRH-QWHCGFSZSA-N 0 0 305.451 3.018 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C(=O)N(C)C)cn2)CCCCC1 ZINC000410799450 434675841 /nfs/dbraw/zinc/67/58/41/434675841.db2.gz NSMLPSGUZRGHBX-UHFFFAOYSA-N 0 0 315.417 3.249 10 30 DGEERN C=CCn1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)nn1 ZINC000424294082 434681223 /nfs/dbraw/zinc/68/12/23/434681223.db2.gz JTKFHAJSXKZGJC-MRXNPFEDSA-N 0 0 302.809 3.358 10 30 DGEERN COc1cc(CN(C)c2ccc(F)cc2C#N)cc(OC)c1 ZINC000360964677 434745974 /nfs/dbraw/zinc/74/59/74/434745974.db2.gz WRMYZKTUUPGAAP-UHFFFAOYSA-N 0 0 300.333 3.351 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)CC1(C(F)(F)F)CC1 ZINC000411056958 434707352 /nfs/dbraw/zinc/70/73/52/434707352.db2.gz OLPUFWJQOPKRAX-UHFFFAOYSA-N 0 0 310.275 3.432 10 30 DGEERN C=CC(C)(C)CNC(=O)COc1ccc(/C=C\C)cc1OC ZINC000452777155 434712466 /nfs/dbraw/zinc/71/24/66/434712466.db2.gz MSNDKOUXYNZQLC-VURMDHGXSA-N 0 0 303.402 3.436 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000452908277 434754712 /nfs/dbraw/zinc/75/47/12/434754712.db2.gz WRGQSJYTYYIHPM-YJBOKZPZSA-N 0 0 317.429 3.432 10 30 DGEERN CC(C)OC(=O)c1cccnc1NCC1CCC(C#N)CC1 ZINC000440649960 434729997 /nfs/dbraw/zinc/72/99/97/434729997.db2.gz HOVFRPJVGFGAEC-UHFFFAOYSA-N 0 0 301.390 3.389 10 30 DGEERN COCc1cc(NCC2CCC(C#N)CC2)nc(C(C)(C)C)n1 ZINC000440657596 434730800 /nfs/dbraw/zinc/73/08/00/434730800.db2.gz DXPNOBDCYLZIJR-UHFFFAOYSA-N 0 0 316.449 3.662 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000459893636 434733635 /nfs/dbraw/zinc/73/36/35/434733635.db2.gz BGXWSDSQDLERQK-KRWDZBQOSA-N 0 0 314.429 3.083 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccccc2OC)CCOCC1 ZINC000424537107 434735990 /nfs/dbraw/zinc/73/59/90/434735990.db2.gz FESKFYOFVFFIDQ-AWEZNQCLSA-N 0 0 303.402 3.245 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CCOCC1 ZINC000424545118 434737941 /nfs/dbraw/zinc/73/79/41/434737941.db2.gz PYOYXEQLBZFODE-ZDUSSCGKSA-N 0 0 321.392 3.384 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnc(C)cn1 ZINC000411191150 434740708 /nfs/dbraw/zinc/74/07/08/434740708.db2.gz IUTSTHFSJJJIFH-CQSZACIVSA-N 0 0 312.373 3.442 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1c(CC)ncnc1CC ZINC000460065440 434742202 /nfs/dbraw/zinc/74/22/02/434742202.db2.gz PLROEMISTINJBO-UHFFFAOYSA-N 0 0 323.440 3.472 10 30 DGEERN C=CCC1(C(=O)Nc2cc(OC)c(OC)cc2F)CCOCC1 ZINC000424654112 434770300 /nfs/dbraw/zinc/77/03/00/434770300.db2.gz UHUUKVUYXULMNF-UHFFFAOYSA-N 0 0 323.364 3.154 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)Cc2cccc(OC)c2)CCOCC1 ZINC000424655758 434771165 /nfs/dbraw/zinc/77/11/65/434771165.db2.gz KVMYNWKQMPHOKG-HNNXBMFYSA-N 0 0 317.429 3.115 10 30 DGEERN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000460554780 434762281 /nfs/dbraw/zinc/76/22/81/434762281.db2.gz RTVRUXVJGPADQY-CABCVRRESA-N 0 0 314.458 3.495 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CCOCC1 ZINC000424636677 434765754 /nfs/dbraw/zinc/76/57/54/434765754.db2.gz BGKMPAUDTHIVLY-UHFFFAOYSA-N 0 0 311.385 3.388 10 30 DGEERN C[C@H](Nc1cccc2c1OCCC2)C(=O)Nc1cccc(C#N)c1 ZINC000371934635 434774838 /nfs/dbraw/zinc/77/48/38/434774838.db2.gz VTTRYWRLGHYEJT-ZDUSSCGKSA-N 0 0 321.380 3.322 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CCOCC1 ZINC000424688498 434779751 /nfs/dbraw/zinc/77/97/51/434779751.db2.gz WOQFBYMSJYUNJW-HOTGVXAUSA-N 0 0 323.477 3.317 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CCOCC1 ZINC000424694048 434781218 /nfs/dbraw/zinc/78/12/18/434781218.db2.gz KBJLBSLGPNVNRO-LSDHHAIUSA-N 0 0 311.491 3.492 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)CCc2ccc(C)o2)CCOCC1 ZINC000424690996 434781231 /nfs/dbraw/zinc/78/12/31/434781231.db2.gz MMXJXQQTXKGQIO-AWEZNQCLSA-N 0 0 305.418 3.398 10 30 DGEERN C=C(C)CCS[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000419471680 434794968 /nfs/dbraw/zinc/79/49/68/434794968.db2.gz FMZCQIRKMWXEAG-KGLIPLIRSA-N 0 0 321.442 3.031 10 30 DGEERN C=CCC1(C(=O)NCC2(C)Cc3ccccc3C2)CCOCC1 ZINC000424755004 434795920 /nfs/dbraw/zinc/79/59/20/434795920.db2.gz BWTZSESAPSLABR-UHFFFAOYSA-N 0 0 313.441 3.281 10 30 DGEERN C=CCSCCNC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000361130560 434805048 /nfs/dbraw/zinc/80/50/48/434805048.db2.gz GNJBLFJXYUXBBN-UHFFFAOYSA-N 0 0 319.474 3.198 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CCOCC1 ZINC000424835412 434813848 /nfs/dbraw/zinc/81/38/48/434813848.db2.gz MSOHHKPNGUCWSJ-IUODEOHRSA-N 0 0 321.367 3.310 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000424854186 434816465 /nfs/dbraw/zinc/81/64/65/434816465.db2.gz RDZFBNFJEPHBJB-UHFFFAOYSA-N 0 0 304.409 3.467 10 30 DGEERN C=CCC1(C(=O)N2CCCc3ccccc3CC2)CCOCC1 ZINC000424875809 434822917 /nfs/dbraw/zinc/82/29/17/434822917.db2.gz PZPMKEPZIBHYCS-UHFFFAOYSA-N 0 0 313.441 3.377 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000424929296 434829350 /nfs/dbraw/zinc/82/93/50/434829350.db2.gz AZSDBAZIKZRBPJ-WBAXXEDZSA-N 0 0 301.430 3.450 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccccc2n1CCC ZINC000424927053 434829569 /nfs/dbraw/zinc/82/95/69/434829569.db2.gz VEAKUMCISPCFCE-YJBOKZPZSA-N 0 0 312.413 3.372 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)Sc1ccccc1 ZINC000424930471 434829788 /nfs/dbraw/zinc/82/97/88/434829788.db2.gz FWDANFZVQRZBBB-CWRNSKLLSA-N 0 0 305.443 3.265 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CCc1ccccc1F ZINC000424931377 434830175 /nfs/dbraw/zinc/83/01/75/434830175.db2.gz KAMYDZKYYRPKRJ-QRTARXTBSA-N 0 0 305.393 3.102 10 30 DGEERN Cc1cccc([C@H](Nc2ccncc2C#N)c2ccccn2)c1 ZINC000372486887 434834776 /nfs/dbraw/zinc/83/47/76/434834776.db2.gz LIHOCDXDYWZVOY-IBGZPJMESA-N 0 0 300.365 3.280 10 30 DGEERN C=CCCc1noc(COc2cccc3c2OC(C)(C)C3)n1 ZINC000453250002 434840055 /nfs/dbraw/zinc/84/00/55/434840055.db2.gz XHUDVQSDVGLMDX-UHFFFAOYSA-N 0 0 300.358 3.481 10 30 DGEERN C=CC[C@@H]1N(C(=O)Nc2cn(C)nc2OC)CCCC1(C)C ZINC000446257013 434855141 /nfs/dbraw/zinc/85/51/41/434855141.db2.gz WIADVUUYEXXARY-ZDUSSCGKSA-N 0 0 306.410 3.027 10 30 DGEERN CC[C@@H](C)Oc1cc(C)ccc1CNc1nc(C)cc(C#N)n1 ZINC000553108517 434878039 /nfs/dbraw/zinc/87/80/39/434878039.db2.gz NFCSNVOFBBSLLP-CQSZACIVSA-N 0 0 310.401 3.755 10 30 DGEERN C=CCN1CC[C@H](Sc2cc(C)nn2-c2ccccc2)C1=O ZINC000573205248 434880980 /nfs/dbraw/zinc/88/09/80/434880980.db2.gz DXRPOCMNHNQSDU-HNNXBMFYSA-N 0 0 313.426 3.060 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](C)Cc2ccccc2C(F)(F)F)n1 ZINC000553182502 434881854 /nfs/dbraw/zinc/88/18/54/434881854.db2.gz GVWKTQHDWFQUAN-SNVBAGLBSA-N 0 0 320.318 3.719 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000573024875 434870080 /nfs/dbraw/zinc/87/00/80/434870080.db2.gz MGMHBYLKDBOLCA-GFCCVEGCSA-N 0 0 320.364 3.493 10 30 DGEERN C=CC[C@H](C(=O)NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000462648418 434923395 /nfs/dbraw/zinc/92/33/95/434923395.db2.gz YLZFCAKHQHKEHP-INIZCTEOSA-N 0 0 323.440 3.275 10 30 DGEERN CCOC(=O)Cc1c(Cl)ccc(OC(F)(F)F)c1C#N ZINC000575383378 435033509 /nfs/dbraw/zinc/03/35/09/435033509.db2.gz RRKWQVHZGJNLOO-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000464987274 435013949 /nfs/dbraw/zinc/01/39/49/435013949.db2.gz TZIBOIYLEAYTEC-CPUCHLNUSA-N 0 0 300.402 3.076 10 30 DGEERN COC(=O)c1c(OC(F)(F)F)ccc(Br)c1C#N ZINC000575383615 435033534 /nfs/dbraw/zinc/03/35/34/435033534.db2.gz SWKLZZKQGLXSPT-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000527783848 435015199 /nfs/dbraw/zinc/01/51/99/435015199.db2.gz WWUXFWDAZWLSRK-AAEUAGOBSA-N 0 0 314.248 3.436 10 30 DGEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1Br ZINC000575383949 435033902 /nfs/dbraw/zinc/03/39/02/435033902.db2.gz VKJGFQZBEMPHST-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1OC(F)F ZINC000575386878 435033908 /nfs/dbraw/zinc/03/39/08/435033908.db2.gz MQHQQEMRXMADGK-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(Br)cc1C(F)F ZINC000575341619 435030974 /nfs/dbraw/zinc/03/09/74/435030974.db2.gz OBBAZPXGPQTTCW-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(C(F)(F)F)c1OC(F)F ZINC000575386844 435034000 /nfs/dbraw/zinc/03/40/00/435034000.db2.gz KYQJTWMVGIWFRE-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN COC(=O)c1cc(C(F)(F)F)c(Br)cc1C#N ZINC000575383991 435034374 /nfs/dbraw/zinc/03/43/74/435034374.db2.gz YQROGLXIVLIFIH-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1OC(F)F ZINC000575387167 435034546 /nfs/dbraw/zinc/03/45/46/435034546.db2.gz YBTUZGUHZYYHIG-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(NC(=O)CCCCC)CC1 ZINC000464644166 434994270 /nfs/dbraw/zinc/99/42/70/434994270.db2.gz RPXGXQMDMOAUML-HNNXBMFYSA-N 0 0 308.466 3.276 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000464756694 434998237 /nfs/dbraw/zinc/99/82/37/434998237.db2.gz ZZINFFMTTIOTCZ-MNOVXSKESA-N 0 0 311.223 3.254 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(Cl)c1OC(F)(F)F ZINC000575383027 435033015 /nfs/dbraw/zinc/03/30/15/435033015.db2.gz AUPZUGBMCKMJRM-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COC(=O)c1c(C#N)cc(Br)cc1OC(F)(F)F ZINC000575383331 435033036 /nfs/dbraw/zinc/03/30/36/435033036.db2.gz ADSIFZCJLMPKLV-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)c1c(Br)c(C#N)ccc1C(F)F ZINC000575382749 435033178 /nfs/dbraw/zinc/03/31/78/435033178.db2.gz LSAKJYNAPYBPMH-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN CCOC(=O)Cc1cc(CC)cc(OC(F)(F)F)c1C#N ZINC000575388776 435034067 /nfs/dbraw/zinc/03/40/67/435034067.db2.gz FAIKAXDVUUPTNR-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN N#CCc1ccnc(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000575228921 435006558 /nfs/dbraw/zinc/00/65/58/435006558.db2.gz LUMRAESIHLZXHA-UHFFFAOYSA-N 0 0 303.724 3.121 10 30 DGEERN CC(C)COc1ccc(NC(=O)Cc2cccc(C#N)c2)cn1 ZINC000530909112 435058918 /nfs/dbraw/zinc/05/89/18/435058918.db2.gz QNUZPNNYPPKODX-UHFFFAOYSA-N 0 0 309.369 3.169 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1nccn1CC(C)C ZINC000466071909 435059390 /nfs/dbraw/zinc/05/93/90/435059390.db2.gz AWFGNFSSDRKBCV-UHFFFAOYSA-N 0 0 306.454 3.427 10 30 DGEERN CC(C)(C)c1csc(CNC(=O)Cc2cccc(C#N)c2)n1 ZINC000530913551 435059590 /nfs/dbraw/zinc/05/95/90/435059590.db2.gz ZCZWOMKSQGPBKG-UHFFFAOYSA-N 0 0 313.426 3.171 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1ccnc(C)c1Br ZINC000577718803 435061981 /nfs/dbraw/zinc/06/19/81/435061981.db2.gz UYKWGNYTWUBWMW-JTQLQIEISA-N 0 0 312.211 3.051 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000492897011 435068500 /nfs/dbraw/zinc/06/85/00/435068500.db2.gz VWXPAISRKHAXKZ-HZPDHXFCSA-N 0 0 323.820 3.158 10 30 DGEERN CC(C)Oc1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531147377 435074963 /nfs/dbraw/zinc/07/49/63/435074963.db2.gz LHMXCFVDFIHVSA-UHFFFAOYSA-N 0 0 322.408 3.247 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCOc1ccccc1Cl ZINC000492936068 435075864 /nfs/dbraw/zinc/07/58/64/435075864.db2.gz HFAMMJXGUYSQCV-CZUORRHYSA-N 0 0 323.820 3.158 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000529251776 435034955 /nfs/dbraw/zinc/03/49/55/435034955.db2.gz CJGYWUHLSXDDRH-WDEREUQCSA-N 0 0 315.339 3.250 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(OC)cc1SC(F)(F)F ZINC000575394549 435035077 /nfs/dbraw/zinc/03/50/77/435035077.db2.gz IQVGSNLNEWPZMH-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)Cc1ccc(SC(F)(F)F)c(OC)c1C#N ZINC000575394596 435035314 /nfs/dbraw/zinc/03/53/14/435035314.db2.gz MJZIIZUDZNDPCZ-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1SC(F)(F)F ZINC000575393484 435035687 /nfs/dbraw/zinc/03/56/87/435035687.db2.gz CKVFZHMCJZRKPD-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1cc(C#N)cc(SC(F)(F)F)c1C=O ZINC000575391075 435035732 /nfs/dbraw/zinc/03/57/32/435035732.db2.gz IPEBFFYRIAOEOM-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1c(F)ccc(C#N)c1SC(F)(F)F ZINC000575390621 435035882 /nfs/dbraw/zinc/03/58/82/435035882.db2.gz GKPXDZODAAWTNA-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)c(OC)cc1C#N ZINC000575395020 435036150 /nfs/dbraw/zinc/03/61/50/435036150.db2.gz UIVJKZLOYYAEKB-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc(OC)cc(C#N)c1SC(F)(F)F ZINC000575395024 435036245 /nfs/dbraw/zinc/03/62/45/435036245.db2.gz UXKXHDIQEKWFDC-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN Cc1c(C#N)cc(I)cc1OC(F)F ZINC000575663673 435039662 /nfs/dbraw/zinc/03/96/62/435039662.db2.gz HJUZWKNBZRJRKN-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCc1ccc(OC(F)F)c(I)c1C#N ZINC000575656246 435039675 /nfs/dbraw/zinc/03/96/75/435039675.db2.gz RODXNOYKYQORFN-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(CC#N)c(I)c(OC(F)F)c1 ZINC000575663629 435039762 /nfs/dbraw/zinc/03/97/62/435039762.db2.gz FBCJDTRDSBKSQA-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(C#N)c(I)c(OC(F)F)c1 ZINC000575663725 435040729 /nfs/dbraw/zinc/04/07/29/435040729.db2.gz KBFKTKSJTTWRTL-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1c(I)c(CC#N)ccc1OC(F)F ZINC000575664055 435040770 /nfs/dbraw/zinc/04/07/70/435040770.db2.gz UPMQPAKFYLLQOG-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN CCOc1cc(CC#N)c(I)cc1C ZINC000575697800 435046418 /nfs/dbraw/zinc/04/64/18/435046418.db2.gz MKBPZTSNEWICAM-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN COC(=O)c1c(OC(F)(F)F)ccc(F)c1OC(F)(F)F ZINC000575711290 435050548 /nfs/dbraw/zinc/05/05/48/435050548.db2.gz VIBSULZYCYYTOA-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](COCC)C1 ZINC000575765509 435051843 /nfs/dbraw/zinc/05/18/43/435051843.db2.gz VKGWXGUBUJVEGO-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN CC(C)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1cccnc1 ZINC000531435167 435095244 /nfs/dbraw/zinc/09/52/44/435095244.db2.gz NNJAWKGBRXMCFM-SFHVURJKSA-N 0 0 307.397 3.052 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000467634698 435125268 /nfs/dbraw/zinc/12/52/68/435125268.db2.gz BFKOKBLUPIBADV-JTQLQIEISA-N 0 0 305.328 3.896 10 30 DGEERN C=C(C)COCCNC(=O)COc1cc(C(C)C)ccc1C ZINC000532148746 435144585 /nfs/dbraw/zinc/14/45/85/435144585.db2.gz QIYHGUPPONHQHW-UHFFFAOYSA-N 0 0 305.418 3.206 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000532658313 435185286 /nfs/dbraw/zinc/18/52/86/435185286.db2.gz VECXFAXRGYRHGZ-LJQANCHMSA-N 0 0 319.408 3.204 10 30 DGEERN N#Cc1cnccc1N1CCc2ccc(Br)cc2C1 ZINC000561323070 435212127 /nfs/dbraw/zinc/21/21/27/435212127.db2.gz YABIGBKSNQLZMB-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc2c(c1)OCCO2 ZINC000580581259 435237324 /nfs/dbraw/zinc/23/73/24/435237324.db2.gz KWQHJBJYSRKTEA-UHFFFAOYSA-N 0 0 304.390 3.003 10 30 DGEERN COc1cccc(-c2ccc(CNc3cc(C#N)ncn3)cc2)c1 ZINC000562420090 435259225 /nfs/dbraw/zinc/25/92/25/435259225.db2.gz WIRWOIALUQZVIN-UHFFFAOYSA-N 0 0 316.364 3.636 10 30 DGEERN COc1ccc(C[C@H](C)C(=O)N[C@@](C)(C#N)CC(C)C)cc1 ZINC000533999538 435264345 /nfs/dbraw/zinc/26/43/45/435264345.db2.gz PKKHVTHNNCQHAP-KBXCAEBGSA-N 0 0 302.418 3.318 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)N[C@H](C)CCC(=O)OCC ZINC000534097959 435265846 /nfs/dbraw/zinc/26/58/46/435265846.db2.gz UCBODKGEURKCMZ-OAHLLOKOSA-N 0 0 324.465 3.496 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c2c(cccc2Cl)c1C ZINC000564858183 435273630 /nfs/dbraw/zinc/27/36/30/435273630.db2.gz CKGFMBBSOMKFHT-FZMZJTMJSA-N 0 0 318.804 3.451 10 30 DGEERN C=CCCCCCN(C)c1nnc(-c2scnc2C)n1C ZINC000564963922 435275105 /nfs/dbraw/zinc/27/51/05/435275105.db2.gz ORXZQFAZZJEHRX-UHFFFAOYSA-N 0 0 305.451 3.430 10 30 DGEERN C=CCC(C)(C)CNC(=O)CC1CCC(C(=O)OCC)CC1 ZINC000565003608 435275408 /nfs/dbraw/zinc/27/54/08/435275408.db2.gz JZEDBKKFEOSZLP-UHFFFAOYSA-N 0 0 309.450 3.465 10 30 DGEERN C=CCC1(CNS(=O)(=O)CC2(C#N)CCCC2)CCCC1 ZINC000565403452 435279448 /nfs/dbraw/zinc/27/94/48/435279448.db2.gz DFOQWUGCUXDQMG-UHFFFAOYSA-N 0 0 310.463 3.126 10 30 DGEERN C=CCC1(C(=O)NCCOc2ccc(C)cc2C)CCOCC1 ZINC000566107645 435284719 /nfs/dbraw/zinc/28/47/19/435284719.db2.gz PBCBHCDBYJTFDP-UHFFFAOYSA-N 0 0 317.429 3.171 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)c1 ZINC000534750534 435299305 /nfs/dbraw/zinc/29/93/05/435299305.db2.gz VCKTXLWQSXWEKZ-UHFFFAOYSA-N 0 0 314.728 3.122 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000567400072 435315418 /nfs/dbraw/zinc/31/54/18/435315418.db2.gz IBCMMIYYJWQHOO-QKCSRTOESA-N 0 0 302.399 3.065 10 30 DGEERN C=CCn1c(S[C@H](C(C)=O)C(C)C)nc2sccc2c1=O ZINC000567843120 435360957 /nfs/dbraw/zinc/36/09/57/435360957.db2.gz MBHSGLIHRHHJAP-LBPRGKRZSA-N 0 0 322.455 3.350 10 30 DGEERN C=CCn1c(S[C@@H](C(C)=O)C(C)C)nc2sccc2c1=O ZINC000567843119 435361156 /nfs/dbraw/zinc/36/11/56/435361156.db2.gz MBHSGLIHRHHJAP-GFCCVEGCSA-N 0 0 322.455 3.350 10 30 DGEERN C=CCCCC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000481120812 435411779 /nfs/dbraw/zinc/41/17/79/435411779.db2.gz RHQSBCTWEMZRAF-HOTGVXAUSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@](C)(O)C2CCCCC2)cc1 ZINC000481340148 435421209 /nfs/dbraw/zinc/42/12/09/435421209.db2.gz FLZPLYYUCUPQTE-LJQANCHMSA-N 0 0 317.429 3.313 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCN(CCC)c2cc(F)ccc21 ZINC000481389809 435422926 /nfs/dbraw/zinc/42/29/26/435422926.db2.gz WHGQHDNRKUWZRR-AWEZNQCLSA-N 0 0 320.408 3.370 10 30 DGEERN CCc1nnc(N2CC[C@H](C(F)(F)F)[C@@H]2C)c(C#N)c1CC ZINC000480553936 435383689 /nfs/dbraw/zinc/38/36/89/435383689.db2.gz NEXQRIIATDULKP-CABZTGNLSA-N 0 0 312.339 3.250 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccccc1C(F)F ZINC000568764704 435468284 /nfs/dbraw/zinc/46/82/84/435468284.db2.gz MGOCUEXPKDMMIO-UHFFFAOYSA-N 0 0 310.344 3.425 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000568823357 435472901 /nfs/dbraw/zinc/47/29/01/435472901.db2.gz FCESXKGZEULAAB-UKRRQHHQSA-N 0 0 301.386 3.320 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000515355459 435478191 /nfs/dbraw/zinc/47/81/91/435478191.db2.gz VNUWBKYLDWEYJI-OLZOCXBDSA-N 0 0 307.442 3.425 10 30 DGEERN C=C(C)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000514707520 435428782 /nfs/dbraw/zinc/42/87/82/435428782.db2.gz QHVHQPXLABFNTG-HXUWFJFHSA-N 0 0 320.392 3.253 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC000515864571 435507905 /nfs/dbraw/zinc/50/79/05/435507905.db2.gz GRBGEFWBWVCLQM-UHFFFAOYSA-N 0 0 318.417 3.361 10 30 DGEERN C=CCCCN(C)c1nnc(CC(F)(F)F)n1CC(C)C ZINC000569241465 435516084 /nfs/dbraw/zinc/51/60/84/435516084.db2.gz UYELQSQRIDNJNO-UHFFFAOYSA-N 0 0 304.360 3.441 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000515475917 435486039 /nfs/dbraw/zinc/48/60/39/435486039.db2.gz HLJOTKWGCHWVFO-SNVBAGLBSA-N 0 0 312.316 3.277 10 30 DGEERN C=CCCCCCNC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000516781818 435551721 /nfs/dbraw/zinc/55/17/21/435551721.db2.gz WIHHAPAFMATWIA-OAHLLOKOSA-N 0 0 322.474 3.365 10 30 DGEERN CC[C@@](C)(C#N)NC(=O)c1ccc(Br)c(C)c1F ZINC000516906624 435560470 /nfs/dbraw/zinc/56/04/70/435560470.db2.gz DBHGMNBCPAPVDL-ZDUSSCGKSA-N 0 0 313.170 3.319 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-n3ccnc3)cc2)CCOCC1 ZINC000516965317 435565406 /nfs/dbraw/zinc/56/54/06/435565406.db2.gz PRVYUMZHBIZGAM-UHFFFAOYSA-N 0 0 311.385 3.184 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(OCCCC)c1 ZINC000485775908 435577363 /nfs/dbraw/zinc/57/73/63/435577363.db2.gz MVHJYESVUJJDLX-QZTJIDSGSA-N 0 0 317.429 3.463 10 30 DGEERN C=CCCCCCNC(=O)N1CCN(c2nc(C)cs2)CC1 ZINC000570462434 435623222 /nfs/dbraw/zinc/62/32/22/435623222.db2.gz QZLBTVRYKONRSJ-UHFFFAOYSA-N 0 0 322.478 3.030 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)Cc1cccc(C#N)c1 ZINC000570876981 435657887 /nfs/dbraw/zinc/65/78/87/435657887.db2.gz CXCVXPAIVVANEI-UHFFFAOYSA-N 0 0 308.356 3.455 10 30 DGEERN C=CCC1(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CCOCC1 ZINC000518966301 435660817 /nfs/dbraw/zinc/66/08/17/435660817.db2.gz KGDIKVITCIDETR-ZDUSSCGKSA-N 0 0 303.406 3.166 10 30 DGEERN C=CCCCCCNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000571413964 435705295 /nfs/dbraw/zinc/70/52/95/435705295.db2.gz CKRODRLKSFIYCK-UHFFFAOYSA-N 0 0 304.365 3.187 10 30 DGEERN Cc1cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)c(C)s1 ZINC000408403215 301380166 /nfs/dbraw/zinc/38/01/66/301380166.db2.gz UCQMYJPIGWTPQP-ZDUSSCGKSA-N 0 0 312.460 3.068 10 30 DGEERN Cc1cccc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1C#N ZINC000408171627 302013011 /nfs/dbraw/zinc/01/30/11/302013011.db2.gz LSDXCRYLFPBWIB-CXAGYDPISA-N 0 0 318.442 3.068 10 30 DGEERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)Cc1cccc(C#N)c1 ZINC000540782290 313976650 /nfs/dbraw/zinc/97/66/50/313976650.db2.gz PQRJIPXCPFCDEX-UHFFFAOYSA-N 0 0 318.298 3.177 10 30 DGEERN CN(C)c1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1F ZINC000546448162 314306327 /nfs/dbraw/zinc/30/63/27/314306327.db2.gz TUGMOAHFOQADOV-UHFFFAOYSA-N 0 0 322.343 3.404 10 30 DGEERN CC(C)OCCOCc1cccc(Nc2ccncc2C#N)c1 ZINC000547824706 314399722 /nfs/dbraw/zinc/39/97/22/314399722.db2.gz SABQPHRYWDUUNV-UHFFFAOYSA-N 0 0 311.385 3.060 10 30 DGEERN Cc1cc(Cl)ccc1OCCCNc1ccncc1C#N ZINC000547825940 314399797 /nfs/dbraw/zinc/39/97/97/314399797.db2.gz DOWAJNDYGWPFOM-UHFFFAOYSA-N 0 0 301.777 3.218 10 30 DGEERN N#Cc1cnccc1N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000548152630 314426857 /nfs/dbraw/zinc/42/68/57/314426857.db2.gz JPHRMIHPEBJISA-UKRRQHHQSA-N 0 0 314.186 3.106 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2cc(-c3ccccc3)on2)c1 ZINC000553231413 314636625 /nfs/dbraw/zinc/63/66/25/314636625.db2.gz JWALMGODRDWRJL-UHFFFAOYSA-N 0 0 317.348 3.072 10 30 DGEERN COc1ccccc1C[C@H](Nc1nc(C)cc(C#N)n1)C(C)C ZINC000566695377 315368224 /nfs/dbraw/zinc/36/82/24/315368224.db2.gz DZNVFOFOUUBQPY-INIZCTEOSA-N 0 0 310.401 3.345 10 30 DGEERN CCCN1c2ccc(Nc3ccncc3C#N)cc2CCC1=O ZINC000569409355 315579202 /nfs/dbraw/zinc/57/92/02/315579202.db2.gz BFIWREVNKVZQDC-UHFFFAOYSA-N 0 0 306.369 3.386 10 30 DGEERN C[C@@H](Nc1cc(C#N)ccn1)C1CCN(CC(F)(F)F)CC1 ZINC000576216567 316107058 /nfs/dbraw/zinc/10/70/58/316107058.db2.gz TVFHDAREZTYTMF-LLVKDONJSA-N 0 0 312.339 3.028 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000577964789 316289809 /nfs/dbraw/zinc/28/98/09/316289809.db2.gz XPMQVJKACFMLJD-SAABIXHNSA-N 0 0 308.356 3.302 10 30 DGEERN N#Cc1nccn1Cc1ccc(Br)c2cccnc12 ZINC000182105607 323283557 /nfs/dbraw/zinc/28/35/57/323283557.db2.gz JQBZFNIJXRQRHO-UHFFFAOYSA-N 0 0 313.158 3.114 10 30 DGEERN N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccncc2)nc1 ZINC000183248086 323330742 /nfs/dbraw/zinc/33/07/42/323330742.db2.gz MYCPCTUILFDFHC-UHFFFAOYSA-N 0 0 314.348 3.195 10 30 DGEERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(C#N)cn3)C2)c1 ZINC000183752987 323347002 /nfs/dbraw/zinc/34/70/02/323347002.db2.gz JAXXEPKABRYRFG-INIZCTEOSA-N 0 0 305.381 3.200 10 30 DGEERN N#CCC[C@H](NC(=O)NCCOCC1CCC1)c1ccccc1 ZINC000583968473 331498669 /nfs/dbraw/zinc/49/86/69/331498669.db2.gz SGUMEPJEHKNUGF-KRWDZBQOSA-N 0 0 315.417 3.147 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000517748548 331521347 /nfs/dbraw/zinc/52/13/47/331521347.db2.gz MNGPAZZGPGIQGR-XKXGBVFJSA-N 0 0 306.450 3.092 10 30 DGEERN C#Cc1ccc(CNC(=O)NC(C)(C)c2c(C)noc2C)cc1 ZINC000297727171 331606097 /nfs/dbraw/zinc/60/60/97/331606097.db2.gz SYGHXAIQUIUUBH-UHFFFAOYSA-N 0 0 311.385 3.007 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000517558674 331707856 /nfs/dbraw/zinc/70/78/56/331707856.db2.gz FLEJXUDOLSRNJA-OHFALNGGSA-N 0 0 302.418 3.069 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000558083207 331855460 /nfs/dbraw/zinc/85/54/60/331855460.db2.gz KNLGDSQHDXCUDX-KRWDZBQOSA-N 0 0 315.417 3.071 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000566017996 331939216 /nfs/dbraw/zinc/93/92/16/331939216.db2.gz REVIRQSCIIDGKN-UHFFFAOYSA-N 0 0 301.390 3.291 10 30 DGEERN C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1Cc1ccccc1 ZINC000558908890 331956790 /nfs/dbraw/zinc/95/67/90/331956790.db2.gz ZHMVISCMVMPXRZ-CQSZACIVSA-N 0 0 311.433 3.220 10 30 DGEERN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CCC ZINC000558979334 331963846 /nfs/dbraw/zinc/96/38/46/331963846.db2.gz MRTGZTGWXACZEX-UHFFFAOYSA-N 0 0 315.377 3.276 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000292931428 335097812 /nfs/dbraw/zinc/09/78/12/335097812.db2.gz YUNYQMXRIDDJMZ-UHFFFAOYSA-N 0 0 316.401 3.172 10 30 DGEERN C=CCCCNC(=O)C(=O)N[C@@H](c1ccccc1)C(CC)CC ZINC000559889302 332289311 /nfs/dbraw/zinc/28/93/11/332289311.db2.gz QJZPAFSMBAKFEL-QGZVFWFLSA-N 0 0 316.445 3.363 10 30 DGEERN C=CCCCNC(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000560039583 332305104 /nfs/dbraw/zinc/30/51/04/332305104.db2.gz ULQYIYWSGVGIEC-SFHVURJKSA-N 0 0 316.445 3.386 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000185004808 335103374 /nfs/dbraw/zinc/10/33/74/335103374.db2.gz JKNGSXRKMRARNM-DETPVDSQSA-N 0 0 309.356 3.201 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000354381850 332388601 /nfs/dbraw/zinc/38/86/01/332388601.db2.gz GBBSTMLNWPJILR-SWLSCSKDSA-N 0 0 314.212 3.424 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000185064980 335109900 /nfs/dbraw/zinc/10/99/00/335109900.db2.gz JXBADOCWYHHASR-INIZCTEOSA-N 0 0 316.445 3.084 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC000293534514 335111579 /nfs/dbraw/zinc/11/15/79/335111579.db2.gz XHZXHDOKXIKLOZ-UHFFFAOYSA-N 0 0 315.417 3.102 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000248551437 332606743 /nfs/dbraw/zinc/60/67/43/332606743.db2.gz GTXUCSZAAXOZJU-BQDHKBFISA-N 0 0 322.836 3.273 10 30 DGEERN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000562905009 332639456 /nfs/dbraw/zinc/63/94/56/332639456.db2.gz HBXAJJLLFOQKLX-RDJZCZTQSA-N 0 0 324.428 3.340 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](OC(F)F)C1 ZINC000569657512 332655016 /nfs/dbraw/zinc/65/50/16/332655016.db2.gz RMGLXUZXJPJWPK-NEPJUHHUSA-N 0 0 314.380 3.186 10 30 DGEERN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000159571125 332663461 /nfs/dbraw/zinc/66/34/61/332663461.db2.gz YXXHIGFTYDDOKF-IINYFYTJSA-N 0 0 310.319 3.302 10 30 DGEERN C=CCCCCCNC(=O)NCC(=O)Nc1c(C)cccc1C ZINC000580208709 333009091 /nfs/dbraw/zinc/00/90/91/333009091.db2.gz KJTBRXKWIUMRHD-UHFFFAOYSA-N 0 0 317.433 3.288 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000293798754 335117401 /nfs/dbraw/zinc/11/74/01/335117401.db2.gz PBXDCVVIKSHZTL-LBPRGKRZSA-N 0 0 318.392 3.018 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000293800998 335117474 /nfs/dbraw/zinc/11/74/74/335117474.db2.gz ACCXQGIGDOUTKF-LLVKDONJSA-N 0 0 300.324 3.361 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1csc2ccccc12 ZINC000563024221 333070164 /nfs/dbraw/zinc/07/01/64/333070164.db2.gz QDLRAZBTFXJIFV-WFASDCNBSA-N 0 0 316.426 3.292 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000582132260 333152741 /nfs/dbraw/zinc/15/27/41/333152741.db2.gz GQIZNIJSOCFPDG-AWEZNQCLSA-N 0 0 320.408 3.208 10 30 DGEERN C=CCCCCCNC(=O)c1csc(-c2cnccn2)n1 ZINC000580325848 333179734 /nfs/dbraw/zinc/17/97/34/333179734.db2.gz ZPNOBEBKRKUVLT-UHFFFAOYSA-N 0 0 302.403 3.076 10 30 DGEERN C=CCCCNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1 ZINC000582102308 333225491 /nfs/dbraw/zinc/22/54/91/333225491.db2.gz DZMFSUVZNHRLMC-UHFFFAOYSA-N 0 0 315.417 3.319 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1coc2c1C(=O)CCC2 ZINC000295186113 335131108 /nfs/dbraw/zinc/13/11/08/335131108.db2.gz CLFSQXDXJWIWPH-HNNXBMFYSA-N 0 0 321.376 3.163 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000188414127 333365802 /nfs/dbraw/zinc/36/58/02/333365802.db2.gz OXCKAUUQCHUQRW-GOSISDBHSA-N 0 0 320.408 3.085 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCc1ccc(CC(C)C)cc1 ZINC000185727016 333370665 /nfs/dbraw/zinc/37/06/65/333370665.db2.gz DADLQSXNYQKCSW-GOSISDBHSA-N 0 0 303.446 3.261 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)[C@@H](C)CO ZINC000217240259 333390328 /nfs/dbraw/zinc/39/03/28/333390328.db2.gz PALIBQUNQFMPAA-FRRDWIJNSA-N 0 0 321.446 3.077 10 30 DGEERN C=CCCCCNC(=O)Nc1ccnc(C)c1Br ZINC000525847893 333515000 /nfs/dbraw/zinc/51/50/00/333515000.db2.gz BCECDMSRSOLNBW-UHFFFAOYSA-N 0 0 312.211 3.052 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413857030 333876930 /nfs/dbraw/zinc/87/69/30/333876930.db2.gz CZYKVGJFMDGNCD-HNNXBMFYSA-N 0 0 305.397 3.012 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)N(CCC#N)Cc1cccnc1 ZINC000269271990 333999847 /nfs/dbraw/zinc/99/98/47/333999847.db2.gz GXPXNUYVPDICJE-HNNXBMFYSA-N 0 0 315.417 3.109 10 30 DGEERN C=CC1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000111463476 334327650 /nfs/dbraw/zinc/32/76/50/334327650.db2.gz WCPPYURPOBKDID-UHFFFAOYSA-N 0 0 318.808 3.095 10 30 DGEERN C=CCn1c(SCCC(C)(C)OC)nnc1-c1ccncc1 ZINC000344680693 335265761 /nfs/dbraw/zinc/26/57/61/335265761.db2.gz YOXMEZUKGNVJHM-UHFFFAOYSA-N 0 0 318.446 3.433 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC000535650489 335706116 /nfs/dbraw/zinc/70/61/16/335706116.db2.gz LRVPOVIFIRQUPS-OAHLLOKOSA-N 0 0 323.392 3.182 10 30 DGEERN C=C(C)CN(CC)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000532460832 336248584 /nfs/dbraw/zinc/24/85/84/336248584.db2.gz LHWLMHRMPITQPO-UHFFFAOYSA-N 0 0 318.465 3.300 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000043482872 336254573 /nfs/dbraw/zinc/25/45/73/336254573.db2.gz PBWHTIYCGZRPGQ-ZDUSSCGKSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)s2)C1 ZINC000302182169 336352779 /nfs/dbraw/zinc/35/27/79/336352779.db2.gz SERIYNBOUFMVOK-ZDUSSCGKSA-N 0 0 319.405 3.049 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000514669849 337152276 /nfs/dbraw/zinc/15/22/76/337152276.db2.gz VRARWBLNMJYJAL-NOLJZWGESA-N 0 0 318.392 3.046 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1ccc(C(C)=O)c(Cl)c1 ZINC000181027420 337179344 /nfs/dbraw/zinc/17/93/44/337179344.db2.gz BEJRVXGITPTFBZ-UHFFFAOYSA-N 0 0 308.809 3.379 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2cc(C(=O)OC)co2)c1 ZINC000184629299 337199518 /nfs/dbraw/zinc/19/95/18/337199518.db2.gz SSHHDMFPGSYHCF-UHFFFAOYSA-N 0 0 315.325 3.273 10 30 DGEERN C=CCCCCCNC(=O)NC1CCN(c2nccs2)CC1 ZINC000583212794 337273490 /nfs/dbraw/zinc/27/34/90/337273490.db2.gz STYBLVWWNJKYMZ-UHFFFAOYSA-N 0 0 322.478 3.158 10 30 DGEERN Cc1cc(-c2cc(C#N)cc3cc(C(N)=O)n(C)c32)ccc1F ZINC000584618253 337373178 /nfs/dbraw/zinc/37/31/78/337373178.db2.gz FFMHAEDKHPEFGU-UHFFFAOYSA-N 0 0 307.328 3.263 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C#N)[C@@H]1CC[C@@H]2O ZINC000584591661 337373501 /nfs/dbraw/zinc/37/35/01/337373501.db2.gz QKEOOUQJQIRVPS-ACJJDMNUSA-N 0 0 301.430 3.175 10 30 DGEERN N#Cc1ccc(-c2nnc(-c3cc(F)c(F)nc3F)o2)cc1 ZINC000584656508 337377944 /nfs/dbraw/zinc/37/79/44/337377944.db2.gz VGLPWNIVPVSWJM-UHFFFAOYSA-N 0 0 302.215 3.088 10 30 DGEERN Cc1ccc(-n2ncc(C(=O)N[C@@H](C#N)C3CC3)c2C(C)C)cc1 ZINC000161708696 337595454 /nfs/dbraw/zinc/59/54/54/337595454.db2.gz FGSHOPJDEZLPMO-KRWDZBQOSA-N 0 0 322.412 3.336 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C2CC2)cc1 ZINC000572200571 337596556 /nfs/dbraw/zinc/59/65/56/337596556.db2.gz ZGXKVOQUJUALMH-ROUUACIJSA-N 0 0 314.429 3.344 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000580448596 337678344 /nfs/dbraw/zinc/67/83/44/337678344.db2.gz PBIJVRPOCCQMFN-ZDUSSCGKSA-N 0 0 315.442 3.355 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000527485251 337744459 /nfs/dbraw/zinc/74/44/59/337744459.db2.gz LAEVDWQFLAFLEL-RHSMWYFYSA-N 0 0 306.406 3.011 10 30 DGEERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000108840509 337842377 /nfs/dbraw/zinc/84/23/77/337842377.db2.gz ISODKCJTYHEJNZ-BLLLJJGKSA-N 0 0 300.402 3.170 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@](C)(C(=O)OC)C1 ZINC000505058170 340160283 /nfs/dbraw/zinc/16/02/83/340160283.db2.gz QOVLRLREIBGVIO-SFHVURJKSA-N 0 0 316.401 3.222 10 30 DGEERN C=CCCCN(C)C(=O)c1csc(-c2ncccc2F)n1 ZINC000507417184 340218854 /nfs/dbraw/zinc/21/88/54/340218854.db2.gz GTZQBJFLOPGPIC-UHFFFAOYSA-N 0 0 305.378 3.382 10 30 DGEERN C=C(C)CCS[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000507863545 340234397 /nfs/dbraw/zinc/23/43/97/340234397.db2.gz YJUWIKGMMZCWMO-MRXNPFEDSA-N 0 0 318.486 3.423 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000508892277 340255259 /nfs/dbraw/zinc/25/52/59/340255259.db2.gz CFNBPYOAEQILPD-HOTGVXAUSA-N 0 0 323.444 3.461 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@H](C)C1 ZINC000508936886 340256052 /nfs/dbraw/zinc/25/60/52/340256052.db2.gz UOYUYJYDRMSBEQ-LBPRGKRZSA-N 0 0 300.381 3.425 10 30 DGEERN Cn1c(C(=O)N[C@@H](C#N)C2CC2)cc2cc(C(F)(F)F)ccc21 ZINC000173261524 340361226 /nfs/dbraw/zinc/36/12/26/340361226.db2.gz CXWFKGRXPUUXQT-LBPRGKRZSA-N 0 0 321.302 3.229 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](CC(C)C)C(=O)OC ZINC000512542423 340366209 /nfs/dbraw/zinc/36/62/09/340366209.db2.gz OZMMAZXBXJCLOB-KRWDZBQOSA-N 0 0 321.465 3.430 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000185468734 340501409 /nfs/dbraw/zinc/50/14/09/340501409.db2.gz VFEASUPNVKPVEF-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN CC#CCCCC(=O)NCc1ccc(Br)cc1OC ZINC000189336783 340534496 /nfs/dbraw/zinc/53/44/96/340534496.db2.gz CXHIQYIGLUMATR-UHFFFAOYSA-N 0 0 324.218 3.268 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000529455038 340756287 /nfs/dbraw/zinc/75/62/87/340756287.db2.gz JHDDIUJLWIXALI-FMPTWSOUSA-N 0 0 317.816 3.076 10 30 DGEERN CC#CCCNC(=O)CCOc1cccc(Cl)c1Cl ZINC000541747256 340982365 /nfs/dbraw/zinc/98/23/65/340982365.db2.gz SYNKXJVXVNQGEE-UHFFFAOYSA-N 0 0 300.185 3.292 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(C(=O)OCC)nc1 ZINC000542755812 341019548 /nfs/dbraw/zinc/01/95/48/341019548.db2.gz SKMXKAGNPPIRNP-UHFFFAOYSA-N 0 0 312.369 3.435 10 30 DGEERN CC1(C#N)CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 ZINC000542815994 341021822 /nfs/dbraw/zinc/02/18/22/341021822.db2.gz QETUESUPDVYOKP-UHFFFAOYSA-N 0 0 322.368 3.035 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000542895782 341025599 /nfs/dbraw/zinc/02/55/99/341025599.db2.gz NSBSTTDOLRADCJ-SFHVURJKSA-N 0 0 315.417 3.461 10 30 DGEERN CC#CCCNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000543605531 341050843 /nfs/dbraw/zinc/05/08/43/341050843.db2.gz RLQZJSPZLNFEHI-UHFFFAOYSA-N 0 0 306.431 3.184 10 30 DGEERN N#CCC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000543838133 341061125 /nfs/dbraw/zinc/06/11/25/341061125.db2.gz LWOMOGNJIXRJBX-UKRRQHHQSA-N 0 0 304.340 3.221 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000074876485 341154162 /nfs/dbraw/zinc/15/41/62/341154162.db2.gz XRNPFZWYWJWYDJ-OAHLLOKOSA-N 0 0 310.401 3.317 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@](C)(O)CCC(C)C)cc1 ZINC000075130101 341166891 /nfs/dbraw/zinc/16/68/91/341166891.db2.gz CTOLOSYHAISRGM-GOSISDBHSA-N 0 0 305.418 3.168 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 ZINC000547405088 341211558 /nfs/dbraw/zinc/21/15/58/341211558.db2.gz FOANHWLTVXGGKJ-HNNXBMFYSA-N 0 0 309.837 3.451 10 30 DGEERN C=CCCCCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000547464685 341215334 /nfs/dbraw/zinc/21/53/34/341215334.db2.gz ZBFSKRWNHHQNNG-UHFFFAOYSA-N 0 0 304.365 3.017 10 30 DGEERN C=C(C)[C@@H](NC(=O)NCC[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000547483464 341216489 /nfs/dbraw/zinc/21/64/89/341216489.db2.gz MYBJSHOAWDWSTF-MLGOLLRUSA-N 0 0 324.371 3.308 10 30 DGEERN C=CCOc1ccc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000134557032 341218211 /nfs/dbraw/zinc/21/82/11/341218211.db2.gz RWHKGGCABOFURM-YJBOKZPZSA-N 0 0 317.429 3.313 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)cc1 ZINC000079154770 341254556 /nfs/dbraw/zinc/25/45/56/341254556.db2.gz CQPDMROFELYMRW-UHFFFAOYSA-N 0 0 322.408 3.482 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC000548851886 341278047 /nfs/dbraw/zinc/27/80/47/341278047.db2.gz IFUUTMCATYKBHN-KBPBESRZSA-N 0 0 308.495 3.383 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC1 ZINC000549600442 341298532 /nfs/dbraw/zinc/29/85/32/341298532.db2.gz PWOLPRQRITUIOJ-HNNXBMFYSA-N 0 0 320.481 3.306 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)CCc1cccc(N(C)C)c1 ZINC000551647199 341348009 /nfs/dbraw/zinc/34/80/09/341348009.db2.gz UEFRWPYBQUDNSA-SFHVURJKSA-N 0 0 301.434 3.130 10 30 DGEERN CC(C)(C)c1csc(CS(=O)(=O)CCC(C)(C)C#N)n1 ZINC000555368844 341481292 /nfs/dbraw/zinc/48/12/92/341481292.db2.gz HKTWBEMYBHSSQK-UHFFFAOYSA-N 0 0 314.476 3.295 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C2CCC2)cn1 ZINC000564708087 341507403 /nfs/dbraw/zinc/50/74/03/341507403.db2.gz BGLCBRSAJQCCTG-CABCVRRESA-N 0 0 301.390 3.204 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000564739914 341508121 /nfs/dbraw/zinc/50/81/21/341508121.db2.gz JEVIFTIQUKIJTA-CQSZACIVSA-N 0 0 320.408 3.208 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccccc1C[S@@](C)=O ZINC000565171043 341519365 /nfs/dbraw/zinc/51/93/65/341519365.db2.gz OGBIHUTXMLVDRY-OAQYLSRUSA-N 0 0 308.447 3.433 10 30 DGEERN C=CCCCCCNC(=O)CCCn1c(=O)oc2ccccc21 ZINC000566421286 341557248 /nfs/dbraw/zinc/55/72/48/341557248.db2.gz YAFTXOIMVMDCFZ-UHFFFAOYSA-N 0 0 316.401 3.237 10 30 DGEERN C=CCCCCCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000566420337 341557353 /nfs/dbraw/zinc/55/73/53/341557353.db2.gz MEDQVSGWKODALZ-UHFFFAOYSA-N 0 0 314.429 3.440 10 30 DGEERN C=CCN1C(=O)N(CCCC2CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000567210372 341587606 /nfs/dbraw/zinc/58/76/06/341587606.db2.gz ORINUMNHLKLTLJ-QGZVFWFLSA-N 0 0 312.413 3.238 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000573017778 341713666 /nfs/dbraw/zinc/71/36/66/341713666.db2.gz PZRNSKBREDOHHF-IAGOWNOFSA-N 0 0 302.418 3.250 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000328623159 341735018 /nfs/dbraw/zinc/73/50/18/341735018.db2.gz IYRDLLSJQFUESK-DVOMOZLQSA-N 0 0 315.373 3.125 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000576053359 341822965 /nfs/dbraw/zinc/82/29/65/341822965.db2.gz LQXDHYVOLDAWBT-HNNXBMFYSA-N 0 0 320.458 3.178 10 30 DGEERN C=CCCCCCNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000577073577 341883571 /nfs/dbraw/zinc/88/35/71/341883571.db2.gz VBZBBEQHYDBPTI-UHFFFAOYSA-N 0 0 303.362 3.125 10 30 DGEERN N#Cc1cc(C(=O)NCC2CCC(C#N)CC2)ccc1Cl ZINC000577344823 341905114 /nfs/dbraw/zinc/90/51/14/341905114.db2.gz IRKOPGWRMWIQFA-UHFFFAOYSA-N 0 0 301.777 3.271 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000577383833 341907218 /nfs/dbraw/zinc/90/72/18/341907218.db2.gz KBMFVULEFWETFP-CYBMUJFWSA-N 0 0 315.417 3.288 10 30 DGEERN C[C@H](C#N)CNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000178503914 341956528 /nfs/dbraw/zinc/95/65/28/341956528.db2.gz BMANFHHTFBBRBZ-MNOVXSKESA-N 0 0 309.207 3.219 10 30 DGEERN C=C(Br)CNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000176009376 1176355582 /nfs/dbraw/zinc/35/55/82/1176355582.db2.gz UXIOPWGRQYGVMN-JTQLQIEISA-N 0 0 317.252 3.229 10 30 DGEERN CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCSC1 ZINC000231844000 1176813175 /nfs/dbraw/zinc/81/31/75/1176813175.db2.gz JUOCRQUMSYKTNJ-VIFPVBQESA-N 0 0 315.211 3.402 10 30 DGEERN N#Cc1ccc(CNC(=O)NCc2ccc(C(F)F)cc2)cc1 ZINC000183983365 501031935 /nfs/dbraw/zinc/03/19/35/501031935.db2.gz KNDRONTWVIDMSC-UHFFFAOYSA-N 0 0 315.323 3.495 10 30 DGEERN Cc1ccc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)s1 ZINC000183986027 533755801 /nfs/dbraw/zinc/75/58/01/533755801.db2.gz VAXOTIDSIDUCEJ-GOSISDBHSA-N 0 0 310.422 3.167 10 30 DGEERN C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1CCCCNC1=O ZINC000329534453 534142687 /nfs/dbraw/zinc/14/26/87/534142687.db2.gz KVJIKYMPBHFYSE-TZMCWYRMSA-N 0 0 304.390 3.426 10 30 DGEERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCC(C)(C)CCC#N ZINC000358699757 534233980 /nfs/dbraw/zinc/23/39/80/534233980.db2.gz VXBYQQZOHKQWTM-AWEZNQCLSA-N 0 0 317.433 3.295 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)[C@H]3CCn4ccnc4C3)sc2C1 ZINC000329439834 534269877 /nfs/dbraw/zinc/26/98/77/534269877.db2.gz MRVJYRCTKLPANK-MNOVXSKESA-N 0 0 316.430 3.315 10 30 DGEERN COC(=O)[C@@H](N[C@@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000176708044 534281804 /nfs/dbraw/zinc/28/18/04/534281804.db2.gz ZQKMFJPOSLYIHB-MOPGFXCFSA-N 0 0 320.392 3.440 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H]1COCC1(C)C)c1ccc(F)c(F)c1 ZINC000454820677 534338116 /nfs/dbraw/zinc/33/81/16/534338116.db2.gz UXVIIADDCMLSQT-GJZGRUSLSA-N 0 0 324.371 3.306 10 30 DGEERN C=C(CC)CNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000459083296 534407575 /nfs/dbraw/zinc/40/75/75/534407575.db2.gz GNDLCDICCATNCB-UHFFFAOYSA-N 0 0 300.402 3.231 10 30 DGEERN C=C(CNC(=O)N1CCC[C@@H](COC)CC1)c1ccccc1 ZINC000458757640 534430967 /nfs/dbraw/zinc/43/09/67/534430967.db2.gz KQLSRCIFSFPSKQ-MRXNPFEDSA-N 0 0 302.418 3.158 10 30 DGEERN O[C@H](CN[C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000122030587 534431305 /nfs/dbraw/zinc/43/13/05/534431305.db2.gz ILNHDVYTASPPAJ-APPZFPTMSA-N 0 0 323.183 3.081 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccn(CCC#N)n1)[C@@H](C)C2 ZINC000184031620 534436513 /nfs/dbraw/zinc/43/65/13/534436513.db2.gz BXQCOKQVDUSBNA-GUYCJALGSA-N 0 0 323.400 3.160 10 30 DGEERN C=CCn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453434365 534442203 /nfs/dbraw/zinc/44/22/03/534442203.db2.gz FLUJGIGTQVOMOG-MAUKXSAKSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N(C)C[C@H]2CC=CCC2)nnc1[C@@]1(C)CCCO1 ZINC000453432472 534443237 /nfs/dbraw/zinc/44/32/37/534443237.db2.gz BRPDXKZWPRRHSI-MAUKXSAKSA-N 0 0 316.449 3.282 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000455361126 534514894 /nfs/dbraw/zinc/51/48/94/534514894.db2.gz DDOQXDLDIINVCA-LBPRGKRZSA-N 0 0 323.387 3.055 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000494668587 534547822 /nfs/dbraw/zinc/54/78/22/534547822.db2.gz RXLYGABTKJLEHL-GOSISDBHSA-N 0 0 324.428 3.182 10 30 DGEERN N#CC1(CS(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180390780 534563541 /nfs/dbraw/zinc/56/35/41/534563541.db2.gz UKZRLHRFCQUSDF-AWEZNQCLSA-N 0 0 324.833 3.014 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000456264544 534564701 /nfs/dbraw/zinc/56/47/01/534564701.db2.gz FQZJFPDRNMPHKE-SJORKVTESA-N 0 0 317.454 3.117 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H](C)Cc1ccccc1C ZINC000455413590 534566150 /nfs/dbraw/zinc/56/61/50/534566150.db2.gz DNTIARPXIOBJDJ-NXHRZFHOSA-N 0 0 316.445 3.301 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)cc(OC)c1C ZINC000455286157 534567568 /nfs/dbraw/zinc/56/75/68/534567568.db2.gz TZDXVTJLRBFRBC-HIFRSBDPSA-N 0 0 304.390 3.167 10 30 DGEERN N#CC1(NC(=O)CCc2ccccc2Br)CCCC1 ZINC000124829557 534568672 /nfs/dbraw/zinc/56/86/72/534568672.db2.gz CPUYBTWXNXMSGR-UHFFFAOYSA-N 0 0 321.218 3.334 10 30 DGEERN N#CC1(c2ccc(C(=O)NC3Cc4ccccc4C3)cc2)CC1 ZINC000185749144 534574254 /nfs/dbraw/zinc/57/42/54/534574254.db2.gz OHZOICZOYRZFSU-UHFFFAOYSA-N 0 0 302.377 3.139 10 30 DGEERN N#CC1CCC(CNC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000440995066 534580469 /nfs/dbraw/zinc/58/04/69/534580469.db2.gz YOAJXPKMMYKJFP-UHFFFAOYSA-N 0 0 307.344 3.094 10 30 DGEERN C=CCC1(C(=O)Nc2cc(CCOC)nn2C)CCCCC1 ZINC000450209226 534593228 /nfs/dbraw/zinc/59/32/28/534593228.db2.gz URQQOLPKGINGAS-UHFFFAOYSA-N 0 0 305.422 3.074 10 30 DGEERN C=CCC1(CNC(=O)N2CCOC[C@@H]2CC(F)F)CCCC1 ZINC000459047795 534600163 /nfs/dbraw/zinc/60/01/63/534600163.db2.gz CUMPNSLAYWULBK-ZDUSSCGKSA-N 0 0 316.392 3.189 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCc1nc(C)c(Br)s1 ZINC000452393974 534613045 /nfs/dbraw/zinc/61/30/45/534613045.db2.gz CJCFLGCCEHCLPK-LBPRGKRZSA-N 0 0 317.252 3.433 10 30 DGEERN C=C[C@H](CC(=O)NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000462368394 534674349 /nfs/dbraw/zinc/67/43/49/534674349.db2.gz GSKPQRNMEKKYBK-OAHLLOKOSA-N 0 0 323.440 3.275 10 30 DGEERN C=CCCCCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000472854257 534685283 /nfs/dbraw/zinc/68/52/83/534685283.db2.gz PRNGWWPTGLTKSB-ZDUSSCGKSA-N 0 0 323.387 3.199 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454878487 534726497 /nfs/dbraw/zinc/72/64/97/534726497.db2.gz STIGGVOZUICOPY-OAHLLOKOSA-N 0 0 317.389 3.450 10 30 DGEERN CCn1ncc(C(=O)/C=C\c2cc(OC)ccc2OC)c1C ZINC000033523239 523689299 /nfs/dbraw/zinc/68/92/99/523689299.db2.gz QLKZKGHNNKITTL-VURMDHGXSA-N 0 0 300.358 3.125 10 30 DGEERN C=CCCCNC(=O)NC[C@H](COC)c1ccc(Cl)cc1 ZINC000454868037 534727502 /nfs/dbraw/zinc/72/75/02/534727502.db2.gz DOCOEXYFAJRPIZ-CQSZACIVSA-N 0 0 310.825 3.335 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000456764064 534787937 /nfs/dbraw/zinc/78/79/37/534787937.db2.gz HYCRREZGJRBWPD-PBHICJAKSA-N 0 0 317.429 3.072 10 30 DGEERN COc1ccccc1NC(=S)N=NCc1ccc(O)cc1 ZINC000008693901 524532811 /nfs/dbraw/zinc/53/28/11/524532811.db2.gz PLWQDUUWXYBUQS-MHWRWJLKSA-N 0 0 301.371 3.133 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1ccccc1Cc1ccccc1 ZINC000456760699 534791937 /nfs/dbraw/zinc/79/19/37/534791937.db2.gz VLLKQYUCUBJCAA-SFHVURJKSA-N 0 0 309.409 3.334 10 30 DGEERN N#Cc1ccnc(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)n1 ZINC000295682116 534821881 /nfs/dbraw/zinc/82/18/81/534821881.db2.gz MJECBYLTLXJOHW-UHFFFAOYSA-N 0 0 321.359 3.353 10 30 DGEERN Cc1ccc(C#N)c(N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000161820671 525994113 /nfs/dbraw/zinc/99/41/13/525994113.db2.gz JCZFUKAUHSVYEN-CYBMUJFWSA-N 0 0 313.792 3.001 10 30 DGEERN CC#CCCCC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374239001 526293233 /nfs/dbraw/zinc/29/32/33/526293233.db2.gz CMIBLODMXDHKQK-KRWDZBQOSA-N 0 0 324.424 3.131 10 30 DGEERN C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C)o1 ZINC000358458176 526314538 /nfs/dbraw/zinc/31/45/38/526314538.db2.gz DMXAAKVESLKUSP-UHFFFAOYSA-N 0 0 305.399 3.007 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Nc1c(C)onc1CC ZINC000352817647 526320585 /nfs/dbraw/zinc/32/05/85/526320585.db2.gz IVNQZKDKKIXGJE-UHFFFAOYSA-N 0 0 303.362 3.401 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352598265 526322834 /nfs/dbraw/zinc/32/28/34/526322834.db2.gz OWRJIIXLRIXVTJ-UHFFFAOYSA-N 0 0 314.341 3.367 10 30 DGEERN CC#CCCNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000361556485 526327082 /nfs/dbraw/zinc/32/70/82/526327082.db2.gz HTDJJHNWORWPNF-INIZCTEOSA-N 0 0 314.433 3.088 10 30 DGEERN C=CCN(Cc1ccc(-n2cncn2)c(C)c1)CC(F)(F)F ZINC000092471813 526332189 /nfs/dbraw/zinc/33/21/89/526332189.db2.gz BNEHUSKHNDYOPB-UHFFFAOYSA-N 0 0 310.323 3.126 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(CC)oc1C ZINC000351588701 526346463 /nfs/dbraw/zinc/34/64/63/526346463.db2.gz JOSYVQGGAQFLFZ-UHFFFAOYSA-N 0 0 309.369 3.246 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176947294 526347908 /nfs/dbraw/zinc/34/79/08/526347908.db2.gz KNQHCMPVXRQGFQ-HZPDHXFCSA-N 0 0 300.358 3.156 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccncc1 ZINC000063320213 526348643 /nfs/dbraw/zinc/34/86/43/526348643.db2.gz YBLHINOZIUPEHH-UHFFFAOYSA-N 0 0 312.329 3.210 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nnc(CC)o1 ZINC000411187611 526350114 /nfs/dbraw/zinc/35/01/14/526350114.db2.gz BLHWOOZYNJNECE-LBPRGKRZSA-N 0 0 316.361 3.289 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1ccc(COC)o1 ZINC000341105574 526364497 /nfs/dbraw/zinc/36/44/97/526364497.db2.gz JUVJTJBQCJSSTR-UHFFFAOYSA-N 0 0 303.333 3.394 10 30 DGEERN CNC(=O)C1CCC(NC(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329237375 526395517 /nfs/dbraw/zinc/39/55/17/526395517.db2.gz KFMRQFRROITHNV-CPCZMJQVSA-N 0 0 309.410 3.235 10 30 DGEERN N#CCCN/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000008580895 526458772 /nfs/dbraw/zinc/45/87/72/526458772.db2.gz SDDMTICLYXAULE-QJOMJCCJSA-N 0 0 303.369 3.013 10 30 DGEERN C=C(C)CN(CC)c1nnc(-c2ccoc2)n1CCCOCC ZINC000359077481 526550953 /nfs/dbraw/zinc/55/09/53/526550953.db2.gz RFESXCVWUKREEO-UHFFFAOYSA-N 0 0 318.421 3.367 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(F)c1C#N ZINC000428959600 526560372 /nfs/dbraw/zinc/56/03/72/526560372.db2.gz YQSAGCAMYCDMRE-UHFFFAOYSA-N 0 0 314.360 3.361 10 30 DGEERN C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)o1 ZINC000359763529 526568278 /nfs/dbraw/zinc/56/82/78/526568278.db2.gz CXUMLUCYYQCKAZ-UHFFFAOYSA-N 0 0 305.399 3.355 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[C@H]1C ZINC000358284502 526570856 /nfs/dbraw/zinc/57/08/56/526570856.db2.gz MCKHOGFCPYJGMN-GDBMZVCRSA-N 0 0 304.438 3.350 10 30 DGEERN C=CCNC(=O)c1ccc(NC2CCC(C(F)F)CC2)nc1 ZINC000413454995 526653285 /nfs/dbraw/zinc/65/32/85/526653285.db2.gz WPMSFLQXUAHTLI-UHFFFAOYSA-N 0 0 309.360 3.233 10 30 DGEERN C=C(C)COCCNC(=O)c1sc(C2CCCC2)nc1C ZINC000132616632 526654422 /nfs/dbraw/zinc/65/44/22/526654422.db2.gz PRCJHKFENVFBFS-UHFFFAOYSA-N 0 0 308.447 3.432 10 30 DGEERN C#CCC(C)(C)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000185669142 526664391 /nfs/dbraw/zinc/66/43/91/526664391.db2.gz RVDDNASWUNIANO-CJNGLKHVSA-N 0 0 303.377 3.164 10 30 DGEERN C#CCC1(C(=O)Nc2cccc3c2OCC[C@@H]3O)CCCCC1 ZINC000365067079 526677486 /nfs/dbraw/zinc/67/74/86/526677486.db2.gz BINUWDCTTGEJAE-INIZCTEOSA-N 0 0 313.397 3.415 10 30 DGEERN C=CCNc1ncc(C(=O)N(CCC)C[C@@H]2CCCCO2)s1 ZINC000136263142 526679784 /nfs/dbraw/zinc/67/97/84/526679784.db2.gz LWPPPZQUPIKANN-ZDUSSCGKSA-N 0 0 323.462 3.162 10 30 DGEERN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cn3ccnc3s2)CCO1 ZINC000329835225 526679705 /nfs/dbraw/zinc/67/97/05/526679705.db2.gz LZKJIKYXXQXJJA-PWSUYJOCSA-N 0 0 307.419 3.294 10 30 DGEERN C#CCCCCC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000120238379 526689090 /nfs/dbraw/zinc/68/90/90/526689090.db2.gz HVHUQCYAHKHCNT-KRWDZBQOSA-N 0 0 315.413 3.299 10 30 DGEERN C=CCOCC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000354628490 526693798 /nfs/dbraw/zinc/69/37/98/526693798.db2.gz WPGXBAZVDINRML-LBPRGKRZSA-N 0 0 311.784 3.215 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC[C@H]1c2cc(CC)ccc2NC1=O ZINC000343605963 526698622 /nfs/dbraw/zinc/69/86/22/526698622.db2.gz QFMSVCLFOOXDQE-HIFRSBDPSA-N 0 0 314.429 3.393 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000185267886 526699330 /nfs/dbraw/zinc/69/93/30/526699330.db2.gz KOJQGMOFUWKCGW-CYBMUJFWSA-N 0 0 301.365 3.230 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000185170427 526700581 /nfs/dbraw/zinc/70/05/81/526700581.db2.gz HPOVDAFYEQGQHA-WBVHZDCISA-N 0 0 314.429 3.069 10 30 DGEERN C#CCCCCNC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000151478056 526701228 /nfs/dbraw/zinc/70/12/28/526701228.db2.gz MCENMASITQINPE-UHFFFAOYSA-N 0 0 307.397 3.351 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CCC(=O)OC)c1ccccc1 ZINC000185488720 526702062 /nfs/dbraw/zinc/70/20/62/526702062.db2.gz QVBDHOWKTISZDA-GDBMZVCRSA-N 0 0 303.402 3.399 10 30 DGEERN C#CCCCCNC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000159624739 526702275 /nfs/dbraw/zinc/70/22/75/526702275.db2.gz DTYNRQWDRBQAQX-UHFFFAOYSA-N 0 0 307.397 3.351 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000185282795 526703299 /nfs/dbraw/zinc/70/32/99/526703299.db2.gz OJRRKPOQDJOYCX-CJNGLKHVSA-N 0 0 316.401 3.345 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000185328850 526703642 /nfs/dbraw/zinc/70/36/42/526703642.db2.gz RJFNCEBOZNNQPO-CYBMUJFWSA-N 0 0 314.385 3.271 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000185134720 526704629 /nfs/dbraw/zinc/70/46/29/526704629.db2.gz MOISUQOVMPTYII-BUUCAEBMSA-N 0 0 318.369 3.389 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)NCc2ccc(C)cc2)no1 ZINC000289026288 526705341 /nfs/dbraw/zinc/70/53/41/526705341.db2.gz IYENJDJUUIXPEI-CQSZACIVSA-N 0 0 313.401 3.307 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000344904255 526709654 /nfs/dbraw/zinc/70/96/54/526709654.db2.gz RFTRDBVSOHYOAJ-KKUMJFAQSA-N 0 0 308.466 3.083 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC[C@H]1c2cc(CC)ccc2NC1=O ZINC000343605965 526710490 /nfs/dbraw/zinc/71/04/90/526710490.db2.gz QFMSVCLFOOXDQE-ZFWWWQNUSA-N 0 0 314.429 3.393 10 30 DGEERN C#CCCCNC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000173512249 526711662 /nfs/dbraw/zinc/71/16/62/526711662.db2.gz JFZSEWLOADQDTL-ZDUSSCGKSA-N 0 0 305.447 3.008 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000185267870 526711794 /nfs/dbraw/zinc/71/17/94/526711794.db2.gz KOJQGMOFUWKCGW-ZDUSSCGKSA-N 0 0 301.365 3.230 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000185093568 526711829 /nfs/dbraw/zinc/71/18/29/526711829.db2.gz PNIANSCLRWQTEY-KBPBESRZSA-N 0 0 306.475 3.213 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CCC(=O)OC)Cc1ccccc1 ZINC000184976884 526712517 /nfs/dbraw/zinc/71/25/17/526712517.db2.gz PGHOAFMJMSEBRK-DOTOQJQBSA-N 0 0 317.429 3.269 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000185819092 526713632 /nfs/dbraw/zinc/71/36/32/526713632.db2.gz HGCFJJWEOAGRRS-STQMWFEESA-N 0 0 308.372 3.262 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337403136 526713660 /nfs/dbraw/zinc/71/36/60/526713660.db2.gz IBCUYJRMHJVJMX-FUHWJXTLSA-N 0 0 324.424 3.308 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc(C(=O)OC)c(C2CC2)s1 ZINC000429503328 526714610 /nfs/dbraw/zinc/71/46/10/526714610.db2.gz LYEGYXXMIJVAGY-VIFPVBQESA-N 0 0 308.403 3.348 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000184986188 526714629 /nfs/dbraw/zinc/71/46/29/526714629.db2.gz DSDRGBUIUZUIRR-ZDUSSCGKSA-N 0 0 316.401 3.363 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1N1CCC(O)CC1 ZINC000185438111 526714892 /nfs/dbraw/zinc/71/48/92/526714892.db2.gz FPZXIEQOQWTKTB-AWEZNQCLSA-N 0 0 302.418 3.189 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(CCC#N)CC1CC1 ZINC000358830208 526718869 /nfs/dbraw/zinc/71/88/69/526718869.db2.gz NMUGNRFEWVUVBV-UHFFFAOYSA-N 0 0 311.389 3.244 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000173604133 526731474 /nfs/dbraw/zinc/73/14/74/526731474.db2.gz BXGKGFYHVYKWAC-QGZVFWFLSA-N 0 0 305.393 3.342 10 30 DGEERN C=CCOCCCC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000188431537 526738454 /nfs/dbraw/zinc/73/84/54/526738454.db2.gz LLKJDBHUQNMOFG-UHFFFAOYSA-N 0 0 314.429 3.128 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCCCC[C@H]1C ZINC000359110135 526739858 /nfs/dbraw/zinc/73/98/58/526739858.db2.gz XYXRHPSQHOJZFL-CABCVRRESA-N 0 0 304.438 3.127 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000367094844 526773512 /nfs/dbraw/zinc/77/35/12/526773512.db2.gz RULCONYCSKYENZ-CBZIJGRNSA-N 0 0 306.450 3.189 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCc1cccc(F)c1 ZINC000437700760 526774556 /nfs/dbraw/zinc/77/45/56/526774556.db2.gz CUYOJYXWMUCLQR-WBVHZDCISA-N 0 0 320.408 3.039 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC000295059885 526781153 /nfs/dbraw/zinc/78/11/53/526781153.db2.gz CCYNXAGWQHBMMZ-ZBFHGGJFSA-N 0 0 312.369 3.053 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1ccccc1OCC ZINC000437512946 526793487 /nfs/dbraw/zinc/79/34/87/526793487.db2.gz FSDPUXSMPKXENS-LPHOPBHVSA-N 0 0 317.429 3.115 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1)OCC ZINC000339514636 526806027 /nfs/dbraw/zinc/80/60/27/526806027.db2.gz CFYRKZVGDSIVRQ-FHLIZLRMSA-N 0 0 317.429 3.208 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(OC)c(F)c1)OCC ZINC000339378834 526815558 /nfs/dbraw/zinc/81/55/58/526815558.db2.gz QNDQEEJCBRQTQK-WBMJQRKESA-N 0 0 309.381 3.383 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)OCC ZINC000357682533 526815715 /nfs/dbraw/zinc/81/57/15/526815715.db2.gz PNRJHBSMDIVHIY-ZIFCJYIRSA-N 0 0 317.429 3.252 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CC(C)=C[C@H](C)C1 ZINC000435267994 526824977 /nfs/dbraw/zinc/82/49/77/526824977.db2.gz LKTXZLKAWXODEP-ZDUSSCGKSA-N 0 0 301.386 3.298 10 30 DGEERN C=CCOc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1OC ZINC000338300729 526836180 /nfs/dbraw/zinc/83/61/80/526836180.db2.gz BZICDMZRXJEKST-ZDUSSCGKSA-N 0 0 314.385 3.024 10 30 DGEERN C=CCOc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)cc1OC ZINC000338300727 526836692 /nfs/dbraw/zinc/83/66/92/526836692.db2.gz BZICDMZRXJEKST-CYBMUJFWSA-N 0 0 314.385 3.024 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000353885992 526849305 /nfs/dbraw/zinc/84/93/05/526849305.db2.gz HYUOKPKSRXFUFN-KRWDZBQOSA-N 0 0 310.328 3.385 10 30 DGEERN C=C(CNC(=O)NC[C@@](C)(O)CCC(C)C)c1ccccc1 ZINC000358595952 526872084 /nfs/dbraw/zinc/87/20/84/526872084.db2.gz VQFKWDNEWAAGCV-SFHVURJKSA-N 0 0 304.434 3.186 10 30 DGEERN C=C(CNC(=O)NC[C@]1(O)CCCC(C)(C)C1)c1ccccc1 ZINC000358582502 526872260 /nfs/dbraw/zinc/87/22/60/526872260.db2.gz FPQQMQWKHWMUIR-IBGZPJMESA-N 0 0 316.445 3.330 10 30 DGEERN C=C(CNC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000345830650 526879845 /nfs/dbraw/zinc/87/98/45/526879845.db2.gz DGMCXKFVJZLALG-UHFFFAOYSA-N 0 0 320.392 3.022 10 30 DGEERN C=C(CNC(=O)c1ccnc(N2CC[C@H](C)C2)c1)c1ccccc1 ZINC000360226845 526880336 /nfs/dbraw/zinc/88/03/36/526880336.db2.gz QRIFQMNTOVEYSU-HNNXBMFYSA-N 0 0 321.424 3.371 10 30 DGEERN C=C1CCN(c2nnc(CCC(C)C)n2C[C@H]2CCOC2)CC1 ZINC000339160776 526909132 /nfs/dbraw/zinc/90/91/32/526909132.db2.gz WXOBNQWDGMYFGQ-MRXNPFEDSA-N 0 0 318.465 3.060 10 30 DGEERN C=C1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCCO2)CC1 ZINC000339020623 526909415 /nfs/dbraw/zinc/90/94/15/526909415.db2.gz IREKPSVPNIBESP-INIZCTEOSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000358988314 526926655 /nfs/dbraw/zinc/92/66/55/526926655.db2.gz YUSPYLAHDDXLTE-UHFFFAOYSA-N 0 0 322.364 3.062 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1nnc(C(C)C)s1 ZINC000442547564 526948986 /nfs/dbraw/zinc/94/89/86/526948986.db2.gz PKHCDKSUTCWIEC-UHFFFAOYSA-N 0 0 317.414 3.156 10 30 DGEERN C=CCOc1cccnc1C(=O)NCCCc1cccc(F)c1 ZINC000341528269 526960571 /nfs/dbraw/zinc/96/05/71/526960571.db2.gz GDBWJRYKVIPQRC-UHFFFAOYSA-N 0 0 314.360 3.148 10 30 DGEERN C=CC1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000340160021 526963653 /nfs/dbraw/zinc/96/36/53/526963653.db2.gz REAYEWIPCPPCNZ-UHFFFAOYSA-N 0 0 314.248 3.478 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000341450995 526967299 /nfs/dbraw/zinc/96/72/99/526967299.db2.gz GFPVTGFTLFYYHW-CYBMUJFWSA-N 0 0 314.385 3.299 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000413882471 526968633 /nfs/dbraw/zinc/96/86/33/526968633.db2.gz QKEZPNIHUHIJOG-MRXNPFEDSA-N 0 0 317.408 3.012 10 30 DGEERN C=CCSCCNC(=O)Nc1cc(OC)cc(OC)c1C ZINC000337557158 526996210 /nfs/dbraw/zinc/99/62/10/526996210.db2.gz HGCYWMDBCSRMJX-UHFFFAOYSA-N 0 0 310.419 3.053 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCC=C(Br)C1 ZINC000292664023 527004971 /nfs/dbraw/zinc/00/49/71/527004971.db2.gz CXFLFBMDEGEJRU-UHFFFAOYSA-N 0 0 301.228 3.283 10 30 DGEERN C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cn1)c1ccccc1 ZINC000348553739 527017419 /nfs/dbraw/zinc/01/74/19/527017419.db2.gz OVURPIZDUSTGNP-MRXNPFEDSA-N 0 0 323.396 3.082 10 30 DGEERN C=CCC(C)(C)c1noc(C[C@H](NC(C)=O)c2ccccc2)n1 ZINC000340831773 527021186 /nfs/dbraw/zinc/02/11/86/527021186.db2.gz UFXGRGDSGNNYSU-HNNXBMFYSA-N 0 0 313.401 3.343 10 30 DGEERN C=CC[C@@H](C)NC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000176866001 527021701 /nfs/dbraw/zinc/02/17/01/527021701.db2.gz KLUOAQWDUALMJL-VXGBXAGGSA-N 0 0 311.451 3.347 10 30 DGEERN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000132293952 527021945 /nfs/dbraw/zinc/02/19/45/527021945.db2.gz BEELQQIWLBMRRF-KRWDZBQOSA-N 0 0 312.413 3.019 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000130300026 527032027 /nfs/dbraw/zinc/03/20/27/527032027.db2.gz JUTDZMHFRVQTTO-INIZCTEOSA-N 0 0 310.401 3.087 10 30 DGEERN C=CCC1(C(=O)N(C)CCOc2cccc(C)c2)CCOCC1 ZINC000424569300 527038455 /nfs/dbraw/zinc/03/84/55/527038455.db2.gz UTIHVNFKSXEEMV-UHFFFAOYSA-N 0 0 317.429 3.205 10 30 DGEERN C#CCNC(=O)c1ccc(N[C@H](C)c2ccc(OCC)cc2)nc1 ZINC000301235043 527040008 /nfs/dbraw/zinc/04/00/08/527040008.db2.gz LINSYVGMLFACPO-CQSZACIVSA-N 0 0 323.396 3.016 10 30 DGEERN C=CCC1(C(=O)N2CCN(c3ncc(CC)s3)CC2)CCC1 ZINC000359322822 527044835 /nfs/dbraw/zinc/04/48/35/527044835.db2.gz OZRLTMLTEONADH-UHFFFAOYSA-N 0 0 319.474 3.101 10 30 DGEERN C=CCC1(C(=O)NCCCc2ccccc2F)CCOCC1 ZINC000424808934 527053078 /nfs/dbraw/zinc/05/30/78/527053078.db2.gz HRQDBJAEBFKSEI-UHFFFAOYSA-N 0 0 305.393 3.247 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC000424735933 527056358 /nfs/dbraw/zinc/05/63/58/527056358.db2.gz JTIJAPREXJSVLP-HNNXBMFYSA-N 0 0 317.429 3.202 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2COc3c2ccc(C)c3C)CCOCC1 ZINC000424654088 527057929 /nfs/dbraw/zinc/05/79/29/527057929.db2.gz YKOQCYXZSRBWLE-MRXNPFEDSA-N 0 0 315.413 3.226 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-n3cccn3)cc2)CCOCC1 ZINC000424583740 527060067 /nfs/dbraw/zinc/06/00/67/527060067.db2.gz NNLLQMUDHYHXKI-UHFFFAOYSA-N 0 0 311.385 3.184 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000341760685 527069092 /nfs/dbraw/zinc/06/90/92/527069092.db2.gz MXLQLOWRBBHBSW-SECBINFHSA-N 0 0 320.286 3.151 10 30 DGEERN C=CCCC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000431165518 527077270 /nfs/dbraw/zinc/07/72/70/527077270.db2.gz DXTCEOZCLMXXFE-UHFFFAOYSA-N 0 0 323.396 3.259 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000440995805 527093381 /nfs/dbraw/zinc/09/33/81/527093381.db2.gz ADDMQPLBLCZNRC-DOTOQJQBSA-N 0 0 316.445 3.326 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000183478664 527094520 /nfs/dbraw/zinc/09/45/20/527094520.db2.gz SROXPLSXTKFFSH-WFASDCNBSA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000353714748 527096144 /nfs/dbraw/zinc/09/61/44/527096144.db2.gz UIXRQFRBIBYSQY-HNNXBMFYSA-N 0 0 311.385 3.116 10 30 DGEERN C#CCOc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911914 527115213 /nfs/dbraw/zinc/11/52/13/527115213.db2.gz XYAWVDBJIHGCPU-HUUCEWRRSA-N 0 0 324.428 3.038 10 30 DGEERN C=CC[C@@H]1N(C(=O)NCc2cccc(OC)n2)CCCC1(C)C ZINC000445028589 527117047 /nfs/dbraw/zinc/11/70/47/527117047.db2.gz CQLUFZWWIAWFKG-HNNXBMFYSA-N 0 0 317.433 3.367 10 30 DGEERN C=CCCCCCN(C)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000156868967 527126263 /nfs/dbraw/zinc/12/62/63/527126263.db2.gz BCSVANDXYNPBSG-AWEZNQCLSA-N 0 0 307.463 3.317 10 30 DGEERN C=CC[C@H](C)NC(=O)NCc1cc(F)cc(Br)c1 ZINC000116943715 527130230 /nfs/dbraw/zinc/13/02/30/527130230.db2.gz IBQKKNFWYWJJJG-VIFPVBQESA-N 0 0 315.186 3.352 10 30 DGEERN C=CCCCCN1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000349128400 527138722 /nfs/dbraw/zinc/13/87/22/527138722.db2.gz MTMRDFKZPFGMPL-UHFFFAOYSA-N 0 0 308.328 3.085 10 30 DGEERN C#CCSCCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000121526489 527140196 /nfs/dbraw/zinc/14/01/96/527140196.db2.gz MAUUNSHOLVRWCD-UHFFFAOYSA-N 0 0 306.431 3.100 10 30 DGEERN C=CCCCCNC(=O)C(=O)Nc1csc2ccccc12 ZINC000352173190 527145377 /nfs/dbraw/zinc/14/53/77/527145377.db2.gz YUIXUBGOXIDXDZ-UHFFFAOYSA-N 0 0 302.399 3.312 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000281231808 527159154 /nfs/dbraw/zinc/15/91/54/527159154.db2.gz CFKYBHVZXUUWKA-NSHDSACASA-N 0 0 308.378 3.189 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000367338938 527160673 /nfs/dbraw/zinc/16/06/73/527160673.db2.gz GXKMDVYCPZGBEY-SWDXFRIISA-N 0 0 323.436 3.133 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000337089001 527162065 /nfs/dbraw/zinc/16/20/65/527162065.db2.gz IARWFCNDWTTWJY-NSHDSACASA-N 0 0 320.343 3.289 10 30 DGEERN C=CCCCCNC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434896018 527162484 /nfs/dbraw/zinc/16/24/84/527162484.db2.gz MLWOYSUMVNPOTQ-UHFFFAOYSA-N 0 0 322.405 3.499 10 30 DGEERN C=CCCCCNc1cc(Br)cc(F)c1C(N)=O ZINC000351542715 527171081 /nfs/dbraw/zinc/17/10/81/527171081.db2.gz HQJBLMMCAKKWRH-UHFFFAOYSA-N 0 0 315.186 3.455 10 30 DGEERN C=CCCCN(C)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185234104 527184642 /nfs/dbraw/zinc/18/46/42/527184642.db2.gz MXZKNIBKLVZPBF-UHFFFAOYSA-N 0 0 312.417 3.479 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@]1(C)OCCc2sccc21 ZINC000291298526 527184699 /nfs/dbraw/zinc/18/46/99/527184699.db2.gz TZABLDJKYFYDRV-INIZCTEOSA-N 0 0 308.447 3.144 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000151400446 527186735 /nfs/dbraw/zinc/18/67/35/527186735.db2.gz INCGCGXSEBGVQG-CYBMUJFWSA-N 0 0 323.387 3.151 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC000360417425 527186766 /nfs/dbraw/zinc/18/67/66/527186766.db2.gz CCHWKLASBQQHOB-OAHLLOKOSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000346753378 527187412 /nfs/dbraw/zinc/18/74/12/527187412.db2.gz GKJDTTVFQJHRGA-CYBMUJFWSA-N 0 0 320.820 3.118 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000180824970 527188947 /nfs/dbraw/zinc/18/89/47/527188947.db2.gz OQVZPHZAZIWRFA-CQSZACIVSA-N 0 0 305.418 3.307 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000346801749 527189224 /nfs/dbraw/zinc/18/92/24/527189224.db2.gz YRUYOIWTVXTNIW-INIZCTEOSA-N 0 0 314.429 3.027 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000185694146 527192478 /nfs/dbraw/zinc/19/24/78/527192478.db2.gz GGMGEQXOEYXBGI-SNVBAGLBSA-N 0 0 322.257 3.431 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000185861258 527193297 /nfs/dbraw/zinc/19/32/97/527193297.db2.gz BWWSCLLFEHPRQV-OAHLLOKOSA-N 0 0 307.821 3.205 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccoc2)n1C[C@@H]1CCCO1 ZINC000339019239 527194962 /nfs/dbraw/zinc/19/49/62/527194962.db2.gz BCRBUYUOZAIGKY-HNNXBMFYSA-N 0 0 316.405 3.120 10 30 DGEERN C=CCCCN(C)c1nnc(CC2CC2)n1C[C@H]1CCCCO1 ZINC000339153969 527195301 /nfs/dbraw/zinc/19/53/01/527195301.db2.gz JFAOQZPMZALGPD-MRXNPFEDSA-N 0 0 318.465 3.202 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000183733200 527197208 /nfs/dbraw/zinc/19/72/08/527197208.db2.gz HUMAIEBKEHZFHC-GOEBONIOSA-N 0 0 320.433 3.019 10 30 DGEERN C=CCCCN1C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C1=O ZINC000358800267 527197496 /nfs/dbraw/zinc/19/74/96/527197496.db2.gz LWQYOUSSWHHTKQ-DOTOQJQBSA-N 0 0 312.413 3.383 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000186254865 527202757 /nfs/dbraw/zinc/20/27/57/527202757.db2.gz AUOUFBWQWUYNMW-LLVKDONJSA-N 0 0 302.296 3.072 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000349654467 527203137 /nfs/dbraw/zinc/20/31/37/527203137.db2.gz JKLUUQJAGUECRG-CYBMUJFWSA-N 0 0 319.792 3.189 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1N(C)c1ccccc1 ZINC000185886640 527207939 /nfs/dbraw/zinc/20/79/39/527207939.db2.gz AQRSTOWXPHESSS-OAHLLOKOSA-N 0 0 310.397 3.121 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000413823728 527214472 /nfs/dbraw/zinc/21/44/72/527214472.db2.gz ARTMHUGGSUKJKF-QZTJIDSGSA-N 0 0 318.461 3.222 10 30 DGEERN C=CCCCNC(=O)N1CCc2c1cccc2Br ZINC000422195645 527218794 /nfs/dbraw/zinc/21/87/94/527218794.db2.gz BZPQFCQRAQTFOD-UHFFFAOYSA-N 0 0 309.207 3.487 10 30 DGEERN C=CC[C@H]1N(C(=O)N[C@@H](C)CCC(=O)OCC)CCCC1(C)C ZINC000445213891 527225340 /nfs/dbraw/zinc/22/53/40/527225340.db2.gz ANRIWNLCUFMCKV-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCCCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000357486730 527225372 /nfs/dbraw/zinc/22/53/72/527225372.db2.gz NKLVCEQVLSARBI-GOSISDBHSA-N 0 0 322.408 3.240 10 30 DGEERN C=CCc1cc(CNC(=O)C2(CCF)CC2)cc(OC)c1OC ZINC000353777926 527239656 /nfs/dbraw/zinc/23/96/56/527239656.db2.gz YMEMAQGOCQVTLI-UHFFFAOYSA-N 0 0 321.392 3.188 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191718023 527247109 /nfs/dbraw/zinc/24/71/09/527247109.db2.gz QNNITJRWNDHNNG-AWEZNQCLSA-N 0 0 317.341 3.188 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CC(C)=C[C@@H](C)C2)c(OC)c1 ZINC000435268268 527248375 /nfs/dbraw/zinc/24/83/75/527248375.db2.gz MFXSUADKZKPRAV-CQSZACIVSA-N 0 0 315.413 3.227 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cnc2n[nH]nc2c1 ZINC000356844140 527261234 /nfs/dbraw/zinc/26/12/34/527261234.db2.gz VLZDAGXYJICRHE-UHFFFAOYSA-N 0 0 321.384 3.457 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000181097485 527262423 /nfs/dbraw/zinc/26/24/23/527262423.db2.gz DVSKGTYDQPEVFZ-UKRRQHHQSA-N 0 0 320.437 3.087 10 30 DGEERN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCOC[C@H]1C ZINC000289580322 527266421 /nfs/dbraw/zinc/26/64/21/527266421.db2.gz HJBITEILEKFVEP-CYBMUJFWSA-N 0 0 324.384 3.102 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1ccco1 ZINC000350741347 527269888 /nfs/dbraw/zinc/26/98/88/527269888.db2.gz NZQYARAFYUQIQR-AWEZNQCLSA-N 0 0 309.373 3.394 10 30 DGEERN C=CCn1c(-c2ccccn2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000350623304 527275293 /nfs/dbraw/zinc/27/52/93/527275293.db2.gz NCRGYZMHYOTEKH-CQSZACIVSA-N 0 0 309.417 3.295 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC000337841149 527281080 /nfs/dbraw/zinc/28/10/80/527281080.db2.gz FMXQMKSSLHTURO-AWEZNQCLSA-N 0 0 318.446 3.302 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000181414337 527287107 /nfs/dbraw/zinc/28/71/07/527287107.db2.gz SMEZBBPUHTYKOK-GOEBONIOSA-N 0 0 304.438 3.110 10 30 DGEERN CC(=O)c1ccc(NC(=O)NC[C@]2(C)CCOC2)cc1Cl ZINC000330831530 527287047 /nfs/dbraw/zinc/28/70/47/527287047.db2.gz UPQYNLXWBYCPSL-HNNXBMFYSA-N 0 0 310.781 3.295 10 30 DGEERN CC(=O)c1ccc(NC(=O)NC[C@@H]2CCCCO2)cc1Cl ZINC000330794758 527287713 /nfs/dbraw/zinc/28/77/13/527287713.db2.gz FWNOFSOTHYDTFH-LBPRGKRZSA-N 0 0 310.781 3.438 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000181398251 527287921 /nfs/dbraw/zinc/28/79/21/527287921.db2.gz OQRTXPIZTYXNLG-BBRMVZONSA-N 0 0 306.406 3.416 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000337805160 527292135 /nfs/dbraw/zinc/29/21/35/527292135.db2.gz HFNVZSUEGHMGPA-LLVKDONJSA-N 0 0 302.344 3.366 10 30 DGEERN C=CCCC[C@H](C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000338577265 527297954 /nfs/dbraw/zinc/29/79/54/527297954.db2.gz NOYWMPBWDKJUKM-AWEZNQCLSA-N 0 0 321.442 3.332 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000350731038 527316084 /nfs/dbraw/zinc/31/60/84/527316084.db2.gz XXPHHEFBFYHMQG-CVEARBPZSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCCC2(CC2)C1 ZINC000337846544 527319801 /nfs/dbraw/zinc/31/98/01/527319801.db2.gz HOQMRTAOMNRLBN-UHFFFAOYSA-N 0 0 312.417 3.223 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)C[C@@H](C)CC ZINC000337805122 527320041 /nfs/dbraw/zinc/32/00/41/527320041.db2.gz HFFYRCCHUSXKFL-AWEZNQCLSA-N 0 0 302.422 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C2CC2)C1 ZINC000337897909 527320174 /nfs/dbraw/zinc/32/01/74/527320174.db2.gz FYVXJEMTWGTTGY-OAHLLOKOSA-N 0 0 312.417 3.079 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H](C)C1CC1 ZINC000350742490 527320338 /nfs/dbraw/zinc/32/03/38/527320338.db2.gz WZFFVARLVQUFNK-ZDUSSCGKSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C2CC2)C1 ZINC000337897908 527321208 /nfs/dbraw/zinc/32/12/08/527321208.db2.gz FYVXJEMTWGTTGY-HNNXBMFYSA-N 0 0 312.417 3.079 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1CCS[C@H](C)C1 ZINC000337876508 527328327 /nfs/dbraw/zinc/32/83/27/527328327.db2.gz ZFVNAMSSXSTQHU-GFCCVEGCSA-N 0 0 320.487 3.058 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000342947920 527329805 /nfs/dbraw/zinc/32/98/05/527329805.db2.gz UDWMTONVODPKPS-SJORKVTESA-N 0 0 309.450 3.025 10 30 DGEERN C=CCCOCCCCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000342583735 527335462 /nfs/dbraw/zinc/33/54/62/527335462.db2.gz IYSJLXGJRIOKSS-AWEZNQCLSA-N 0 0 319.401 3.356 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1ccc(F)cc1 ZINC000442916940 527339201 /nfs/dbraw/zinc/33/92/01/527339201.db2.gz FHJZBSPEXJMPEB-UHFFFAOYSA-N 0 0 319.405 3.277 10 30 DGEERN C=CCn1c(SCCc2ccccn2)nnc1-c1ccco1 ZINC000073137054 527340089 /nfs/dbraw/zinc/34/00/89/527340089.db2.gz JBAKTQVWEMNDQQ-UHFFFAOYSA-N 0 0 312.398 3.454 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCS[C@H](C)[C@H]1C ZINC000424122413 527351821 /nfs/dbraw/zinc/35/18/21/527351821.db2.gz IVSMPSDCOYZBIK-UPJWGTAASA-N 0 0 324.519 3.362 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCCC1 ZINC000337709289 527352441 /nfs/dbraw/zinc/35/24/41/527352441.db2.gz BPXIYFNUOJDCDE-INIZCTEOSA-N 0 0 310.401 3.131 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1C ZINC000350728451 527352636 /nfs/dbraw/zinc/35/26/36/527352636.db2.gz BXQXVPKHLBPKOM-CJNGLKHVSA-N 0 0 310.401 3.129 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccoc1 ZINC000424121063 527360057 /nfs/dbraw/zinc/36/00/57/527360057.db2.gz HGROHSBYDJMPBO-CYBMUJFWSA-N 0 0 304.419 3.262 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CC(C)C ZINC000337833949 527360865 /nfs/dbraw/zinc/36/08/65/527360865.db2.gz BDBVGLMXYHOUIC-MRXNPFEDSA-N 0 0 312.417 3.233 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000412791899 527389022 /nfs/dbraw/zinc/38/90/22/527389022.db2.gz HOVHKZPOUPZCLT-MRXNPFEDSA-N 0 0 301.430 3.404 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000415999577 527404232 /nfs/dbraw/zinc/40/42/32/527404232.db2.gz HBHJQOZPEURRIB-SNVBAGLBSA-N 0 0 311.765 3.046 10 30 DGEERN C=CCCS(=O)(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000120168108 527407060 /nfs/dbraw/zinc/40/70/60/527407060.db2.gz HHHKRMAVGLEKTI-QGZVFWFLSA-N 0 0 305.443 3.434 10 30 DGEERN C=C[C@@H](CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000181377686 527420055 /nfs/dbraw/zinc/42/00/55/527420055.db2.gz BENAFAAXSWZHQB-HOCLYGCPSA-N 0 0 310.401 3.218 10 30 DGEERN C=CCC[C@@H](C)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000290229552 527425793 /nfs/dbraw/zinc/42/57/93/527425793.db2.gz SQZSAYQNKHCUBE-YPMHNXCESA-N 0 0 301.390 3.206 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153247519 527455847 /nfs/dbraw/zinc/45/58/47/527455847.db2.gz MZPRKHGGGAOBDS-KRWDZBQOSA-N 0 0 310.353 3.175 10 30 DGEERN CC(C)(C#N)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000359635178 527484858 /nfs/dbraw/zinc/48/48/58/527484858.db2.gz MHCNSKRGLHNQIH-UHFFFAOYSA-N 0 0 321.352 3.368 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)SCc1ccccc1 ZINC000424934234 527496588 /nfs/dbraw/zinc/49/65/88/527496588.db2.gz UFPSPWCLOGGNOG-BPUTZDHNSA-N 0 0 305.443 3.016 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)SCc1ccccc1 ZINC000424934236 527497167 /nfs/dbraw/zinc/49/71/67/527497167.db2.gz UFPSPWCLOGGNOG-KBMXLJTQSA-N 0 0 305.443 3.016 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000424933606 527497504 /nfs/dbraw/zinc/49/75/04/527497504.db2.gz RCVNJBIKVRBNCY-AAEUAGOBSA-N 0 0 318.398 3.032 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC12CCCC2 ZINC000337540282 527504112 /nfs/dbraw/zinc/50/41/12/527504112.db2.gz JATLNYOARMKNTA-INIZCTEOSA-N 0 0 312.413 3.193 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000357604938 527524623 /nfs/dbraw/zinc/52/46/23/527524623.db2.gz HGGJIMCKZJOVQE-KRWDZBQOSA-N 0 0 303.406 3.393 10 30 DGEERN C=CCN(C(=O)c1ccc(Cn2nc(C)cc2C)cc1)C1CC1 ZINC000357496630 527549368 /nfs/dbraw/zinc/54/93/68/527549368.db2.gz VMZLAAKYDHBFIL-UHFFFAOYSA-N 0 0 309.413 3.339 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000355586929 527550659 /nfs/dbraw/zinc/55/06/59/527550659.db2.gz PLYZBWLHVLNWOK-CHWSQXEVSA-N 0 0 323.261 3.012 10 30 DGEERN C=C[C@H](CC(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000135362887 527572210 /nfs/dbraw/zinc/57/22/10/527572210.db2.gz OHAJPYAVCSFJSL-GOSISDBHSA-N 0 0 323.440 3.482 10 30 DGEERN C=C[C@H](CC(=O)NCc1nnc(C2CCC2)n1C)c1ccccc1 ZINC000129519655 527576352 /nfs/dbraw/zinc/57/63/52/527576352.db2.gz JGXJJVACVZHEPP-CQSZACIVSA-N 0 0 324.428 3.059 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000133222889 527577718 /nfs/dbraw/zinc/57/77/18/527577718.db2.gz SMVDGWBQPWBPNK-LSDHHAIUSA-N 0 0 324.428 3.152 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000078547358 527587776 /nfs/dbraw/zinc/58/77/76/527587776.db2.gz VWMRUEPYAXESAI-KBPBESRZSA-N 0 0 313.319 3.376 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313087 527612973 /nfs/dbraw/zinc/61/29/73/527612973.db2.gz OTRFRVUZZCQKQP-MRXNPFEDSA-N 0 0 318.848 3.330 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(COc2ccc(OC)cc2)no1 ZINC000290071785 527622975 /nfs/dbraw/zinc/62/29/75/527622975.db2.gz KDXKTZGBPZJYCA-QGZVFWFLSA-N 0 0 318.373 3.137 10 30 DGEERN C=C[C@](C)(O)CC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000356046954 527633531 /nfs/dbraw/zinc/63/35/31/527633531.db2.gz XODQZOQXMICKAA-FNHZYXHNSA-N 0 0 301.430 3.357 10 30 DGEERN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC000302421740 527895005 /nfs/dbraw/zinc/89/50/05/527895005.db2.gz OEWOADOVMFPWEM-JKSUJKDBSA-N 0 0 308.385 3.144 10 30 DGEERN CC(C)O[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)C1(C)C ZINC000440992533 528088941 /nfs/dbraw/zinc/08/89/41/528088941.db2.gz SWJVSXFATJGVHZ-CKUJCDMFSA-N 0 0 321.465 3.208 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134334767 528116654 /nfs/dbraw/zinc/11/66/54/528116654.db2.gz LNZBELBLKBFSJY-NVXWUHKLSA-N 0 0 321.465 3.053 10 30 DGEERN CCCCCCCCCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177365096 528127810 /nfs/dbraw/zinc/12/78/10/528127810.db2.gz SPZKXAMGXRIPRG-AWEZNQCLSA-N 0 0 307.442 3.163 10 30 DGEERN CC(C)[C@@H](Nc1ncccc1C#N)c1nc(-c2cccnc2)no1 ZINC000301730137 528600401 /nfs/dbraw/zinc/60/04/01/528600401.db2.gz XAYPYNKPAANBBJ-CQSZACIVSA-N 0 0 320.356 3.207 10 30 DGEERN CCC(C)(C)c1ccc(CNS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000166126678 528605204 /nfs/dbraw/zinc/60/52/04/528605204.db2.gz RBZDZJOMQKKDPN-UHFFFAOYSA-N 0 0 320.458 3.097 10 30 DGEERN CCS[C@@H](C)c1noc(CN(C)CC#Cc2ccccc2)n1 ZINC000192077068 529204095 /nfs/dbraw/zinc/20/40/95/529204095.db2.gz ASVJPVYMNFTZRC-AWEZNQCLSA-N 0 0 315.442 3.367 10 30 DGEERN CC[C@@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CCCC1 ZINC000178124093 529248905 /nfs/dbraw/zinc/24/89/05/529248905.db2.gz HCFACFMAASCQAU-CYBMUJFWSA-N 0 0 306.793 3.450 10 30 DGEERN CC[C@H](CC#N)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000183826101 529296671 /nfs/dbraw/zinc/29/66/71/529296671.db2.gz QCMNQOIELHVPLS-QGZVFWFLSA-N 0 0 312.413 3.337 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC000489713652 535294439 /nfs/dbraw/zinc/29/44/39/535294439.db2.gz ATSCPDFVMOEJTI-CJNGLKHVSA-N 0 0 306.793 3.261 10 30 DGEERN COC(=O)[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C1CC1 ZINC000488814727 536455831 /nfs/dbraw/zinc/45/58/31/536455831.db2.gz KDJLJPPUPWMNGS-JTQLQIEISA-N 0 0 316.304 3.016 10 30 DGEERN COc1ccc(OC)c([C@@H](C)NC(=O)c2sccc2C#N)c1 ZINC000052029121 545690829 /nfs/dbraw/zinc/69/08/29/545690829.db2.gz DULOCKMWAFMRMP-SNVBAGLBSA-N 0 0 316.382 3.128 10 30 DGEERN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000151096078 545990647 /nfs/dbraw/zinc/99/06/47/545990647.db2.gz FKLKMBFTXWICMA-STQMWFEESA-N 0 0 313.319 3.046 10 30 DGEERN Clc1cccc(C#CCN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000157275294 546039337 /nfs/dbraw/zinc/03/93/37/546039337.db2.gz ACHLYVNNLUMAGQ-SFHVURJKSA-N 0 0 312.800 3.240 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000182637756 546167498 /nfs/dbraw/zinc/16/74/98/546167498.db2.gz HXAUSLCBKTVHDL-UONOGXRCSA-N 0 0 303.406 3.058 10 30 DGEERN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000183574713 546176463 /nfs/dbraw/zinc/17/64/63/546176463.db2.gz QXPWJIZRBPNRCS-INIZCTEOSA-N 0 0 312.413 3.403 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ncc(C(F)(F)F)s1)OCC ZINC000277070146 546368097 /nfs/dbraw/zinc/36/80/97/546368097.db2.gz DXGWDHYOFBRPNB-MRVPVSSYSA-N 0 0 308.325 3.472 10 30 DGEERN CCc1nc(C#N)cc(NCCCCOCc2ccccc2)n1 ZINC000308173180 546448893 /nfs/dbraw/zinc/44/88/93/546448893.db2.gz XHPGJYUVDDHKKK-UHFFFAOYSA-N 0 0 310.401 3.320 10 30 DGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000328744381 546481571 /nfs/dbraw/zinc/48/15/71/546481571.db2.gz KMRAXAXIJNIKQR-KBMXLJTQSA-N 0 0 303.406 3.090 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)CCC2 ZINC000329388860 546485543 /nfs/dbraw/zinc/48/55/43/546485543.db2.gz RNWZJCGARPOMEL-RCCFBDPRSA-N 0 0 314.429 3.444 10 30 DGEERN C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@@H]1CCCCO1 ZINC000329671599 546489080 /nfs/dbraw/zinc/48/90/80/546489080.db2.gz NGQFEYQGGFNKEZ-XIRDDKMYSA-N 0 0 324.465 3.139 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)NCc2scnc2C)cs1 ZINC000330183184 546495989 /nfs/dbraw/zinc/49/59/89/546495989.db2.gz HTKFDVJLSBBXDM-LBPRGKRZSA-N 0 0 322.459 3.468 10 30 DGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000330240917 546496234 /nfs/dbraw/zinc/49/62/34/546496234.db2.gz BQCCXYHXHBWYNM-RDBSUJKOSA-N 0 0 312.479 3.123 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)NC2CC(F)(F)C2)no1 ZINC000330244465 546496450 /nfs/dbraw/zinc/49/64/50/546496450.db2.gz KFUNJVZHCVURQP-JTQLQIEISA-N 0 0 314.336 3.042 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1csc(-c2ccccn2)n1 ZINC000332912566 546500925 /nfs/dbraw/zinc/50/09/25/546500925.db2.gz ZNJATBMIKUDREG-MNOVXSKESA-N 0 0 313.386 3.019 10 30 DGEERN C=CCn1c(S[C@@H](C)[C@@H](C)O)nnc1-c1cccc(OC)c1 ZINC000359772155 546711849 /nfs/dbraw/zinc/71/18/49/546711849.db2.gz ZDBQOJBRJKTJNN-NEPJUHHUSA-N 0 0 319.430 3.001 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1nc(C#N)cs1 ZINC000419658598 546803999 /nfs/dbraw/zinc/80/39/99/546803999.db2.gz ZZZUUQUGHCWWAX-LLVKDONJSA-N 0 0 309.460 3.061 10 30 DGEERN C#CCOc1cccc(COC(=O)CCc2ccccc2OC)c1 ZINC000730405102 574528875 /nfs/dbraw/zinc/52/88/75/574528875.db2.gz QJKVOWHTDMUAOU-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1nccs1 ZINC000730425379 574529390 /nfs/dbraw/zinc/52/93/90/574529390.db2.gz OFPUXHHQITULJY-ZDUSSCGKSA-N 0 0 315.394 3.392 10 30 DGEERN C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000730455747 574529828 /nfs/dbraw/zinc/52/98/28/574529828.db2.gz NBFABCKIRMYCKZ-RBUKOAKNSA-N 0 0 304.393 3.476 10 30 DGEERN C#CCOc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000730500513 574530563 /nfs/dbraw/zinc/53/05/63/574530563.db2.gz NQWNMIQIJFMXKI-UHFFFAOYSA-N 0 0 311.293 3.134 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1ccc(OCC=C)cc1 ZINC000730510101 574530690 /nfs/dbraw/zinc/53/06/90/574530690.db2.gz ZKIRWZZHWHHQSB-UHFFFAOYSA-N 0 0 308.333 3.483 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000730705461 574534300 /nfs/dbraw/zinc/53/43/00/574534300.db2.gz ZAGNZNAOCCPTOR-GXFFZTMASA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1cccc(NC(=S)Nc2ccccc2C#N)c1 ZINC000730951619 574539329 /nfs/dbraw/zinc/53/93/29/574539329.db2.gz LJQMKIGDPVGHBB-UHFFFAOYSA-N 0 0 307.378 3.379 10 30 DGEERN CCOc1ccc(/C=N\[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000731562857 574551782 /nfs/dbraw/zinc/55/17/82/574551782.db2.gz IMIDKUCLMRPYFP-VJOZSWGJSA-N 0 0 324.380 3.015 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000732580611 574576229 /nfs/dbraw/zinc/57/62/29/574576229.db2.gz DNEIFUFTIQMRAQ-JKSUJKDBSA-N 0 0 317.429 3.222 10 30 DGEERN CCCCCC[C@@H](C)CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732649307 574577855 /nfs/dbraw/zinc/57/78/55/574577855.db2.gz FEHQQYRSSJLGGX-NVXWUHKLSA-N 0 0 305.466 3.182 10 30 DGEERN N#C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCN1C1CC1 ZINC000732668898 574578582 /nfs/dbraw/zinc/57/85/82/574578582.db2.gz RQWVNAWWMQJXLW-CYBMUJFWSA-N 0 0 310.228 3.166 10 30 DGEERN CCCCCCCCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732701472 574579076 /nfs/dbraw/zinc/57/90/76/574579076.db2.gz RFQCQFSJUWPXLC-QGZVFWFLSA-N 0 0 320.481 3.119 10 30 DGEERN C#CCCNC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000733340937 574617394 /nfs/dbraw/zinc/61/73/94/574617394.db2.gz SQQWFNOSIRNBEV-OAHLLOKOSA-N 0 0 302.418 3.117 10 30 DGEERN C#CCCNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000733338845 574617401 /nfs/dbraw/zinc/61/74/01/574617401.db2.gz DIIIGOLFSZFALE-UHFFFAOYSA-N 0 0 323.234 3.049 10 30 DGEERN C#CCCNC(=O)NCc1ccc(OCc2cccc(C)c2)cc1 ZINC000733643250 574633053 /nfs/dbraw/zinc/63/30/53/574633053.db2.gz IZKNFYJSLMKMAR-UHFFFAOYSA-N 0 0 322.408 3.397 10 30 DGEERN C#CC[C@@H](OC(=O)COc1cc(C)cc(C)c1)c1ccccn1 ZINC000733692916 574634042 /nfs/dbraw/zinc/63/40/42/574634042.db2.gz RGICCHKCCNOTNW-GOSISDBHSA-N 0 0 309.365 3.385 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)CCc2cscn2)c1 ZINC000733698014 574634737 /nfs/dbraw/zinc/63/47/37/574634737.db2.gz PWQOAGRAYARTGV-CYBMUJFWSA-N 0 0 315.394 3.392 10 30 DGEERN C=C(CSc1nnc2sc3ccccc3n12)C(=O)OCC ZINC000733870773 574641175 /nfs/dbraw/zinc/64/11/75/574641175.db2.gz LXZAQCYPIZPZGL-UHFFFAOYSA-N 0 0 319.411 3.155 10 30 DGEERN CC[C@@H](CC1CCCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000733934878 574643829 /nfs/dbraw/zinc/64/38/29/574643829.db2.gz LNYHCOOIYOCJNG-FUHWJXTLSA-N 0 0 317.477 3.182 10 30 DGEERN C=C(COC(=O)C1(c2ccccc2)CCCC1)C(=O)OCC ZINC000734025992 574647472 /nfs/dbraw/zinc/64/74/72/574647472.db2.gz BUIMYPNWBHXPFE-UHFFFAOYSA-N 0 0 302.370 3.161 10 30 DGEERN C=C(COC(=O)[C@H](C)CSc1ccccc1)C(=O)OCC ZINC000734032455 574647906 /nfs/dbraw/zinc/64/79/06/574647906.db2.gz ISAFVRWSKLEDRO-CYBMUJFWSA-N 0 0 308.399 3.077 10 30 DGEERN C=C(COC(=O)c1ccc(OC)c2ccccc12)C(=O)OCC ZINC000734025351 574648284 /nfs/dbraw/zinc/64/82/84/574648284.db2.gz MHBLBNKMVOVEHA-UHFFFAOYSA-N 0 0 314.337 3.125 10 30 DGEERN C=C(COC(=O)COc1cc(C)ccc1C(C)C)C(=O)OCC ZINC000734023862 574648334 /nfs/dbraw/zinc/64/83/34/574648334.db2.gz FIPLMYAIQKRKMU-UHFFFAOYSA-N 0 0 320.385 3.160 10 30 DGEERN C=C(COC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)OCC ZINC000734024274 574648489 /nfs/dbraw/zinc/64/84/89/574648489.db2.gz JHGCFMBKKBOHMB-UHFFFAOYSA-N 0 0 320.385 3.160 10 30 DGEERN C#CCOc1ccccc1CNC(=O)NCCC1CCCC1 ZINC000734164390 574653657 /nfs/dbraw/zinc/65/36/57/574653657.db2.gz LBBVXMGEIPUEHP-UHFFFAOYSA-N 0 0 300.402 3.078 10 30 DGEERN C=CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccncc1 ZINC000734237312 574654859 /nfs/dbraw/zinc/65/48/59/574654859.db2.gz NMCAYVCBXPVSME-YOEHRIQHSA-N 0 0 321.380 3.154 10 30 DGEERN C=CCN(CC=C)C(=O)CSC[C@@H]1OCCc2ccccc21 ZINC000734510221 574665485 /nfs/dbraw/zinc/66/54/85/574665485.db2.gz QVFCHSAFDSUHDE-KRWDZBQOSA-N 0 0 317.454 3.234 10 30 DGEERN CC[C@@H](C#N)Oc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000735487727 574703700 /nfs/dbraw/zinc/70/37/00/574703700.db2.gz XGDZFGPPDVFXTL-AWEZNQCLSA-N 0 0 312.329 3.283 10 30 DGEERN C=CCN(C(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(C)C ZINC000735654314 574711401 /nfs/dbraw/zinc/71/14/01/574711401.db2.gz ASZFHCGSFVHELP-UHFFFAOYSA-N 0 0 302.374 3.222 10 30 DGEERN C=C(Cl)CNC(=O)/C=C\c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000736241868 574736788 /nfs/dbraw/zinc/73/67/88/574736788.db2.gz FIJMQZOAXNCBHF-FJOGCWAESA-N 0 0 321.804 3.291 10 30 DGEERN C=C(Cl)CNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000736239050 574737407 /nfs/dbraw/zinc/73/74/07/574737407.db2.gz PVQGHQFBJSJTJM-UHFFFAOYSA-N 0 0 314.772 3.421 10 30 DGEERN C=CCCCN(C)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000736577463 574759416 /nfs/dbraw/zinc/75/94/16/574759416.db2.gz GICWQJNDYXNFJU-UHFFFAOYSA-N 0 0 319.405 3.338 10 30 DGEERN C=C(C)COC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000738658477 574876738 /nfs/dbraw/zinc/87/67/38/574876738.db2.gz ROJGEPAVMPVCSR-UHFFFAOYSA-N 0 0 322.158 3.436 10 30 DGEERN C#CCSCCNC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000739821019 574912624 /nfs/dbraw/zinc/91/26/24/574912624.db2.gz BVVDEUYBQJYAOI-OAHLLOKOSA-N 0 0 307.484 3.286 10 30 DGEERN C=CCCCCCN(C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739930618 574916217 /nfs/dbraw/zinc/91/62/17/574916217.db2.gz NMALYUTXNWGFAW-KRWDZBQOSA-N 0 0 300.402 3.451 10 30 DGEERN C=CCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1C#N ZINC000741155969 574952079 /nfs/dbraw/zinc/95/20/79/574952079.db2.gz RXCITADXQJDQHE-UHFFFAOYSA-N 0 0 321.409 3.240 10 30 DGEERN C=C(C)CNC(=S)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000741506538 574960400 /nfs/dbraw/zinc/96/04/00/574960400.db2.gz HRBJOOOZRMHAIW-DOMZBBRYSA-N 0 0 308.422 3.038 10 30 DGEERN CC(N=Nc1nc(C(F)(F)F)nc2ccccc21)[C@H]1CCOC1 ZINC000741760543 574969065 /nfs/dbraw/zinc/96/90/65/574969065.db2.gz ZIEMABLXWYZFII-JTQLQIEISA-N 0 0 324.306 3.473 10 30 DGEERN C=CCNC(=S)N1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000741875860 574974633 /nfs/dbraw/zinc/97/46/33/574974633.db2.gz WOYXLWFEBVOEPU-HOCLYGCPSA-N 0 0 304.459 3.126 10 30 DGEERN C=CCCCN(C)C(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000742692892 575013196 /nfs/dbraw/zinc/01/31/96/575013196.db2.gz KUYWJICSDMWHHZ-UHFFFAOYSA-N 0 0 310.438 3.058 10 30 DGEERN C#CCCCNC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000742786267 575019428 /nfs/dbraw/zinc/01/94/28/575019428.db2.gz XZDISLSMBWDKTC-UHFFFAOYSA-N 0 0 319.364 3.341 10 30 DGEERN C=C(C)CNC(=S)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000743008213 575029152 /nfs/dbraw/zinc/02/91/52/575029152.db2.gz GBBYHGDXLOZQAR-LLVKDONJSA-N 0 0 313.492 3.123 10 30 DGEERN N#Cc1ccsc1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000729001245 575206621 /nfs/dbraw/zinc/20/66/21/575206621.db2.gz UMTIDIOZINAPNL-UHFFFAOYSA-N 0 0 306.274 3.024 10 30 DGEERN C#Cc1cccc(NC(=S)N2CCc3cc(OC)ccc32)c1 ZINC000726486238 576026797 /nfs/dbraw/zinc/02/67/97/576026797.db2.gz JQBADWYBLGPOGR-UHFFFAOYSA-N 0 0 308.406 3.436 10 30 DGEERN C=CCCC(=O)O[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000726652402 576034925 /nfs/dbraw/zinc/03/49/25/576034925.db2.gz OVZYUMUMGIPPBL-LBPRGKRZSA-N 0 0 305.399 3.023 10 30 DGEERN C#CCOC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000727039860 576097173 /nfs/dbraw/zinc/09/71/73/576097173.db2.gz POEQJMDTOXQFBH-UHFFFAOYSA-N 0 0 316.788 3.170 10 30 DGEERN C=CCNC(=O)[C@@H](C)OC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000727213801 576112620 /nfs/dbraw/zinc/11/26/20/576112620.db2.gz OVXDNLRJNDLUDX-UKRRQHHQSA-N 0 0 321.442 3.037 10 30 DGEERN Cc1ccc(NN=C2c3cc(Cl)cc(Cl)c3NC2=O)nc1 ZINC000727259898 576116161 /nfs/dbraw/zinc/11/61/61/576116161.db2.gz MTLRKVHFVYTECX-UHFFFAOYSA-N 0 0 321.167 3.465 10 30 DGEERN C(=NNc1cccc2cnccc21)c1ccc(-n2cncn2)cc1 ZINC000728432507 576182042 /nfs/dbraw/zinc/18/20/42/576182042.db2.gz VEBDRKQKUGSHRN-UHFFFAOYSA-N 0 0 314.352 3.262 10 30 DGEERN N#Cc1ccc(-c2ccn(Cc3ccc4c(c3)OCCO4)n2)cc1 ZINC000728710780 576197314 /nfs/dbraw/zinc/19/73/14/576197314.db2.gz HCXGLBIZTZQFLD-UHFFFAOYSA-N 0 0 317.348 3.241 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000728825026 576210613 /nfs/dbraw/zinc/21/06/13/576210613.db2.gz ZYRRJZKJQKBMSE-OAHLLOKOSA-N 0 0 318.298 3.439 10 30 DGEERN C#Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)nc1 ZINC000728859974 576221040 /nfs/dbraw/zinc/22/10/40/576221040.db2.gz JNXKOTUPRINIPL-KRWDZBQOSA-N 0 0 308.356 3.049 10 30 DGEERN CCCCCCCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110904888 620652285 /nfs/dbraw/zinc/65/22/85/620652285.db2.gz XWKKBOPCLNWRJP-QGZVFWFLSA-N 0 0 321.465 3.088 10 30 DGEERN CCCCCCCC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000110944137 620655225 /nfs/dbraw/zinc/65/52/25/620655225.db2.gz BHISGXDTVKKQOU-UHFFFAOYSA-N 0 0 323.506 3.456 10 30 DGEERN CC(C)(C)c1noc(CCCC(=O)O[C@@H](C#N)C(C)(C)C)n1 ZINC000154392718 620667737 /nfs/dbraw/zinc/66/77/37/620667737.db2.gz MPLSXNUIEIRANV-NSHDSACASA-N 0 0 307.394 3.171 10 30 DGEERN Cc1cc([C@H]2CN(C(=O)C#Cc3ccccc3)CCO2)ccc1F ZINC000134821631 617642643 /nfs/dbraw/zinc/64/26/43/617642643.db2.gz AIJIHUXLQHQYOC-LJQANCHMSA-N 0 0 323.367 3.086 10 30 DGEERN N#C[C@@H](COC(=O)CC[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000111948766 620771837 /nfs/dbraw/zinc/77/18/37/620771837.db2.gz VSWMFLZUPGAFMK-RDJZCZTQSA-N 0 0 319.376 3.400 10 30 DGEERN C=CCc1ccccc1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000111943984 620771866 /nfs/dbraw/zinc/77/18/66/620771866.db2.gz ZOECEBPCVUAVNI-UHFFFAOYSA-N 0 0 307.349 3.466 10 30 DGEERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cccc(F)c2C#N)C1 ZINC000888102891 618626303 /nfs/dbraw/zinc/62/63/03/618626303.db2.gz SUHHKLFEQJNVHL-WBMJQRKESA-N 0 0 314.364 3.004 10 30 DGEERN O=C(c1ccccc1)N1CCC(C/N=C/c2ccccc2O)CC1 ZINC000150942528 620409799 /nfs/dbraw/zinc/40/97/99/620409799.db2.gz ZIVIMJDMPABFNC-RCCKNPSSSA-N 0 0 322.408 3.364 10 30 DGEERN CC(C)(C)Oc1cccc(CCC(=O)O[C@@H](C#N)C2CC2)n1 ZINC000151645961 620468091 /nfs/dbraw/zinc/46/80/91/620468091.db2.gz QEYDGSCLGKAECJ-AWEZNQCLSA-N 0 0 302.374 3.037 10 30 DGEERN C#C[C@H](OC(=O)c1cc(OC)ccc1Br)C1CC1 ZINC000152347900 620502132 /nfs/dbraw/zinc/50/21/32/620502132.db2.gz DLWRDBBUOJYRKJ-ZDUSSCGKSA-N 0 0 309.159 3.026 10 30 DGEERN C#CCCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000152521273 620511671 /nfs/dbraw/zinc/51/16/71/620511671.db2.gz ZXDSGOWOMHZXBO-CQSZACIVSA-N 0 0 312.335 3.263 10 30 DGEERN CO[C@H](C(=O)OC[C@H](C#N)Cc1cccs1)c1ccccc1 ZINC000153319932 620550206 /nfs/dbraw/zinc/55/02/06/620550206.db2.gz RTNYCHSANCCZKP-BBRMVZONSA-N 0 0 315.394 3.361 10 30 DGEERN CC(=O)CCc1ccc(OCC(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000153363757 620555056 /nfs/dbraw/zinc/55/50/56/620555056.db2.gz HDKRTHSCFMXPCD-MRXNPFEDSA-N 0 0 317.385 3.068 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000153884443 620620798 /nfs/dbraw/zinc/62/07/98/620620798.db2.gz LICPFKFDPVKUJC-KSSFIOAISA-N 0 0 309.365 3.362 10 30 DGEERN C#CCSCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000153919971 620622906 /nfs/dbraw/zinc/62/29/06/620622906.db2.gz DOUIBBKIXBRSEK-SNVBAGLBSA-N 0 0 314.813 3.206 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000112582134 620833945 /nfs/dbraw/zinc/83/39/45/620833945.db2.gz QYWKVVZLONGJMH-GJZGRUSLSA-N 0 0 302.370 3.199 10 30 DGEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@]2(CC=CCC2)C1 ZINC000119027900 621608468 /nfs/dbraw/zinc/60/84/68/621608468.db2.gz KVSYPWGKNDWLFD-HXUWFJFHSA-N 0 0 323.392 3.116 10 30 DGEERN C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)C1CCCC1 ZINC000119100389 621619530 /nfs/dbraw/zinc/61/95/30/621619530.db2.gz CKVOXYOGXNYHGH-IAGOWNOFSA-N 0 0 300.377 3.269 10 30 DGEERN C#CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)C1CCCC1 ZINC000119100646 621619654 /nfs/dbraw/zinc/61/96/54/621619654.db2.gz CKVOXYOGXNYHGH-DLBZAZTESA-N 0 0 300.377 3.269 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cnc3ccccn13)C2=O ZINC000119132387 621624139 /nfs/dbraw/zinc/62/41/39/621624139.db2.gz LZYLYGXJOFWKRK-FMIVXFBMSA-N 0 0 306.321 3.002 10 30 DGEERN C#C[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000120557455 621916585 /nfs/dbraw/zinc/91/65/85/621916585.db2.gz HINQHDUUCPYVNB-MAUKXSAKSA-N 0 0 319.360 3.113 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000120714502 621982769 /nfs/dbraw/zinc/98/27/69/621982769.db2.gz UMMSICBTDISFAK-OLZOCXBDSA-N 0 0 304.365 3.490 10 30 DGEERN CCN(C[C@@H](C)C#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120907562 622046779 /nfs/dbraw/zinc/04/67/79/622046779.db2.gz LOCCRKIQJJIGQK-SWLSCSKDSA-N 0 0 305.809 3.315 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000121615627 622166528 /nfs/dbraw/zinc/16/65/28/622166528.db2.gz JMQVYMAUKPEEQA-AWEZNQCLSA-N 0 0 303.749 3.231 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC000121747461 622176699 /nfs/dbraw/zinc/17/66/99/622176699.db2.gz SDBOWJAECUUFQH-UHFFFAOYSA-N 0 0 308.366 3.284 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)C1CC1 ZINC000122170526 622248447 /nfs/dbraw/zinc/24/84/47/622248447.db2.gz DKIZMZMYOJBKSI-CQSZACIVSA-N 0 0 302.374 3.005 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000122365678 622307573 /nfs/dbraw/zinc/30/75/73/622307573.db2.gz MNRSUDPXIUTVPC-YPMHNXCESA-N 0 0 324.174 3.016 10 30 DGEERN C=C(Br)CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129332571 625592673 /nfs/dbraw/zinc/59/26/73/625592673.db2.gz RTFNSCOKHAZUJM-CQSZACIVSA-N 0 0 314.198 3.416 10 30 DGEERN COc1cc(C(C)=O)ccc1OC(=O)c1ccc(C#N)cc1C ZINC000129363172 625602817 /nfs/dbraw/zinc/60/28/17/625602817.db2.gz UJRAEUIPKUUSDN-UHFFFAOYSA-N 0 0 309.321 3.297 10 30 DGEERN C#CCOc1cccc(COC(=O)CC2CCC(OC)CC2)c1 ZINC000124471871 623103001 /nfs/dbraw/zinc/10/30/01/623103001.db2.gz XXVUCVIAGZCDEF-UHFFFAOYSA-N 0 0 316.397 3.337 10 30 DGEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C#N)cc2C)c1 ZINC000129416254 625623088 /nfs/dbraw/zinc/62/30/88/625623088.db2.gz FSFFSSKZVYTUSU-QGZVFWFLSA-N 0 0 317.348 3.136 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1ccncc1 ZINC000124630574 623207314 /nfs/dbraw/zinc/20/73/14/623207314.db2.gz ZAJLJGATVJNJIH-OAHLLOKOSA-N 0 0 309.365 3.331 10 30 DGEERN C=CCN(CC(=O)OCC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000126118903 623684513 /nfs/dbraw/zinc/68/45/13/623684513.db2.gz DVTLOOASXNQXFF-UHFFFAOYSA-N 0 0 318.348 3.032 10 30 DGEERN C=C[C@H](CC(=O)OCCN(C)CC(F)(F)F)c1ccccc1 ZINC000127761756 624556879 /nfs/dbraw/zinc/55/68/79/624556879.db2.gz BEYRTFIGNWLGKA-CYBMUJFWSA-N 0 0 315.335 3.384 10 30 DGEERN C=C[C@@H](CC(=O)OCCN(C)CC(F)(F)F)c1ccccc1 ZINC000127761963 624557174 /nfs/dbraw/zinc/55/71/74/624557174.db2.gz BEYRTFIGNWLGKA-ZDUSSCGKSA-N 0 0 315.335 3.384 10 30 DGEERN C=CCOc1ccc(C(=O)OC2CCC(OC)CC2)cc1OC ZINC000128453356 624965800 /nfs/dbraw/zinc/96/58/00/624965800.db2.gz WMQVEYMSDXHCKS-UHFFFAOYSA-N 0 0 320.385 3.374 10 30 DGEERN N#Cc1ccc(OC(=O)c2cccc(OCC(F)(F)F)n2)cc1 ZINC000129787290 625773710 /nfs/dbraw/zinc/77/37/10/625773710.db2.gz KNSBNVCPBFQYSC-UHFFFAOYSA-N 0 0 322.242 3.114 10 30 DGEERN CC(C)CCn1ccc(NCc2cnc3ccc(C#N)cn23)n1 ZINC000130188366 625823340 /nfs/dbraw/zinc/82/33/40/625823340.db2.gz BXUXWFQZGOXYEI-UHFFFAOYSA-N 0 0 308.389 3.061 10 30 DGEERN CCCCCCCOC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000130221864 625828316 /nfs/dbraw/zinc/82/83/16/625828316.db2.gz XSYCKTIHLRELIB-UHFFFAOYSA-N 0 0 304.433 3.279 10 30 DGEERN COc1cccc(CO[C@@H](C)C(=O)O[C@H](C)C(C)(C)C#N)c1 ZINC000130621493 625880409 /nfs/dbraw/zinc/88/04/09/625880409.db2.gz BSUPIUAAPWNNML-QWHCGFSZSA-N 0 0 305.374 3.082 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSc2cccs2)c1 ZINC000130686953 625891831 /nfs/dbraw/zinc/89/18/31/625891831.db2.gz UGZADUBECJOOTB-UHFFFAOYSA-N 0 0 309.437 3.186 10 30 DGEERN C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1F)C(C)(C)C#N ZINC000130799054 625904190 /nfs/dbraw/zinc/90/41/90/625904190.db2.gz UBGPKKDSQWOSDJ-SNVBAGLBSA-N 0 0 309.312 3.409 10 30 DGEERN CCO[C@@H]1C[C@@H](OC(=O)CCc2ccc(C#N)cc2)C12CCC2 ZINC000130827966 625908202 /nfs/dbraw/zinc/90/82/02/625908202.db2.gz ZWMGDOSAJUGTQK-IAGOWNOFSA-N 0 0 313.397 3.382 10 30 DGEERN C#CCOc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1 ZINC000131472566 626640873 /nfs/dbraw/zinc/64/08/73/626640873.db2.gz NMJZTXZPCPAWAZ-UHFFFAOYSA-N 0 0 316.360 3.428 10 30 DGEERN O=C1c2cc3c(cc2OC/C1=C/c1cc(F)ccc1F)OCO3 ZINC000214910473 626864391 /nfs/dbraw/zinc/86/43/91/626864391.db2.gz DSCOJASGPWMUPR-KMKOMSMNSA-N 0 0 316.259 3.352 10 30 DGEERN CC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000135189547 626915514 /nfs/dbraw/zinc/91/55/14/626915514.db2.gz KIEREQYRWDLEIS-UHFFFAOYSA-N 0 0 323.396 3.017 10 30 DGEERN C[C@H](C#N)NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000135324520 626924706 /nfs/dbraw/zinc/92/47/06/626924706.db2.gz WCTPPLLAQPBKRM-QKNMJKLUSA-N 0 0 302.683 3.314 10 30 DGEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136406859 627071620 /nfs/dbraw/zinc/07/16/20/627071620.db2.gz MEERDEUUBYMQBI-ZDUSSCGKSA-N 0 0 314.376 3.217 10 30 DGEERN Cc1c(C(=O)O[C@H](C)c2ccc(F)c(F)c2)cnn1CCC#N ZINC000889766384 627466372 /nfs/dbraw/zinc/46/63/72/627466372.db2.gz SPSOJBQSAZKOKQ-LLVKDONJSA-N 0 0 319.311 3.301 10 30 DGEERN N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000826785281 627544827 /nfs/dbraw/zinc/54/48/27/627544827.db2.gz OKPJLDVSBWUROJ-WDEREUQCSA-N 0 0 312.295 3.196 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccnc1Cl ZINC000103812132 627945840 /nfs/dbraw/zinc/94/58/40/627945840.db2.gz CORRPPOYPMMENP-LLVKDONJSA-N 0 0 316.744 3.117 10 30 DGEERN C#CC[C@H](OC(=O)COc1ccccc1CC)c1ccccn1 ZINC000105549473 630736394 /nfs/dbraw/zinc/73/63/94/630736394.db2.gz PDKIBKWFYOKVQD-SFHVURJKSA-N 0 0 309.365 3.331 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](C)OCCC=C ZINC000107059911 631517323 /nfs/dbraw/zinc/51/73/23/631517323.db2.gz MAHGUHBFNCWYFH-GJZGRUSLSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](C)OCCC=C ZINC000107059907 631517581 /nfs/dbraw/zinc/51/75/81/631517581.db2.gz MAHGUHBFNCWYFH-LSDHHAIUSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCc1cccc(OC)c1 ZINC000107416569 631621225 /nfs/dbraw/zinc/62/12/25/631621225.db2.gz YLKUYZBVHCJCGT-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN Cc1cc(C(=O)N[C@H](C#N)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000108832039 631946530 /nfs/dbraw/zinc/94/65/30/631946530.db2.gz YGEGUJXFVCGSSU-GOSISDBHSA-N 0 0 307.397 3.435 10 30 DGEERN N#C[C@H](C(=O)CCCCCc1cccs1)C(=O)N1CCCC1 ZINC000109184279 632086611 /nfs/dbraw/zinc/08/66/11/632086611.db2.gz FCFBGBQBSZPLJK-OAHLLOKOSA-N 0 0 318.442 3.182 10 30 DGEERN CCCOc1ccc(OCC(=O)OCC(C)(C)CC#N)cc1 ZINC000184823249 660188750 /nfs/dbraw/zinc/18/87/50/660188750.db2.gz SXYFHPGYRRKILJ-UHFFFAOYSA-N 0 0 305.374 3.337 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1ccc(OC)c(OC)c1 ZINC000185376380 660218849 /nfs/dbraw/zinc/21/88/49/660218849.db2.gz OKIVKQGWTBBHPM-UHFFFAOYSA-N 0 0 304.386 3.229 10 30 DGEERN CC#CCCCC(=O)Oc1ccc(C)cc1C(=O)NCC(C)C ZINC000185490292 660225222 /nfs/dbraw/zinc/22/52/22/660225222.db2.gz HHYYRHFBKUUACP-UHFFFAOYSA-N 0 0 315.413 3.480 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000180167204 659953719 /nfs/dbraw/zinc/95/37/19/659953719.db2.gz JCVDZLVOEFUERD-ZIAGYGMSSA-N 0 0 305.374 3.199 10 30 DGEERN CC#CCCCC(=O)Oc1cccc(C(=O)N(CC)CC)c1 ZINC000185893613 660252601 /nfs/dbraw/zinc/25/26/01/660252601.db2.gz GUHNYBWRICAYEB-UHFFFAOYSA-N 0 0 301.386 3.268 10 30 DGEERN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc(C#N)cc2)C1 ZINC000008183145 660388535 /nfs/dbraw/zinc/38/85/35/660388535.db2.gz AZEFBASOXVVBEP-MRXNPFEDSA-N 0 0 323.396 3.342 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OC1CCCCC1 ZINC000073719865 660534134 /nfs/dbraw/zinc/53/41/34/660534134.db2.gz WPPZPGPAMKRDPW-UHFFFAOYSA-N 0 0 303.406 3.222 10 30 DGEERN CC#CCCNC(=O)/C=C\c1ccc(C)cc1Br ZINC000700593032 660630160 /nfs/dbraw/zinc/63/01/60/660630160.db2.gz PPJYNHBFCGPVTG-HJWRWDBZSA-N 0 0 306.203 3.300 10 30 DGEERN C#CCCCNC(=O)/C=C\c1ccc(C)cc1Br ZINC000700591879 660630243 /nfs/dbraw/zinc/63/02/43/660630243.db2.gz ADOKGOIPHJCONJ-HJWRWDBZSA-N 0 0 306.203 3.300 10 30 DGEERN C#CCN(CC)C(=O)/C=C/c1ccc(C)cc1Br ZINC000704339876 660807829 /nfs/dbraw/zinc/80/78/29/660807829.db2.gz XRPWEBDRUQGFKR-CMDGGOBGSA-N 0 0 306.203 3.252 10 30 DGEERN Cc1nc(N2CC[C@H](c3nccs3)C2)c(Cl)cc1C#N ZINC000710494973 660932580 /nfs/dbraw/zinc/93/25/80/660932580.db2.gz WATMRAICWSNNAC-JTQLQIEISA-N 0 0 304.806 3.366 10 30 DGEERN C=C[C@H](C)OC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000187557205 655551100 /nfs/dbraw/zinc/55/11/00/655551100.db2.gz ZVAYGZJSQKYEIM-QMMMGPOBSA-N 0 0 302.273 3.037 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000187588295 655552538 /nfs/dbraw/zinc/55/25/38/655552538.db2.gz VBNAVKCQFBKBBO-SJKOYZFVSA-N 0 0 302.374 3.396 10 30 DGEERN N#Cc1ccc(CNC(=O)NC/C=C\c2ccccc2)c(F)c1 ZINC000255083247 655595194 /nfs/dbraw/zinc/59/51/94/655595194.db2.gz TYIDENZCZDWZKS-DAXSKMNVSA-N 0 0 309.344 3.210 10 30 DGEERN Cc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)s1 ZINC000175832048 655660269 /nfs/dbraw/zinc/66/02/69/655660269.db2.gz ISDFPIGAONXFSX-UHFFFAOYSA-N 0 0 301.371 3.281 10 30 DGEERN N#Cc1ccc(Br)cc1OCC1(O)CCCCC1 ZINC000307938659 655671043 /nfs/dbraw/zinc/67/10/43/655671043.db2.gz SYTSHHORYAJSFY-UHFFFAOYSA-N 0 0 310.191 3.395 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000156766289 655673251 /nfs/dbraw/zinc/67/32/51/655673251.db2.gz VHDZEWXJHITIKC-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccc(F)c(OC)c2)ccc1O ZINC000255306461 655695847 /nfs/dbraw/zinc/69/58/47/655695847.db2.gz PVEBLWUNQHDUSH-CLTKARDFSA-N 0 0 302.301 3.445 10 30 DGEERN COc1ccc(O)c(/C=N\[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000255330414 655701846 /nfs/dbraw/zinc/70/18/46/655701846.db2.gz VVHCQOLUYPUQLO-VJOZSWGJSA-N 0 0 324.380 3.015 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176127084 655740650 /nfs/dbraw/zinc/74/06/50/655740650.db2.gz KUSXIXJPBLHSAD-CQSZACIVSA-N 0 0 311.341 3.319 10 30 DGEERN CC[C@@H](OC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1F ZINC000176147186 655743993 /nfs/dbraw/zinc/74/39/93/655743993.db2.gz RCEYLUPMPQDLTC-OAHLLOKOSA-N 0 0 304.296 3.483 10 30 DGEERN CCOc1cccc(/C=N/[C@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000158158739 655774767 /nfs/dbraw/zinc/77/47/67/655774767.db2.gz LRDCAEGIKLUEJZ-ZGXHQARYSA-N 0 0 315.417 3.191 10 30 DGEERN Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000128142107 655822732 /nfs/dbraw/zinc/82/27/32/655822732.db2.gz ARLXCYYONKIRLB-QGZVFWFLSA-N 0 0 306.365 3.275 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000255658006 655886194 /nfs/dbraw/zinc/88/61/94/655886194.db2.gz KXTGDJLWQMVHHI-DVFVSVACSA-N 0 0 316.376 3.244 10 30 DGEERN N#C[C@@H](OC(=O)CCc1cc(Br)cs1)C1CC1 ZINC000177042155 655889705 /nfs/dbraw/zinc/88/97/05/655889705.db2.gz BATFBXHODCRZSJ-LLVKDONJSA-N 0 0 314.204 3.289 10 30 DGEERN COc1ccc(O)c(/C=N\[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000255720653 655891747 /nfs/dbraw/zinc/89/17/47/655891747.db2.gz GDLHZPUXLALJGD-ZDFPAGSVSA-N 0 0 313.353 3.352 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)NC[C@@H](C)C#N ZINC000255741046 655892614 /nfs/dbraw/zinc/89/26/14/655892614.db2.gz KVLBPKCWQOADPC-CKXPSTMWSA-N 0 0 323.396 3.313 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](C)CC#N ZINC000255772295 655900988 /nfs/dbraw/zinc/90/09/88/655900988.db2.gz MIMLZQVLPBYCFY-QIAWRQBBSA-N 0 0 323.396 3.455 10 30 DGEERN CCOc1cccc(/C=N/[C@H](C)c2ccncc2OC)c1O ZINC000187742694 655903334 /nfs/dbraw/zinc/90/33/34/655903334.db2.gz XZKQVECBUJIKNC-AINDZBIGSA-N 0 0 300.358 3.375 10 30 DGEERN C#CCCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179693731 655912104 /nfs/dbraw/zinc/91/21/04/655912104.db2.gz PJRPSMYDGOSQLZ-UHFFFAOYSA-N 0 0 317.392 3.438 10 30 DGEERN C=C(Br)CN1CCCSC[C@@H]1C(F)(F)F ZINC000725519602 655913116 /nfs/dbraw/zinc/91/31/16/655913116.db2.gz JVHOLBSTBUEBRG-MRVPVSSYSA-N 0 0 304.175 3.265 10 30 DGEERN C#CC[C@@H](OC(=O)CCN(Cc1ccccc1)C(C)=O)C(C)C ZINC000177732353 655943533 /nfs/dbraw/zinc/94/35/33/655943533.db2.gz VFXYHPQCJVXYEL-GOSISDBHSA-N 0 0 315.413 3.016 10 30 DGEERN C#CC[C@@H](OC(=O)/C=C/c1ccc(OC)c(OC)c1)C(C)C ZINC000177729037 655943574 /nfs/dbraw/zinc/94/35/74/655943574.db2.gz XGHGTBJLNGEYBZ-SLZMIMFISA-N 0 0 302.370 3.308 10 30 DGEERN N#C[C@H](COC(=O)Cc1cccc(F)c1F)Cc1cccs1 ZINC000181423897 655993971 /nfs/dbraw/zinc/99/39/71/655993971.db2.gz BIVQFTWBEXSQIN-LLVKDONJSA-N 0 0 321.348 3.494 10 30 DGEERN N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715796908 661214476 /nfs/dbraw/zinc/21/44/76/661214476.db2.gz OXYIXFCDNNBMCE-PELKAZGASA-N 0 0 313.170 3.076 10 30 DGEERN C=CCOc1ccc(CNc2ccc(-n3nccn3)cc2)cc1 ZINC000236685667 656117800 /nfs/dbraw/zinc/11/78/00/656117800.db2.gz MDKICEFOGUBUOS-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN CC[C@H](CC#N)OC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000188073629 656143230 /nfs/dbraw/zinc/14/32/30/656143230.db2.gz GDCWIVFLHHVOMV-OAHLLOKOSA-N 0 0 305.349 3.109 10 30 DGEERN CC(C)(CCC#N)COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000195077503 656208857 /nfs/dbraw/zinc/20/88/57/656208857.db2.gz WNAAKDUBEITBKD-UHFFFAOYSA-N 0 0 304.346 3.401 10 30 DGEERN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000178547835 656789968 /nfs/dbraw/zinc/78/99/68/656789968.db2.gz YRXHMIUFXNISKI-UHFFFAOYSA-N 0 0 308.337 3.214 10 30 DGEERN CC(C)Oc1ccc(NCc2nnc(C(C)C)n2C)cc1C#N ZINC000178788002 657053529 /nfs/dbraw/zinc/05/35/29/657053529.db2.gz JRHBRFHRDATBAV-UHFFFAOYSA-N 0 0 313.405 3.209 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H](C)n1nc(C)cc1C ZINC000120235394 657296518 /nfs/dbraw/zinc/29/65/18/657296518.db2.gz AVNDSWGUNHOHQW-CQSZACIVSA-N 0 0 314.385 3.404 10 30 DGEERN C=CC[C@@]1(C(=O)NC2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000190389968 657364251 /nfs/dbraw/zinc/36/42/51/657364251.db2.gz BKFLIWGBLDPTEY-SFHVURJKSA-N 0 0 322.449 3.391 10 30 DGEERN C=CCOc1ccc(COC(=O)CSc2ccncc2)cc1 ZINC000183571034 657380913 /nfs/dbraw/zinc/38/09/13/657380913.db2.gz ICCHFYWODGBLON-UHFFFAOYSA-N 0 0 315.394 3.482 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000183632949 657381133 /nfs/dbraw/zinc/38/11/33/657381133.db2.gz JOWNIGSMWVSIJW-SOUVJXGZSA-N 0 0 318.417 3.207 10 30 DGEERN C=C(Br)CNC(=O)Cc1coc2cc(OC)ccc12 ZINC000049297584 657383284 /nfs/dbraw/zinc/38/32/84/657383284.db2.gz DUABRPISOBMRFV-UHFFFAOYSA-N 0 0 324.174 3.009 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)OCCc1cn(-c2ccc(F)cc2)nn1 ZINC000193901128 657384033 /nfs/dbraw/zinc/38/40/33/657384033.db2.gz LKFIQQGYBPCNLA-CYBMUJFWSA-N 0 0 317.364 3.094 10 30 DGEERN C=CCOc1ccc(COC(=O)Cc2cn3ccccc3n2)cc1 ZINC000186196214 657405547 /nfs/dbraw/zinc/40/55/47/657405547.db2.gz WGBUGMFDIDSIOR-UHFFFAOYSA-N 0 0 322.364 3.185 10 30 DGEERN C=CCN(C/C=C\c1ccccc1)C(=O)c1cc(C)nc(C)n1 ZINC000096797949 657556248 /nfs/dbraw/zinc/55/62/48/657556248.db2.gz PGGLZABLBRQCCO-FLIBITNWSA-N 0 0 307.397 3.435 10 30 DGEERN N#Cc1ccccc1OCC(=O)Nc1ccnn1C1CCCCC1 ZINC000097634375 657656405 /nfs/dbraw/zinc/65/64/05/657656405.db2.gz FZORWGDNMDDOEG-UHFFFAOYSA-N 0 0 324.384 3.277 10 30 DGEERN C[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCCO1 ZINC000720616306 658018542 /nfs/dbraw/zinc/01/85/42/658018542.db2.gz KIEQVLVUDXGBIF-ZANVPECISA-N 0 0 323.190 3.074 10 30 DGEERN C=C(Br)COC(=O)c1oc(CC(C)C)nc1C ZINC000189733042 658142487 /nfs/dbraw/zinc/14/24/87/658142487.db2.gz GXOPJRUJHNDQOS-UHFFFAOYSA-N 0 0 302.168 3.247 10 30 DGEERN N#Cc1ccccc1N1C(=O)/C(=C\c2ccccn2)SC1=S ZINC000055190836 658917171 /nfs/dbraw/zinc/91/71/71/658917171.db2.gz HICWOBJDNAVSHZ-NTEUORMPSA-N 0 0 323.402 3.359 10 30 DGEERN C#CCOCCC(=O)O[C@@H](C)c1ccccc1C(F)(F)F ZINC000165823737 659007931 /nfs/dbraw/zinc/00/79/31/659007931.db2.gz XHJFXWCLWCMFGE-NSHDSACASA-N 0 0 300.276 3.350 10 30 DGEERN C#CCOCCC(=O)O[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000166558317 659035917 /nfs/dbraw/zinc/03/59/17/659035917.db2.gz MNRXPIDLEINCCU-LBPRGKRZSA-N 0 0 312.312 3.241 10 30 DGEERN C#CC[C@H](OC(=O)CC1CCC2(CC1)OCCO2)C(C)(C)C ZINC000190836206 659091767 /nfs/dbraw/zinc/09/17/67/659091767.db2.gz NLIOSAVOAXUAQL-HNNXBMFYSA-N 0 0 308.418 3.291 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000157693291 659094059 /nfs/dbraw/zinc/09/40/59/659094059.db2.gz NIOJCBUWCPPJRW-UHFFFAOYSA-N 0 0 322.364 3.281 10 30 DGEERN CCOCc1nc(Cl)cc(NCc2ccc(C#N)cc2)n1 ZINC000129968849 659250877 /nfs/dbraw/zinc/25/08/77/659250877.db2.gz NCXSAPFZFKBEHU-UHFFFAOYSA-N 0 0 302.765 3.150 10 30 DGEERN CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCSC)cc1 ZINC000171481382 659282904 /nfs/dbraw/zinc/28/29/04/659282904.db2.gz WPUUOLJGOYPOMB-OAHLLOKOSA-N 0 0 318.442 3.430 10 30 DGEERN CC(=CC(O)=CC(=O)NC1CCCCC1)NC1CCCCC1 ZINC000229797842 659283240 /nfs/dbraw/zinc/28/32/40/659283240.db2.gz YJVWDJUINXMQBF-OWBHPGMISA-N 0 0 306.450 3.221 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)NC[C@H](C)C#N ZINC000171837849 659300467 /nfs/dbraw/zinc/30/04/67/659300467.db2.gz KVLBPKCWQOADPC-MYSGNRETSA-N 0 0 323.396 3.313 10 30 DGEERN C#Cc1cccc(N(C)Cc2ccc(Br)cn2)c1 ZINC000171973115 659308141 /nfs/dbraw/zinc/30/81/41/659308141.db2.gz URWNCNJQRJNMIQ-UHFFFAOYSA-N 0 0 301.187 3.462 10 30 DGEERN C=C(CSc1nncn1-c1cccc(Cl)c1)C(=O)OCC ZINC000172293661 659327437 /nfs/dbraw/zinc/32/74/37/659327437.db2.gz KJVCOBXJFOCFKJ-UHFFFAOYSA-N 0 0 323.805 3.132 10 30 DGEERN CC[C@H]1CCCCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172486462 659340177 /nfs/dbraw/zinc/34/01/77/659340177.db2.gz BUNLUUYCDOLATB-INIZCTEOSA-N 0 0 315.417 3.453 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@@H](C)n2nc(C)cc2C)cc1 ZINC000173525182 659390674 /nfs/dbraw/zinc/39/06/74/659390674.db2.gz JKCMFMVKZKNTSF-CQSZACIVSA-N 0 0 300.358 3.231 10 30 DGEERN C#C[C@@H](C)OC(=O)CCCOc1cccc(Br)c1 ZINC000174416195 659432375 /nfs/dbraw/zinc/43/23/75/659432375.db2.gz MWPJNROCPFEDRG-LLVKDONJSA-N 0 0 311.175 3.173 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)OCC3(CC#N)CC3)cc2)n1 ZINC000174738287 659580456 /nfs/dbraw/zinc/58/04/56/659580456.db2.gz RFKDEZHWBWJYED-UHFFFAOYSA-N 0 0 323.396 3.399 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000089318806 659616482 /nfs/dbraw/zinc/61/64/82/659616482.db2.gz BSBNAYDPXWLPDH-WDEREUQCSA-N 0 0 323.311 3.048 10 30 DGEERN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cc1cccc(F)c1 ZINC000193380538 659692198 /nfs/dbraw/zinc/69/21/98/659692198.db2.gz XDBUYANHJNOPMQ-AWEZNQCLSA-N 0 0 307.328 3.131 10 30 DGEERN N#C[C@@H](COC(=O)CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000175366821 659919137 /nfs/dbraw/zinc/91/91/37/659919137.db2.gz SUKUUUOTTZOFQD-IRXDYDNUSA-N 0 0 301.386 3.261 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(OCCCOC)c1)C1CC1 ZINC000175347019 659919224 /nfs/dbraw/zinc/91/92/24/659919224.db2.gz HVGBNCHHDJXKMJ-KRWDZBQOSA-N 0 0 302.370 3.061 10 30 DGEERN C/C(=C\C(=O)N[C@@H](C#N)C1CC1)c1ccccc1OC(F)F ZINC000175394357 659920712 /nfs/dbraw/zinc/92/07/12/659920712.db2.gz OTFHMBICRUMQKU-FROQITRMSA-N 0 0 306.312 3.110 10 30 DGEERN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180057741 659950437 /nfs/dbraw/zinc/95/04/37/659950437.db2.gz FTHZMHXVXGXUCE-OAGGEKHMSA-N 0 0 311.381 3.212 10 30 DGEERN N#C[C@@H](COC(=O)CCc1ccccn1)Cc1cccs1 ZINC000180097660 659951920 /nfs/dbraw/zinc/95/19/20/659951920.db2.gz NRIKUBRAONLQNP-ZDUSSCGKSA-N 0 0 300.383 3.001 10 30 DGEERN CCOc1ccccc1OCCCC(=O)OCC(C)(C)C#N ZINC000180130509 659952953 /nfs/dbraw/zinc/95/29/53/659952953.db2.gz OQYQQLXBQCLMBC-UHFFFAOYSA-N 0 0 305.374 3.337 10 30 DGEERN C#CCCCCCOC(=O)CCc1c(C)nc(SC)nc1C ZINC000180354567 659960917 /nfs/dbraw/zinc/96/09/17/659960917.db2.gz WMBXOTBATDZZFE-UHFFFAOYSA-N 0 0 320.458 3.485 10 30 DGEERN C#CCCCCC(=O)O[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000180764512 659969981 /nfs/dbraw/zinc/96/99/81/659969981.db2.gz KHBSQMDUIAWJPK-GJZGRUSLSA-N 0 0 323.433 3.417 10 30 DGEERN C=CCc1ccccc1OC(=O)C1CCC(C(=O)OC)CC1 ZINC000181006301 659977115 /nfs/dbraw/zinc/97/71/15/659977115.db2.gz UFRRMHRSGNPUAD-UHFFFAOYSA-N 0 0 302.370 3.300 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000181069521 659978664 /nfs/dbraw/zinc/97/86/64/659978664.db2.gz LBPFLIWYBRAJBN-OAHLLOKOSA-N 0 0 310.438 3.060 10 30 DGEERN C=C[C@@H](CC)OC(=O)CCc1ccc(OC)c(OC)c1OC ZINC000181225127 659987795 /nfs/dbraw/zinc/98/77/95/659987795.db2.gz DMHFXBXNBRMCAF-ZDUSSCGKSA-N 0 0 308.374 3.153 10 30 DGEERN C=C[C@@H](CC)OC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000181238850 659988928 /nfs/dbraw/zinc/98/89/28/659988928.db2.gz SJENLGRLPXWJDP-RDJZCZTQSA-N 0 0 301.386 3.030 10 30 DGEERN C#CC[C@@H](OC(=O)c1sccc1COC)c1ccccn1 ZINC000181673043 660014793 /nfs/dbraw/zinc/01/47/93/660014793.db2.gz LUWNZMOAVGCECS-CQSZACIVSA-N 0 0 301.367 3.211 10 30 DGEERN CC(=O)c1ccc(OCCCC(=O)O[C@H](C#N)C(C)C)cc1 ZINC000182910656 660088430 /nfs/dbraw/zinc/08/84/30/660088430.db2.gz ZPKYIXWKOUNQCL-MRXNPFEDSA-N 0 0 303.358 3.140 10 30 DGEERN C=CCOc1ccc(COC(=O)CCc2cscn2)cc1 ZINC000183575984 660124745 /nfs/dbraw/zinc/12/47/45/660124745.db2.gz XZKCSDSFSZFEEX-UHFFFAOYSA-N 0 0 303.383 3.384 10 30 DGEERN N#CC1(COC(=O)Cc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000183895625 660146211 /nfs/dbraw/zinc/14/62/11/660146211.db2.gz QCQDYHUHKOCSGC-UHFFFAOYSA-N 0 0 313.275 3.365 10 30 DGEERN N#CC1(COC(=O)C[C@@H]2CCCc3ccccc32)CCOCC1 ZINC000183909965 660146603 /nfs/dbraw/zinc/14/66/03/660146603.db2.gz GPNWKYPRFCOGKU-INIZCTEOSA-N 0 0 313.397 3.360 10 30 DGEERN C[C@H](CC(=O)OCC1(C#N)CCOCC1)c1ccccc1F ZINC000183908318 660146646 /nfs/dbraw/zinc/14/66/46/660146646.db2.gz RFNJCSWSYFFANM-CYBMUJFWSA-N 0 0 305.349 3.183 10 30 DGEERN Cc1cccc(OCCCC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183978017 660151013 /nfs/dbraw/zinc/15/10/13/660151013.db2.gz ISXBVEKPGKUMDF-UHFFFAOYSA-N 0 0 317.385 3.018 10 30 DGEERN N#CC1(COC(=O)C2(c3cccc(F)c3)CCC2)CCOCC1 ZINC000183973465 660151083 /nfs/dbraw/zinc/15/10/83/660151083.db2.gz AHHGKDOBHUUWMB-UHFFFAOYSA-N 0 0 317.360 3.111 10 30 DGEERN C#CCCCCNC(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000184555103 660172765 /nfs/dbraw/zinc/17/27/65/660172765.db2.gz QGBBJYZNJHUVNA-KRWDZBQOSA-N 0 0 313.445 3.100 10 30 DGEERN C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCOCC1 ZINC000156066535 661857388 /nfs/dbraw/zinc/85/73/88/661857388.db2.gz OERPNIUPEGRVHZ-CYBMUJFWSA-N 0 0 317.385 3.074 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H](CC)c2nccs2)cc1 ZINC000156949136 661865366 /nfs/dbraw/zinc/86/53/66/661865366.db2.gz FKUGCNFHBNXAKF-CQSZACIVSA-N 0 0 300.383 3.036 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000157711174 661868533 /nfs/dbraw/zinc/86/85/33/661868533.db2.gz OJPQRXNOJXJPKR-RFZPGFLSSA-N 0 0 314.172 3.357 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSc2cccc(F)c2)c1 ZINC000158830823 661878780 /nfs/dbraw/zinc/87/87/80/661878780.db2.gz ICCGFKJPNDBVPQ-UHFFFAOYSA-N 0 0 321.398 3.263 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(C[S@@](C)=O)c1)C(C)(C)C ZINC000159889561 661897470 /nfs/dbraw/zinc/89/74/70/661897470.db2.gz IRNZJWQKUAFSJZ-VFNWGFHPSA-N 0 0 306.427 3.160 10 30 DGEERN CC[C@H](CC#N)OC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000187986870 661910749 /nfs/dbraw/zinc/91/07/49/661910749.db2.gz CGJYWVHFQSILAL-OAHLLOKOSA-N 0 0 305.349 3.109 10 30 DGEERN C#CCOc1ccccc1NC(=O)NCCc1ccsc1 ZINC000188047334 661912429 /nfs/dbraw/zinc/91/24/29/661912429.db2.gz XIBKDWFSHALHAV-UHFFFAOYSA-N 0 0 300.383 3.124 10 30 DGEERN C=C(C)CN(C)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000189029553 661960241 /nfs/dbraw/zinc/96/02/41/661960241.db2.gz NYGPEYJADPPZOD-UHFFFAOYSA-N 0 0 305.378 3.077 10 30 DGEERN C=CC[C@H](OC(=O)CC1(CS(C)(=O)=O)CC1)c1ccccc1 ZINC000189237093 661970263 /nfs/dbraw/zinc/97/02/63/661970263.db2.gz XNPQNKMUUUEZPQ-HNNXBMFYSA-N 0 0 322.426 3.062 10 30 DGEERN C=CCCCN(C)Cn1nc(-c2ccccc2)n(C)c1=S ZINC000076664819 661992067 /nfs/dbraw/zinc/99/20/67/661992067.db2.gz MZJNJUJZLPJNIA-UHFFFAOYSA-N 0 0 302.447 3.474 10 30 DGEERN Cc1ccc(N2CCOC2=O)cc1NCC#Cc1ccccc1 ZINC000190382945 662030173 /nfs/dbraw/zinc/03/01/73/662030173.db2.gz LEESAXMALHHWCU-UHFFFAOYSA-N 0 0 306.365 3.415 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)Cc1ccc(OC)c(F)c1 ZINC000191093022 662053990 /nfs/dbraw/zinc/05/39/90/662053990.db2.gz NXSOLPWDCVVZRG-KRWDZBQOSA-N 0 0 310.365 3.149 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cnn(-c2ccccc2)c1 ZINC000191154815 662055659 /nfs/dbraw/zinc/05/56/59/662055659.db2.gz VHADBDKBZJYHNI-SFHVURJKSA-N 0 0 314.385 3.258 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@H]2CCC[C@H](OC)C2)cc1OC ZINC000078232407 662055949 /nfs/dbraw/zinc/05/59/49/662055949.db2.gz JLPBAEUKXMWNTG-GJZGRUSLSA-N 0 0 320.385 3.374 10 30 DGEERN CCc1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cs1 ZINC000078359241 662061469 /nfs/dbraw/zinc/06/14/69/662061469.db2.gz PIFGGXMWQJLCDW-LLVKDONJSA-N 0 0 316.382 3.088 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000078761345 662083899 /nfs/dbraw/zinc/08/38/99/662083899.db2.gz KXOLROMLRICHKO-SJKOYZFVSA-N 0 0 320.348 3.372 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000192433876 662098084 /nfs/dbraw/zinc/09/80/84/662098084.db2.gz ZHQWNTDUTKQWNK-CYBMUJFWSA-N 0 0 319.361 3.271 10 30 DGEERN C#CC[C@@H](OC(=O)c1cc(Cl)nc(N2CCCC2)c1)C1CC1 ZINC000079206822 662103551 /nfs/dbraw/zinc/10/35/51/662103551.db2.gz SCEUIYNAYJIHAT-CQSZACIVSA-N 0 0 318.804 3.294 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(OCCCOC)cc1)C1CC1 ZINC000079206766 662103610 /nfs/dbraw/zinc/10/36/10/662103610.db2.gz PGJKNLVIUDIBDE-QGZVFWFLSA-N 0 0 302.370 3.061 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(F)cc1F)C1CC1 ZINC000079204740 662103696 /nfs/dbraw/zinc/10/36/96/662103696.db2.gz JCWGUESMCXHOJX-INIZCTEOSA-N 0 0 306.308 3.273 10 30 DGEERN Cc1ccc(OCC(=O)OC[C@H](C#N)Cc2ccccc2)cc1 ZINC000079222539 662104621 /nfs/dbraw/zinc/10/46/21/662104621.db2.gz PXWSWISKNNAKOE-KRWDZBQOSA-N 0 0 309.365 3.300 10 30 DGEERN COCc1ccccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079221723 662104699 /nfs/dbraw/zinc/10/46/99/662104699.db2.gz ALVSLGMAGBCIDZ-MRXNPFEDSA-N 0 0 309.365 3.372 10 30 DGEERN COc1ccc(OCCC(=O)OCC#Cc2ccccc2)cc1 ZINC000079340733 662107350 /nfs/dbraw/zinc/10/73/50/662107350.db2.gz PCVFQDILNPVNSU-UHFFFAOYSA-N 0 0 310.349 3.059 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2csc(C(F)(F)F)n2)c1 ZINC000193147702 662124307 /nfs/dbraw/zinc/12/43/07/662124307.db2.gz TXIWULACHBTATJ-UHFFFAOYSA-N 0 0 310.300 3.420 10 30 DGEERN C=CCc1ccccc1OC(=O)C1CCN(c2cnccn2)CC1 ZINC000080254305 662134223 /nfs/dbraw/zinc/13/42/23/662134223.db2.gz UWHVIRMDDYIUCE-UHFFFAOYSA-N 0 0 323.396 3.027 10 30 DGEERN C#C[C@H](C)OC(=O)CCCc1ccc(Br)s1 ZINC000080294675 662135331 /nfs/dbraw/zinc/13/53/31/662135331.db2.gz YROLELWFRLCGHU-VIFPVBQESA-N 0 0 301.205 3.398 10 30 DGEERN C#C[C@@H](C)OC(=O)CCCc1ccc(Br)s1 ZINC000080294677 662135359 /nfs/dbraw/zinc/13/53/59/662135359.db2.gz YROLELWFRLCGHU-SECBINFHSA-N 0 0 301.205 3.398 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1cc(F)cc(Br)c1 ZINC000080382886 662138681 /nfs/dbraw/zinc/13/86/81/662138681.db2.gz BEHICVOPCMNTPM-NSHDSACASA-N 0 0 300.127 3.293 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)CCc1ccccc1Br ZINC000080386393 662139075 /nfs/dbraw/zinc/13/90/75/662139075.db2.gz UFNIXVRBACIHNZ-ZDUSSCGKSA-N 0 0 310.191 3.473 10 30 DGEERN CC(=O)CCc1ccc(OCCC(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000080389189 662139460 /nfs/dbraw/zinc/13/94/60/662139460.db2.gz SXVMPRZAZULHTB-KRWDZBQOSA-N 0 0 317.385 3.068 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1ccc(Br)cc1F ZINC000080390982 662139560 /nfs/dbraw/zinc/13/95/60/662139560.db2.gz DDXWUOPFGFPTRH-LLVKDONJSA-N 0 0 300.127 3.293 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cccc(-n3cncn3)c2)cc1 ZINC000081323599 662164936 /nfs/dbraw/zinc/16/49/36/662164936.db2.gz KIPVBNNMGIHYCU-UHFFFAOYSA-N 0 0 321.336 3.051 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(OC(F)(F)F)cc1 ZINC000081550496 662169203 /nfs/dbraw/zinc/16/92/03/662169203.db2.gz WGAXJCQUOMAYNJ-UHFFFAOYSA-N 0 0 310.231 3.015 10 30 DGEERN C[C@@H]1CN(C(=O)C#Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000081836620 662173902 /nfs/dbraw/zinc/17/39/02/662173902.db2.gz HSHBOIJPEOVSOJ-BEFAXECRSA-N 0 0 323.367 3.166 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000194882313 662175425 /nfs/dbraw/zinc/17/54/25/662175425.db2.gz CHMFAWSCNALTBL-LLVKDONJSA-N 0 0 301.308 3.203 10 30 DGEERN COCCOc1cccc(C(=O)OCC(C)(C)CCC#N)c1 ZINC000195052975 662177328 /nfs/dbraw/zinc/17/73/28/662177328.db2.gz VTSNLVQVOTUQMG-UHFFFAOYSA-N 0 0 305.374 3.199 10 30 DGEERN CCCCCCCS(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000195057531 662177364 /nfs/dbraw/zinc/17/73/64/662177364.db2.gz OXRSSMNGPWNVOU-HNNXBMFYSA-N 0 0 311.447 3.400 10 30 DGEERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCC(C)(C)CCC#N ZINC000195071398 662177410 /nfs/dbraw/zinc/17/74/10/662177410.db2.gz CSRSYLHDYZDJOA-CQSZACIVSA-N 0 0 322.449 3.287 10 30 DGEERN COc1ccc(C[C@@H](C)OC(=O)c2cc(C#N)cs2)cc1 ZINC000083940847 662197806 /nfs/dbraw/zinc/19/78/06/662197806.db2.gz SKLCOTRBJOPDDH-LLVKDONJSA-N 0 0 301.367 3.416 10 30 DGEERN C#CCOc1ccccc1OC(=O)Cc1ccc(F)cc1F ZINC000087257104 662224696 /nfs/dbraw/zinc/22/46/96/662224696.db2.gz WYBWJBKASORWDZ-UHFFFAOYSA-N 0 0 302.276 3.125 10 30 DGEERN C=CCC[C@@H](C)OC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089320433 662241838 /nfs/dbraw/zinc/24/18/38/662241838.db2.gz NLIAKEUGFKZHNE-CQSZACIVSA-N 0 0 317.385 3.090 10 30 DGEERN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000246151462 662248736 /nfs/dbraw/zinc/24/87/36/662248736.db2.gz PEAIPXMDIWGIPS-IHRRRGAJSA-N 0 0 302.761 3.033 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1cnc([C@@H]2CCCO2)s1 ZINC000089967520 662251280 /nfs/dbraw/zinc/25/12/80/662251280.db2.gz QGZNAMVBLNYJIX-AWEZNQCLSA-N 0 0 313.378 3.203 10 30 DGEERN C#CCN(CC#C)C(=O)c1cc2ccccc2cc1OC(F)F ZINC000090631078 662269955 /nfs/dbraw/zinc/26/99/55/662269955.db2.gz XJKRFKKDQXTRKS-UHFFFAOYSA-N 0 0 313.303 3.150 10 30 DGEERN C=CCN(CC=C)C(=O)COc1c(C)cc(Cl)cc1C=O ZINC000091604059 662310983 /nfs/dbraw/zinc/31/09/83/662310983.db2.gz VIIWETMEPVIEES-UHFFFAOYSA-N 0 0 307.777 3.040 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000091693153 662313144 /nfs/dbraw/zinc/31/31/44/662313144.db2.gz CMAGXDQVUOQFLC-CQSZACIVSA-N 0 0 303.358 3.347 10 30 DGEERN N#Cc1ccc(CCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000247656172 662326527 /nfs/dbraw/zinc/32/65/27/662326527.db2.gz PJSBRTYKADNHFH-UHFFFAOYSA-N 0 0 308.385 3.441 10 30 DGEERN C#CC[C@@H](OC(=O)/C=C/c1ccnc(Cl)c1)c1ccccn1 ZINC000092699127 662334030 /nfs/dbraw/zinc/33/40/30/662334030.db2.gz AZEFXAWQPKUUPE-MVGZEHJDSA-N 0 0 312.756 3.451 10 30 DGEERN Cc1cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)ccc1C#N ZINC000489028596 685262887 /nfs/dbraw/zinc/26/28/87/685262887.db2.gz QRQFYSYGKCRVEV-CQSZACIVSA-N 0 0 309.417 3.158 10 30 DGEERN C#C[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000174434991 685105714 /nfs/dbraw/zinc/10/57/14/685105714.db2.gz FCSICOPIWSIYQD-WDEREUQCSA-N 0 0 311.175 3.090 10 30 DGEERN Cc1cccc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000189050878 685114991 /nfs/dbraw/zinc/11/49/91/685114991.db2.gz MMRQGDPQPZVMCB-UHFFFAOYSA-N 0 0 318.298 3.077 10 30 DGEERN C=CC(C)(C)C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000449939673 1176124973 /nfs/dbraw/zinc/12/49/73/1176124973.db2.gz OEXFUUPDDGXHQF-UHFFFAOYSA-N 0 0 315.339 3.347 10 30 DGEERN Cc1cnc(Br)c(NC(=O)c2cccc(C#N)c2)c1 ZINC000311547510 1176737928 /nfs/dbraw/zinc/73/79/28/1176737928.db2.gz IEHFHICIDDRZBM-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C=CCONC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000387286162 1177533612 /nfs/dbraw/zinc/53/36/12/1177533612.db2.gz HDZHNFSBNNNZNM-UHFFFAOYSA-N 0 0 324.096 3.315 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000045241083 1194318714 /nfs/dbraw/zinc/31/87/14/1194318714.db2.gz QTPMAOKSGRSGAG-LBPRGKRZSA-N 0 0 310.353 3.066 10 30 DGEERN N#CCOc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1 ZINC000059952904 1195125235 /nfs/dbraw/zinc/12/52/35/1195125235.db2.gz CRPMDRASCXUYKS-UHFFFAOYSA-N 0 0 301.733 3.077 10 30 DGEERN CN1c2ccc(C(=O)Nc3cccc(C#N)c3)cc2C(C)(C)C1=O ZINC000074954299 1196331193 /nfs/dbraw/zinc/33/11/93/1196331193.db2.gz YVELVTAKEQXSFD-UHFFFAOYSA-N 0 0 319.364 3.065 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000364464777 1197699156 /nfs/dbraw/zinc/69/91/56/1197699156.db2.gz YXPYTIFMYAFQCH-SJORKVTESA-N 0 0 324.428 3.261 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000386746633 1197707748 /nfs/dbraw/zinc/70/77/48/1197707748.db2.gz YSIMRUVHJVWXHS-UHFFFAOYSA-N 0 0 306.431 3.282 10 30 DGEERN N#Cc1cccc(NC(=O)c2ccc(Br)cc2N)c1 ZINC000094026370 1198748961 /nfs/dbraw/zinc/74/89/61/1198748961.db2.gz UQZFQJVYSFCAAZ-UHFFFAOYSA-N 0 0 316.158 3.155 10 30 DGEERN Cc1cc(C(=O)NCCCCC#N)sc1Br ZINC000094470531 1198787419 /nfs/dbraw/zinc/78/74/19/1198787419.db2.gz IYDUNDSKSMDKMN-UHFFFAOYSA-N 0 0 301.209 3.243 10 30 DGEERN C[C@@H](Nc1ccc(C#N)c(Br)c1)c1ccnn1C ZINC000306101431 1199694240 /nfs/dbraw/zinc/69/42/40/1199694240.db2.gz PNYWFXQVXGYDBO-SECBINFHSA-N 0 0 305.179 3.227 10 30 DGEERN N#Cc1ccc(Br)cc1Oc1cccnc1C#N ZINC000308076388 1199702093 /nfs/dbraw/zinc/70/20/93/1199702093.db2.gz FSULPFPIUKKFEV-UHFFFAOYSA-N 0 0 300.115 3.380 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2cnc3ccccn23)cc1 ZINC000114767058 1199716185 /nfs/dbraw/zinc/71/61/85/1199716185.db2.gz UTUCVYVCIMFIII-UHFFFAOYSA-N 0 0 321.384 3.254 10 30 DGEERN C=C(CC)CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000313477579 1199767253 /nfs/dbraw/zinc/76/72/53/1199767253.db2.gz CDRGOPBBPOGFEQ-UHFFFAOYSA-N 0 0 300.156 3.439 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000317844933 1199827481 /nfs/dbraw/zinc/82/74/81/1199827481.db2.gz RYHQFOPZYVGQAI-UHFFFAOYSA-N 0 0 300.333 3.059 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000320135985 1199845071 /nfs/dbraw/zinc/84/50/71/1199845071.db2.gz LDTTZYMXXHAOEE-GJBLVYBDSA-N 0 0 314.212 3.450 10 30 DGEERN C=CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000119582957 1200088758 /nfs/dbraw/zinc/08/87/58/1200088758.db2.gz FATHBDWOWKGHLK-UHFFFAOYSA-N 0 0 321.012 3.193 10 30 DGEERN N#Cc1ccc(Br)cc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000123207829 1200276358 /nfs/dbraw/zinc/27/63/58/1200276358.db2.gz ZXXNDUMREJIRLT-GXTWGEPZSA-N 0 0 307.191 3.078 10 30 DGEERN COc1ncccc1CNc1cc(Br)ccc1C#N ZINC000124423769 1200353703 /nfs/dbraw/zinc/35/37/03/1200353703.db2.gz GDYVTVGASUQPNJ-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](C)COc2ccc(F)cc2)c1 ZINC000128274007 1200767369 /nfs/dbraw/zinc/76/73/69/1200767369.db2.gz XULXMMNUGFMSJL-CYBMUJFWSA-N 0 0 312.344 3.396 10 30 DGEERN N#CCSc1cccc(C(=O)Nc2ccc(F)nc2F)c1 ZINC000193680630 1201292420 /nfs/dbraw/zinc/29/24/20/1201292420.db2.gz HSIBMSDZUDFTNT-UHFFFAOYSA-N 0 0 305.309 3.228 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCC[C@@H]2CO)c(F)c1Br ZINC000231318553 1202599220 /nfs/dbraw/zinc/59/92/20/1202599220.db2.gz BCYPFNZKAMDPAL-NXEZZACHSA-N 0 0 313.170 3.033 10 30 DGEERN Cc1cnc(CNc2ccc(C#N)c(Br)c2F)o1 ZINC000231652096 1202599879 /nfs/dbraw/zinc/59/98/79/1202599879.db2.gz GBDPXOMXUFJHHK-UHFFFAOYSA-N 0 0 310.126 3.368 10 30 DGEERN C[C@@H](Nc1cc(Br)ccc1C#N)c1ccnn1C ZINC000235219716 1202604287 /nfs/dbraw/zinc/60/42/87/1202604287.db2.gz NJWCRPULSAYPTE-SECBINFHSA-N 0 0 305.179 3.227 10 30 DGEERN C[C@@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)CCO1 ZINC000235397593 1202604376 /nfs/dbraw/zinc/60/43/76/1202604376.db2.gz SOGAJJDBJBWYRB-PSASIEDQSA-N 0 0 313.170 3.439 10 30 DGEERN C[C@H](Nc1cc(Br)ccc1C#N)c1nccn1C ZINC000235552506 1202604517 /nfs/dbraw/zinc/60/45/17/1202604517.db2.gz QGYCUOUFRUJXIE-VIFPVBQESA-N 0 0 305.179 3.227 10 30 DGEERN Cc1cccnc1/C=C\C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000588456642 1082333199 /nfs/dbraw/zinc/33/31/99/1082333199.db2.gz JGGZPFQEOMUKPY-IBSYWUHOSA-N 0 0 306.365 3.329 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(C=NOC)cc1 ZINC000588552074 1082617516 /nfs/dbraw/zinc/61/75/16/1082617516.db2.gz KSWGARCMEPOSKG-QGZVFWFLSA-N 0 0 305.374 3.053 10 30 DGEERN CCCCCCCOC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000586273296 1087000890 /nfs/dbraw/zinc/00/08/90/1087000890.db2.gz KOUKECQSWQFANS-UHFFFAOYSA-N 0 0 322.796 3.443 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 ZINC000079154398 1087212339 /nfs/dbraw/zinc/21/23/39/1087212339.db2.gz WRZYWHRKHKRZPB-UHFFFAOYSA-N 0 0 306.431 3.073 10 30 DGEERN COc1cccc(C#CCOC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000176600247 1088156496 /nfs/dbraw/zinc/15/64/96/1088156496.db2.gz BCVUDVOMGCKNKL-UHFFFAOYSA-N 0 0 324.351 3.461 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000176603415 1088162544 /nfs/dbraw/zinc/16/25/44/1088162544.db2.gz JDAVSUDMXKSGCN-OAHLLOKOSA-N 0 0 310.349 3.057 10 30 DGEERN C=C[C@@H](C)ONC(=O)c1ccc(Br)c(Cl)c1 ZINC000400929494 1093925929 /nfs/dbraw/zinc/92/59/29/1093925929.db2.gz KCFHPXFKZVBGEJ-SSDOTTSWSA-N 0 0 304.571 3.338 10 30 DGEERN C#Cc1cccc(N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000401969263 1093982225 /nfs/dbraw/zinc/98/22/25/1093982225.db2.gz JRNMKRHYNMGRDY-IBGZPJMESA-N 0 0 320.392 3.491 10 30 DGEERN C=CC[C@H](CO)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000320177703 1095530413 /nfs/dbraw/zinc/53/04/13/1095530413.db2.gz RSQBBFBDYQPZPC-MUBLQREKSA-N 0 0 300.185 3.060 10 30 DGEERN C[C@@H](O)C[C@H](C)Nc1ccc(C#N)c(Br)c1F ZINC000231847982 1095808762 /nfs/dbraw/zinc/80/87/62/1095808762.db2.gz NMBZRUGEXVCISC-JGVFFNPUSA-N 0 0 301.159 3.031 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000081759708 192321785 /nfs/dbraw/zinc/32/17/85/192321785.db2.gz JTVUBOYWIUGDPX-LJQANCHMSA-N 0 0 307.397 3.091 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCO[C@@H]1C(=C)C ZINC000278339501 214100621 /nfs/dbraw/zinc/10/06/21/214100621.db2.gz XZCMDFAKVAHEPH-NVXWUHKLSA-N 0 0 303.377 3.322 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1Br ZINC000278350494 214107882 /nfs/dbraw/zinc/10/78/82/214107882.db2.gz XEUIRWIFJFUNNW-ZWNOBZJWSA-N 0 0 310.191 3.369 10 30 DGEERN C=CC[C@H]1N(C(=O)[C@H]2CCCc3n[nH]cc32)CCCC1(C)C ZINC000278387585 214134940 /nfs/dbraw/zinc/13/49/40/214134940.db2.gz JPSDZHNAMSVRJQ-XJKSGUPXSA-N 0 0 301.434 3.423 10 30 DGEERN COc1ccc(CSc2nc(C)nc(C)c2C#N)cc1C#N ZINC000162821739 197593773 /nfs/dbraw/zinc/59/37/73/197593773.db2.gz JRJSICXIKRYPPF-UHFFFAOYSA-N 0 0 310.382 3.138 10 30 DGEERN Cc1ccc(NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)nc1C#N ZINC000302738585 230827479 /nfs/dbraw/zinc/82/74/79/230827479.db2.gz BTROVUKHMPJKSL-RISCZKNCSA-N 0 0 313.323 3.157 10 30 DGEERN CC[C@H](CSC)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182376766 529409463 /nfs/dbraw/zinc/40/94/63/529409463.db2.gz YVJGOGFDJCUMGE-OAHLLOKOSA-N 0 0 302.443 3.455 10 30 DGEERN N#Cc1c(F)cccc1N(CCO)Cc1cccc(Cl)c1 ZINC000302686364 230350847 /nfs/dbraw/zinc/35/08/47/230350847.db2.gz BESWLKTUDKTLFI-UHFFFAOYSA-N 0 0 304.752 3.350 10 30 DGEERN CCc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)nc(C)n1 ZINC000181134399 529552340 /nfs/dbraw/zinc/55/23/40/529552340.db2.gz XPUDUFXLFNZLNU-UHFFFAOYSA-N 0 0 306.369 3.155 10 30 DGEERN CCc1ccccc1NC(=O)CNc1cc(C)nc(C)c1C#N ZINC000301811767 529594231 /nfs/dbraw/zinc/59/42/31/529594231.db2.gz ZRKFBWFZPVMUPR-UHFFFAOYSA-N 0 0 308.385 3.183 10 30 DGEERN CCc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1F ZINC000152455870 529687663 /nfs/dbraw/zinc/68/76/63/529687663.db2.gz UBVOYKUPQSEJCM-UHFFFAOYSA-N 0 0 303.381 3.143 10 30 DGEERN CC(C)COc1ccc([C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000181342826 199283479 /nfs/dbraw/zinc/28/34/79/199283479.db2.gz BOTVTRXZZNRPLC-ZDUSSCGKSA-N 0 0 311.385 3.412 10 30 DGEERN CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1cccc2ccccc21 ZINC000190378693 530033878 /nfs/dbraw/zinc/03/38/78/530033878.db2.gz BQQONTOJCWTKGF-KRWDZBQOSA-N 0 0 314.410 3.153 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000129935665 432011463 /nfs/dbraw/zinc/01/14/63/432011463.db2.gz GZODBFQPSQMFKJ-AWEZNQCLSA-N 0 0 306.365 3.258 10 30 DGEERN CCCCCCCCCCCc1nc(NCO)nc(N(C)C)n1 ZINC000103600349 432011890 /nfs/dbraw/zinc/01/18/90/432011890.db2.gz TTXOADJXVZKRHD-UHFFFAOYSA-N 0 0 323.485 3.373 10 30 DGEERN CCC1(CC)CN(c2cc(Cl)ccc2C#N)CC[S@@]1=O ZINC000302207709 282379067 /nfs/dbraw/zinc/37/90/67/282379067.db2.gz ALWSVZXSXRIJQH-HXUWFJFHSA-N 0 0 310.850 3.339 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000279708958 215079002 /nfs/dbraw/zinc/07/90/02/215079002.db2.gz KHZYRHPZZIQZIM-GDBMZVCRSA-N 0 0 305.418 3.022 10 30 DGEERN CCC[C@@H](NC(=O)c1ccc(C#N)cc1C)C(=O)OC(C)(C)C ZINC000161336508 292833826 /nfs/dbraw/zinc/83/38/26/292833826.db2.gz CEWNBTKYKWOFRQ-OAHLLOKOSA-N 0 0 316.401 3.107 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 ZINC000066712969 432020074 /nfs/dbraw/zinc/02/00/74/432020074.db2.gz SKXBBLHIOCNCHW-KDOFPFPSSA-N 0 0 306.365 3.160 10 30 DGEERN C=CC[C@@H](C(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccccc1 ZINC000277411214 213505882 /nfs/dbraw/zinc/50/58/82/213505882.db2.gz HXDTUTWASFJSBW-MRXNPFEDSA-N 0 0 308.381 3.032 10 30 DGEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCOC1 ZINC000066956207 432024736 /nfs/dbraw/zinc/02/47/36/432024736.db2.gz PXCSURXOPUITNB-QWHCGFSZSA-N 0 0 319.430 3.381 10 30 DGEERN COc1ccc(OCCN(C)C(=O)c2ccc(C#N)cc2C)cc1 ZINC000159714882 186137016 /nfs/dbraw/zinc/13/70/16/186137016.db2.gz QUVUYGMIAHLUIN-UHFFFAOYSA-N 0 0 324.380 3.026 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189977170 186258046 /nfs/dbraw/zinc/25/80/46/186258046.db2.gz NAGQRTCXBZMNEM-OCCSQVGLSA-N 0 0 302.374 3.099 10 30 DGEERN N#Cc1ccccc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253395348 186304447 /nfs/dbraw/zinc/30/44/47/186304447.db2.gz RZCKYPHUZDLKRM-YJBOKZPZSA-N 0 0 314.335 3.144 10 30 DGEERN C=C(CSc1nnc(-c2ccccc2C)o1)C(=O)OCC ZINC000172292283 198071728 /nfs/dbraw/zinc/07/17/28/198071728.db2.gz LBCVSGFFXKSETG-UHFFFAOYSA-N 0 0 304.371 3.256 10 30 DGEERN CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1O ZINC000455981698 535186338 /nfs/dbraw/zinc/18/63/38/535186338.db2.gz FBCGTXMRVRGINT-UHFFFAOYSA-N 0 0 322.408 3.191 10 30 DGEERN C=CCOCCCC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000173809425 198254880 /nfs/dbraw/zinc/25/48/80/198254880.db2.gz AEGKRPXLCLEWKE-WMLDXEAASA-N 0 0 321.392 3.097 10 30 DGEERN CCOc1ccc(-c2cc(-c3ccccn3)nc(N)c2C#N)cn1 ZINC000067674955 432034720 /nfs/dbraw/zinc/03/47/20/432034720.db2.gz VHNYWAPIVFGRTD-UHFFFAOYSA-N 0 0 317.352 3.058 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162771599 283065178 /nfs/dbraw/zinc/06/51/78/283065178.db2.gz OPHWIIQYDRWEQI-SKDRFNHKSA-N 0 0 324.178 3.139 10 30 DGEERN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](C)c1cccnc1 ZINC000132156456 432045981 /nfs/dbraw/zinc/04/59/81/432045981.db2.gz TUPLRUKUSRKJIP-LBPRGKRZSA-N 0 0 319.368 3.065 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c(=O)cc1C ZINC000164433700 432047567 /nfs/dbraw/zinc/04/75/67/432047567.db2.gz AZJGQXMRGQWPJL-UHFFFAOYSA-N 0 0 322.817 3.227 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1Nc1ccc(OC)cc1 ZINC000179239827 432051228 /nfs/dbraw/zinc/05/12/28/432051228.db2.gz TZFGNGRGFPUNSU-ZDUSSCGKSA-N 0 0 309.369 3.471 10 30 DGEERN COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1C#N ZINC000078752889 191924704 /nfs/dbraw/zinc/92/47/04/191924704.db2.gz GFCCCQAKJWSGQJ-SFHVURJKSA-N 0 0 319.364 3.296 10 30 DGEERN N#Cc1ccc(F)cc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339778591 283152019 /nfs/dbraw/zinc/15/20/19/283152019.db2.gz DTUUBTCIYXZWME-ZWKOTPCHSA-N 0 0 314.335 3.144 10 30 DGEERN C#CCOc1ccc([C@H](C)N[C@@H]2CCCn3nc(CC)nc32)cc1 ZINC000167783975 432066979 /nfs/dbraw/zinc/06/69/79/432066979.db2.gz WTIHYCORYIXSBB-WMLDXEAASA-N 0 0 324.428 3.038 10 30 DGEERN N#Cc1cnc2ccc(I)cc2c1Cl ZINC000020478066 283241478 /nfs/dbraw/zinc/24/14/78/283241478.db2.gz XNFXSSJHMYBWJY-UHFFFAOYSA-N 0 0 314.513 3.364 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168771386 432070019 /nfs/dbraw/zinc/07/00/19/432070019.db2.gz BYCODZOKAQJFEJ-GXTWGEPZSA-N 0 0 315.335 3.257 10 30 DGEERN CC(C)(O)C#C[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 ZINC000169343466 432071440 /nfs/dbraw/zinc/07/14/40/432071440.db2.gz QMAFJXRGSBWRPF-GOSISDBHSA-N 0 0 300.785 3.350 10 30 DGEERN CCOc1ccc(-c2nc(Cn3ccnc3C#N)cs2)cc1 ZINC000179883994 432073545 /nfs/dbraw/zinc/07/35/45/432073545.db2.gz DLJCUKDPKSYYHJ-UHFFFAOYSA-N 0 0 310.382 3.325 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)CCC1 ZINC000276657690 213026885 /nfs/dbraw/zinc/02/68/85/213026885.db2.gz PFYCSMFQZQTZGM-MRXNPFEDSA-N 0 0 315.413 3.196 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000276558752 212960878 /nfs/dbraw/zinc/96/08/78/212960878.db2.gz PEEBSSQGPMOKLY-UHFFFAOYSA-N 0 0 301.394 3.283 10 30 DGEERN C[C@H]1C[C@]12c1c(c3c(c4c1S(=O)(=O)O[C@H](C)C4)[C@@H](C)C3)[C@H]2C ZINC000033649341 291160771 /nfs/dbraw/zinc/16/07/71/291160771.db2.gz FODHIQQNHOPUKH-RPPHIMRXSA-N 0 0 318.438 3.391 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000170827338 432083090 /nfs/dbraw/zinc/08/30/90/432083090.db2.gz LPVFEZBLEFPHQX-BBRMVZONSA-N 0 0 313.401 3.031 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000170827335 432083143 /nfs/dbraw/zinc/08/31/43/432083143.db2.gz LPVFEZBLEFPHQX-CJNGLKHVSA-N 0 0 313.401 3.031 10 30 DGEERN C=CC[C@H](C(=O)N[C@H](C)CCC(=O)OCC)c1ccccc1 ZINC000188877451 200315422 /nfs/dbraw/zinc/31/54/22/200315422.db2.gz AHXQUVPWUUXOGB-ZBFHGGJFSA-N 0 0 303.402 3.194 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000188943365 200325570 /nfs/dbraw/zinc/32/55/70/200325570.db2.gz ODHKDYZLZDPWFL-CYBMUJFWSA-N 0 0 319.401 3.098 10 30 DGEERN C=CCC1(C(=O)NCc2c(OC)cc(OC)cc2OC)CCC1 ZINC000188947490 200326351 /nfs/dbraw/zinc/32/63/51/200326351.db2.gz DKBUXJHXDMQQCT-UHFFFAOYSA-N 0 0 319.401 3.075 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000330200101 291226322 /nfs/dbraw/zinc/22/63/22/291226322.db2.gz WHJNVVDLWMBCNA-WQVCFCJDSA-N 0 0 302.418 3.480 10 30 DGEERN C=CCC(CC=C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246088774 432093237 /nfs/dbraw/zinc/09/32/37/432093237.db2.gz JEGFOELEVIFWGT-XHSDSOJGSA-N 0 0 305.418 3.088 10 30 DGEERN Cc1csc([C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)n1 ZINC000435017362 238263943 /nfs/dbraw/zinc/26/39/43/238263943.db2.gz VDHVFQMDGNDTSX-LBPRGKRZSA-N 0 0 311.410 3.232 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000436006750 238381588 /nfs/dbraw/zinc/38/15/88/238381588.db2.gz LCPZGZNJVUKLAD-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN COc1ccc(S[C@@H](C)C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436004445 238382434 /nfs/dbraw/zinc/38/24/34/238382434.db2.gz OHKMRHPZLOSDGA-NSHDSACASA-N 0 0 313.382 3.081 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)ccn1 ZINC000193310023 201027147 /nfs/dbraw/zinc/02/71/47/201027147.db2.gz BOLPSTIILUJBOX-YJBOKZPZSA-N 0 0 305.381 3.094 10 30 DGEERN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193367880 201038791 /nfs/dbraw/zinc/03/87/91/201038791.db2.gz GRLKHJKEDLLBGP-SJCJKPOMSA-N 0 0 309.344 3.316 10 30 DGEERN Cc1ccsc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006319328 181329912 /nfs/dbraw/zinc/32/99/12/181329912.db2.gz AKEHMAUFECSKQO-RIYZIHGNSA-N 0 0 314.819 3.022 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccn1 ZINC000195032574 201330003 /nfs/dbraw/zinc/33/00/03/201330003.db2.gz AHDZHFXKCFQXHM-UHFFFAOYSA-N 0 0 321.336 3.247 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccn1 ZINC000195108697 201340312 /nfs/dbraw/zinc/34/03/12/201340312.db2.gz YCFWXNWDFQDSKV-MRXNPFEDSA-N 0 0 311.772 3.488 10 30 DGEERN N#Cc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)ccn1 ZINC000195119313 201343110 /nfs/dbraw/zinc/34/31/10/201343110.db2.gz HDKFUIQIICYFHA-UHFFFAOYSA-N 0 0 307.328 3.022 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000189905656 432101626 /nfs/dbraw/zinc/10/16/26/432101626.db2.gz GEZMAVHXEMBYOV-AWEZNQCLSA-N 0 0 313.401 3.256 10 30 DGEERN N#CCN(CC#N)C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006593679 181358399 /nfs/dbraw/zinc/35/83/99/181358399.db2.gz LOTZDRGBOKCKSR-SDXDJHTJSA-N 0 0 301.349 3.103 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)CCCC1 ZINC000449842083 240447846 /nfs/dbraw/zinc/44/78/46/240447846.db2.gz BYXSFTDYZWEETR-HNNXBMFYSA-N 0 0 320.477 3.276 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000449906704 240474383 /nfs/dbraw/zinc/47/43/83/240474383.db2.gz ZWFFIICRODUVPT-DOTOQJQBSA-N 0 0 307.397 3.038 10 30 DGEERN CCS[C@@H](C)c1noc(CN(C)Cc2cc(C#N)cs2)n1 ZINC000092044582 193145522 /nfs/dbraw/zinc/14/55/22/193145522.db2.gz YEOIJWJLDKKSIF-JTQLQIEISA-N 0 0 322.459 3.449 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000451338871 241089595 /nfs/dbraw/zinc/08/95/95/241089595.db2.gz IKGKANGAYQNDSH-DZGCQCFKSA-N 0 0 311.360 3.102 10 30 DGEERN N#CC1CCC(CNS(=O)(=O)c2sccc2Cl)CC1 ZINC000451496939 241145388 /nfs/dbraw/zinc/14/53/88/241145388.db2.gz CEQFOXLORYEIMA-UHFFFAOYSA-N 0 0 318.851 3.010 10 30 DGEERN C=CCCCS(=O)(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000451588467 241182677 /nfs/dbraw/zinc/18/26/77/241182677.db2.gz FPZIUFZYGWNQIP-HNNXBMFYSA-N 0 0 315.385 3.228 10 30 DGEERN C=CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000452058642 241308775 /nfs/dbraw/zinc/30/87/75/241308775.db2.gz YEHRGBSFQCEBNP-CQSZACIVSA-N 0 0 301.358 3.008 10 30 DGEERN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(C#N)cn1C ZINC000081002105 283907570 /nfs/dbraw/zinc/90/75/70/283907570.db2.gz QSMGSENWOQWBMV-SNVBAGLBSA-N 0 0 303.312 3.008 10 30 DGEERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C#N)cn1C ZINC000081031938 283908610 /nfs/dbraw/zinc/90/86/10/283908610.db2.gz DQSXUXDMFJIVKF-UHFFFAOYSA-N 0 0 321.302 3.188 10 30 DGEERN Cc1c(Br)cccc1NC(=O)c1cc(C#N)cn1C ZINC000081081808 283909794 /nfs/dbraw/zinc/90/97/94/283909794.db2.gz OYJYPQNAKHZKFN-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000452486682 241430152 /nfs/dbraw/zinc/43/01/52/241430152.db2.gz QNUORNUBLKAKBM-APWZRJJASA-N 0 0 317.404 3.059 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000452350169 241391917 /nfs/dbraw/zinc/39/19/17/241391917.db2.gz CNUFPSLEXNYFRN-UHFFFAOYSA-N 0 0 313.401 3.222 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000081153686 283910733 /nfs/dbraw/zinc/91/07/33/283910733.db2.gz FCLPTIRGPLIMFL-UHFFFAOYSA-N 0 0 302.337 3.211 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1NCC(F)(F)F ZINC000081726835 283925709 /nfs/dbraw/zinc/92/57/09/283925709.db2.gz OOHILXWGNNMSBE-UHFFFAOYSA-N 0 0 322.290 3.123 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC1(C2(C)CC2)CC1 ZINC000454023382 241861230 /nfs/dbraw/zinc/86/12/30/241861230.db2.gz ZNWGLNHXEAIQES-UHFFFAOYSA-N 0 0 312.413 3.193 10 30 DGEERN C=C(C)CCNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000454884431 242056242 /nfs/dbraw/zinc/05/62/42/242056242.db2.gz CSXKTDRTSRILHM-OLZOCXBDSA-N 0 0 310.344 3.409 10 30 DGEERN Cc1ccc(F)c(CCNC(=O)NCC2CCC(C#N)CC2)c1 ZINC000454914494 242063436 /nfs/dbraw/zinc/06/34/36/242063436.db2.gz OFPHDOCTGYCRLN-UHFFFAOYSA-N 0 0 317.408 3.306 10 30 DGEERN C=CCC1(NC(=O)Nc2cc(CCOC)nn2C)CCCCC1 ZINC000454995086 242084311 /nfs/dbraw/zinc/08/43/11/242084311.db2.gz RZOVAJDRJPOFFJ-UHFFFAOYSA-N 0 0 320.437 3.010 10 30 DGEERN C=CCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246243297 432112015 /nfs/dbraw/zinc/11/20/15/432112015.db2.gz OHOFZSWVADRIST-HZMVEIRTSA-N 0 0 313.507 3.124 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000454708451 242015317 /nfs/dbraw/zinc/01/53/17/242015317.db2.gz AQDIUYUJSKVMIW-INIZCTEOSA-N 0 0 324.371 3.234 10 30 DGEERN C=C(C)CCNC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000455311214 242165452 /nfs/dbraw/zinc/16/54/52/242165452.db2.gz NLOCQHXLIDIFQY-LBPRGKRZSA-N 0 0 311.451 3.348 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](CCCO)C1 ZINC000455391305 242187425 /nfs/dbraw/zinc/18/74/25/242187425.db2.gz ZBYADLILJIBWHH-OAHLLOKOSA-N 0 0 302.418 3.432 10 30 DGEERN C=CCC1(CNC(=O)N[C@H](CO)c2ccsc2)CCCC1 ZINC000455472189 242210440 /nfs/dbraw/zinc/21/04/40/242210440.db2.gz DEXDDICSLIMPHF-CQSZACIVSA-N 0 0 308.447 3.217 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000455519431 242224896 /nfs/dbraw/zinc/22/48/96/242224896.db2.gz IBJGKWHOYJFCQD-CQSZACIVSA-N 0 0 302.374 3.228 10 30 DGEERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455907250 242308538 /nfs/dbraw/zinc/30/85/38/242308538.db2.gz PFORXBYWIVXQPN-KRWDZBQOSA-N 0 0 323.400 3.245 10 30 DGEERN C=CCC1(CNC(=O)c2ccc(CNC(C)=O)s2)CCCC1 ZINC000456481061 242467736 /nfs/dbraw/zinc/46/77/36/242467736.db2.gz AIOMIPMRNYZLDK-UHFFFAOYSA-N 0 0 320.458 3.251 10 30 DGEERN CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000462623155 283993942 /nfs/dbraw/zinc/99/39/42/283993942.db2.gz YEHPTGLUOMBDDO-LRDDRELGSA-N 0 0 324.421 3.287 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000457505418 242786329 /nfs/dbraw/zinc/78/63/29/242786329.db2.gz NVMJQBDNAGMMDF-JKSUJKDBSA-N 0 0 322.836 3.417 10 30 DGEERN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1sccc1C#N ZINC000458267252 243013324 /nfs/dbraw/zinc/01/33/24/243013324.db2.gz HMJDOSBBXPSABW-NSHDSACASA-N 0 0 302.374 3.462 10 30 DGEERN C=C(C)COCCNC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000458553755 243087668 /nfs/dbraw/zinc/08/76/68/243087668.db2.gz DNJGPVJCFXQBJM-UHFFFAOYSA-N 0 0 308.809 3.042 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@H](CO)[C@H]1CC)c1ccccc1 ZINC000458573663 243094473 /nfs/dbraw/zinc/09/44/73/243094473.db2.gz MIAMIFAQWWNWBM-FGTMMUONSA-N 0 0 316.445 3.496 10 30 DGEERN CN(CC(C)(C)C#N)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000458593882 243099489 /nfs/dbraw/zinc/09/94/89/243099489.db2.gz NOMYKNBXCDHGEZ-UHFFFAOYSA-N 0 0 323.824 3.048 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(=C)CC ZINC000459075950 243244966 /nfs/dbraw/zinc/24/49/66/243244966.db2.gz MARCJRDAMLVANV-UHFFFAOYSA-N 0 0 303.362 3.259 10 30 DGEERN Cc1cc(C)cc(NS(=O)(=O)Cc2ccccc2C#N)c1 ZINC000007323390 181454713 /nfs/dbraw/zinc/45/47/13/181454713.db2.gz XBHMBZJWHQMPFW-UHFFFAOYSA-N 0 0 300.383 3.117 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000467917466 244010762 /nfs/dbraw/zinc/01/07/62/244010762.db2.gz BEHPGKANDZVORR-KRWDZBQOSA-N 0 0 313.357 3.414 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000171280331 432119530 /nfs/dbraw/zinc/11/95/30/432119530.db2.gz YWLBKZNREDCRRO-UHFFFAOYSA-N 0 0 305.683 3.100 10 30 DGEERN C=CCCCCNC(=O)C(=O)c1ccc(Br)cc1 ZINC000471702505 244234512 /nfs/dbraw/zinc/23/45/12/244234512.db2.gz OLXZRYBHXZYEQW-UHFFFAOYSA-N 0 0 310.191 3.104 10 30 DGEERN C=CCCCCNC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000471714031 244236605 /nfs/dbraw/zinc/23/66/05/244236605.db2.gz IDHZWKLHEYTJKS-GOSISDBHSA-N 0 0 317.429 3.396 10 30 DGEERN C[C@H]1CCc2c(sc(=O)n2Cc2ccc(C#N)c(F)c2)C1 ZINC000190084243 432120345 /nfs/dbraw/zinc/12/03/45/432120345.db2.gz QPKVCRXPXWDRPB-JTQLQIEISA-N 0 0 302.374 3.094 10 30 DGEERN COCCC1(CNC(=O)N2CCC(C)(C#N)CC2)CCCCC1 ZINC000478023731 244600355 /nfs/dbraw/zinc/60/03/55/244600355.db2.gz JZBVYNHKCXAMNA-UHFFFAOYSA-N 0 0 321.465 3.309 10 30 DGEERN Cc1cccc(N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)c1C ZINC000485096242 244915623 /nfs/dbraw/zinc/91/56/23/244915623.db2.gz AQIVUIYUDXBUPX-UHFFFAOYSA-N 0 0 318.373 3.139 10 30 DGEERN C=CCCCS(=O)(=O)N(C)Cc1cc(Cl)ccc1F ZINC000489793015 245348777 /nfs/dbraw/zinc/34/87/77/245348777.db2.gz BUIPZXOSIKGGGL-UHFFFAOYSA-N 0 0 305.802 3.207 10 30 DGEERN C=CCSCCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000489972232 245366204 /nfs/dbraw/zinc/36/62/04/245366204.db2.gz NRAVVUBKTCBXPD-UHFFFAOYSA-N 0 0 315.442 3.343 10 30 DGEERN C=CCN1C(=O)C2(OCCCO2)c2ccc(Cl)c(Cl)c21 ZINC000008046752 181522593 /nfs/dbraw/zinc/52/25/93/181522593.db2.gz KVUDMDMNYGISOL-UHFFFAOYSA-N 0 0 314.168 3.116 10 30 DGEERN O=C1CCCC2=C1Cn1nc(SCc3ccccc3)nc1N2 ZINC000008517181 181561801 /nfs/dbraw/zinc/56/18/01/181561801.db2.gz NYULGVAQFBCPDT-UHFFFAOYSA-N 0 0 312.398 3.003 10 30 DGEERN C=C(C)CNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000490040265 245376815 /nfs/dbraw/zinc/37/68/15/245376815.db2.gz DNZZMPWTTSFPQA-UHFFFAOYSA-N 0 0 308.428 3.329 10 30 DGEERN C=C(C)CN1c2ccc(NC(=O)C(CC)CC)cc2OCC1=O ZINC000012118958 181730411 /nfs/dbraw/zinc/73/04/11/181730411.db2.gz UEYQDLOBMPTSKE-UHFFFAOYSA-N 0 0 316.401 3.363 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)Oc1ccccc1F ZINC000125968816 284289635 /nfs/dbraw/zinc/28/96/35/284289635.db2.gz MLRALFBPKLTPQU-ZDUSSCGKSA-N 0 0 312.344 3.203 10 30 DGEERN Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H](C)O)CC3)c2c1 ZINC000266372954 205299892 /nfs/dbraw/zinc/29/98/92/205299892.db2.gz LXCIVXBFFYUISH-CQSZACIVSA-N 0 0 309.413 3.321 10 30 DGEERN C=C(Cl)CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000266464247 205365745 /nfs/dbraw/zinc/36/57/45/205365745.db2.gz FBNXBYNKGDNKTH-SMDDNHRTSA-N 0 0 312.772 3.050 10 30 DGEERN CCCOC1(NC(=O)c2cccc(C)c2)C(C)=CC(=O)C=C1C ZINC000016807556 182061116 /nfs/dbraw/zinc/06/11/16/182061116.db2.gz WRDHEYOUJKYVID-UHFFFAOYSA-N 0 0 313.397 3.323 10 30 DGEERN Cc1csc([C@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 ZINC000171382606 432129264 /nfs/dbraw/zinc/12/92/64/432129264.db2.gz NOSYNXUPTUPNFI-OAHLLOKOSA-N 0 0 317.389 3.036 10 30 DGEERN CCN1C(=O)/C(=C/c2ccc[nH]2)S/C1=N\c1ccc(O)cc1 ZINC000016904369 182063668 /nfs/dbraw/zinc/06/36/68/182063668.db2.gz LTEQLYAEBWOWKC-FEGCFHEDSA-N 0 0 313.382 3.344 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246436854 432130380 /nfs/dbraw/zinc/13/03/80/432130380.db2.gz CXSAIVOYNQLQHI-ZTFGCOKTSA-N 0 0 315.392 3.157 10 30 DGEERN N/C(=N\O)c1ccc(OCc2ccccc2Br)cc1 ZINC000019424968 182122408 /nfs/dbraw/zinc/12/24/08/182122408.db2.gz JYJYLJSEUHRNDX-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN N/C(=N\O)c1cccc(COc2cccc(Br)c2)c1 ZINC000019432181 182123094 /nfs/dbraw/zinc/12/30/94/182123094.db2.gz QMVBVQNKBLDQIK-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN N#Cc1cccnc1Nc1cccc(I)c1 ZINC000020305704 182204941 /nfs/dbraw/zinc/20/49/41/182204941.db2.gz ZBGWKSYCIKJUOR-UHFFFAOYSA-N 0 0 321.121 3.301 10 30 DGEERN COc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000030109628 182584058 /nfs/dbraw/zinc/58/40/58/182584058.db2.gz PICPBNZWOCUPTB-NSHDSACASA-N 0 0 314.316 3.112 10 30 DGEERN Cc1ccn(-c2ccccc2CNC(=O)c2sccc2C#N)n1 ZINC000152101706 284600748 /nfs/dbraw/zinc/60/07/48/284600748.db2.gz MRNOKVPZVAPZQD-UHFFFAOYSA-N 0 0 322.393 3.044 10 30 DGEERN N#Cc1ccccc1Sc1ccc(C(=O)N2CCCO2)cc1 ZINC000152628248 284632435 /nfs/dbraw/zinc/63/24/35/284632435.db2.gz JNRXYRSOOBBQRD-UHFFFAOYSA-N 0 0 310.378 3.487 10 30 DGEERN C=C(C)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 ZINC000040181078 183045059 /nfs/dbraw/zinc/04/50/59/183045059.db2.gz ZGFSDOMODLRXHY-UHFFFAOYSA-N 0 0 320.396 3.280 10 30 DGEERN C=CCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 ZINC000040275875 183050876 /nfs/dbraw/zinc/05/08/76/183050876.db2.gz JPHCRUZZRHNEPF-UHFFFAOYSA-N 0 0 305.381 3.461 10 30 DGEERN COc1ccc2nc(NC3=NC(=N)c4ccccc43)sc2c1 ZINC000040802652 183136202 /nfs/dbraw/zinc/13/62/02/183136202.db2.gz BZRGDKSZODYIPM-UHFFFAOYSA-N 0 0 308.366 3.102 10 30 DGEERN Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000041454046 183191893 /nfs/dbraw/zinc/19/18/93/183191893.db2.gz HWDBJEKZFJURRI-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN N#Cc1ccccc1OCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153276530 284664663 /nfs/dbraw/zinc/66/46/63/284664663.db2.gz UEHADQOLDXRQQL-QGZVFWFLSA-N 0 0 324.355 3.270 10 30 DGEERN COc1ccc(COc2cccc(-n3cccn3)c2)cc1C#N ZINC000153361652 284668050 /nfs/dbraw/zinc/66/80/50/284668050.db2.gz IPBAQDGTFZPPKU-UHFFFAOYSA-N 0 0 305.337 3.332 10 30 DGEERN O=S1(=O)CC[C@H](/N=C\c2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000102574809 193898507 /nfs/dbraw/zinc/89/85/07/193898507.db2.gz AEJWUFJLTIIKGH-OLWAXZHHSA-N 0 0 323.801 3.206 10 30 DGEERN CCOc1cc(C#N)ccc1OCc1nc(-c2ccoc2)no1 ZINC000105572431 194111873 /nfs/dbraw/zinc/11/18/73/194111873.db2.gz ODQSVTRYWXOALT-UHFFFAOYSA-N 0 0 311.297 3.179 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000106505190 194220658 /nfs/dbraw/zinc/22/06/58/194220658.db2.gz BGUMZMMYXXCWHE-MRXNPFEDSA-N 0 0 301.390 3.371 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1cccc(C#N)c1 ZINC000106528917 194225469 /nfs/dbraw/zinc/22/54/69/194225469.db2.gz UGKVFAIRTMFFCD-QGZVFWFLSA-N 0 0 315.417 3.049 10 30 DGEERN S=C1N=NC(COc2ccccc2)N1N=C1CCCCC1 ZINC000048513424 183662834 /nfs/dbraw/zinc/66/28/34/183662834.db2.gz PBJQIFSWAXELHW-UHFFFAOYSA-N 0 0 302.403 3.314 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000273444744 210779773 /nfs/dbraw/zinc/77/97/73/210779773.db2.gz ZPRZPBMJPOVDDM-QMMMGPOBSA-N 0 0 319.188 3.061 10 30 DGEERN N#Cc1ncccc1COc1ccc(F)cc1Br ZINC000061659174 184181413 /nfs/dbraw/zinc/18/14/13/184181413.db2.gz PIKDMBBKHNTXPM-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN CCCn1cc(Br)cc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061890803 184193041 /nfs/dbraw/zinc/19/30/41/184193041.db2.gz JKHHAAULZAFDRG-PWSUYJOCSA-N 0 0 324.222 3.083 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CSc2ccccc21 ZINC000118214949 194877934 /nfs/dbraw/zinc/87/79/34/194877934.db2.gz VPDUGHKPHYPOTH-LLVKDONJSA-N 0 0 301.333 3.453 10 30 DGEERN CO[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@H]1C ZINC000249007247 285045518 /nfs/dbraw/zinc/04/55/18/285045518.db2.gz JEOOTPBIUNTGOG-IAQYHMDHSA-N 0 0 323.234 3.178 10 30 DGEERN CSc1ccccc1S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000443230655 533052941 /nfs/dbraw/zinc/05/29/41/533052941.db2.gz YPANPSOZZBRSBR-UHFFFAOYSA-N 0 0 324.471 3.017 10 30 DGEERN Cc1nccn1CCCN(C)c1cc(C#N)nc2ccccc21 ZINC000120229670 195123505 /nfs/dbraw/zinc/12/35/05/195123505.db2.gz CRSBSVREDAYXDS-UHFFFAOYSA-N 0 0 305.385 3.138 10 30 DGEERN N#Cc1c(CN2CCO[C@H](c3cccs3)C2)cn2ccccc12 ZINC000157621099 197202689 /nfs/dbraw/zinc/20/26/89/197202689.db2.gz OMMCRRVMIGCCTC-KRWDZBQOSA-N 0 0 323.421 3.446 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cscc1C#N)CC2 ZINC000343740901 254183118 /nfs/dbraw/zinc/18/31/18/254183118.db2.gz VGQCVSBYZWRWHP-UHFFFAOYSA-N 0 0 324.405 3.063 10 30 DGEERN Fc1ccc(C#CCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000156979563 197154140 /nfs/dbraw/zinc/15/41/40/197154140.db2.gz GAGJIPYGJQVGDA-MRXNPFEDSA-N 0 0 301.386 3.312 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000156647708 197130784 /nfs/dbraw/zinc/13/07/84/197130784.db2.gz VVUHYNIADFFVEG-AWEZNQCLSA-N 0 0 300.402 3.302 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000156647841 197129718 /nfs/dbraw/zinc/12/97/18/197129718.db2.gz VVUHYNIADFFVEG-CQSZACIVSA-N 0 0 300.402 3.302 10 30 DGEERN Cc1oc(-c2ccccc2)nc1CC(=O)NC1(C#N)CCCC1 ZINC000120399505 195158586 /nfs/dbraw/zinc/15/85/86/195158586.db2.gz GVHNDHOHCAWGSM-UHFFFAOYSA-N 0 0 309.369 3.145 10 30 DGEERN C#CCCCC(=O)O[C@H]1CCc2cc(Br)cnc21 ZINC000288880702 335058808 /nfs/dbraw/zinc/05/88/08/335058808.db2.gz RMZSFDTZFHNFPX-LBPRGKRZSA-N 0 0 308.175 3.178 10 30 DGEERN C=CCOC[C@@H]1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000503719103 257208707 /nfs/dbraw/zinc/20/87/07/257208707.db2.gz XVNCDTMQCTXAGO-OKZBNKHCSA-N 0 0 305.393 3.150 10 30 DGEERN C=C(Br)CN[C@H](C)c1cc(OC)ccc1OC ZINC000125017382 195703961 /nfs/dbraw/zinc/70/39/61/195703961.db2.gz FUGJXOLBFJECGL-SNVBAGLBSA-N 0 0 300.196 3.263 10 30 DGEERN CCN(C(=O)c1cnn2c1CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000126168917 195816726 /nfs/dbraw/zinc/81/67/26/195816726.db2.gz YNDXBQPMZZKIOK-CQSZACIVSA-N 0 0 322.412 3.314 10 30 DGEERN COc1ccc(C)cc1CCNC(=O)c1ccc(C#N)cc1C ZINC000159842894 533383115 /nfs/dbraw/zinc/38/31/15/533383115.db2.gz KTEDNABBLUZRDN-UHFFFAOYSA-N 0 0 308.381 3.156 10 30 DGEERN COc1ccc(CCC(=O)Nc2cc(C#N)ccn2)cc1Cl ZINC000436005763 533462014 /nfs/dbraw/zinc/46/20/14/533462014.db2.gz HOJVPFJJAMZBMF-UHFFFAOYSA-N 0 0 315.760 3.187 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)C(C)(F)F ZINC000451697263 533508187 /nfs/dbraw/zinc/50/81/87/533508187.db2.gz VUIPVLWDOHBBOE-UHFFFAOYSA-N 0 0 315.360 3.358 10 30 DGEERN COc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(Cl)c1O ZINC000408399288 533516229 /nfs/dbraw/zinc/51/62/29/533516229.db2.gz GKPHBAIGWPVPOV-CYBMUJFWSA-N 0 0 322.792 3.209 10 30 DGEERN COc1cccc(N2CC[C@@H](CNc3ccc(C)c(C#N)n3)C2)c1 ZINC000302638022 533580820 /nfs/dbraw/zinc/58/08/20/533580820.db2.gz KPNPKFFEHGEXKR-HNNXBMFYSA-N 0 0 322.412 3.209 10 30 DGEERN c1ccc([C@H]2C/C(=N\N3CCOCC3)c3ccccc3O2)cc1 ZINC000005446535 285492614 /nfs/dbraw/zinc/49/26/14/285492614.db2.gz ZJDMLNNDJAWQMT-WENBPLFZSA-N 0 0 308.381 3.247 10 30 DGEERN CC(=O)c1ccc(C#N)c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295678641 131915587 /nfs/dbraw/zinc/91/55/87/131915587.db2.gz GWNMXXCLDVAPCX-IEBWSBKVSA-N 0 0 321.380 3.488 10 30 DGEERN N#Cc1ccc(CSCC(=O)N2CCOc3ccccc32)cc1 ZINC000078869438 134405597 /nfs/dbraw/zinc/40/55/97/134405597.db2.gz NCOBXSLWQQLLMX-UHFFFAOYSA-N 0 0 324.405 3.217 10 30 DGEERN C=C(CC)CNC(=O)Cc1cscc1C(=O)NCC(=C)CC ZINC000616114454 400085908 /nfs/dbraw/zinc/08/59/08/400085908.db2.gz AIAVJHHCEWBEEQ-UHFFFAOYSA-N 0 0 320.458 3.069 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000584665460 400087512 /nfs/dbraw/zinc/08/75/12/400087512.db2.gz NIQIHLCPYBKWLG-MRXNPFEDSA-N 0 0 316.445 3.111 10 30 DGEERN CC(=O)/C=C(\C)N/N=C(/C(=O)c1ccccc1)c1ccccc1 ZINC000006157459 400091191 /nfs/dbraw/zinc/09/11/91/400091191.db2.gz DVJWFZCQSNEZRD-OQIURNAJSA-N 0 0 306.365 3.356 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CCC)CC1CC1 ZINC000584748339 400097881 /nfs/dbraw/zinc/09/78/81/400097881.db2.gz KDUNLRIWZAYUCJ-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@H](OCCC)CC2)cc1 ZINC000297459482 400099298 /nfs/dbraw/zinc/09/92/98/400099298.db2.gz CGCGRALKYRCSTI-SFHVURJKSA-N 0 0 314.429 3.159 10 30 DGEERN C[C@H](C#N)Nc1cc(I)ccc1Cl ZINC000300921486 400100171 /nfs/dbraw/zinc/10/01/71/400100171.db2.gz GYSURNHLMNWPLJ-ZCFIWIBFSA-N 0 0 306.534 3.269 10 30 DGEERN C#C[C@@H](C)Nc1cc(I)ccc1Cl ZINC000300881175 400100228 /nfs/dbraw/zinc/10/02/28/400100228.db2.gz ACNNULFOXQCTHG-SSDOTTSWSA-N 0 0 305.546 3.378 10 30 DGEERN COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)C1(C#N)CCC1 ZINC000066321362 400079116 /nfs/dbraw/zinc/07/91/16/400079116.db2.gz ZEHOXDNDIAJSBM-HNNXBMFYSA-N 0 0 312.413 3.410 10 30 DGEERN C=CCCCCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000581439153 400079571 /nfs/dbraw/zinc/07/95/71/400079571.db2.gz KZTGCQCCRSODAH-ZDUSSCGKSA-N 0 0 322.836 3.321 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC[C@H]1CC ZINC000581667074 400082304 /nfs/dbraw/zinc/08/23/04/400082304.db2.gz OIQLSXVBKCCSPY-GFCCVEGCSA-N 0 0 303.435 3.275 10 30 DGEERN C[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccncc1 ZINC000587992484 400177462 /nfs/dbraw/zinc/17/74/62/400177462.db2.gz NYNJAOIRCINCTN-NSHDSACASA-N 0 0 311.776 3.470 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)C1(C#N)CCOCC1 ZINC000328627984 400182659 /nfs/dbraw/zinc/18/26/59/400182659.db2.gz NGPGGVCMVFMTHI-LBPRGKRZSA-N 0 0 319.430 3.148 10 30 DGEERN C=CCNC(=O)[C@@H](C)SCc1coc(-c2ccccc2F)n1 ZINC000600652363 400123568 /nfs/dbraw/zinc/12/35/68/400123568.db2.gz QQJSPLVUJPBWQJ-LLVKDONJSA-N 0 0 320.389 3.405 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1CCOc1ccccc1C#N ZINC000066851463 400124169 /nfs/dbraw/zinc/12/41/69/400124169.db2.gz GHTJJZMOKHYZKI-UZLBHIALSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1CCOc1ccccc1C#N ZINC000066851464 400124522 /nfs/dbraw/zinc/12/45/22/400124522.db2.gz GHTJJZMOKHYZKI-JXFKEZNVSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@@H]1C[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609070600 400137513 /nfs/dbraw/zinc/13/75/13/400137513.db2.gz JOMLGWASLLDWQX-TZMCWYRMSA-N 0 0 310.353 3.116 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000616409519 400142489 /nfs/dbraw/zinc/14/24/89/400142489.db2.gz RMMQUXUOFVAWIE-OKYOBFRVSA-N 0 0 313.441 3.353 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C(F)(F)F)CCCCC1 ZINC000616409514 400142638 /nfs/dbraw/zinc/14/26/38/400142638.db2.gz RLPMXGLDWSNGNS-RYUDHWBXSA-N 0 0 305.340 3.207 10 30 DGEERN Cc1ccccc1NCCC(=O)NCc1ccc(C#N)cc1F ZINC000609231764 400152583 /nfs/dbraw/zinc/15/25/83/400152583.db2.gz MDRVGMNDFVDYQD-UHFFFAOYSA-N 0 0 311.360 3.124 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCc2c(CC#N)cccc2C1)OCC ZINC000600786772 400152840 /nfs/dbraw/zinc/15/28/40/400152840.db2.gz SNLAZYWUHVEIMK-GOSISDBHSA-N 0 0 312.413 3.009 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC000586774741 400153371 /nfs/dbraw/zinc/15/33/71/400153371.db2.gz CFYUIZRIUDSEQM-UHFFFAOYSA-N 0 0 313.719 3.152 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1Cl ZINC000015361585 400164505 /nfs/dbraw/zinc/16/45/05/400164505.db2.gz ZFHZKTXPESQSCI-GFCCVEGCSA-N 0 0 314.772 3.295 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1O ZINC000588099339 400188300 /nfs/dbraw/zinc/18/83/00/400188300.db2.gz QDWHACNORKAABZ-VIFPVBQESA-N 0 0 311.765 3.373 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068032539 400225969 /nfs/dbraw/zinc/22/59/69/400225969.db2.gz ZRHCFGNZWOMQPZ-ITMUERHQSA-N 0 0 324.424 3.363 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000610353125 400248450 /nfs/dbraw/zinc/24/84/50/400248450.db2.gz WPTGBRYUXIMMML-WBVHZDCISA-N 0 0 315.392 3.465 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc(C3(CF)CCC3)n2)c1 ZINC000351340591 400248926 /nfs/dbraw/zinc/24/89/26/400248926.db2.gz HYTXIFWRRSFXPP-UHFFFAOYSA-N 0 0 315.348 3.044 10 30 DGEERN C[C@H](NC(=O)c1coc(Br)c1)c1ccc(C#N)cc1 ZINC000026133478 400252773 /nfs/dbraw/zinc/25/27/73/400252773.db2.gz JMPPBZSRYXPXSO-VIFPVBQESA-N 0 0 319.158 3.405 10 30 DGEERN CC(C)(C)OC(=O)N1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616648807 400192647 /nfs/dbraw/zinc/19/26/47/400192647.db2.gz YFVUGOFECXRGPB-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2cnc(OCC(F)F)cn2)no1 ZINC000349634085 400202064 /nfs/dbraw/zinc/20/20/64/400202064.db2.gz NVEITLYRAYJSLB-VIFPVBQESA-N 0 0 310.304 3.240 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000350074572 400209247 /nfs/dbraw/zinc/20/92/47/400209247.db2.gz QLFNAHCKDYZRDV-KRWDZBQOSA-N 0 0 312.373 3.104 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC000350064601 400209534 /nfs/dbraw/zinc/20/95/34/400209534.db2.gz KXWRBMZGCVQVMQ-KRWDZBQOSA-N 0 0 312.373 3.104 10 30 DGEERN C=CCCn1cc(CS[C@@H](C(=O)OC(C)(C)C)C2CC2)nn1 ZINC000601057666 400217093 /nfs/dbraw/zinc/21/70/93/400217093.db2.gz YGHRFMXMAJHXMM-CQSZACIVSA-N 0 0 323.462 3.208 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000610498276 400264649 /nfs/dbraw/zinc/26/46/49/400264649.db2.gz SFEJVMLVIOZFTR-OWSLCNJRSA-N 0 0 312.413 3.271 10 30 DGEERN N#CCn1c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc2ccccc21 ZINC000610548871 400275348 /nfs/dbraw/zinc/27/53/48/400275348.db2.gz YIMGYENYYWJQHM-HZPDHXFCSA-N 0 0 307.397 3.427 10 30 DGEERN N#Cc1cc(COc2ccc(Br)cc2F)ccn1 ZINC000068768027 400285522 /nfs/dbraw/zinc/28/55/22/400285522.db2.gz LAXGNAARLBMRJF-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NC(N)=O)c1 ZINC000617034777 400286666 /nfs/dbraw/zinc/28/66/66/400286666.db2.gz DHUFHYCIYQOYMY-IUODEOHRSA-N 0 0 301.390 3.042 10 30 DGEERN C#C[C@@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)c4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000097974961 400287785 /nfs/dbraw/zinc/28/77/85/400287785.db2.gz XFBUZQAUNLRYCT-UQVZDDLFSA-N 0 0 312.409 3.104 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CN1CCCCCCC1=O ZINC000617036432 400287864 /nfs/dbraw/zinc/28/78/64/400287864.db2.gz ATDOBPKCRBWCGU-JKSUJKDBSA-N 0 0 306.450 3.030 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000617037717 400287972 /nfs/dbraw/zinc/28/79/72/400287972.db2.gz PXIACMAQUONDPE-WCQYABFASA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000617036663 400288270 /nfs/dbraw/zinc/28/82/70/400288270.db2.gz CPZIMGXTXXVWEK-DZGCQCFKSA-N 0 0 317.433 3.072 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000617038578 400288792 /nfs/dbraw/zinc/28/87/92/400288792.db2.gz ZBPOOTAUWCQODY-INMHGKMJSA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cccnc2)c1 ZINC000617039649 400289336 /nfs/dbraw/zinc/28/93/36/400289336.db2.gz JSDPMWMJLNHMPJ-YOEHRIQHSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000617039742 400289351 /nfs/dbraw/zinc/28/93/51/400289351.db2.gz LEXRKBASVXMRCD-AAEUAGOBSA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)CCC)C1 ZINC000617037996 400289389 /nfs/dbraw/zinc/28/93/89/400289389.db2.gz UCJCMYSHXGZLGY-IKGGRYGDSA-N 0 0 320.477 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC000617040213 400290034 /nfs/dbraw/zinc/29/00/34/400290034.db2.gz QVCJCAWFNYZVRV-VNQPRFMTSA-N 0 0 312.413 3.364 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000617040405 400290117 /nfs/dbraw/zinc/29/01/17/400290117.db2.gz UBVKEZGSLAOQDN-INMHGKMJSA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000617041574 400290330 /nfs/dbraw/zinc/29/03/30/400290330.db2.gz FZERVEYEGLBVSP-RDTXWAMCSA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000617043039 400290865 /nfs/dbraw/zinc/29/08/65/400290865.db2.gz YTSORAPSDHBCAL-RRFJBIMHSA-N 0 0 308.466 3.178 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCC(OCCOC)CC1 ZINC000617042526 400291111 /nfs/dbraw/zinc/29/11/11/400291111.db2.gz SINPAZCFMGFLPN-FCCDEINASA-N 0 0 323.477 3.459 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000617042474 400291312 /nfs/dbraw/zinc/29/13/12/400291312.db2.gz RXAYOMAWKNVUSA-YPMHNXCESA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1ccccn1 ZINC000617042912 400291457 /nfs/dbraw/zinc/29/14/57/400291457.db2.gz XCUZXZVMJCTJPB-GJZGRUSLSA-N 0 0 300.402 3.296 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c(=O)n1C ZINC000617043899 400291717 /nfs/dbraw/zinc/29/17/17/400291717.db2.gz GMDFTTZTIYHBPY-RHSMWYFYSA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(CN2CCCC2)on1 ZINC000617044656 400292052 /nfs/dbraw/zinc/29/20/52/400292052.db2.gz QIZYEUCFNAIDBT-GDBMZVCRSA-N 0 0 317.433 3.135 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000617043949 400292144 /nfs/dbraw/zinc/29/21/44/400292144.db2.gz HANYRJPMHCRDFS-FUHWJXTLSA-N 0 0 324.428 3.061 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(OC)c1 ZINC000617044395 400292260 /nfs/dbraw/zinc/29/22/60/400292260.db2.gz MYGLGHJDRQRDGH-LSDHHAIUSA-N 0 0 303.402 3.194 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000029201968 400301560 /nfs/dbraw/zinc/30/15/60/400301560.db2.gz OTWIVYYBPIQRCU-UHFFFAOYSA-N 0 0 309.369 3.175 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000601568456 400310525 /nfs/dbraw/zinc/31/05/25/400310525.db2.gz RJWSUOKIIAUTOI-ZDUSSCGKSA-N 0 0 300.374 3.055 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601591169 400313147 /nfs/dbraw/zinc/31/31/47/400313147.db2.gz FDXYGNAUBCEQER-UHFFFAOYSA-N 0 0 313.357 3.091 10 30 DGEERN C=CCN(C(=O)CCCC1CC1)c1nc(C(=O)OCC)cs1 ZINC000589759708 400326096 /nfs/dbraw/zinc/32/60/96/400326096.db2.gz ZFJRSKKJWRDHAT-UHFFFAOYSA-N 0 0 322.430 3.419 10 30 DGEERN C=CCOCCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000385406154 400262358 /nfs/dbraw/zinc/26/23/58/400262358.db2.gz AFNPBHCWUVRVSB-UHFFFAOYSA-N 0 0 315.167 3.280 10 30 DGEERN C/C(=N\NC(=S)N(CC(C)C)CC(C)C)c1ccccn1 ZINC000033844494 400383701 /nfs/dbraw/zinc/38/37/01/400383701.db2.gz ANRNNPONPHJKJJ-NBVRZTHBSA-N 0 0 306.479 3.294 10 30 DGEERN C=CCCC1(CNC(=O)c2ccc(C(N)=O)s2)CCCC1 ZINC000617416567 400384049 /nfs/dbraw/zinc/38/40/49/400384049.db2.gz WNYLIWFUPOUUCH-UHFFFAOYSA-N 0 0 306.431 3.103 10 30 DGEERN C=CCCC1(CNC(=O)CCc2ccnc(C)n2)CCCC1 ZINC000617417785 400385421 /nfs/dbraw/zinc/38/54/21/400385421.db2.gz GTTSKQYQUAHBQF-UHFFFAOYSA-N 0 0 301.434 3.360 10 30 DGEERN C=CCCC1(CNC(=O)c2cnn(C)c2SC)CCCC1 ZINC000617417973 400385575 /nfs/dbraw/zinc/38/55/75/400385575.db2.gz ODBUCBVWOKTMDV-UHFFFAOYSA-N 0 0 307.463 3.398 10 30 DGEERN N#Cc1nn([C@@H]2CCCCO2)c2ccc(Br)cc12 ZINC000114334934 400386610 /nfs/dbraw/zinc/38/66/10/400386610.db2.gz YYONHQDVCASUEJ-ZDUSSCGKSA-N 0 0 306.163 3.370 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)c1ccccc1 ZINC000617444563 400387939 /nfs/dbraw/zinc/38/79/39/400387939.db2.gz HRKLTTKAQJXBPX-BPUTZDHNSA-N 0 0 310.401 3.150 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](C(=O)[O-])C(C)(C)CC)cc1OC ZINC000578323808 400327708 /nfs/dbraw/zinc/32/77/08/400327708.db2.gz XJWWVOIHWSXBEJ-MRXNPFEDSA-N 0 0 321.417 3.239 10 30 DGEERN N#Cc1cccc(C2(NC(=O)Nc3ccc4nccn4c3)CC2)c1 ZINC000610973417 400331393 /nfs/dbraw/zinc/33/13/93/400331393.db2.gz QJNYZDIYOHXWFO-UHFFFAOYSA-N 0 0 317.352 3.017 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)NCCc1ccc(C#N)cc1 ZINC000617244124 400335080 /nfs/dbraw/zinc/33/50/80/400335080.db2.gz NJWYIEIVFSEOMM-CQSZACIVSA-N 0 0 300.402 3.002 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000579255473 400336896 /nfs/dbraw/zinc/33/68/96/400336896.db2.gz HDOWGBNLMWTIKD-UHFFFAOYSA-N 0 0 318.417 3.394 10 30 DGEERN C=CCC1(C(=O)Nc2ncn(C3CCCCC3)n2)CCOCC1 ZINC000579345469 400337919 /nfs/dbraw/zinc/33/79/19/400337919.db2.gz FWKMIBKGWBDOEV-UHFFFAOYSA-N 0 0 318.421 3.095 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC000579458903 400339165 /nfs/dbraw/zinc/33/91/65/400339165.db2.gz UKXJRHJCPIWMKL-ZBFHGGJFSA-N 0 0 314.433 3.467 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000579511256 400340086 /nfs/dbraw/zinc/34/00/86/400340086.db2.gz FVWFITAGCWSNAV-BJWYYQGGSA-N 0 0 316.449 3.350 10 30 DGEERN C=CCCC(C)(C)CNC(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000601743639 400342907 /nfs/dbraw/zinc/34/29/07/400342907.db2.gz BBHNZNVWBPBFDG-OAQYLSRUSA-N 0 0 307.459 3.075 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000579951440 400344081 /nfs/dbraw/zinc/34/40/81/400344081.db2.gz JTUQXXXVIWVPGA-CVEARBPZSA-N 0 0 318.465 3.058 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OC ZINC000601770797 400346188 /nfs/dbraw/zinc/34/61/88/400346188.db2.gz FLSAYPFPUFZMFY-LLVKDONJSA-N 0 0 316.184 3.231 10 30 DGEERN C=C(C)C[C@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)OC ZINC000601783563 400349010 /nfs/dbraw/zinc/34/90/10/400349010.db2.gz XTUBJFOILRLNRR-HOCLYGCPSA-N 0 0 303.402 3.113 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000601785748 400349017 /nfs/dbraw/zinc/34/90/17/400349017.db2.gz UHHXAXYDYIVPFE-SMDDNHRTSA-N 0 0 309.793 3.068 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc(C(F)F)ccc1F)C(=O)OC ZINC000601786779 400349754 /nfs/dbraw/zinc/34/97/54/400349754.db2.gz ZPNMVTGPBLHANM-GFCCVEGCSA-N 0 0 315.291 3.001 10 30 DGEERN CCCCOc1ccc(O)c(CN(CCC#N)CCC#N)c1 ZINC000031648744 400351062 /nfs/dbraw/zinc/35/10/62/400351062.db2.gz LCMUHQYRLLGFCU-UHFFFAOYSA-N 0 0 301.390 3.200 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601859949 400366257 /nfs/dbraw/zinc/36/62/57/400366257.db2.gz CZHQFDPDMFOGJD-KGLIPLIRSA-N 0 0 301.438 3.181 10 30 DGEERN C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601873855 400369193 /nfs/dbraw/zinc/36/91/93/400369193.db2.gz HMEYIKPOMUFBGG-ZBFHGGJFSA-N 0 0 322.416 3.045 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCC(c2ccco2)CC1 ZINC000617383404 400373938 /nfs/dbraw/zinc/37/39/38/400373938.db2.gz CKCUVTLPVGZWRW-UHFFFAOYSA-N 0 0 312.369 3.259 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH]c(=O)c1 ZINC000590287182 400375098 /nfs/dbraw/zinc/37/50/98/400375098.db2.gz NVQDNQJSJHGBHI-DOTOQJQBSA-N 0 0 321.380 3.008 10 30 DGEERN C#CCN(CC#C)c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000038819749 400396346 /nfs/dbraw/zinc/39/63/46/400396346.db2.gz XDNPZRMWCFFWBV-UHFFFAOYSA-N 0 0 310.300 3.268 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1CCSC ZINC000602042215 400408397 /nfs/dbraw/zinc/40/83/97/400408397.db2.gz MOXMLIHIRKMCNY-CQSZACIVSA-N 0 0 320.458 3.002 10 30 DGEERN C=CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@@H](C)COC ZINC000617576500 400416208 /nfs/dbraw/zinc/41/62/08/400416208.db2.gz VGPOTPZDWJIJTP-LBPRGKRZSA-N 0 0 317.389 3.009 10 30 DGEERN Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(CC#N)c2)no1 ZINC000611536469 400417091 /nfs/dbraw/zinc/41/70/91/400417091.db2.gz LLLAUFIPWNATQV-INIZCTEOSA-N 0 0 324.384 3.202 10 30 DGEERN C=CCN(C(=O)c1cccc([C@@H]2CCCOC2)c1)[C@@H](C)COC ZINC000617580822 400418445 /nfs/dbraw/zinc/41/84/45/400418445.db2.gz GEVPRJFWKHMOMO-MAUKXSAKSA-N 0 0 317.429 3.244 10 30 DGEERN C=CCN(C(=O)CO[C@H]1CCCc2ccccc21)[C@@H](C)COC ZINC000617582468 400418781 /nfs/dbraw/zinc/41/87/81/400418781.db2.gz OANVRTUFKOGTLT-YJBOKZPZSA-N 0 0 317.429 3.130 10 30 DGEERN N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000611551522 400420042 /nfs/dbraw/zinc/42/00/42/400420042.db2.gz MKLGTVIIDVWMKU-IBGZPJMESA-N 0 0 309.388 3.208 10 30 DGEERN C[C@@H](NCc1csc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000611587727 400427887 /nfs/dbraw/zinc/42/78/87/400427887.db2.gz PMXVXDMWDHXULA-SNVBAGLBSA-N 0 0 304.394 3.071 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)C#N ZINC000611689012 400437023 /nfs/dbraw/zinc/43/70/23/400437023.db2.gz XRGBPARQMYDKLT-SECBINFHSA-N 0 0 315.200 3.427 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1cscn1 ZINC000617823338 400458401 /nfs/dbraw/zinc/45/84/01/400458401.db2.gz DHVFTDYVBFPBHZ-NSHDSACASA-N 0 0 318.398 3.208 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC000617777665 400452037 /nfs/dbraw/zinc/45/20/37/400452037.db2.gz UOFMIQCTIAWNIZ-LLVKDONJSA-N 0 0 302.399 3.018 10 30 DGEERN Cc1ccc(C#N)c(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000127567800 400503237 /nfs/dbraw/zinc/50/32/37/400503237.db2.gz JCHSXQZFMJRAQB-ZDUSSCGKSA-N 0 0 304.357 3.016 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(CC(C)C)CCCC1 ZINC000612181407 400504755 /nfs/dbraw/zinc/50/47/55/400504755.db2.gz AJBMXWZNDLXDOY-MRXNPFEDSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000122454718 400461663 /nfs/dbraw/zinc/46/16/63/400461663.db2.gz MWURHUTXRBKKSK-UHFFFAOYSA-N 0 0 320.414 3.069 10 30 DGEERN C=CCNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000043378970 400465638 /nfs/dbraw/zinc/46/56/38/400465638.db2.gz GOGLACAMWVDPHR-UHFFFAOYSA-N 0 0 324.406 3.277 10 30 DGEERN N#CC1(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CCCC1 ZINC000124745400 400477809 /nfs/dbraw/zinc/47/78/09/400477809.db2.gz HPWFWTPQRNADDM-UHFFFAOYSA-N 0 0 324.424 3.481 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CNc1cccc(Cl)c1 ZINC000591077994 400484014 /nfs/dbraw/zinc/48/40/14/400484014.db2.gz QKQCDJKCQGIEDB-UHFFFAOYSA-N 0 0 306.715 3.329 10 30 DGEERN N#CCc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000612104117 400492803 /nfs/dbraw/zinc/49/28/03/400492803.db2.gz PKTYLJAVGNAKDA-KRWDZBQOSA-N 0 0 321.428 3.059 10 30 DGEERN N#Cc1ccccc1CSCCNC(=O)Cc1ccccc1 ZINC000045574793 400529059 /nfs/dbraw/zinc/52/90/59/400529059.db2.gz VVBLYXUJBJZYAQ-UHFFFAOYSA-N 0 0 310.422 3.150 10 30 DGEERN N#Cc1ccc(N2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000612457977 400548751 /nfs/dbraw/zinc/54/87/51/400548751.db2.gz YHXYJULJBPBSNQ-QGZVFWFLSA-N 0 0 315.373 3.252 10 30 DGEERN C=C(C)C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000602733848 400557006 /nfs/dbraw/zinc/55/70/06/400557006.db2.gz LUDAYKHGMQMQFP-DZGCQCFKSA-N 0 0 320.389 3.013 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000618273630 400557418 /nfs/dbraw/zinc/55/74/18/400557418.db2.gz FKMVIBPWMTZZCR-STQMWFEESA-N 0 0 305.443 3.054 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000075066345 400557549 /nfs/dbraw/zinc/55/75/49/400557549.db2.gz HLGBEOVWNJDYSS-UHFFFAOYSA-N 0 0 310.313 3.193 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc(CC(F)(F)F)cc1)C(=O)OC ZINC000602737982 400558824 /nfs/dbraw/zinc/55/88/24/400558824.db2.gz FBTLHOJOZFNKIH-CQSZACIVSA-N 0 0 315.335 3.389 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@](O)(C2CC2)C1)c1ccccc1 ZINC000618293939 400564274 /nfs/dbraw/zinc/56/42/74/400564274.db2.gz DIBGEHRDZMRSQI-AZUAARDMSA-N 0 0 313.441 3.500 10 30 DGEERN CC1(C)CCN(c2ncc(C#Cc3ccccc3)cn2)C(=O)C1 ZINC000144819532 400642906 /nfs/dbraw/zinc/64/29/06/400642906.db2.gz FAFWETHRMNMOKD-UHFFFAOYSA-N 0 0 305.381 3.029 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000603021837 400626201 /nfs/dbraw/zinc/62/62/01/400626201.db2.gz MUJOGYZCMMGSOW-UHFFFAOYSA-N 0 0 323.400 3.234 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)CCOCC1 ZINC000618417837 400587792 /nfs/dbraw/zinc/58/77/92/400587792.db2.gz VGZUITNXSVIDCB-JCNLHEQBSA-N 0 0 315.413 3.086 10 30 DGEERN C=CCOCCCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000618514296 400608255 /nfs/dbraw/zinc/60/82/55/400608255.db2.gz HDILWXDLVGJRJO-MSOLQXFVSA-N 0 0 301.430 3.354 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000618514523 400608456 /nfs/dbraw/zinc/60/84/56/400608456.db2.gz KVWATUUUYKRDRF-ZDUSSCGKSA-N 0 0 311.809 3.125 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2ccccn2)n1CC1CC1 ZINC000612820133 400609100 /nfs/dbraw/zinc/60/91/00/400609100.db2.gz AZMIFANKDMUGSD-UHFFFAOYSA-N 0 0 311.433 3.076 10 30 DGEERN C=CCOCCCNC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000618524452 400610886 /nfs/dbraw/zinc/61/08/86/400610886.db2.gz FEMYZRUCCDLYNY-UHFFFAOYSA-N 0 0 313.800 3.466 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(Br)c1C ZINC000618523895 400611058 /nfs/dbraw/zinc/61/10/58/400611058.db2.gz UTSCCUAHESSOPF-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C)ccc1Br ZINC000618525911 400611717 /nfs/dbraw/zinc/61/17/17/400611717.db2.gz JKZKGCHYTUYJKV-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000603159577 400651787 /nfs/dbraw/zinc/65/17/87/400651787.db2.gz WVLLNCNFCCGIGU-IEBWSBKVSA-N 0 0 311.429 3.198 10 30 DGEERN C=CCCCN(C)C(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000076484529 400657427 /nfs/dbraw/zinc/65/74/27/400657427.db2.gz INEYZJTVZBNQRN-QGZVFWFLSA-N 0 0 316.426 3.040 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C1CCCCC1 ZINC000076505159 400658651 /nfs/dbraw/zinc/65/86/51/400658651.db2.gz DKABVPXWMXLOCS-KBPBESRZSA-N 0 0 300.402 3.411 10 30 DGEERN C=CCCCN(C)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000076650576 400664917 /nfs/dbraw/zinc/66/49/17/400664917.db2.gz OZRVODOVNXJYMM-UHFFFAOYSA-N 0 0 312.211 3.088 10 30 DGEERN CCN(C(=O)c1cncc(COC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000613175674 400667995 /nfs/dbraw/zinc/66/79/95/400667995.db2.gz HBKKCJFPFUSYDL-CQSZACIVSA-N 0 0 323.396 3.323 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1CCC(F)(F)CC1 ZINC000618733864 400677550 /nfs/dbraw/zinc/67/75/50/400677550.db2.gz ORADKWPQHCVXOC-OAHLLOKOSA-N 0 0 304.340 3.487 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccccc1 ZINC000592709462 400689740 /nfs/dbraw/zinc/68/97/40/400689740.db2.gz SGSGPCUPXNCBBT-IIVZCXTMSA-N 0 0 319.470 3.372 10 30 DGEERN C=CCCSCCNC(=O)NCc1nsc2ccccc12 ZINC000603434598 400686753 /nfs/dbraw/zinc/68/67/53/400686753.db2.gz DJNGYKWTWQFHTN-UHFFFAOYSA-N 0 0 321.471 3.405 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NCC2CCCCC2)cc1 ZINC000077536665 400723908 /nfs/dbraw/zinc/72/39/08/400723908.db2.gz FTDUGFQXEZZPEI-UHFFFAOYSA-N 0 0 315.417 3.304 10 30 DGEERN N#C[C@H](NC(=O)C1(c2cccc(F)c2)CCCCC1)C1CC1 ZINC000161793514 400742401 /nfs/dbraw/zinc/74/24/01/400742401.db2.gz PRGZLEHLFDBPNA-INIZCTEOSA-N 0 0 300.377 3.446 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCC)CCc1cccs1 ZINC000613550449 400747344 /nfs/dbraw/zinc/74/73/44/400747344.db2.gz FSOVTLMZXKWVME-MRXNPFEDSA-N 0 0 322.474 3.000 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1onc2c1CCCC2 ZINC000613329670 400698716 /nfs/dbraw/zinc/69/87/16/400698716.db2.gz IHRAWPKMKIVOIF-UHFFFAOYSA-N 0 0 300.358 3.017 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC000592886948 400715063 /nfs/dbraw/zinc/71/50/63/400715063.db2.gz IVRRUDAQXNKSPE-UHFFFAOYSA-N 0 0 313.397 3.126 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCC(CC)(CC)CC1 ZINC000613867318 400804104 /nfs/dbraw/zinc/80/41/04/400804104.db2.gz ZCDPESQRAMKCFS-MRXNPFEDSA-N 0 0 308.466 3.276 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CCc1cn(C)nn1 ZINC000613900537 400809717 /nfs/dbraw/zinc/80/97/17/400809717.db2.gz GNKUQZAHZJILFU-UHFFFAOYSA-N 0 0 312.417 3.238 10 30 DGEERN C=CCN(CC=C)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171942649 400810003 /nfs/dbraw/zinc/81/00/03/400810003.db2.gz IROFFSWRWCGYAL-UHFFFAOYSA-N 0 0 320.190 3.140 10 30 DGEERN C=CCOCCCC(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000619099897 400765984 /nfs/dbraw/zinc/76/59/84/400765984.db2.gz AABODVBRSFIUPM-GJZGRUSLSA-N 0 0 309.450 3.212 10 30 DGEERN C=CCC1(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)CCCC1 ZINC000619106054 400769818 /nfs/dbraw/zinc/76/98/18/400769818.db2.gz LGOCYZIDELNYED-QGZVFWFLSA-N 0 0 314.429 3.259 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CCC ZINC000604488402 400780441 /nfs/dbraw/zinc/78/04/41/400780441.db2.gz VJKXSSWJHHUXJD-CYBMUJFWSA-N 0 0 305.378 3.481 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2ccccc2C1 ZINC000171526729 400800884 /nfs/dbraw/zinc/80/08/84/400800884.db2.gz YGSBOWOEVASJOV-OAHLLOKOSA-N 0 0 320.392 3.301 10 30 DGEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593524544 400872254 /nfs/dbraw/zinc/87/22/54/400872254.db2.gz MYXIVBDOJHPJTQ-UHFFFAOYSA-N 0 0 306.431 3.074 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000180358698 400882705 /nfs/dbraw/zinc/88/27/05/400882705.db2.gz YLBZLZXHPNCQPH-ZDUSSCGKSA-N 0 0 304.390 3.017 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)CC(=C)C ZINC000613988115 400823246 /nfs/dbraw/zinc/82/32/46/400823246.db2.gz XPKMCRUWYFDRJF-MWDXBVQZSA-N 0 0 320.477 3.345 10 30 DGEERN C=CC[C@@H]1N(C(=O)CC2CCN(OC)CC2)CCCC1(C)C ZINC000614054666 400831510 /nfs/dbraw/zinc/83/15/10/400831510.db2.gz GDSDZRSCPNUPSM-INIZCTEOSA-N 0 0 308.466 3.243 10 30 DGEERN C=CCCCN(C)C(=O)CCn1c2ccc(Cl)cc2oc1=O ZINC000172555557 400833292 /nfs/dbraw/zinc/83/32/92/400833292.db2.gz CSIYTHLFPGGEDE-UHFFFAOYSA-N 0 0 322.792 3.063 10 30 DGEERN C=CCN(C(=O)c1cccc(-n2cncn2)c1)c1ccccc1 ZINC000605368333 400856372 /nfs/dbraw/zinc/85/63/72/400856372.db2.gz TZTBDCNSBSTSEK-UHFFFAOYSA-N 0 0 304.353 3.100 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccnc(OC)c1 ZINC000614242615 400861338 /nfs/dbraw/zinc/86/13/38/400861338.db2.gz VUIGNEFDHRASGC-UHFFFAOYSA-N 0 0 310.397 3.238 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCOc2ccc(O)cc2C1 ZINC000633410878 400940031 /nfs/dbraw/zinc/94/00/31/400940031.db2.gz SQWWGYARVAQEFJ-UHFFFAOYSA-N 0 0 318.417 3.289 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000633411413 400940171 /nfs/dbraw/zinc/94/01/71/400940171.db2.gz RLXGLGLNXWXJDA-AWEZNQCLSA-N 0 0 320.437 3.259 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000614374001 400889248 /nfs/dbraw/zinc/88/92/48/400889248.db2.gz XABHDGSUWSEKBC-VRKREXBASA-N 0 0 313.388 3.299 10 30 DGEERN C[C@]1(CCCO)CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000619697220 400889332 /nfs/dbraw/zinc/88/93/32/400889332.db2.gz BVFAEAOZVUAOPM-CQSZACIVSA-N 0 0 313.323 3.103 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000182659111 400895848 /nfs/dbraw/zinc/89/58/48/400895848.db2.gz WMOWCVLOUSKUAE-RHSMWYFYSA-N 0 0 302.418 3.115 10 30 DGEERN CC(C)c1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)C#N)C2)n1 ZINC000182837326 400897696 /nfs/dbraw/zinc/89/76/96/400897696.db2.gz HCBWCQGKCGQKJX-QWHCGFSZSA-N 0 0 320.462 3.315 10 30 DGEERN CC(C)c1csc([C@H]2CCCN(C(=O)NC[C@H](C)C#N)C2)n1 ZINC000182837374 400898790 /nfs/dbraw/zinc/89/87/90/400898790.db2.gz HCBWCQGKCGQKJX-OLZOCXBDSA-N 0 0 320.462 3.315 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000182912760 400898896 /nfs/dbraw/zinc/89/88/96/400898896.db2.gz HBOXIPNZSRTWOD-INIZCTEOSA-N 0 0 308.381 3.316 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000183589669 400900914 /nfs/dbraw/zinc/90/09/14/400900914.db2.gz MGAPMWDFCRIMOJ-CQSZACIVSA-N 0 0 304.390 3.067 10 30 DGEERN CCn1c(Cc2ccccc2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC000619814391 400908295 /nfs/dbraw/zinc/90/82/95/400908295.db2.gz OZTFLBBOSQOVND-LJQANCHMSA-N 0 0 323.444 3.327 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000614490026 400908470 /nfs/dbraw/zinc/90/84/70/400908470.db2.gz ZKLQXZXAVVPYNV-OAHLLOKOSA-N 0 0 318.417 3.099 10 30 DGEERN C=CCSCCNC(=O)COc1ccc(/C=C/C)cc1OC ZINC000194506780 400920430 /nfs/dbraw/zinc/92/04/30/400920430.db2.gz ZINQRDHYCVAGQP-GQCTYLIASA-N 0 0 321.442 3.143 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@H](CC)c2ccccc2)nn1 ZINC000593935391 400922469 /nfs/dbraw/zinc/92/24/69/400922469.db2.gz BVHCTSLYMGAEKD-IIBYNOLFSA-N 0 0 303.431 3.254 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@@H](CC)c2ccccc2)nn1 ZINC000593935392 400922727 /nfs/dbraw/zinc/92/27/27/400922727.db2.gz BVHCTSLYMGAEKD-KKSFZXQISA-N 0 0 303.431 3.254 10 30 DGEERN N#CCc1ccc(Br)c(I)c1 ZINC000238060320 400997945 /nfs/dbraw/zinc/99/79/45/400997945.db2.gz OZGJIYKWTBQKTE-UHFFFAOYSA-N 0 0 321.943 3.120 10 30 DGEERN C=CCCC(C)(C)NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000620858814 400998755 /nfs/dbraw/zinc/99/87/55/400998755.db2.gz QAHKNFMFSCLKCR-AWEZNQCLSA-N 0 0 301.434 3.402 10 30 DGEERN C=C(C)Cn1c(COC)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC000624970281 400999007 /nfs/dbraw/zinc/99/90/07/400999007.db2.gz QGJWELYIBBAZHJ-NFAHFFEMSA-N 0 0 304.438 3.183 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCCc1nsc2ccccc12 ZINC000620188224 401006805 /nfs/dbraw/zinc/00/68/05/401006805.db2.gz NCERTIIISDQSOC-QGZVFWFLSA-N 0 0 318.442 3.184 10 30 DGEERN C=CCc1cc(C(=O)N(C)Cc2ccc[nH]2)cc(OC)c1OC ZINC000080971652 401009143 /nfs/dbraw/zinc/00/91/43/401009143.db2.gz SHIMPWQNYGMLHF-UHFFFAOYSA-N 0 0 314.385 3.033 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000624826808 400961077 /nfs/dbraw/zinc/96/10/77/400961077.db2.gz FNVIJNIULSFDJU-RYUDHWBXSA-N 0 0 322.359 3.452 10 30 DGEERN C#CCC(=O)c1ccc(I)c(Cl)c1 ZINC000232354367 400971480 /nfs/dbraw/zinc/97/14/80/400971480.db2.gz GQXMTNSAHZWZFC-UHFFFAOYSA-N 0 0 304.514 3.151 10 30 DGEERN C#CCC(=O)c1ccc(Br)cc1Br ZINC000232457831 400971666 /nfs/dbraw/zinc/97/16/66/400971666.db2.gz PFJRYGXESYRMFL-UHFFFAOYSA-N 0 0 301.965 3.418 10 30 DGEERN C=C(C)[C@@H](NN)c1cc(Cl)ccc1I ZINC000232558715 400971923 /nfs/dbraw/zinc/97/19/23/400971923.db2.gz ZJBIVAGRPBJRIH-SNVBAGLBSA-N 0 0 322.577 3.025 10 30 DGEERN C[C@@H](C#N)C(=O)c1cc(Cl)ccc1I ZINC000235071845 400974548 /nfs/dbraw/zinc/97/45/48/400974548.db2.gz CPHOUPZREKPJSY-LURJTMIESA-N 0 0 319.529 3.287 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000620308995 401052293 /nfs/dbraw/zinc/05/22/93/401052293.db2.gz ILDKYFKQXQQPNP-OKILXGFUSA-N 0 0 313.332 3.199 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000620306731 401052431 /nfs/dbraw/zinc/05/24/31/401052431.db2.gz OOTYBVPIMYPOSY-OKILXGFUSA-N 0 0 310.397 3.240 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000620308933 401052621 /nfs/dbraw/zinc/05/26/21/401052621.db2.gz HEBIOUSMIBTISK-IYBDPMFKSA-N 0 0 309.369 3.368 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(SC)n2ccccc12 ZINC000620312480 401053740 /nfs/dbraw/zinc/05/37/40/401053740.db2.gz AHTRETYSNQVEIY-BETUJISGSA-N 0 0 313.426 3.379 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(-c2cccc(C)c2)c1C ZINC000620312841 401053824 /nfs/dbraw/zinc/05/38/24/401053824.db2.gz ODSRFHBQKUYJON-IYBDPMFKSA-N 0 0 322.412 3.207 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCCCOC)c1 ZINC000620310280 401054091 /nfs/dbraw/zinc/05/40/91/401054091.db2.gz ZSHKMMQCZXIJNR-CALCHBBNSA-N 0 0 315.413 3.425 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(Cc2ccccc2)c1 ZINC000620317572 401054388 /nfs/dbraw/zinc/05/43/88/401054388.db2.gz RZGHRFYDVORXIW-HDICACEKSA-N 0 0 307.397 3.255 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(OC)c1OC ZINC000620317372 401055087 /nfs/dbraw/zinc/05/50/87/401055087.db2.gz OBUALFAUFNGSLU-IYBDPMFKSA-N 0 0 315.413 3.346 10 30 DGEERN CC(=O)CCC(C)(C)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000629732498 401062982 /nfs/dbraw/zinc/06/29/82/401062982.db2.gz NJIQDGKTXZKABO-UHFFFAOYSA-N 0 0 312.413 3.033 10 30 DGEERN N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000594435723 401070173 /nfs/dbraw/zinc/07/01/73/401070173.db2.gz JBCSFEPRFIWJNN-NSHDSACASA-N 0 0 316.188 3.049 10 30 DGEERN C=CCCn1cc(COc2cc(C)c([N+](=O)[O-])cc2Cl)nn1 ZINC000594450117 401073840 /nfs/dbraw/zinc/07/38/40/401073840.db2.gz FXVZPJSKZPOERN-UHFFFAOYSA-N 0 0 322.752 3.303 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594471514 401076370 /nfs/dbraw/zinc/07/63/70/401076370.db2.gz GEDVUELJUXSAPP-UHFFFAOYSA-N 0 0 305.385 3.123 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1nnc(C(F)F)o1 ZINC000633604862 401021412 /nfs/dbraw/zinc/02/14/12/401021412.db2.gz MSXQDGOAGZEJHO-WDEREUQCSA-N 0 0 313.348 3.191 10 30 DGEERN C=CC(C)(C)C(=O)NCc1cc(-c2ccccc2OC)no1 ZINC000620962111 401024385 /nfs/dbraw/zinc/02/43/85/401024385.db2.gz KZNPPYNNCVXFSU-UHFFFAOYSA-N 0 0 300.358 3.179 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000633616111 401027098 /nfs/dbraw/zinc/02/70/98/401027098.db2.gz HAHRIFXEFNFSBJ-KRWDZBQOSA-N 0 0 309.413 3.230 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CCOCC1 ZINC000620261215 401032846 /nfs/dbraw/zinc/03/28/46/401032846.db2.gz OZWPPNSSNRXNGP-QGZVFWFLSA-N 0 0 315.413 3.039 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000594272126 401037515 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401110282 /nfs/dbraw/zinc/11/02/82/401110282.db2.gz OETGEORBABLFQO-UHFFFAOYSA-N 0 0 304.419 3.081 10 30 DGEERN N#C[C@]1(F)CCN(C(=O)CCc2cccc(C(F)(F)F)c2)C1 ZINC000615596953 401114569 /nfs/dbraw/zinc/11/45/69/401114569.db2.gz VLSIUUMVKWDRCD-CQSZACIVSA-N 0 0 314.282 3.102 10 30 DGEERN C=CCC[C@H](C(=O)N1CCO[C@@](C)(COC)C1)c1ccccc1 ZINC000629898193 401120658 /nfs/dbraw/zinc/12/06/58/401120658.db2.gz BIZXHMYDECPAAW-PKOBYXMFSA-N 0 0 317.429 3.000 10 30 DGEERN CC(C)c1ccc(S(=O)(=O)Cc2ccnc(C#N)c2)cc1 ZINC000084240372 401133791 /nfs/dbraw/zinc/13/37/91/401133791.db2.gz AXJKCATUTNJSAE-UHFFFAOYSA-N 0 0 300.383 3.051 10 30 DGEERN N#Cc1cc(C[S@](=O)c2cccc(Br)c2)ccn1 ZINC000084255963 401133987 /nfs/dbraw/zinc/13/39/87/401133987.db2.gz YVTJWJNPAAGMQD-GOSISDBHSA-N 0 0 321.199 3.024 10 30 DGEERN Cc1ccc2oc(S[C@@H](C)C(=O)NC3(C#N)CCC3)nc2c1 ZINC000615681926 401134420 /nfs/dbraw/zinc/13/44/20/401134420.db2.gz HHKRTCMBQBUDPA-NSHDSACASA-N 0 0 315.398 3.179 10 30 DGEERN 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301.434 3.355 10 30 DGEERN C=CCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(C)(C)C ZINC000622945852 401441785 /nfs/dbraw/zinc/44/17/85/401441785.db2.gz WAIRNXZMHZZMJF-UHFFFAOYSA-N 0 0 314.429 3.367 10 30 DGEERN C=CCN(C(=O)c1cnn(CCC(F)(F)F)c1)C(C)(C)C ZINC000622944663 401442019 /nfs/dbraw/zinc/44/20/19/401442019.db2.gz ACKBNBUABDQMIL-UHFFFAOYSA-N 0 0 303.328 3.262 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1N(C)CCC ZINC000627104368 401444924 /nfs/dbraw/zinc/44/49/24/401444924.db2.gz BOQLJNWRMRISQK-YOEHRIQHSA-N 0 0 317.433 3.245 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C ZINC000627623157 401478846 /nfs/dbraw/zinc/47/88/46/401478846.db2.gz QZYUDOHIVXGUEN-INIZCTEOSA-N 0 0 318.461 3.474 10 30 DGEERN C=C1CC(C)(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000631576577 401503484 /nfs/dbraw/zinc/50/34/84/401503484.db2.gz BQWLXTMBDFLPJA-ZDUSSCGKSA-N 0 0 321.421 3.118 10 30 DGEERN C=C1CC(C)(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000631576576 401503634 /nfs/dbraw/zinc/50/36/34/401503634.db2.gz BQWLXTMBDFLPJA-CYBMUJFWSA-N 0 0 321.421 3.118 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 ZINC000623400758 401508366 /nfs/dbraw/zinc/50/83/66/401508366.db2.gz DYPSKSKMEKVHKJ-GOEBONIOSA-N 0 0 302.418 3.321 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2ccc(COCC)cc2)C1 ZINC000623412578 401511079 /nfs/dbraw/zinc/51/10/79/401511079.db2.gz QZGZRSLEUQQXEN-MRXNPFEDSA-N 0 0 302.418 3.331 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C2CCOCC2)n1 ZINC000628037643 401514834 /nfs/dbraw/zinc/51/48/34/401514834.db2.gz GSSVYPPELJZKMR-GDBMZVCRSA-N 0 0 317.433 3.099 10 30 DGEERN C=CCN(C(=O)c1cccc(C(F)F)c1F)[C@H](C)COC ZINC000628055241 401517784 /nfs/dbraw/zinc/51/77/84/401517784.db2.gz WDRWMMBDWMQSKH-SNVBAGLBSA-N 0 0 301.308 3.426 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cc(C)n([C@H]3CCOC3)c2C)C1 ZINC000628062506 401518365 /nfs/dbraw/zinc/51/83/65/401518365.db2.gz IKFVUGYQXWYBJX-SJORKVTESA-N 0 0 316.445 3.495 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC000628062568 401518392 /nfs/dbraw/zinc/51/83/92/401518392.db2.gz KMORVBKQFCVDIV-DZGCQCFKSA-N 0 0 303.377 3.192 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000628062569 401518593 /nfs/dbraw/zinc/51/85/93/401518593.db2.gz KMORVBKQFCVDIV-HIFRSBDPSA-N 0 0 303.377 3.192 10 30 DGEERN C=CCC1(NC(=O)[C@@H](C)OCc2ccccc2C)CCOCC1 ZINC000628080104 401521140 /nfs/dbraw/zinc/52/11/40/401521140.db2.gz MWJDFBHIHHNPLH-MRXNPFEDSA-N 0 0 317.429 3.142 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)COCc2ccccc2)C1 ZINC000623494881 401531442 /nfs/dbraw/zinc/53/14/42/401531442.db2.gz HKLVHIHANYUNNN-DLBZAZTESA-N 0 0 316.445 3.447 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCN1CCc2sccc2C1 ZINC000623493308 401531610 /nfs/dbraw/zinc/53/16/10/401531610.db2.gz ARMPEJDJGKDVNU-UHFFFAOYSA-N 0 0 321.490 3.008 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)COCC(F)F ZINC000623492076 401531855 /nfs/dbraw/zinc/53/18/55/401531855.db2.gz KGXPOEKKABIVHH-UHFFFAOYSA-N 0 0 309.765 3.198 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C=CC(C)(C)CCNC(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000623542112 401542820 /nfs/dbraw/zinc/54/28/20/401542820.db2.gz OCGPWTQQQWUIPR-AWEZNQCLSA-N 0 0 318.417 3.420 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2ccnc(SCC)c2)C1 ZINC000623910507 401598147 /nfs/dbraw/zinc/59/81/47/401598147.db2.gz RDINCVXVMZGUKS-ZDUSSCGKSA-N 0 0 305.447 3.301 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2OC)C1 ZINC000623586935 401551265 /nfs/dbraw/zinc/55/12/65/401551265.db2.gz WXUGGBMBDJKBEY-LBPRGKRZSA-N 0 0 308.809 3.456 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000623590190 401551798 /nfs/dbraw/zinc/55/17/98/401551798.db2.gz HQYHZFQHUHVRJZ-LSDHHAIUSA-N 0 0 300.402 3.160 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)Cc2cccc(OC)c2)C1 ZINC000623606975 401555411 /nfs/dbraw/zinc/55/54/11/401555411.db2.gz RGFKIMRNFBPZKC-LSDHHAIUSA-N 0 0 302.418 3.234 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](CC)NC(C)=O ZINC000632754098 401623656 /nfs/dbraw/zinc/62/36/56/401623656.db2.gz ZKAHCMSPURQDPN-MRXNPFEDSA-N 0 0 302.418 3.392 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](c1ccccn1)C1CCC1)OCC ZINC000628664168 401624541 /nfs/dbraw/zinc/62/45/41/401624541.db2.gz OCKYLOMXNBLKTE-WMZOPIPTSA-N 0 0 302.418 3.410 10 30 DGEERN C=CCCCNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000632797940 401626677 /nfs/dbraw/zinc/62/66/77/401626677.db2.gz PVUBRJODIQDQJN-UHFFFAOYSA-N 0 0 303.328 3.028 10 30 DGEERN C=CCCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632797318 401626830 /nfs/dbraw/zinc/62/68/30/401626830.db2.gz GABMUPMROVDHOM-QLFBSQMISA-N 0 0 320.230 3.417 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccc(OC)cc1OC)OCC ZINC000628820390 401640884 /nfs/dbraw/zinc/64/08/84/401640884.db2.gz UJAKCLCONZNPFP-BBRMVZONSA-N 0 0 321.417 3.252 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@H](C)c1cccs1 ZINC000632412322 401605965 /nfs/dbraw/zinc/60/59/65/401605965.db2.gz YDOXUSJCWSEBRV-CYBMUJFWSA-N 0 0 322.474 3.376 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CSc2nc3ccccc3o2)C1 ZINC000628483678 401606197 /nfs/dbraw/zinc/60/61/97/401606197.db2.gz 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ZINC000632582164 401615546 /nfs/dbraw/zinc/61/55/46/401615546.db2.gz QKIOEGCRRCJJDZ-OAHLLOKOSA-N 0 0 307.340 3.221 10 30 DGEERN C=C1CC(C)(C(=O)N2CCN(c3ccccc3F)C[C@@H]2C)C1 ZINC000632729632 401621623 /nfs/dbraw/zinc/62/16/23/401621623.db2.gz IYGFBCQVTAPKCX-AWEZNQCLSA-N 0 0 302.393 3.219 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000624314961 401649760 /nfs/dbraw/zinc/64/97/60/401649760.db2.gz SJEPENNFNMBTOU-RYUDHWBXSA-N 0 0 322.371 3.388 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2ccnc3ccccc23)C1 ZINC000624352000 401655282 /nfs/dbraw/zinc/65/52/82/401655282.db2.gz DYGYDNYFGYNMIV-HNNXBMFYSA-N 0 0 309.413 3.385 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)c(F)c1 ZINC000633173179 401657106 /nfs/dbraw/zinc/65/71/06/401657106.db2.gz OJPARMAWOLDHDR-CJTUPEFNSA-N 0 0 324.371 3.447 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2nsc3ccccc32)C1 ZINC000624385844 401657342 /nfs/dbraw/zinc/65/73/42/401657342.db2.gz QMMZTYAHSRZHTR-ZDUSSCGKSA-N 0 0 315.442 3.446 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1ccncc1OC ZINC000633180790 401657956 /nfs/dbraw/zinc/65/79/56/401657956.db2.gz MKLHAXWFJHDBCL-ZDUSSCGKSA-N 0 0 305.422 3.443 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000624464933 401662857 /nfs/dbraw/zinc/66/28/57/401662857.db2.gz WHPOEGDXWSJTBO-MRXNPFEDSA-N 0 0 302.418 3.372 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@H]1OCCc2ccccc21 ZINC000624466145 401662883 /nfs/dbraw/zinc/66/28/83/401662883.db2.gz KAAMDAYRXLAASZ-MRXNPFEDSA-N 0 0 302.418 3.202 10 30 DGEERN C=C(C)CCNC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633279472 401669048 /nfs/dbraw/zinc/66/90/48/401669048.db2.gz VIQWJMKSSZWHLV-CYBMUJFWSA-N 0 0 316.323 3.004 10 30 DGEERN C=C(C)CCNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633307635 401671281 /nfs/dbraw/zinc/67/12/81/401671281.db2.gz SKLPLXAHPJBONC-RRFJBIMHSA-N 0 0 320.230 3.417 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000633377629 401678333 /nfs/dbraw/zinc/67/83/33/401678333.db2.gz VEUSQJKMCOAWTJ-LLVKDONJSA-N 0 0 317.389 3.496 10 30 DGEERN C=CCOCCCc1nc(-c2c[nH]c(=O)c3sccc32)no1 ZINC000624708176 401684283 /nfs/dbraw/zinc/68/42/83/401684283.db2.gz YADVVEWBVUQMDQ-UHFFFAOYSA-N 0 0 317.370 3.187 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180059536 296640369 /nfs/dbraw/zinc/64/03/69/296640369.db2.gz AQAZIIPBEYWRMM-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN CC(C)(C)[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1O ZINC000408194875 165948126 /nfs/dbraw/zinc/94/81/26/165948126.db2.gz JUJBTWSSIUPIDW-WBVHZDCISA-N 0 0 309.413 3.340 10 30 DGEERN N#Cc1cnccc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000364903653 287073609 /nfs/dbraw/zinc/07/36/09/287073609.db2.gz FKNSXDIZOCXKBD-UHFFFAOYSA-N 0 0 321.306 3.010 10 30 DGEERN C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)[C@H]1c1cccc(F)c1 ZINC000176214943 164775872 /nfs/dbraw/zinc/77/58/72/164775872.db2.gz LLSGNKPYYVKRLA-YVEFUNNKSA-N 0 0 311.360 3.259 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000176580864 164785263 /nfs/dbraw/zinc/78/52/63/164785263.db2.gz OLUKQKLHGJAFEO-KRWDZBQOSA-N 0 0 305.337 3.009 10 30 DGEERN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc(C#N)cn2C)c1 ZINC000177766102 164814456 /nfs/dbraw/zinc/81/44/56/164814456.db2.gz OJMMZAPFFXZTBQ-QGZVFWFLSA-N 0 0 307.397 3.491 10 30 DGEERN N#Cc1cccc(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185876798 165019820 /nfs/dbraw/zinc/01/98/20/165019820.db2.gz VGXDNTXZNJTQTQ-UHFFFAOYSA-N 0 0 300.365 3.305 10 30 DGEERN COc1cccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000185999283 165024156 /nfs/dbraw/zinc/02/41/56/165024156.db2.gz WPNLLQIIXZXPBO-CYBMUJFWSA-N 0 0 319.368 3.321 10 30 DGEERN N#Cc1ccsc1NC(=O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186179900 165030983 /nfs/dbraw/zinc/03/09/83/165030983.db2.gz ZFWYJOVEHHEPSP-UHFFFAOYSA-N 0 0 323.421 3.106 10 30 DGEERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000186779435 165060156 /nfs/dbraw/zinc/06/01/56/165060156.db2.gz VYBACSXDZKCUHU-INIZCTEOSA-N 0 0 319.836 3.044 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000186913410 165066133 /nfs/dbraw/zinc/06/61/33/165066133.db2.gz PZFUUDLZQZMADT-UHFFFAOYSA-N 0 0 300.793 3.314 10 30 DGEERN CC(C)[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCS1 ZINC000187662491 165099363 /nfs/dbraw/zinc/09/93/63/165099363.db2.gz WNZFDBQGTVQAKY-INIZCTEOSA-N 0 0 314.454 3.190 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000188460087 165125306 /nfs/dbraw/zinc/12/53/06/165125306.db2.gz BVDGERKOHMOBMH-UHFFFAOYSA-N 0 0 311.385 3.325 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000188765364 165136597 /nfs/dbraw/zinc/13/65/97/165136597.db2.gz AQXIXMNPSCRKNI-KRWDZBQOSA-N 0 0 324.424 3.198 10 30 DGEERN CC1(C)CN(C(=O)c2cccc(F)c2C#N)CC2(CCCC2)O1 ZINC000189173210 165152752 /nfs/dbraw/zinc/15/27/52/165152752.db2.gz OLILKPYJKIWXGN-UHFFFAOYSA-N 0 0 316.376 3.261 10 30 DGEERN Cc1cccc(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000189279949 165155611 /nfs/dbraw/zinc/15/56/11/165155611.db2.gz PCVPZIUAOYNHAC-UHFFFAOYSA-N 0 0 304.393 3.257 10 30 DGEERN Cc1cccc2c1OCC[C@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000190134054 165189490 /nfs/dbraw/zinc/18/94/90/165189490.db2.gz GREBYOHETCFYKJ-GOSISDBHSA-N 0 0 320.392 3.439 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)NCc1ccc(C#N)cc1 ZINC000190312202 165197607 /nfs/dbraw/zinc/19/76/07/165197607.db2.gz YGODEVKYJAGYLA-UHFFFAOYSA-N 0 0 311.410 3.206 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000190451485 165204223 /nfs/dbraw/zinc/20/42/23/165204223.db2.gz FRLPHOZOTYSTJJ-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN CCCCOc1ccc(CCNC(=O)c2ccnc(C#N)c2)cc1 ZINC000192750442 165303509 /nfs/dbraw/zinc/30/35/09/165303509.db2.gz SITHSCROMQCROD-UHFFFAOYSA-N 0 0 323.396 3.105 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)ccn1 ZINC000193016701 165314633 /nfs/dbraw/zinc/31/46/33/165314633.db2.gz PQVRRUJBYIQZMM-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN CC(C)(C)c1cccc(OCCNC(=O)c2ccnc(C#N)c2)c1 ZINC000193264407 165320094 /nfs/dbraw/zinc/32/00/94/165320094.db2.gz DQHCELYLLYPSDF-UHFFFAOYSA-N 0 0 323.396 3.060 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)ccn1 ZINC000193819099 165333765 /nfs/dbraw/zinc/33/37/65/165333765.db2.gz DSHNJKZRZQVYGO-UHFFFAOYSA-N 0 0 323.686 3.460 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000194126333 165337659 /nfs/dbraw/zinc/33/76/59/165337659.db2.gz FJBAEUWSRSAPDV-AWEZNQCLSA-N 0 0 322.324 3.004 10 30 DGEERN C[C@@H]1C(=O)NCCCN1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329905470 287190574 /nfs/dbraw/zinc/19/05/74/287190574.db2.gz ATBSCQVUEGPVGT-CZUORRHYSA-N 0 0 315.417 3.071 10 30 DGEERN CO[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@@H]1C ZINC000190414031 432153494 /nfs/dbraw/zinc/15/34/94/432153494.db2.gz UXIKIPSDVKAIEN-JSGCOSHPSA-N 0 0 318.421 3.003 10 30 DGEERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H](C)CO2)c1 ZINC000182200980 432164201 /nfs/dbraw/zinc/16/42/01/432164201.db2.gz JPYKCOIQNCEKAQ-KSSFIOAISA-N 0 0 323.396 3.105 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000190591175 432173497 /nfs/dbraw/zinc/17/34/97/432173497.db2.gz KRXGHTHYPSLLPJ-QGZVFWFLSA-N 0 0 314.385 3.213 10 30 DGEERN N#Cc1cccc(Cl)c1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171808400 432174464 /nfs/dbraw/zinc/17/44/64/432174464.db2.gz QOOXJSJFWPUODI-CYBMUJFWSA-N 0 0 313.792 3.083 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1 ZINC000130580266 196092627 /nfs/dbraw/zinc/09/26/27/196092627.db2.gz FNZURKSYXOLVNC-CYBMUJFWSA-N 0 0 309.369 3.118 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000190934182 432203451 /nfs/dbraw/zinc/20/34/51/432203451.db2.gz NFLGDHRRGPQERC-ZDUSSCGKSA-N 0 0 317.433 3.137 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000172434990 432214580 /nfs/dbraw/zinc/21/45/80/432214580.db2.gz SANZBNMKQPCARW-CQSZACIVSA-N 0 0 318.376 3.404 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000191130913 432225382 /nfs/dbraw/zinc/22/53/82/432225382.db2.gz KVIUISSVAZRXEJ-LLVKDONJSA-N 0 0 314.788 3.384 10 30 DGEERN C[C@H]1CC(O)C[C@H](C)N1Cc1cc(C#N)ccc1Br ZINC000191135412 432225999 /nfs/dbraw/zinc/22/59/99/432225999.db2.gz WYCGPFCRPFDNBP-QWRGUYRKSA-N 0 0 323.234 3.054 10 30 DGEERN N#Cc1ccc(NC(=O)CSC2CCOCC2)cc1Cl ZINC000131458226 196171040 /nfs/dbraw/zinc/17/10/40/196171040.db2.gz PJZWKGGPRINQJN-UHFFFAOYSA-N 0 0 310.806 3.062 10 30 DGEERN Cc1cccc(F)c1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000133950237 196349059 /nfs/dbraw/zinc/34/90/59/196349059.db2.gz KFOFNAJIDJDKAX-UHFFFAOYSA-N 0 0 313.332 3.206 10 30 DGEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329280092 287321163 /nfs/dbraw/zinc/32/11/63/287321163.db2.gz MSCCZIWQFVAQEN-ZIAGYGMSSA-N 0 0 318.465 3.141 10 30 DGEERN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000328899355 287430824 /nfs/dbraw/zinc/43/08/24/287430824.db2.gz XGRQZEIPCZXKIW-UJDVCPFMSA-N 0 0 307.438 3.356 10 30 DGEERN N#C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)C1CC1 ZINC000108828326 226913868 /nfs/dbraw/zinc/91/38/68/226913868.db2.gz LHUYVPXSDFNUIP-GOSISDBHSA-N 0 0 320.392 3.211 10 30 DGEERN N#Cc1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)nc2ccccc12 ZINC000128342202 227008910 /nfs/dbraw/zinc/00/89/10/227008910.db2.gz AULTVPYGUNMMNZ-BEFAXECRSA-N 0 0 307.397 3.238 10 30 DGEERN N#CCCCOc1cccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000133196709 227036326 /nfs/dbraw/zinc/03/63/26/227036326.db2.gz JMZUHNFVBMVRMN-OAHLLOKOSA-N 0 0 324.384 3.151 10 30 DGEERN Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccn(CCC#N)n1 ZINC000152929280 227079892 /nfs/dbraw/zinc/07/98/92/227079892.db2.gz AOQNEYGWARHLPX-UHFFFAOYSA-N 0 0 307.357 3.147 10 30 DGEERN CC1(C)CN(c2cccnc2C#N)C[C@@H](COc2ccccc2)O1 ZINC000291160974 222184133 /nfs/dbraw/zinc/18/41/33/222184133.db2.gz PYBSTWJASBXGMI-INIZCTEOSA-N 0 0 323.396 3.016 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1occc1C ZINC000291872209 335084433 /nfs/dbraw/zinc/08/44/33/335084433.db2.gz JVRAFWIZODKORG-KRWDZBQOSA-N 0 0 310.397 3.364 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000160065771 228244508 /nfs/dbraw/zinc/24/45/08/228244508.db2.gz LUJVQTHWIZYRBI-UHFFFAOYSA-N 0 0 319.364 3.246 10 30 DGEERN COc1ccc(NC(C)=O)c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000162749209 228259143 /nfs/dbraw/zinc/25/91/43/228259143.db2.gz SIPUDVJTIRDXQY-UHFFFAOYSA-N 0 0 323.352 3.086 10 30 DGEERN N#CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171738088 228273484 /nfs/dbraw/zinc/27/34/84/228273484.db2.gz RKSYETORMLVFSZ-QWHCGFSZSA-N 0 0 304.340 3.411 10 30 DGEERN COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1 ZINC000176986509 228322610 /nfs/dbraw/zinc/32/26/10/228322610.db2.gz FSIIEFLGSHACFA-QGZVFWFLSA-N 0 0 312.344 3.043 10 30 DGEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1C(F)(F)F ZINC000177480745 228331181 /nfs/dbraw/zinc/33/11/81/228331181.db2.gz XXBIVARKYPVPFL-UHFFFAOYSA-N 0 0 307.275 3.476 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(F)cc2C#N)s1 ZINC000177578841 228332914 /nfs/dbraw/zinc/33/29/14/228332914.db2.gz WRJPKRWIBXPVBA-SECBINFHSA-N 0 0 319.361 3.422 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000178563518 228343135 /nfs/dbraw/zinc/34/31/35/228343135.db2.gz PSGFXIYZWTUHOO-GFCCVEGCSA-N 0 0 304.353 3.234 10 30 DGEERN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000181884692 228365312 /nfs/dbraw/zinc/36/53/12/228365312.db2.gz LFVXXAGKEUSBTQ-RISCZKNCSA-N 0 0 306.369 3.341 10 30 DGEERN Cc1ccc(CCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183971551 228379088 /nfs/dbraw/zinc/37/90/88/228379088.db2.gz FSMDCXLWCYQVKS-NRFANRHFSA-N 0 0 318.420 3.495 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1 ZINC000187336683 228429522 /nfs/dbraw/zinc/42/95/22/228429522.db2.gz HMQUSSQLIAWNFK-UHFFFAOYSA-N 0 0 302.337 3.105 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000246054433 228621965 /nfs/dbraw/zinc/62/19/65/228621965.db2.gz QKOOXLVLOCQZTM-MBNYWOFBSA-N 0 0 304.415 3.444 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C[C@H](C)O1 ZINC000246763742 228623986 /nfs/dbraw/zinc/62/39/86/228623986.db2.gz PPZUXOMTYJGLIS-OXIQGZBJSA-N 0 0 306.793 3.224 10 30 DGEERN Cc1nc(CN(C)C(=O)Nc2cnc3c(c2)CCCC3)cs1 ZINC000329476415 228945304 /nfs/dbraw/zinc/94/53/04/228945304.db2.gz UAULSYBHNOXEKD-UHFFFAOYSA-N 0 0 316.430 3.403 10 30 DGEERN Cc1nc([C@H]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C)C2)sc1C ZINC000330273416 228985709 /nfs/dbraw/zinc/98/57/09/228985709.db2.gz ZESGFDWMPXJNTC-KWCYVHTRSA-N 0 0 323.462 3.031 10 30 DGEERN C[C@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CCCNC1=O ZINC000330298918 228987305 /nfs/dbraw/zinc/98/73/05/228987305.db2.gz HREIMQCHBDDNDN-KEYYUXOJSA-N 0 0 302.374 3.230 10 30 DGEERN N#C[C@]1(c2nc(CCC3CCOCC3)no2)CC12CCCC2 ZINC000333861964 229039711 /nfs/dbraw/zinc/03/97/11/229039711.db2.gz RVUSEYJRFKLFHT-KRWDZBQOSA-N 0 0 301.390 3.154 10 30 DGEERN CN(C)C1(C#N)CCN(c2nc(C3CCCCC3)ns2)CC1 ZINC000333901074 229039932 /nfs/dbraw/zinc/03/99/32/229039932.db2.gz ZFTZQHYSVARRFM-UHFFFAOYSA-N 0 0 319.478 3.010 10 30 DGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358731936 229365639 /nfs/dbraw/zinc/36/56/39/229365639.db2.gz IRBAHQDFOGBNAM-QWRGUYRKSA-N 0 0 305.344 3.299 10 30 DGEERN CO[C@H](C)[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000359531425 229379131 /nfs/dbraw/zinc/37/91/31/229379131.db2.gz AQRACTGBBWPLJO-UONOGXRCSA-N 0 0 313.401 3.098 10 30 DGEERN N#C[C@H](C(=O)Nc1cccc(Br)c1)c1ccccn1 ZINC000359923910 229385714 /nfs/dbraw/zinc/38/57/14/229385714.db2.gz MCASNQQSKZMPKK-LBPRGKRZSA-N 0 0 316.158 3.090 10 30 DGEERN N#Cc1cccc(Cl)c1N1CCN(CC2CCCC2)C(=O)C1 ZINC000301839133 229932142 /nfs/dbraw/zinc/93/21/42/229932142.db2.gz ZKSJCTQKPRQGAG-UHFFFAOYSA-N 0 0 317.820 3.050 10 30 DGEERN COC1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000413424716 230221566 /nfs/dbraw/zinc/22/15/66/230221566.db2.gz XQLUTQZLNKJTMQ-UHFFFAOYSA-N 0 0 310.195 3.085 10 30 DGEERN C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCCN1C(=O)OC(C)(C)C ZINC000302436487 230244490 /nfs/dbraw/zinc/24/44/90/230244490.db2.gz PRJHTYYTXWOVNF-WFASDCNBSA-N 0 0 316.405 3.153 10 30 DGEERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000230344053 263843189 /nfs/dbraw/zinc/84/31/89/263843189.db2.gz VAOVOOIQBDVANB-STQMWFEESA-N 0 0 312.460 3.113 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCc2nccn2CC(F)(F)F)c1 ZINC000347411768 264216537 /nfs/dbraw/zinc/21/65/37/264216537.db2.gz RVEZFIGMXSREGS-UHFFFAOYSA-N 0 0 322.290 3.132 10 30 DGEERN Cc1ccc(-c2ocnc2C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000357395647 270003868 /nfs/dbraw/zinc/00/38/68/270003868.db2.gz QATDQJCBPFRWPX-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN N#Cc1csc(CNCc2cccc(Br)c2)n1 ZINC000352834927 265190064 /nfs/dbraw/zinc/19/00/64/265190064.db2.gz MIAAJZKFPONIRQ-UHFFFAOYSA-N 0 0 308.204 3.067 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000355440451 265625744 /nfs/dbraw/zinc/62/57/44/265625744.db2.gz ILNRQTKOLSATTN-UHFFFAOYSA-N 0 0 322.364 3.062 10 30 DGEERN CC[C@@H](C)[C@H](CNc1ncc(Br)cc1C#N)OC ZINC000362977174 266368030 /nfs/dbraw/zinc/36/80/30/266368030.db2.gz PFFIYWQGEWECOV-SKDRFNHKSA-N 0 0 312.211 3.189 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H](c2ccccc2)O1 ZINC000362914719 267043417 /nfs/dbraw/zinc/04/34/17/267043417.db2.gz YWNLKNCGYGSTHI-DOMZBBRYSA-N 0 0 312.394 3.222 10 30 DGEERN CCN(CCNC(=O)Cc1cccc(C#N)c1)c1ccccc1C ZINC000531150952 267064065 /nfs/dbraw/zinc/06/40/65/267064065.db2.gz CELCECQXOVIOSN-UHFFFAOYSA-N 0 0 321.424 3.052 10 30 DGEERN CCO[C@H]1C[C@H](NC(=O)Cc2cccc(C#N)c2)C1(CC)CC ZINC000530683103 267157163 /nfs/dbraw/zinc/15/71/63/267157163.db2.gz FZZCSLWUSDZGQC-IRXDYDNUSA-N 0 0 314.429 3.201 10 30 DGEERN CCSc1ccc([C@H](C)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448906614 267181761 /nfs/dbraw/zinc/18/17/61/267181761.db2.gz APDAECNSYCDCJM-LBPRGKRZSA-N 0 0 313.426 3.500 10 30 DGEERN CCS[C@H]1CC[C@H](N(C)C(=O)Cc2cccc(C#N)c2)C1 ZINC000531152877 267182034 /nfs/dbraw/zinc/18/20/34/267182034.db2.gz OOOKMYLIEMGFSV-HOTGVXAUSA-N 0 0 302.443 3.233 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000369651792 267390460 /nfs/dbraw/zinc/39/04/60/267390460.db2.gz AGMTWHXRSWVPEK-AWEZNQCLSA-N 0 0 322.412 3.457 10 30 DGEERN Cc1ccc([C@@H](Nc2ccncc2C#N)c2ccccn2)cc1 ZINC000368549375 267439628 /nfs/dbraw/zinc/43/96/28/267439628.db2.gz BWJZHACJTJOQHA-LJQANCHMSA-N 0 0 300.365 3.280 10 30 DGEERN CSCc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000525850998 267674267 /nfs/dbraw/zinc/67/42/67/267674267.db2.gz KWQZGHMHJUORFM-UHFFFAOYSA-N 0 0 310.422 3.280 10 30 DGEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000531390915 267879013 /nfs/dbraw/zinc/87/90/13/267879013.db2.gz MABYLKOVPCGUBE-KXBFYZLASA-N 0 0 320.392 3.089 10 30 DGEERN N#Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)nc2ccccc12 ZINC000390837507 268001554 /nfs/dbraw/zinc/00/15/54/268001554.db2.gz AULTVPYGUNMMNZ-KXBFYZLASA-N 0 0 307.397 3.238 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(OC3CCCC3)nc2)c1 ZINC000530913701 268277583 /nfs/dbraw/zinc/27/75/83/268277583.db2.gz HKTAQGJHDVFECZ-UHFFFAOYSA-N 0 0 321.380 3.456 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)s2)c1 ZINC000362519671 268296985 /nfs/dbraw/zinc/29/69/85/268296985.db2.gz NDVPSYICMQPJOA-ZJUUUORDSA-N 0 0 303.774 3.410 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(Br)s2)c1 ZINC000357399901 268297192 /nfs/dbraw/zinc/29/71/92/268297192.db2.gz LXSKVRCKJDJNEP-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000366658212 268302464 /nfs/dbraw/zinc/30/24/64/268302464.db2.gz YAHDZQIUIAYDCK-HAQNSBGRSA-N 0 0 300.358 3.435 10 30 DGEERN C=CCOc1ccccc1C=Cc1nc2cnccc2c(=O)[nH]1 ZINC000151472892 432248262 /nfs/dbraw/zinc/24/82/62/432248262.db2.gz QALGTQAGWOKETA-BQYQJAHWSA-N 0 0 305.337 3.053 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2ccc(OC(C)C)nn2)cc1 ZINC000191311193 432248575 /nfs/dbraw/zinc/24/85/75/432248575.db2.gz OHHHIUWFGCCVKI-UHFFFAOYSA-N 0 0 313.357 3.081 10 30 DGEERN COc1ccc(C[C@H]2CCCN(c3nc(C)cc(C#N)n3)C2)cc1 ZINC000367826431 271081582 /nfs/dbraw/zinc/08/15/82/271081582.db2.gz NQLSWKONWSQETI-MRXNPFEDSA-N 0 0 322.412 3.124 10 30 DGEERN C[C@H]1COC[C@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151504786 432252066 /nfs/dbraw/zinc/25/20/66/432252066.db2.gz ZMPDIXAJZBBPGL-STQMWFEESA-N 0 0 313.319 3.046 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014071 274310725 /nfs/dbraw/zinc/31/07/25/274310725.db2.gz FDQURPPWXREAPV-ZIAGYGMSSA-N 0 0 317.458 3.361 10 30 DGEERN CC(C)C[C@@H]1C[C@H](NC(=O)c2cn3ccnc3s2)CCO1 ZINC000329809175 275590790 /nfs/dbraw/zinc/59/07/90/275590790.db2.gz AYXBHQVMPALBPM-VXGBXAGGSA-N 0 0 307.419 3.294 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000274318201 275730157 /nfs/dbraw/zinc/73/01/57/275730157.db2.gz JUGBFDNQMHMOHK-DPCFLFMUSA-N 0 0 315.373 3.443 10 30 DGEERN C=CCn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@]1(C)CCCO1 ZINC000453443624 275749921 /nfs/dbraw/zinc/74/99/21/275749921.db2.gz RBSZZAYLAUMRGJ-GUYCJALGSA-N 0 0 316.405 3.280 10 30 DGEERN CC(C)c1nnc2n1CCN(CCCCC(C)(C)C#N)[C@@H]2C ZINC000365193493 276077095 /nfs/dbraw/zinc/07/70/95/276077095.db2.gz HULHPMYHFVHHBI-CQSZACIVSA-N 0 0 303.454 3.498 10 30 DGEERN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccnc(C#N)c1 ZINC000193527498 276528473 /nfs/dbraw/zinc/52/84/73/276528473.db2.gz VOWVCNAQMPNAGA-SFHVURJKSA-N 0 0 307.397 3.437 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171988734 276859685 /nfs/dbraw/zinc/85/96/85/276859685.db2.gz OVYLKXVEDIMMAO-AEFFLSMTSA-N 0 0 314.429 3.021 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000279850827 276875296 /nfs/dbraw/zinc/87/52/96/276875296.db2.gz TVYIYXWXLFEQKE-HYVNUMGLSA-N 0 0 303.377 3.301 10 30 DGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000329552059 277245086 /nfs/dbraw/zinc/24/50/86/277245086.db2.gz JQKZNMSFKHEHAW-FIXISWKDSA-N 0 0 309.410 3.376 10 30 DGEERN CO[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@@H]1C ZINC000190414069 277298039 /nfs/dbraw/zinc/29/80/39/277298039.db2.gz UXIKIPSDVKAIEN-GXTWGEPZSA-N 0 0 318.421 3.003 10 30 DGEERN C#CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184754677 277693021 /nfs/dbraw/zinc/69/30/21/277693021.db2.gz WKRLIOVNNPIBFZ-GXTWGEPZSA-N 0 0 312.196 3.211 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000368761507 277781501 /nfs/dbraw/zinc/78/15/01/277781501.db2.gz KZZITHPDYSXNGV-OWCLPIDISA-N 0 0 320.477 3.084 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1)OCC ZINC000357682530 277799753 /nfs/dbraw/zinc/79/97/53/277799753.db2.gz PNRJHBSMDIVHIY-AOIWGVFYSA-N 0 0 317.429 3.252 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCc2c(F)ccc(F)c21 ZINC000278939441 277805501 /nfs/dbraw/zinc/80/55/01/277805501.db2.gz FZWMSNDNWTWXNG-MLGOLLRUSA-N 0 0 307.340 3.225 10 30 DGEERN C=C(C)CCNc1ccc(Br)c(C(=O)OCC)n1 ZINC000603388303 430547985 /nfs/dbraw/zinc/54/79/85/430547985.db2.gz UVHORJGDAZHXRS-UHFFFAOYSA-N 0 0 313.195 3.399 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)CCOCC1 ZINC000424734391 277825626 /nfs/dbraw/zinc/82/56/26/277825626.db2.gz JUXBODNKPVZZDZ-HUUCEWRRSA-N 0 0 309.450 3.069 10 30 DGEERN Cc1cc(Br)cc(C)c1CNc1ccc(C#N)nn1 ZINC000611240172 430568514 /nfs/dbraw/zinc/56/85/14/430568514.db2.gz GFWMGILZIIRTKD-UHFFFAOYSA-N 0 0 317.190 3.340 10 30 DGEERN COc1cccc2ncnc(NCc3ccc(C#N)cc3F)c21 ZINC000611925879 430569746 /nfs/dbraw/zinc/56/97/46/430569746.db2.gz MBIAUCCTCZOLAI-UHFFFAOYSA-N 0 0 308.316 3.261 10 30 DGEERN C=CCN(CC=C)c1nnc([C@]2(C)CCCO2)n1CC(=C)C ZINC000453461276 277852851 /nfs/dbraw/zinc/85/28/51/277852851.db2.gz GDYFLVXFSRTRPL-KRWDZBQOSA-N 0 0 302.422 3.058 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617044879 430589930 /nfs/dbraw/zinc/58/99/30/430589930.db2.gz UOGSFJXYAPYNQK-IUODEOHRSA-N 0 0 310.401 3.077 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000459036212 277904545 /nfs/dbraw/zinc/90/45/45/277904545.db2.gz UDTBOGVDPLCHAL-IKGGRYGDSA-N 0 0 318.392 3.406 10 30 DGEERN C[C@H]1CCc2nc(NC(=O)CCc3ccnn3C)sc2C1 ZINC000329986256 278389137 /nfs/dbraw/zinc/38/91/37/278389137.db2.gz FAGANYHFBFQOCG-JTQLQIEISA-N 0 0 304.419 3.222 10 30 DGEERN Cc1nc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c(C)s1 ZINC000187120293 279070998 /nfs/dbraw/zinc/07/09/98/279070998.db2.gz KZJPYXFWMOXQQF-UHFFFAOYSA-N 0 0 312.398 3.158 10 30 DGEERN C[C@@H]1CN(C)c2ccccc2CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000301567336 288112282 /nfs/dbraw/zinc/11/22/82/288112282.db2.gz MNDKKDHJWSTXFS-CYBMUJFWSA-N 0 0 322.368 3.311 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC000177330852 279325891 /nfs/dbraw/zinc/32/58/91/279325891.db2.gz OAFGVIKCIJAGDA-UHFFFAOYSA-N 0 0 317.751 3.282 10 30 DGEERN N#Cc1cccc(/C=C/C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000109052391 431166532 /nfs/dbraw/zinc/16/65/32/431166532.db2.gz HAPHGTCVYXKZSN-MOEXGYKKSA-N 0 0 323.421 3.434 10 30 DGEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109085198 431169467 /nfs/dbraw/zinc/16/94/67/431169467.db2.gz CCOFVMMBAYSWCS-LSDHHAIUSA-N 0 0 312.319 3.256 10 30 DGEERN CC(C)C(=O)N1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000110101628 431182529 /nfs/dbraw/zinc/18/25/29/431182529.db2.gz DQFSCMHLJDKDAS-UHFFFAOYSA-N 0 0 305.809 3.271 10 30 DGEERN N#CCOc1ccc(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000110446719 431190177 /nfs/dbraw/zinc/19/01/77/431190177.db2.gz MOOWYGMEUNDHTO-HKUYNNGSSA-N 0 0 320.392 3.051 10 30 DGEERN COc1ccc(CCCCCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108827420 431157258 /nfs/dbraw/zinc/15/72/58/431157258.db2.gz PAKTVKDBUHHCLX-QGZVFWFLSA-N 0 0 300.402 3.216 10 30 DGEERN Fc1nc(F)c(F)c(-c2c(F)c(F)nc(F)c2F)c1F ZINC000103523477 279474488 /nfs/dbraw/zinc/47/44/88/279474488.db2.gz JOKKNKLCVFPMHP-UHFFFAOYSA-N 0 0 300.108 3.256 10 30 DGEERN N#Cc1c2c(sc1NC(=O)c1csc(Cl)n1)CCC2 ZINC000297853516 279498545 /nfs/dbraw/zinc/49/85/45/279498545.db2.gz MOMOCKGUBUFFQQ-UHFFFAOYSA-N 0 0 309.803 3.471 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(O)c(Cl)c1 ZINC000111667060 431232498 /nfs/dbraw/zinc/23/24/98/431232498.db2.gz IHEXLJHDQLJLBV-JTQLQIEISA-N 0 0 316.744 3.323 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000111717911 431236531 /nfs/dbraw/zinc/23/65/31/431236531.db2.gz JVALSNZLZDQZDM-QGZVFWFLSA-N 0 0 308.385 3.042 10 30 DGEERN C=CCN(C(=O)[C@@H](C)CCC)c1nc(C(=O)OCC)cs1 ZINC000112800455 431307665 /nfs/dbraw/zinc/30/76/65/431307665.db2.gz YOPQZBQNKPEEMP-NSHDSACASA-N 0 0 310.419 3.275 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C#N)C1CC1 ZINC000112908400 431315850 /nfs/dbraw/zinc/31/58/50/431315850.db2.gz FTJYWEKBPYYISU-UFBFGSQYSA-N 0 0 313.184 3.179 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nccn1C(F)F ZINC000073121960 431364020 /nfs/dbraw/zinc/36/40/20/431364020.db2.gz BNXKEYKPMYCHAA-UHFFFAOYSA-N 0 0 309.272 3.494 10 30 DGEERN C[C@H]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)C2)C1 ZINC000408105004 279752114 /nfs/dbraw/zinc/75/21/14/279752114.db2.gz GEUPTWOXFJEWPS-MEDUHNTESA-N 0 0 300.362 3.065 10 30 DGEERN N#C[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C1CC1 ZINC000114332692 431384314 /nfs/dbraw/zinc/38/43/14/431384314.db2.gz CWYLBIXRSHPKKQ-GOSISDBHSA-N 0 0 324.355 3.437 10 30 DGEERN C[C@@H]1C[C@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114686156 431403144 /nfs/dbraw/zinc/40/31/44/431403144.db2.gz WOCXOSNLEISDQK-CXAGYDPISA-N 0 0 306.365 3.275 10 30 DGEERN N#CCCN(Cc1ccccn1)C(=O)c1cccc2ncccc21 ZINC000114687427 431403920 /nfs/dbraw/zinc/40/39/20/431403920.db2.gz HEMZAXJKESMXRQ-UHFFFAOYSA-N 0 0 316.364 3.186 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116039442 431480395 /nfs/dbraw/zinc/48/03/95/431480395.db2.gz XCVTVDDIXMYZPW-ZFWWWQNUSA-N 0 0 310.353 3.282 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000075112797 431452966 /nfs/dbraw/zinc/45/29/66/431452966.db2.gz BRFYYOFXLFSDRI-AWEZNQCLSA-N 0 0 306.406 3.070 10 30 DGEERN Cc1sc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000116809522 431527075 /nfs/dbraw/zinc/52/70/75/431527075.db2.gz WDHKMKVIPSIBJX-YMTOWFKASA-N 0 0 307.375 3.167 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116039439 431481703 /nfs/dbraw/zinc/48/17/03/431481703.db2.gz XCVTVDDIXMYZPW-UKRRQHHQSA-N 0 0 310.353 3.282 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1cccn1C ZINC000075698918 431493829 /nfs/dbraw/zinc/49/38/29/431493829.db2.gz BARGZXOEPOWFCJ-YOEHRIQHSA-N 0 0 323.396 3.028 10 30 DGEERN N#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1 ZINC000012354040 431503992 /nfs/dbraw/zinc/50/39/92/431503992.db2.gz SSBDRFPTUIJDHD-UHFFFAOYSA-N 0 0 308.362 3.126 10 30 in-vivo DGEERN C=CCCCN(C)C(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000076650337 431558966 /nfs/dbraw/zinc/55/89/66/431558966.db2.gz GMAGABHADBYVGZ-GOSISDBHSA-N 0 0 314.429 3.165 10 30 DGEERN C=CCNC(=O)C1(c2ccc(NC(=O)CC(C)C)cc2)CCC1 ZINC000013350755 431553446 /nfs/dbraw/zinc/55/34/46/431553446.db2.gz AEMVGBINQQXGRU-UHFFFAOYSA-N 0 0 314.429 3.395 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000076485616 431553877 /nfs/dbraw/zinc/55/38/77/431553877.db2.gz OVTNGSBQUVCZHM-CZUORRHYSA-N 0 0 300.402 3.319 10 30 DGEERN C=CCCCN(C)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000076492462 431554253 /nfs/dbraw/zinc/55/42/53/431554253.db2.gz PPJHSMRIJIPQHF-SFHVURJKSA-N 0 0 312.413 3.375 10 30 DGEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C#N)cs1 ZINC000176938021 280023409 /nfs/dbraw/zinc/02/34/09/280023409.db2.gz RCTOSKXVGFHVRG-VIFPVBQESA-N 0 0 313.338 3.119 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000076949133 431564956 /nfs/dbraw/zinc/56/49/56/431564956.db2.gz TWSGIJGYLUABLE-UHFFFAOYSA-N 0 0 316.449 3.180 10 30 DGEERN C[C@H]1SCCN(C(=O)c2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000193298698 280089466 /nfs/dbraw/zinc/08/94/66/280089466.db2.gz GNEOFHYJEVNAHM-CXAGYDPISA-N 0 0 323.421 3.272 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117576275 431569336 /nfs/dbraw/zinc/56/93/36/431569336.db2.gz QJAGQWBENZOHQZ-KZULUSFZSA-N 0 0 323.348 3.427 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000077268698 431579044 /nfs/dbraw/zinc/57/90/44/431579044.db2.gz ITNGKHACAHYLQW-UHFFFAOYSA-N 0 0 315.417 3.317 10 30 DGEERN CC(=NN)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000029209390 431716616 /nfs/dbraw/zinc/71/66/16/431716616.db2.gz BLCCOLRDDAFDFN-UDWIEESQSA-N 0 0 304.353 3.199 10 30 DGEERN Cc1ccc(CN(C(=O)c2cc(C#N)cn2C)C2CC2)cc1C ZINC000081548072 431792503 /nfs/dbraw/zinc/79/25/03/431792503.db2.gz QOQGAJUCXHOAAJ-UHFFFAOYSA-N 0 0 307.397 3.318 10 30 DGEERN C[C@H]1C[C@]12c1c(c3c(c4c1S(=O)(=O)O[C@H](C)C4)[C@H](C)C3)[C@H]2C ZINC000033649340 431813646 /nfs/dbraw/zinc/81/36/46/431813646.db2.gz FODHIQQNHOPUKH-DUMZZBOSSA-N 0 0 318.438 3.391 10 30 DGEERN N#Cc1csc(C(=O)NCCCCOCc2ccccc2)c1 ZINC000084089315 431813648 /nfs/dbraw/zinc/81/36/48/431813648.db2.gz AJVPXGYCQFFCST-UHFFFAOYSA-N 0 0 314.410 3.347 10 30 DGEERN CC[C@@H](C#N)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000121352222 431774539 /nfs/dbraw/zinc/77/45/39/431774539.db2.gz PFNKKKQOUDZAIB-GWCFXTLKSA-N 0 0 309.207 3.361 10 30 DGEERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(C#N)cn1C ZINC000081001582 431784288 /nfs/dbraw/zinc/78/42/88/431784288.db2.gz SWPKJEVBPRRBNA-NSHDSACASA-N 0 0 301.777 3.383 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000122903457 431847955 /nfs/dbraw/zinc/84/79/55/431847955.db2.gz JPPAIZBXBPHGHX-NSHDSACASA-N 0 0 314.788 3.432 10 30 DGEERN N#CC1(NC(=O)c2ccc(Br)cc2F)CCCC1 ZINC000040216371 431857060 /nfs/dbraw/zinc/85/70/60/431857060.db2.gz GLVQDDFXLUABIH-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000123303462 431860876 /nfs/dbraw/zinc/86/08/76/431860876.db2.gz OVMYBXMFVLCUDT-KRWDZBQOSA-N 0 0 319.408 3.266 10 30 DGEERN COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000035003256 431822273 /nfs/dbraw/zinc/82/22/73/431822273.db2.gz NQVZORVVVPBZBJ-YBEGLDIGSA-N 0 0 301.302 3.058 10 30 DGEERN Cc1cnn(-c2ccncc2NC(=O)c2ccc(C#N)cc2C)c1 ZINC000123708169 431872481 /nfs/dbraw/zinc/87/24/81/431872481.db2.gz ZNJPIHFDZMRTEG-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093140417 431912986 /nfs/dbraw/zinc/91/29/86/431912986.db2.gz LCUQUHNGHVQWQC-SNVBAGLBSA-N 0 0 302.827 3.354 10 30 DGEERN COc1ccc2nc(C(=O)C(C#N)c3ccccn3)ccc2c1 ZINC000093244519 431914379 /nfs/dbraw/zinc/91/43/79/431914379.db2.gz KNCLMZHCRYHWMT-AWEZNQCLSA-N 0 0 303.321 3.128 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000125257043 431919179 /nfs/dbraw/zinc/91/91/79/431919179.db2.gz PLCQRALCBYZSKT-GOEBONIOSA-N 0 0 324.428 3.152 10 30 DGEERN C[C@]12O[C@H]1[C@H](c1ccccc1)c1c(=O)oc3ccccc3c1O2 ZINC000044699713 431876715 /nfs/dbraw/zinc/87/67/15/431876715.db2.gz UWQGTFVNMFSCJN-LJHODMEESA-N 0 0 306.317 3.432 10 30 in-vitro DGEERN CCn1cc(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)cn1 ZINC000124468804 431894460 /nfs/dbraw/zinc/89/44/60/431894460.db2.gz NZTHRHPVSIVKIL-UHFFFAOYSA-N 0 0 322.412 3.103 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)c2cc[nH]c2)cc1 ZINC000091101392 431902990 /nfs/dbraw/zinc/90/29/90/431902990.db2.gz NBZXCWXWELAALJ-UHFFFAOYSA-N 0 0 301.349 3.483 10 30 DGEERN CCc1ccc([C@H]2CCCCN2CC(=O)N(CC)CCC#N)o1 ZINC000124838671 431905744 /nfs/dbraw/zinc/90/57/44/431905744.db2.gz QFYROJKAZFOPBE-MRXNPFEDSA-N 0 0 317.433 3.131 10 30 DGEERN COCc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)o1 ZINC000097698040 431973125 /nfs/dbraw/zinc/97/31/25/431973125.db2.gz ZOJXKNFBUJLXPJ-UHFFFAOYSA-N 0 0 314.341 3.337 10 30 DGEERN Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000048652232 431929146 /nfs/dbraw/zinc/92/91/46/431929146.db2.gz MQSXKSWVWSLAJF-UHFFFAOYSA-N 0 0 306.774 3.321 10 30 DGEERN CCCC(C#N)(CCC)NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000126268252 431946163 /nfs/dbraw/zinc/94/61/63/431946163.db2.gz SEOAIAJFWXGYAZ-UHFFFAOYSA-N 0 0 320.437 3.278 10 30 DGEERN COc1ccc(NCc2ccc(C#N)s2)c(OC)c1OC ZINC000126255593 431946487 /nfs/dbraw/zinc/94/64/87/431946487.db2.gz FLHPABCKQJQUFV-UHFFFAOYSA-N 0 0 304.371 3.258 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000127116600 431964678 /nfs/dbraw/zinc/96/46/78/431964678.db2.gz BWGKVAHWZCGEQQ-MRXNPFEDSA-N 0 0 304.434 3.160 10 30 DGEERN C=CCCOCCNC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000127354185 431969728 /nfs/dbraw/zinc/96/97/28/431969728.db2.gz IMORQEGHUYSJMY-UHFFFAOYSA-N 0 0 314.788 3.213 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1c(F)cc(C#N)cc1F ZINC000127854450 431982396 /nfs/dbraw/zinc/98/23/96/431982396.db2.gz QAVVERUZUJQGMY-UHFFFAOYSA-N 0 0 304.218 3.027 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000128353344 431991983 /nfs/dbraw/zinc/99/19/83/431991983.db2.gz BKYTWFNTZPIRDG-AEFFLSMTSA-N 0 0 315.461 3.115 10 30 DGEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1SCCC#N ZINC000191475784 432269135 /nfs/dbraw/zinc/26/91/35/432269135.db2.gz ZTNHRMBTAIKLSD-OLZOCXBDSA-N 0 0 304.415 3.446 10 30 DGEERN COc1cc(C#N)ccc1O[C@H](C)c1nc(C(C)(C)C)no1 ZINC000248128650 432270579 /nfs/dbraw/zinc/27/05/79/432270579.db2.gz IKOGRVQORCXJAO-SNVBAGLBSA-N 0 0 301.346 3.387 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000173411673 432277451 /nfs/dbraw/zinc/27/74/51/432277451.db2.gz BCMAOFHYQUULOM-HNNXBMFYSA-N 0 0 311.410 3.343 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152012813 432296177 /nfs/dbraw/zinc/29/61/77/432296177.db2.gz NTUAWTPUDRGTSH-ACJLOTCBSA-N 0 0 324.355 3.300 10 30 DGEERN Cc1ccccc1[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173793303 432299246 /nfs/dbraw/zinc/29/92/46/432299246.db2.gz GTWQZUNZUDBRHH-HNNXBMFYSA-N 0 0 323.396 3.306 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000152056340 432300237 /nfs/dbraw/zinc/30/02/37/432300237.db2.gz RFKHHWKOAKSREH-AWEZNQCLSA-N 0 0 310.394 3.041 10 30 DGEERN C=CCNc1ncc(C(=O)NCCCc2cccc(F)c2)s1 ZINC000128809926 432000492 /nfs/dbraw/zinc/00/04/92/432000492.db2.gz LRVNNNRMMTZZTK-UHFFFAOYSA-N 0 0 319.405 3.243 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174068062 432318392 /nfs/dbraw/zinc/31/83/92/432318392.db2.gz KMVNNXAOCURCCN-UHFFFAOYSA-N 0 0 323.371 3.414 10 30 DGEERN Cc1[nH]c2ccccc2c1C(=O)NCCOc1ccc(C#N)cc1 ZINC000174155089 432324660 /nfs/dbraw/zinc/32/46/60/432324660.db2.gz QQFXLZYTWBTUSR-UHFFFAOYSA-N 0 0 319.364 3.157 10 30 DGEERN O[C@H]1C[C@H](c2cc(F)ccc2F)N(CC#Cc2ccccc2)C1 ZINC000192125613 432335011 /nfs/dbraw/zinc/33/50/11/432335011.db2.gz IVXXRQNLWQTVFI-QFBILLFUSA-N 0 0 313.347 3.124 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173883295 432306917 /nfs/dbraw/zinc/30/69/17/432306917.db2.gz GUGHEVDELRGPCP-RBUKOAKNSA-N 0 0 320.392 3.165 10 30 DGEERN Cc1ccccc1C1(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000173906363 432307444 /nfs/dbraw/zinc/30/74/44/432307444.db2.gz ACWGCCVOYGRXAZ-UHFFFAOYSA-N 0 0 320.392 3.094 10 30 DGEERN C[C@H](NC(=O)c1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000173925836 432309024 /nfs/dbraw/zinc/30/90/24/432309024.db2.gz LKCNWXXFWWBHRB-LBPRGKRZSA-N 0 0 322.393 3.296 10 30 DGEERN CCCC[C@@H](NC(=O)c1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000183625608 432309414 /nfs/dbraw/zinc/30/94/14/432309414.db2.gz ZKHQZELXWZARHI-GFCCVEGCSA-N 0 0 322.430 3.250 10 30 DGEERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000183620329 432309744 /nfs/dbraw/zinc/30/97/44/432309744.db2.gz FNWIXMDQTLYVGN-GOSISDBHSA-N 0 0 319.408 3.299 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccnc(C#N)c1 ZINC000248667024 432311101 /nfs/dbraw/zinc/31/11/01/432311101.db2.gz OWNGIMGWHWETGL-HBUWYVDXSA-N 0 0 305.381 3.360 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)C2CCCCCC2)cn1 ZINC000183657335 432313343 /nfs/dbraw/zinc/31/33/43/432313343.db2.gz OBFYMPOLQJJIPO-UHFFFAOYSA-N 0 0 309.373 3.048 10 30 DGEERN CC(C)CC(C)(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183667423 432314364 /nfs/dbraw/zinc/31/43/64/432314364.db2.gz SXZZKYWCONDRTG-UHFFFAOYSA-N 0 0 311.389 3.150 10 30 DGEERN COc1ccc(COc2ccccc2NC(=O)C2CC2)cc1C#N ZINC000153336374 432400525 /nfs/dbraw/zinc/40/05/25/432400525.db2.gz YJCDUTIDMWTCGX-UHFFFAOYSA-N 0 0 322.364 3.494 10 30 DGEERN CCc1ccc(C=NNS(=O)(=O)c2ccc(CC)cc2)s1 ZINC000254394742 432402543 /nfs/dbraw/zinc/40/25/43/432402543.db2.gz OUPBCBFVONDLNU-UHFFFAOYSA-N 0 0 322.455 3.185 10 30 DGEERN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccnc(C#N)c2)c1 ZINC000192714038 432403711 /nfs/dbraw/zinc/40/37/11/432403711.db2.gz DOQOGOOVZPIUPW-ZDUSSCGKSA-N 0 0 309.369 3.231 10 30 DGEERN CSc1nncn1N=Cc1ccc(COc2ccccc2)o1 ZINC000254835250 432404755 /nfs/dbraw/zinc/40/47/55/432404755.db2.gz DMEGVMNENZQYDJ-UHFFFAOYSA-N 0 0 314.370 3.054 10 30 DGEERN NS(=O)(=O)c1ccc(N=Cc2ccc3ccccc3c2)cc1 ZINC000254752367 432404838 /nfs/dbraw/zinc/40/48/38/432404838.db2.gz TZBZWVWKSQXYNX-UHFFFAOYSA-N 0 0 310.378 3.238 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)[C@H](C)CO ZINC000250999264 432367838 /nfs/dbraw/zinc/36/78/38/432367838.db2.gz PALIBQUNQFMPAA-JHJVBQTASA-N 0 0 321.446 3.077 10 30 DGEERN C=CCN(Cc1cc(-c2cnn(C)c2)no1)Cc1cccs1 ZINC000184972591 432450186 /nfs/dbraw/zinc/45/01/86/432450186.db2.gz RMEILNNDCPWUAI-UHFFFAOYSA-N 0 0 314.414 3.325 10 30 DGEERN CC(C)CC(=O)N1CCC(COc2ccc(C#N)cc2F)CC1 ZINC000185008660 432455700 /nfs/dbraw/zinc/45/57/00/432455700.db2.gz XRVCVSCLIGZIME-UHFFFAOYSA-N 0 0 318.392 3.361 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000193166288 432456058 /nfs/dbraw/zinc/45/60/58/432456058.db2.gz AECIIYXJISTGAQ-NVXWUHKLSA-N 0 0 314.429 3.032 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000175239978 432413886 /nfs/dbraw/zinc/41/38/86/432413886.db2.gz JMRBOUJONNVEKQ-HNNXBMFYSA-N 0 0 323.396 3.306 10 30 DGEERN C[C@H](NCc1ccc(C#N)s1)c1cn(-c2ccccc2)nn1 ZINC000154105633 432472925 /nfs/dbraw/zinc/47/29/25/432472925.db2.gz NMDRRKKUIRMYRT-LBPRGKRZSA-N 0 0 309.398 3.051 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000175966151 432481770 /nfs/dbraw/zinc/48/17/70/432481770.db2.gz JXLUSXIPRQNZBR-KRWDZBQOSA-N 0 0 307.397 3.307 10 30 DGEERN CCC1(CC)CN([C@@H](C)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000185263235 432483784 /nfs/dbraw/zinc/48/37/84/432483784.db2.gz VSGBZQHKIZRCAW-QKKBWIMNSA-N 0 0 304.459 3.242 10 30 DGEERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176267620 432505274 /nfs/dbraw/zinc/50/52/74/432505274.db2.gz FIUKJFHNMTYJDK-CQSZACIVSA-N 0 0 320.824 3.160 10 30 DGEERN N#Cc1cccc(NC(=O)NCCc2cc(F)ccc2F)c1 ZINC000176263032 432506018 /nfs/dbraw/zinc/50/60/18/432506018.db2.gz NZBQCQLELCVZIE-UHFFFAOYSA-N 0 0 301.296 3.201 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000185541607 432510403 /nfs/dbraw/zinc/51/04/03/432510403.db2.gz NEZYRZFNFZBEIA-GJZGRUSLSA-N 0 0 308.397 3.149 10 30 DGEERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282936 432462608 /nfs/dbraw/zinc/46/26/08/432462608.db2.gz OZEMLVNTYMBNFP-NEPJUHHUSA-N 0 0 315.373 3.347 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCc2c(C(=O)OC)cccc21 ZINC000185131200 432470844 /nfs/dbraw/zinc/47/08/44/432470844.db2.gz VOEIUCOEDLFTRY-CYBMUJFWSA-N 0 0 301.386 3.355 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@H]2OC)nc2ccccc2c1=O ZINC000273093965 432549808 /nfs/dbraw/zinc/54/98/08/432549808.db2.gz JEFLKQSMHAMORK-CABCVRRESA-N 0 0 316.426 3.242 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000185967154 432550207 /nfs/dbraw/zinc/55/02/07/432550207.db2.gz IAIONFYTOKQURN-INIZCTEOSA-N 0 0 303.377 3.084 10 30 DGEERN CC#CCCCC(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000185615147 432517231 /nfs/dbraw/zinc/51/72/31/432517231.db2.gz GSIPGRFTNCLRPM-UHFFFAOYSA-N 0 0 308.385 3.481 10 30 DGEERN CCCN(Cc1nnc(C)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000154886401 432526500 /nfs/dbraw/zinc/52/65/00/432526500.db2.gz VPABJVMAEWGOTO-UHFFFAOYSA-N 0 0 309.417 3.205 10 30 DGEERN CCN(Cc1nnc(C)n1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000154899966 432527091 /nfs/dbraw/zinc/52/70/91/432527091.db2.gz BRGIWYRGRPOUFO-CYBMUJFWSA-N 0 0 309.417 3.376 10 30 DGEERN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(C#N)cn1C ZINC000176499109 432529734 /nfs/dbraw/zinc/52/97/34/432529734.db2.gz IAPZWVHJCYXZBC-UHFFFAOYSA-N 0 0 322.195 3.476 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000185885462 432540968 /nfs/dbraw/zinc/54/09/68/432540968.db2.gz VZQBLRMRISNBRC-WMLDXEAASA-N 0 0 303.402 3.197 10 30 DGEERN C[C@H]1COCC[C@H]1C(=O)Nc1ccccc1SCCC#N ZINC000194317785 432541518 /nfs/dbraw/zinc/54/15/18/432541518.db2.gz AHILEPCUGNZWRZ-QWHCGFSZSA-N 0 0 304.415 3.303 10 30 DGEERN C=CCCOCCNC(=O)c1sc(C2CCCC2)nc1C ZINC000155213147 432543178 /nfs/dbraw/zinc/54/31/78/432543178.db2.gz MCWFBGJGBKTYIG-UHFFFAOYSA-N 0 0 308.447 3.432 10 30 DGEERN C=C[C@@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000156728577 432605871 /nfs/dbraw/zinc/60/58/71/432605871.db2.gz FBIDYHSRNZNOKK-ZDUSSCGKSA-N 0 0 322.364 3.316 10 30 DGEERN COc1cc(OC(=O)[C@H]2Oc3ccccc3[C@H]2C)ccc1C#N ZINC000195159467 432609138 /nfs/dbraw/zinc/60/91/38/432609138.db2.gz DVIMMHXZBXERFG-DIFFPNOSSA-N 0 0 309.321 3.037 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(C)c1C ZINC000195150199 432609690 /nfs/dbraw/zinc/60/96/90/432609690.db2.gz WKYHUSMGRYYYTJ-UHFFFAOYSA-N 0 0 313.357 3.070 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186329642 432583361 /nfs/dbraw/zinc/58/33/61/432583361.db2.gz RIPXOGJRKIXVFC-SNVBAGLBSA-N 0 0 322.714 3.417 10 30 DGEERN C=CC[C@@H](C)[C@@H](C)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000186655551 432619824 /nfs/dbraw/zinc/61/98/24/432619824.db2.gz CGRVBJPIMGOPNA-CHWSQXEVSA-N 0 0 308.447 3.021 10 30 DGEERN N#C[C@@H](NC(=O)CC1(CSc2ccccc2)CC1)C1CC1 ZINC000186673530 432621466 /nfs/dbraw/zinc/62/14/66/432621466.db2.gz TWBYMQUSQRKVFL-OAHLLOKOSA-N 0 0 300.427 3.367 10 30 DGEERN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(C#N)cn2C)s1 ZINC000177446146 432625580 /nfs/dbraw/zinc/62/55/80/432625580.db2.gz FEFIZHDEGICFNS-NSHDSACASA-N 0 0 316.430 3.057 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000186758485 432628787 /nfs/dbraw/zinc/62/87/87/432628787.db2.gz LMOJAVQPOWOZKY-IAGOWNOFSA-N 0 0 302.418 3.154 10 30 DGEERN C=C(C)CN(CC)C(=O)CSc1ccc(C(F)(F)F)nn1 ZINC000186933921 432638453 /nfs/dbraw/zinc/63/84/53/432638453.db2.gz HUACCMAJOYRFTK-UHFFFAOYSA-N 0 0 319.352 3.012 10 30 DGEERN C=CCOc1ccc(CN2CCN(c3ccccc3O)CC2)cc1 ZINC000158518814 432648291 /nfs/dbraw/zinc/64/82/91/432648291.db2.gz VCBLRPHLEOSPBX-UHFFFAOYSA-N 0 0 324.424 3.279 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000187287601 432655669 /nfs/dbraw/zinc/65/56/69/432655669.db2.gz CURJMFCXFUESFJ-UHFFFAOYSA-N 0 0 312.417 3.125 10 30 DGEERN Cc1ccc([C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)o1 ZINC000158839934 432660555 /nfs/dbraw/zinc/66/05/55/432660555.db2.gz ADBIXGGUHLEBAK-LJQANCHMSA-N 0 0 321.380 3.286 10 30 DGEERN Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C#N)cc2)c1 ZINC000219309841 432662867 /nfs/dbraw/zinc/66/28/67/432662867.db2.gz FTRBRYRFZUJUIR-UHFFFAOYSA-N 0 0 305.337 3.040 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000274398513 432663322 /nfs/dbraw/zinc/66/33/22/432663322.db2.gz PUZYBFZDBHUFJW-ZIAGYGMSSA-N 0 0 321.442 3.151 10 30 DGEERN CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177800849 432663868 /nfs/dbraw/zinc/66/38/68/432663868.db2.gz WWAPRPOIMKUOLV-QGZVFWFLSA-N 0 0 323.352 3.276 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000274426725 432666068 /nfs/dbraw/zinc/66/60/68/432666068.db2.gz HJSMFVPBMCIDQY-UHFFFAOYSA-N 0 0 317.389 3.010 10 30 DGEERN N#CCCN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cccnc1 ZINC000159079577 432668111 /nfs/dbraw/zinc/66/81/11/432668111.db2.gz UPGGMRWEZDRAAP-UHFFFAOYSA-N 0 0 317.396 3.388 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CN(CC)CCO1 ZINC000188073331 432701802 /nfs/dbraw/zinc/70/18/02/432701802.db2.gz XNJPAAAFUFBGBP-QGZVFWFLSA-N 0 0 316.445 3.198 10 30 DGEERN N#Cc1ccc(F)c(CNc2ccccc2C(=O)NC2CC2)c1 ZINC000178234171 432710755 /nfs/dbraw/zinc/71/07/55/432710755.db2.gz NSPPIFLNBKLHME-UHFFFAOYSA-N 0 0 309.344 3.202 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188196618 432711814 /nfs/dbraw/zinc/71/18/14/432711814.db2.gz VZABVPVNPGUXHU-INIZCTEOSA-N 0 0 302.418 3.342 10 30 DGEERN N#Cc1ccc(CN(C(=O)c2cn3ccnc3s2)C2CC2)cc1 ZINC000188269700 432714332 /nfs/dbraw/zinc/71/43/32/432714332.db2.gz NUBUIHNZOMDZRZ-UHFFFAOYSA-N 0 0 322.393 3.072 10 30 DGEERN CCOc1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188291079 432716368 /nfs/dbraw/zinc/71/63/68/432716368.db2.gz FFNLXBJHKUCZGG-UHFFFAOYSA-N 0 0 320.392 3.305 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160468566 432723562 /nfs/dbraw/zinc/72/35/62/432723562.db2.gz DHKIOYDFNAFPDQ-NWDGAFQWSA-N 0 0 311.307 3.342 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(C(C)(F)F)c1 ZINC000187572607 432671379 /nfs/dbraw/zinc/67/13/79/432671379.db2.gz OOYNRSYTBVWEEP-OAHLLOKOSA-N 0 0 309.360 3.265 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCN(C(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000274476330 432672213 /nfs/dbraw/zinc/67/22/13/432672213.db2.gz OQYBSZRRYFBDBV-CVEARBPZSA-N 0 0 320.477 3.298 10 30 DGEERN CO[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[C@H]1C ZINC000187670908 432676085 /nfs/dbraw/zinc/67/60/85/432676085.db2.gz DQIIDUYTOUKYPX-HYVNUMGLSA-N 0 0 315.417 3.098 10 30 DGEERN CCCCCCCCCCCCC(=O)N[C@@H](O)C(=O)OCC ZINC000224191883 432681948 /nfs/dbraw/zinc/68/19/48/432681948.db2.gz ZDZJXNMZYZBPSM-INIZCTEOSA-N 0 0 315.454 3.295 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1n[nH]c(CC)c1Br ZINC000274590313 432685798 /nfs/dbraw/zinc/68/57/98/432685798.db2.gz JTUUJXTYFKSKSD-QMMMGPOBSA-N 0 0 300.200 3.275 10 30 DGEERN Cc1nc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c(C)s1 ZINC000178512073 432747416 /nfs/dbraw/zinc/74/74/16/432747416.db2.gz YCWMWPGXAGDFAY-UHFFFAOYSA-N 0 0 323.324 3.485 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178582506 432755995 /nfs/dbraw/zinc/75/59/95/432755995.db2.gz PPPDTSKPURFXRD-MAUKXSAKSA-N 0 0 313.401 3.026 10 30 DGEERN Cc1cc(S(=O)(=O)N[C@H](C#N)C2CCCCC2)c(C)s1 ZINC000161144548 432760959 /nfs/dbraw/zinc/76/09/59/432760959.db2.gz ARZASDIMKUOHLZ-CYBMUJFWSA-N 0 0 312.460 3.116 10 30 DGEERN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)CCCCC#N)o1 ZINC000173717730 288551841 /nfs/dbraw/zinc/55/18/41/288551841.db2.gz NARDKHXMNDBQFU-HNNXBMFYSA-N 0 0 324.446 3.393 10 30 DGEERN Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2F)c(C)s1 ZINC000178810763 432779306 /nfs/dbraw/zinc/77/93/06/432779306.db2.gz YWHVCFYAGGQSCU-UHFFFAOYSA-N 0 0 310.375 3.177 10 30 DGEERN C=CC[C@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)c1ccccc1 ZINC000188469315 432727779 /nfs/dbraw/zinc/72/77/79/432727779.db2.gz IXBPAQQPCLLPDT-AWEZNQCLSA-N 0 0 321.384 3.109 10 30 DGEERN CC1(C)CN(C(=O)NCCCCC#N)CC[C@H]1C(F)(F)F ZINC000188593329 432733730 /nfs/dbraw/zinc/73/37/30/432733730.db2.gz BYTBDPFWQCKKEE-LLVKDONJSA-N 0 0 305.344 3.300 10 30 DGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162771510 432833775 /nfs/dbraw/zinc/83/37/75/432833775.db2.gz OPHWIIQYDRWEQI-BXKDBHETSA-N 0 0 324.178 3.139 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000277288777 432834894 /nfs/dbraw/zinc/83/48/94/432834894.db2.gz CSZALYSYZWGMMV-UHFFFAOYSA-N 0 0 305.377 3.127 10 30 DGEERN N#C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)C1CC1 ZINC000161766955 432796654 /nfs/dbraw/zinc/79/66/54/432796654.db2.gz AAFJPBPIKJUERA-LBPRGKRZSA-N 0 0 301.733 3.027 10 30 DGEERN C[C@@H]1C[C@H](CC(=O)N[C@H]2COC[C@H]2n2ccnn2)CC(C)(C)C1 ZINC000329108395 288684080 /nfs/dbraw/zinc/68/40/80/288684080.db2.gz FPOAIRBTOGONHT-APIJFGDWSA-N 0 0 320.437 3.027 10 30 DGEERN COc1cc(C2(C(=O)N[C@@H](C#N)C3CC3)CCCC2)ccc1C ZINC000161933627 432804027 /nfs/dbraw/zinc/80/40/27/432804027.db2.gz VQYPFDLNNGALNF-INIZCTEOSA-N 0 0 312.413 3.234 10 30 DGEERN COc1ccc2[nH]c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2c1 ZINC000277564515 432861772 /nfs/dbraw/zinc/86/17/72/432861772.db2.gz PULTXAPOBICKAH-INIZCTEOSA-N 0 0 311.385 3.331 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245952585 432872478 /nfs/dbraw/zinc/87/24/78/432872478.db2.gz BIKXSIFBVNKFMF-CDHQVMDDSA-N 0 0 322.408 3.054 10 30 DGEERN C#CCC(CC#C)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000277832254 432877953 /nfs/dbraw/zinc/87/79/53/432877953.db2.gz XNMSRGHRPPMXJY-UHFFFAOYSA-N 0 0 301.817 3.397 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000288089225 432885813 /nfs/dbraw/zinc/88/58/13/432885813.db2.gz RAMDZNPITIDSAR-CXAGYDPISA-N 0 0 317.816 3.195 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCCc2c(O)cccc21 ZINC000330017219 432889152 /nfs/dbraw/zinc/88/91/52/432889152.db2.gz QSBQSKASIBEEOU-BFYDXBDKSA-N 0 0 301.386 3.336 10 30 DGEERN Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc(C2CC2)cc1 ZINC000330061538 432891379 /nfs/dbraw/zinc/89/13/79/432891379.db2.gz OKSXCEZLPNAWFD-QGZVFWFLSA-N 0 0 324.428 3.379 10 30 DGEERN CC1(C)CCCN(C(=O)c2n[nH]c3ccc(Cl)cc32)[C@H]1C#N ZINC000288569266 432894393 /nfs/dbraw/zinc/89/43/93/432894393.db2.gz WJCFTZLQUKSDEY-ZDUSSCGKSA-N 0 0 316.792 3.371 10 30 DGEERN COc1c(Cl)cccc1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330150500 432895357 /nfs/dbraw/zinc/89/53/57/432895357.db2.gz VTAUZNQCUJZKKO-CYBMUJFWSA-N 0 0 310.781 3.005 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCc2nccn2CC)c1 ZINC000296569443 432923347 /nfs/dbraw/zinc/92/33/47/432923347.db2.gz SSYBXNXQURYYHM-UHFFFAOYSA-N 0 0 314.389 3.180 10 30 DGEERN C=CCC[C@H](NC(=O)NCc1nccn1CC)c1ccccc1 ZINC000296596309 432924470 /nfs/dbraw/zinc/92/44/70/432924470.db2.gz VXFKURXZUIIJDT-INIZCTEOSA-N 0 0 312.417 3.410 10 30 DGEERN Cc1nc(C)c(C#N)c(S[C@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000330750652 432925640 /nfs/dbraw/zinc/92/56/40/432925640.db2.gz YVBUFZZYMZGTSB-SECBINFHSA-N 0 0 317.418 3.499 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CC)Cc2ccc(OC)cc2)cc1 ZINC000296724530 432926170 /nfs/dbraw/zinc/92/61/70/432926170.db2.gz JMQYESIIVAAXFC-UHFFFAOYSA-N 0 0 322.408 3.408 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc2cnccc2c1 ZINC000296817455 432928233 /nfs/dbraw/zinc/92/82/33/432928233.db2.gz GSEIBTVBZZIUOC-WBVHZDCISA-N 0 0 311.385 3.338 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000296901453 432937022 /nfs/dbraw/zinc/93/70/22/432937022.db2.gz OILPNGCWLSXQJW-UHFFFAOYSA-N 0 0 319.408 3.152 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H]1CCSC1 ZINC000289306193 432943118 /nfs/dbraw/zinc/94/31/18/432943118.db2.gz ABHXGMFODOGAQN-CYBMUJFWSA-N 0 0 318.446 3.283 10 30 DGEERN C=CC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000297009938 432948850 /nfs/dbraw/zinc/94/88/50/432948850.db2.gz GJVYPZQNCLAGSH-LSDHHAIUSA-N 0 0 308.372 3.038 10 30 DGEERN CC[C@@H]1CCC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000330204796 432896934 /nfs/dbraw/zinc/89/69/34/432896934.db2.gz BXIWMMLMAHVUOS-TZMCWYRMSA-N 0 0 303.406 3.028 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000330249059 432900093 /nfs/dbraw/zinc/90/00/93/432900093.db2.gz ZROHVTLYPKLVNN-NVXWUHKLSA-N 0 0 303.402 3.489 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000278761988 432900914 /nfs/dbraw/zinc/90/09/14/432900914.db2.gz KFZAPTWUHHXOTI-BDJLRTHQSA-N 0 0 319.788 3.389 10 30 DGEERN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000330285910 432901942 /nfs/dbraw/zinc/90/19/42/432901942.db2.gz ZKHXFCYEXTXYRZ-BRWVUGGUSA-N 0 0 316.449 3.230 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 ZINC000330348511 432904262 /nfs/dbraw/zinc/90/42/62/432904262.db2.gz IUINZJVIRATXBK-KBUPBQIOSA-N 0 0 304.438 3.258 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000278853598 432909115 /nfs/dbraw/zinc/90/91/15/432909115.db2.gz XNQKUAMBJVKELB-RBSFLKMASA-N 0 0 304.777 3.002 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@@H]3C(C)C)n2)c1 ZINC000288999802 432911273 /nfs/dbraw/zinc/91/12/73/432911273.db2.gz SUTSXNNBXRSPFV-HUUCEWRRSA-N 0 0 311.385 3.412 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H]1CC ZINC000289623724 432969122 /nfs/dbraw/zinc/96/91/22/432969122.db2.gz KBHUBJJNMABKSR-INIZCTEOSA-N 0 0 311.433 3.219 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N(CC)C1CC1 ZINC000289680639 432971801 /nfs/dbraw/zinc/97/18/01/432971801.db2.gz NGPRPTCXASBPPG-UHFFFAOYSA-N 0 0 312.417 3.074 10 30 DGEERN C=CCCCNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000279471139 432973771 /nfs/dbraw/zinc/97/37/71/432973771.db2.gz GFIILVDYLXQCTD-XJKSGUPXSA-N 0 0 306.381 3.263 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000156186649 292725619 /nfs/dbraw/zinc/72/56/19/292725619.db2.gz OYHIXJCNUOLGSK-SNVBAGLBSA-N 0 0 324.789 3.153 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000280690120 433138581 /nfs/dbraw/zinc/13/85/81/433138581.db2.gz FPSITSGKDIMFIC-WMLDXEAASA-N 0 0 310.401 3.240 10 30 DGEERN C=CCCCCCN1CCc2c(sc3ncnc(N)c23)C1 ZINC000373231589 433139846 /nfs/dbraw/zinc/13/98/46/433139846.db2.gz PIMXGTATJPZQLG-UHFFFAOYSA-N 0 0 302.447 3.378 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000425283156 433145372 /nfs/dbraw/zinc/14/53/72/433145372.db2.gz OFQUXEONVGSTPC-CABZTGNLSA-N 0 0 314.288 3.199 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000373629467 433156301 /nfs/dbraw/zinc/15/63/01/433156301.db2.gz HOLJJCLZJDTUHC-LBPRGKRZSA-N 0 0 317.364 3.146 10 30 DGEERN Cc1nnc(N2CC[C@](C)(c3ccc(F)cc3)C2)c(C#N)c1C ZINC000373645264 433157909 /nfs/dbraw/zinc/15/79/09/433157909.db2.gz RAOVXIPBCVBTEI-SFHVURJKSA-N 0 0 310.376 3.272 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000373629466 433158070 /nfs/dbraw/zinc/15/80/70/433158070.db2.gz HOLJJCLZJDTUHC-GFCCVEGCSA-N 0 0 317.364 3.146 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000373856687 433166020 /nfs/dbraw/zinc/16/60/20/433166020.db2.gz WVJZSJDXZGAATP-INIZCTEOSA-N 0 0 311.385 3.116 10 30 DGEERN COc1cc(C)cc(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000447171339 433169654 /nfs/dbraw/zinc/16/96/54/433169654.db2.gz GBHYLSDHUAXHGD-KDOFPFPSSA-N 0 0 317.433 3.167 10 30 DGEERN COc1cc(C)c(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1OC ZINC000447244078 433174300 /nfs/dbraw/zinc/17/43/00/433174300.db2.gz KEXHLVVVVZQRRU-GFCCVEGCSA-N 0 0 316.382 3.267 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C)c(OC)cc1C ZINC000280801021 433180118 /nfs/dbraw/zinc/18/01/18/433180118.db2.gz YKKLPOVQKYGFML-WMLDXEAASA-N 0 0 318.417 3.415 10 30 DGEERN C=CCn1c(N2CCC[C@H](COC)CC2)nnc1C(C)(C)C ZINC000453434537 433183036 /nfs/dbraw/zinc/18/30/36/433183036.db2.gz HFUUCUOSSMJEGH-AWEZNQCLSA-N 0 0 306.454 3.015 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CC=CCC1 ZINC000453442669 433186114 /nfs/dbraw/zinc/18/61/14/433186114.db2.gz PZANLLDGNIHWCN-JKSUJKDBSA-N 0 0 316.449 3.498 10 30 DGEERN C=CCn1c(N2CCC(C)=C(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453441282 433187206 /nfs/dbraw/zinc/18/72/06/433187206.db2.gz NYASAWAJSMRZOF-KRWDZBQOSA-N 0 0 302.422 3.036 10 30 DGEERN C=CCn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453441348 433187384 /nfs/dbraw/zinc/18/73/84/433187384.db2.gz OEYVCKWFOVXQSF-CPUCHLNUSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N(CC)CCC2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453446686 433191543 /nfs/dbraw/zinc/19/15/43/433191543.db2.gz WIJSOFXERARNRY-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](COC)CC1 ZINC000453455096 433194455 /nfs/dbraw/zinc/19/44/55/433194455.db2.gz RXSPFHDXWXOPCT-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCN(CC=C)c1nnc([C@]2(C)CCCO2)n1CC(C)C ZINC000453480896 433204460 /nfs/dbraw/zinc/20/44/60/433204460.db2.gz OARLWTAIGIEPGO-KRWDZBQOSA-N 0 0 304.438 3.138 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCSc1ccccc1 ZINC000425382377 433217341 /nfs/dbraw/zinc/21/73/41/433217341.db2.gz IJOQZFZXGLFMGJ-HOCLYGCPSA-N 0 0 320.458 3.059 10 30 DGEERN C=CCOc1ccc(CNc2cn(C)nc2C2CC2)cc1OC ZINC000291182739 433226376 /nfs/dbraw/zinc/22/63/76/433226376.db2.gz FVFCLIJUCXQSKU-UHFFFAOYSA-N 0 0 313.401 3.483 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374659287 433250298 /nfs/dbraw/zinc/25/02/98/433250298.db2.gz HUAFAXFXXUYWRF-KRWDZBQOSA-N 0 0 322.408 3.351 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000281006957 433251412 /nfs/dbraw/zinc/25/14/12/433251412.db2.gz DWKWZOPLUDUPDG-INWMFGNUSA-N 0 0 300.402 3.366 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000281023752 433254967 /nfs/dbraw/zinc/25/49/67/433254967.db2.gz SLXYDCBDFWWZRX-ZDUSSCGKSA-N 0 0 302.374 3.084 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000281066596 433259850 /nfs/dbraw/zinc/25/98/50/433259850.db2.gz MEPRVVDWWPZLOR-DUVNUKRYSA-N 0 0 300.402 3.366 10 30 DGEERN C=CC[C@H](CO)CNc1nccc2cc(Br)ccc21 ZINC000413230692 433267221 /nfs/dbraw/zinc/26/72/21/433267221.db2.gz SFMCOJIKCAHMOI-NSHDSACASA-N 0 0 321.218 3.594 10 30 DGEERN CCCCCCCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374758734 433272259 /nfs/dbraw/zinc/27/22/59/433272259.db2.gz CVKCZSXHGQONGO-NVXWUHKLSA-N 0 0 311.466 3.031 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000281428484 433296965 /nfs/dbraw/zinc/29/69/65/433296965.db2.gz NMTSDEFUWMTEJQ-KBXCAEBGSA-N 0 0 323.383 3.385 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000425566467 433304328 /nfs/dbraw/zinc/30/43/28/433304328.db2.gz QHLZSNNSIJWSEK-XYJFISCASA-N 0 0 304.434 3.109 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000425572009 433304791 /nfs/dbraw/zinc/30/47/91/433304791.db2.gz IRSBFLDAAVYGSE-CFVMTHIKSA-N 0 0 306.431 3.186 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000425569142 433305229 /nfs/dbraw/zinc/30/52/29/433305229.db2.gz XXVJQLHWKFFPEU-IRXDYDNUSA-N 0 0 302.418 3.036 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@H](C)C#N ZINC000299229105 433351907 /nfs/dbraw/zinc/35/19/07/433351907.db2.gz CYSFPKHRVZGVPZ-NXEZZACHSA-N 0 0 315.200 3.379 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000448029895 433353062 /nfs/dbraw/zinc/35/30/62/433353062.db2.gz JNIICJRTJOCVPW-QGZVFWFLSA-N 0 0 302.418 3.298 10 30 DGEERN C=CCCCNC(=O)N[C@@H](CC(=O)OCC)c1ccc(F)cc1 ZINC000448036608 433354791 /nfs/dbraw/zinc/35/47/91/433354791.db2.gz ZJXUPQHXQFAZTJ-HNNXBMFYSA-N 0 0 322.380 3.085 10 30 DGEERN C=CCCCNC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000448035918 433355072 /nfs/dbraw/zinc/35/50/72/433355072.db2.gz UADMAGKEHHLEAY-UHFFFAOYSA-N 0 0 316.445 3.386 10 30 DGEERN C=C(C)CCNC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000454277972 433355597 /nfs/dbraw/zinc/35/55/97/433355597.db2.gz XBGLRGWYFPFHJE-UHFFFAOYSA-N 0 0 314.332 3.062 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOc1ccccc1OC ZINC000299318779 433361399 /nfs/dbraw/zinc/36/13/99/433361399.db2.gz WOCJZYVKBKABSM-UHFFFAOYSA-N 0 0 317.307 3.041 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000425862140 433364432 /nfs/dbraw/zinc/36/44/32/433364432.db2.gz WZFIWZFLJGGFDG-RDJZCZTQSA-N 0 0 320.408 3.337 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc([C@@H](C)OCC)s1 ZINC000361665326 433328081 /nfs/dbraw/zinc/32/80/81/433328081.db2.gz AOYGCGWEOHLMSN-SECBINFHSA-N 0 0 322.352 3.431 10 30 DGEERN C=CCCCNC(=O)NC[C@H](OC(C)C)c1ccccc1OC ZINC000447985763 433338916 /nfs/dbraw/zinc/33/89/16/433338916.db2.gz AOBWWSGBKGDIMV-KRWDZBQOSA-N 0 0 320.433 3.427 10 30 DGEERN C=CCCCNC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000447983886 433339080 /nfs/dbraw/zinc/33/90/80/433339080.db2.gz UXELHJWDVQENLQ-UHFFFAOYSA-N 0 0 302.418 3.000 10 30 DGEERN C=C1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000341994783 433402931 /nfs/dbraw/zinc/40/29/31/433402931.db2.gz OOJJZXQBURNAJP-UHFFFAOYSA-N 0 0 301.415 3.038 10 30 DGEERN C=CCCCNC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000448377809 433404586 /nfs/dbraw/zinc/40/45/86/433404586.db2.gz UANYZIVTSPKARM-NVXWUHKLSA-N 0 0 302.418 3.433 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H]2CCO[C@H](CC)C2)c1 ZINC000421079270 433421861 /nfs/dbraw/zinc/42/18/61/433421861.db2.gz JIZCJJWQYPLVEW-HUUCEWRRSA-N 0 0 304.390 3.331 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000281931300 433435149 /nfs/dbraw/zinc/43/51/49/433435149.db2.gz RLCJGKLNEUBEDP-MRXNPFEDSA-N 0 0 323.440 3.486 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1CCC[C@@](C)(F)C1 ZINC000454484821 433444128 /nfs/dbraw/zinc/44/41/28/433444128.db2.gz MFMSMCZJHSWWHM-QGZVFWFLSA-N 0 0 306.381 3.285 10 30 DGEERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(C#N)n1C ZINC000448614482 433455643 /nfs/dbraw/zinc/45/56/43/433455643.db2.gz QXLNRTFPHINYKB-UHFFFAOYSA-N 0 0 311.429 3.185 10 30 DGEERN COc1cc(C)c(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1OC ZINC000361949978 433467542 /nfs/dbraw/zinc/46/75/42/433467542.db2.gz SXGIOXGJWHIMEB-KRWDZBQOSA-N 0 0 304.390 3.070 10 30 DGEERN C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC ZINC000282151531 433512167 /nfs/dbraw/zinc/51/21/67/433512167.db2.gz CECDFZHPVPWTLP-LBPRGKRZSA-N 0 0 304.369 3.199 10 30 DGEERN CCCCOc1cccc(CNC(=O)c2ccc(C#N)n2C)c1 ZINC000448719099 433515694 /nfs/dbraw/zinc/51/56/94/433515694.db2.gz FFKGMMJQSIAUSA-UHFFFAOYSA-N 0 0 311.385 3.006 10 30 DGEERN CN(C)c1cc(CNc2cc(C#N)nc3ccccc32)ccn1 ZINC000301379343 433529268 /nfs/dbraw/zinc/52/92/68/433529268.db2.gz ZHYMDDYBSFFEKS-UHFFFAOYSA-N 0 0 303.369 3.180 10 30 DGEERN C[C@@H](C#N)NC(=O)c1sc2ccccc2c1Br ZINC000362125375 433538209 /nfs/dbraw/zinc/53/82/09/433538209.db2.gz WZEOHJQZULIPGA-ZETCQYMHSA-N 0 0 309.188 3.306 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCCc1c(C)oc2ccccc21 ZINC000362001799 433488105 /nfs/dbraw/zinc/48/81/05/433488105.db2.gz FUTYIMNWTPWHCV-CQSZACIVSA-N 0 0 301.386 3.381 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1)OCC ZINC000355171875 433505866 /nfs/dbraw/zinc/50/58/66/433505866.db2.gz WTNBIYQKAIZZHM-RVKKMQEKSA-N 0 0 311.466 3.051 10 30 DGEERN C=CCOc1ccccc1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000426679777 433560126 /nfs/dbraw/zinc/56/01/26/433560126.db2.gz JHHAZNOBNAMBRG-SHTZXODSSA-N 0 0 303.402 3.232 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1ccn(CCc2ccccc2)n1 ZINC000448847378 433580466 /nfs/dbraw/zinc/58/04/66/433580466.db2.gz WKADWVCNHYZYLO-IBGZPJMESA-N 0 0 324.428 3.184 10 30 DGEERN CO[C@@H](C)c1nc(CN(C)c2ccc(F)cc2C#N)cs1 ZINC000301525905 433594155 /nfs/dbraw/zinc/59/41/55/433594155.db2.gz FYEVECGNDCOPLW-JTQLQIEISA-N 0 0 305.378 3.498 10 30 DGEERN COc1ccc2c(c1NC(=O)N1CCC(C)(C#N)CC1)CCC2 ZINC000362205522 433584494 /nfs/dbraw/zinc/58/44/94/433584494.db2.gz ZUKXUZPCQWEELE-UHFFFAOYSA-N 0 0 313.401 3.341 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000362214721 433586098 /nfs/dbraw/zinc/58/60/98/433586098.db2.gz LYGNYQWYVICWSB-DZGCQCFKSA-N 0 0 318.442 3.129 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000448958097 433629867 /nfs/dbraw/zinc/62/98/67/433629867.db2.gz ZDYKDUZPPZHEOJ-BMFZPTHFSA-N 0 0 305.805 3.247 10 30 DGEERN C=CC(C)(C)C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000448962806 433632433 /nfs/dbraw/zinc/63/24/33/433632433.db2.gz RGVODKAFMXMEIR-UHFFFAOYSA-N 0 0 317.429 3.211 10 30 DGEERN CCc1nnc(N[C@@H](C)c2ccc3c(c2)OCO3)c(C#N)c1CC ZINC000301631073 433648823 /nfs/dbraw/zinc/64/88/23/433648823.db2.gz TUFKBYXUOGAJLL-NSHDSACASA-N 0 0 324.384 3.375 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1nc(C(C)(C)C)cs1 ZINC000448927672 433616638 /nfs/dbraw/zinc/61/66/38/433616638.db2.gz YHWWHAOPQLOHLM-JTQLQIEISA-N 0 0 316.430 3.142 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCC(c2ncccc2Cl)CC1 ZINC000375932586 433618954 /nfs/dbraw/zinc/61/89/54/433618954.db2.gz MQSNXPQAVUPRJR-ZDUSSCGKSA-N 0 0 302.809 3.358 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000362372101 433665695 /nfs/dbraw/zinc/66/56/95/433665695.db2.gz VQBBGMUJQVZPOG-LLVKDONJSA-N 0 0 310.344 3.092 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC(C)(C)C[C@H]1C ZINC000414523269 433688646 /nfs/dbraw/zinc/68/86/46/433688646.db2.gz DXTJNPAKAPGIAS-CQSZACIVSA-N 0 0 314.433 3.467 10 30 DGEERN CC(=O)c1ccsc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000427417530 433703265 /nfs/dbraw/zinc/70/32/65/433703265.db2.gz VPGJAGNZOFYJPI-UHFFFAOYSA-N 0 0 324.365 3.484 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000376267139 433703298 /nfs/dbraw/zinc/70/32/98/433703298.db2.gz RNYGUXWPYPTVDX-RDJZCZTQSA-N 0 0 301.434 3.400 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000293382439 433722117 /nfs/dbraw/zinc/72/21/17/433722117.db2.gz QXPWKONLTNPFSF-GJZGRUSLSA-N 0 0 304.409 3.371 10 30 DGEERN C=CCCOCCCCC(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000356813111 433712692 /nfs/dbraw/zinc/71/26/92/433712692.db2.gz FKJUESRBVSXESF-UHFFFAOYSA-N 0 0 305.353 3.404 10 30 DGEERN COc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1C#N ZINC000374182784 293363608 /nfs/dbraw/zinc/36/36/08/293363608.db2.gz KOFRRBRWFMOCAJ-KRWDZBQOSA-N 0 0 310.401 3.028 10 30 DGEERN Cc1cc(Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C#N)c(C)n1 ZINC000301767015 433712908 /nfs/dbraw/zinc/71/29/08/433712908.db2.gz HQJKQEGKQIXDRC-LLVKDONJSA-N 0 0 308.341 3.033 10 30 DGEERN Cc1cc(NCCc2ccc(-n3cccn3)cc2)c(C#N)c(C)n1 ZINC000301769020 433717165 /nfs/dbraw/zinc/71/71/65/433717165.db2.gz ILVUFWRYYOHMMH-UHFFFAOYSA-N 0 0 317.396 3.410 10 30 DGEERN C#CCCNC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000376457127 433744634 /nfs/dbraw/zinc/74/46/34/433744634.db2.gz BPDPOLAAPLNRRW-LLVKDONJSA-N 0 0 313.184 3.140 10 30 DGEERN C=CCC[C@H](NC(=O)c1c(C)oc2ccccc21)C(=O)OCC ZINC000456615726 433751043 /nfs/dbraw/zinc/75/10/43/433751043.db2.gz WUTANSLQKYBCLI-AWEZNQCLSA-N 0 0 315.369 3.369 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000362548697 433751098 /nfs/dbraw/zinc/75/10/98/433751098.db2.gz WTMLEYSQCDXDHF-MRXNPFEDSA-N 0 0 315.438 3.256 10 30 DGEERN C=CCC[C@@H](NC(=O)C(C)(C)c1ccccc1F)C(=O)OCC ZINC000456625749 433754735 /nfs/dbraw/zinc/75/47/35/433754735.db2.gz KHYIAIMDWCPXRL-OAHLLOKOSA-N 0 0 321.392 3.117 10 30 DGEERN C=CCC[C@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)OCC ZINC000456631523 433756797 /nfs/dbraw/zinc/75/67/97/433756797.db2.gz SJJWVIIOSMMUQY-DYLHUKMJSA-N 0 0 319.376 3.243 10 30 DGEERN Cc1ccc2[nH]c(CNC(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000362568541 433762507 /nfs/dbraw/zinc/76/25/07/433762507.db2.gz UBVSAVBQIUQCDB-UHFFFAOYSA-N 0 0 305.341 3.065 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000456673830 433768796 /nfs/dbraw/zinc/76/87/96/433768796.db2.gz DYOUSIQUVJZDOX-QWHCGFSZSA-N 0 0 319.367 3.285 10 30 DGEERN N#Cc1cnccc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000375096503 293484949 /nfs/dbraw/zinc/48/49/49/293484949.db2.gz HUEAGLOGRQMTSP-HNNXBMFYSA-N 0 0 307.353 3.066 10 30 DGEERN Cc1cccc2[nH]c(CNc3ccc(C#N)cc3[N+](=O)[O-])nc21 ZINC000301877605 433770350 /nfs/dbraw/zinc/77/03/50/433770350.db2.gz JCOQSDDKMTUNAR-UHFFFAOYSA-N 0 0 307.313 3.263 10 30 DGEERN C=C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000362603256 433784298 /nfs/dbraw/zinc/78/42/98/433784298.db2.gz XJHBAEOWNHVZGS-QMMMGPOBSA-N 0 0 321.174 3.007 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000376602579 433788322 /nfs/dbraw/zinc/78/83/22/433788322.db2.gz QCYJIKSECOKKBR-MRXNPFEDSA-N 0 0 320.392 3.197 10 30 DGEERN CC1(C#N)CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 ZINC000356981735 433802742 /nfs/dbraw/zinc/80/27/42/433802742.db2.gz VAADGMBPNJOMEF-UHFFFAOYSA-N 0 0 315.392 3.192 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000283946372 433805884 /nfs/dbraw/zinc/80/58/84/433805884.db2.gz NBHRATYONRRVLO-HNNXBMFYSA-N 0 0 322.836 3.332 10 30 DGEERN C=CCNC(=O)c1ccc(N2Cc3ccccc3C3(CC3)C2)nc1 ZINC000302496384 433825013 /nfs/dbraw/zinc/82/50/13/433825013.db2.gz UNQUWCANFUDAQV-UHFFFAOYSA-N 0 0 319.408 3.049 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000456753572 433806453 /nfs/dbraw/zinc/80/64/53/433806453.db2.gz GDQKSLQMCQRDAE-QGZVFWFLSA-N 0 0 307.393 3.315 10 30 DGEERN C=CC[C@H](CO)Nc1ccnc2ccc(Br)cc21 ZINC000302139615 433812315 /nfs/dbraw/zinc/81/23/15/433812315.db2.gz OHPNDVAUCZVJFA-LLVKDONJSA-N 0 0 307.191 3.346 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000456771877 433817963 /nfs/dbraw/zinc/81/79/63/433817963.db2.gz WALDAWGBJVDAKQ-QZTJIDSGSA-N 0 0 303.446 3.335 10 30 DGEERN C=C[C@](C)(O)CC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000456780019 433820245 /nfs/dbraw/zinc/82/02/45/433820245.db2.gz RKVJEYXYHOBZNW-KRWDZBQOSA-N 0 0 305.393 3.079 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1ccc(C)c(C(=O)N[C@H](C)CC=C)c1 ZINC000449920910 433872693 /nfs/dbraw/zinc/87/26/93/433872693.db2.gz CVFRDJSMWSONKM-HUUCEWRRSA-N 0 0 314.429 3.384 10 30 DGEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)c(Br)c1 ZINC000302618502 433827851 /nfs/dbraw/zinc/82/78/51/433827851.db2.gz PHJIQJDWEQUSBZ-YGRLFVJLSA-N 0 0 309.207 3.240 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000377525342 433903882 /nfs/dbraw/zinc/90/38/82/433903882.db2.gz OWVVHAHQWQLIIX-UHFFFAOYSA-N 0 0 320.348 3.073 10 30 DGEERN CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000362914512 433906590 /nfs/dbraw/zinc/90/65/90/433906590.db2.gz XTJHNNJRLYZWQO-CQSZACIVSA-N 0 0 324.421 3.287 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000435996459 433881678 /nfs/dbraw/zinc/88/16/78/433881678.db2.gz QSXUELFVFWNJCE-VQIMIIECSA-N 0 0 303.365 3.186 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1sc(CC)nc1C ZINC000436378876 433955007 /nfs/dbraw/zinc/95/50/07/433955007.db2.gz NRXFNKADHWTZTG-WCQYABFASA-N 0 0 309.435 3.117 10 30 DGEERN C=CC[C@@H](C)[C@@H](C)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000285533686 433986571 /nfs/dbraw/zinc/98/65/71/433986571.db2.gz CTGHAONYFJEBOE-VXGBXAGGSA-N 0 0 304.365 3.492 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000293943065 433936325 /nfs/dbraw/zinc/93/63/25/433936325.db2.gz OOOVWQVKMUTFOI-INIZCTEOSA-N 0 0 301.430 3.141 10 30 DGEERN C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000294142507 434011079 /nfs/dbraw/zinc/01/10/79/434011079.db2.gz HBBHAHVZZGWFQR-HUUCEWRRSA-N 0 0 315.413 3.280 10 30 DGEERN C=CCC[C@@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000378071176 434070704 /nfs/dbraw/zinc/07/07/04/434070704.db2.gz LPUVDXYJWNAYKU-JKSUJKDBSA-N 0 0 324.428 3.274 10 30 DGEERN C=CC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000450286936 434079396 /nfs/dbraw/zinc/07/93/96/434079396.db2.gz MVZRGPFJVNMRFI-CABCVRRESA-N 0 0 306.837 3.414 10 30 DGEERN C=CC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000450286938 434082055 /nfs/dbraw/zinc/08/20/55/434082055.db2.gz MVZRGPFJVNMRFI-GJZGRUSLSA-N 0 0 306.837 3.414 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000363812286 434155359 /nfs/dbraw/zinc/15/53/59/434155359.db2.gz FBCUHKGSEKYLPH-CQSZACIVSA-N 0 0 317.429 3.307 10 30 DGEERN C#CCCNC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000364153716 434247977 /nfs/dbraw/zinc/24/79/77/434247977.db2.gz OWXNJOOZGMDWFJ-ZDUSSCGKSA-N 0 0 310.319 3.228 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000437478937 434268364 /nfs/dbraw/zinc/26/83/64/434268364.db2.gz ITBFCQHHJUTSEX-WBMJQRKESA-N 0 0 311.784 3.119 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000437478926 434268518 /nfs/dbraw/zinc/26/85/18/434268518.db2.gz ITBFCQHHJUTSEX-BLLLJJGKSA-N 0 0 311.784 3.119 10 30 DGEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)CC3=CCCCC3)C2)n1 ZINC000328609520 434285972 /nfs/dbraw/zinc/28/59/72/434285972.db2.gz DRFVUDPUFMPDNP-HNNXBMFYSA-N 0 0 316.405 3.155 10 30 DGEERN CCc1oncc1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000328590120 434288531 /nfs/dbraw/zinc/28/85/31/434288531.db2.gz BTCJLDLGTHCESP-UHFFFAOYSA-N 0 0 311.382 3.049 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccn1 ZINC000286761237 434290998 /nfs/dbraw/zinc/29/09/98/434290998.db2.gz UDXRUIONHLBXNF-DOTOQJQBSA-N 0 0 307.397 3.076 10 30 DGEERN Cc1cc([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)c(C)o1 ZINC000328635500 434292035 /nfs/dbraw/zinc/29/20/35/434292035.db2.gz UWNYLAMGHCDAHK-NORZTCDRSA-N 0 0 317.389 3.425 10 30 DGEERN CC(=O)Nc1ccn([C@H]2CCN(Cc3cccc(F)c3F)C2)n1 ZINC000328631826 434293074 /nfs/dbraw/zinc/29/30/74/434293074.db2.gz RJVPKBNCUIOYCE-ZDUSSCGKSA-N 0 0 320.343 3.216 10 30 DGEERN C[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1cccs1 ZINC000328641831 434293679 /nfs/dbraw/zinc/29/36/79/434293679.db2.gz YBMGVPVFIHFTOI-OSAQELSMSA-N 0 0 319.430 3.319 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1c3ccccc3C[C@@H]1C)CCC2 ZINC000328653854 434295512 /nfs/dbraw/zinc/29/55/12/434295512.db2.gz CKUMNEBIBWTOKQ-HOCLYGCPSA-N 0 0 324.428 3.434 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1C1CCC1)CCC2 ZINC000328656606 434296272 /nfs/dbraw/zinc/29/62/72/434296272.db2.gz OAPIGAJGYANZGM-HOTGVXAUSA-N 0 0 316.449 3.247 10 30 DGEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)C(=O)N1CCCC[C@@H]1C ZINC000328686203 434298289 /nfs/dbraw/zinc/29/82/89/434298289.db2.gz YAFCZNLUNLTCDJ-IHRRRGAJSA-N 0 0 323.437 3.022 10 30 DGEERN C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000328708415 434301378 /nfs/dbraw/zinc/30/13/78/434301378.db2.gz QIYXKMDFIQHEED-CZUORRHYSA-N 0 0 316.380 3.336 10 30 DGEERN CCC[C@H]1C[C@H]1NC(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000328740183 434307069 /nfs/dbraw/zinc/30/70/69/434307069.db2.gz LPQABMQOPVYURD-WCQYABFASA-N 0 0 301.394 3.176 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437697315 434319611 /nfs/dbraw/zinc/31/96/11/434319611.db2.gz GPMIDUAQMSLFFH-RTXFEEFZSA-N 0 0 310.344 3.408 10 30 DGEERN Cc1nc(CC(C)C)sc1C(=O)NCc1noc(C2CC2)n1 ZINC000328963022 434334301 /nfs/dbraw/zinc/33/43/01/434334301.db2.gz QXFDRQSRFZAYFY-UHFFFAOYSA-N 0 0 320.418 3.415 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1C ZINC000287434518 434362252 /nfs/dbraw/zinc/36/22/52/434362252.db2.gz QUPDOWJDZHCPBS-QGZVFWFLSA-N 0 0 323.440 3.311 10 30 DGEERN C[C@@H]1C[C@H](CNC(=O)N2CCC[C@H](c3nccs3)C2)CCO1 ZINC000329118835 434363163 /nfs/dbraw/zinc/36/31/63/434363163.db2.gz OUKJDFQXIZIBNB-MCIONIFRSA-N 0 0 323.462 3.052 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457825216 434365869 /nfs/dbraw/zinc/36/58/69/434365869.db2.gz GOLRQAQBRHNEHE-CABCVRRESA-N 0 0 309.793 3.201 10 30 DGEERN CC1(CNC(=O)N2CCc3cncnc3C2)CCCCCC1 ZINC000329253615 434377051 /nfs/dbraw/zinc/37/70/51/434377051.db2.gz ZGNWNGXJBLPENV-UHFFFAOYSA-N 0 0 302.422 3.109 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000438017313 434382699 /nfs/dbraw/zinc/38/26/99/434382699.db2.gz UNTLTHDBGSWJLH-QRQLOZEOSA-N 0 0 317.429 3.070 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCS[C@H](C)CC1 ZINC000287522518 434384517 /nfs/dbraw/zinc/38/45/17/434384517.db2.gz VCOWZDSGGYBGMJ-WBVHZDCISA-N 0 0 316.470 3.158 10 30 DGEERN C#Cc1ccc(CNC(=O)[C@@H]2CCc3ccc(OC)cc32)cc1 ZINC000295494087 434385366 /nfs/dbraw/zinc/38/53/66/434385366.db2.gz OTKHKBNIQGGHCU-GOSISDBHSA-N 0 0 305.377 3.023 10 30 DGEERN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cc(F)cc(F)c1 ZINC000457762476 434335511 /nfs/dbraw/zinc/33/55/11/434335511.db2.gz PUCKQDOKKCBSLJ-HZPDHXFCSA-N 0 0 309.356 3.295 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC(F)F)CC1CCC1 ZINC000438059287 434390756 /nfs/dbraw/zinc/39/07/56/434390756.db2.gz ZEMAHXPZWXZXES-HIFRSBDPSA-N 0 0 316.392 3.044 10 30 DGEERN C[C@@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)[C@@H]2CCCC[C@@H]21 ZINC000329607377 434444481 /nfs/dbraw/zinc/44/44/81/434444481.db2.gz IIGZTCLRRPQRQO-UXIGCNINSA-N 0 0 302.422 3.354 10 30 DGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000329349769 434397076 /nfs/dbraw/zinc/39/70/76/434397076.db2.gz STGAUPKVFMNELM-KKUMJFAQSA-N 0 0 317.433 3.435 10 30 DGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H](C2CC2)C1 ZINC000329346297 434397311 /nfs/dbraw/zinc/39/73/11/434397311.db2.gz CWOIVZZIOYBKPI-GZBFAFLISA-N 0 0 307.438 3.166 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(CC)c(Cl)c1 ZINC000287577225 434401876 /nfs/dbraw/zinc/40/18/76/434401876.db2.gz KIDZPTJUJDGLGO-UHFFFAOYSA-N 0 0 308.809 3.266 10 30 DGEERN COCc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)cs1 ZINC000329401938 434406396 /nfs/dbraw/zinc/40/63/96/434406396.db2.gz YINMFQXRDQPVPC-UHFFFAOYSA-N 0 0 306.431 3.419 10 30 DGEERN CCc1noc(C)c1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000329519327 434425271 /nfs/dbraw/zinc/42/52/71/434425271.db2.gz NYIUVURJAXIOTO-CYBMUJFWSA-N 0 0 316.405 3.185 10 30 DGEERN CC1(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)CCCCC1 ZINC000329542047 434427125 /nfs/dbraw/zinc/42/71/25/434427125.db2.gz DRUXMCMLLSDTCI-UHFFFAOYSA-N 0 0 303.406 3.030 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000438369486 434468492 /nfs/dbraw/zinc/46/84/92/434468492.db2.gz YEYRFCRZYVUXTE-MDASCCDHSA-N 0 0 324.424 3.180 10 30 DGEERN O=C(C[C@@H]1CCCc2ccccc21)N[C@H]1CCCS(=O)(=O)C1 ZINC000329712826 434468483 /nfs/dbraw/zinc/46/84/83/434468483.db2.gz QOXANBYAUZWJIT-GJZGRUSLSA-N 0 0 321.442 3.030 10 30 DGEERN C[C@H](C#N)CN(C)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000438359969 434471264 /nfs/dbraw/zinc/47/12/64/434471264.db2.gz BDRVGTYRBQOHSY-JEBQAFNWSA-N 0 0 307.397 3.497 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1OCCC2 ZINC000366655364 434474475 /nfs/dbraw/zinc/47/44/75/434474475.db2.gz QLOCTASAGRXGON-GDBMZVCRSA-N 0 0 316.401 3.114 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(C)c(Br)c1 ZINC000417627950 434474760 /nfs/dbraw/zinc/47/47/60/434474760.db2.gz QAYLSBAGBDYNDI-LBPRGKRZSA-N 0 0 312.207 3.267 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2O)C1 ZINC000329768230 434476652 /nfs/dbraw/zinc/47/66/52/434476652.db2.gz GHQZDWQNWAXNRI-SRABZTEZSA-N 0 0 302.418 3.048 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(Br)cs1 ZINC000417631186 434481397 /nfs/dbraw/zinc/48/13/97/434481397.db2.gz VNSGBYFSQJSPNX-VIFPVBQESA-N 0 0 304.209 3.020 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000417692479 434503426 /nfs/dbraw/zinc/50/34/26/434503426.db2.gz AHCHBWCXDVGRMM-LSDHHAIUSA-N 0 0 308.466 3.084 10 30 DGEERN CC1(C)CCC[C@@H](CC(=O)Nc2nc3n(c2C#N)CCS3)C1 ZINC000408002115 434535357 /nfs/dbraw/zinc/53/53/57/434535357.db2.gz SOIFPEBNLAXNBI-NSHDSACASA-N 0 0 318.446 3.405 10 30 DGEERN COc1cccc([C@@H]2C[C@@H](C)CN2c2nc(C)cc(C#N)n2)c1 ZINC000367269179 434542983 /nfs/dbraw/zinc/54/29/83/434542983.db2.gz GRHGTICAADKQAY-PXAZEXFGSA-N 0 0 308.385 3.253 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000367469068 434547969 /nfs/dbraw/zinc/54/79/69/434547969.db2.gz HBNPRIOAGRNTLM-KRWDZBQOSA-N 0 0 319.343 3.392 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408203273 434551941 /nfs/dbraw/zinc/55/19/41/434551941.db2.gz CFKMTLZQLREMKU-GOEBONIOSA-N 0 0 315.417 3.128 10 30 DGEERN C[C@@H]1CCOCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000367645582 434552662 /nfs/dbraw/zinc/55/26/62/434552662.db2.gz MSXOOKLQCPYCSD-CYBMUJFWSA-N 0 0 313.319 3.048 10 30 DGEERN Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)c(C)c1C ZINC000408339410 434562896 /nfs/dbraw/zinc/56/28/96/434562896.db2.gz PSEOFDCDARBMAU-HOTGVXAUSA-N 0 0 320.458 3.199 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000408342857 434563455 /nfs/dbraw/zinc/56/34/55/434563455.db2.gz ZQDWDPGAXBGFBE-SRVKXCTJSA-N 0 0 303.328 3.099 10 30 DGEERN CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408405326 434572211 /nfs/dbraw/zinc/57/22/11/434572211.db2.gz QLUWFYHNOVNZIU-NSHDSACASA-N 0 0 312.460 3.209 10 30 DGEERN Cc1ccc([C@H](Nc2ccncc2C#N)c2ccccn2)cc1 ZINC000368549373 434577219 /nfs/dbraw/zinc/57/72/19/434577219.db2.gz BWJZHACJTJOQHA-IBGZPJMESA-N 0 0 300.365 3.280 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](O)[C@@H](C)C3)c2c1 ZINC000408456105 434578044 /nfs/dbraw/zinc/57/80/44/434578044.db2.gz ZTIKTIBKLZDLOK-SCLBCKFNSA-N 0 0 309.413 3.437 10 30 DGEERN N#CCCOCCN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC000451860481 434579438 /nfs/dbraw/zinc/57/94/38/434579438.db2.gz MHQOYSAJEXASCG-ZJUUUORDSA-N 0 0 318.261 3.122 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000369168922 434591559 /nfs/dbraw/zinc/59/15/59/434591559.db2.gz WNEAMYJAYWYBKU-ULQDDVLXSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000424122415 434627062 /nfs/dbraw/zinc/62/70/62/434627062.db2.gz IVSMPSDCOYZBIK-XQQFMLRXSA-N 0 0 324.519 3.362 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)C[C@@H]1CCCCO1 ZINC000424133029 434630429 /nfs/dbraw/zinc/63/04/29/434630429.db2.gz YPAUTVJQWIQCAD-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cn(CCCCC)c2ccccc12 ZINC000410074385 434633105 /nfs/dbraw/zinc/63/31/05/434633105.db2.gz KYRZCWKPIGJAAU-HNNXBMFYSA-N 0 0 314.429 3.498 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000439410868 434599122 /nfs/dbraw/zinc/59/91/22/434599122.db2.gz MUNHLKUUMKUPAL-LBPRGKRZSA-N 0 0 319.405 3.049 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(CC)CCOCC ZINC000424244635 434663070 /nfs/dbraw/zinc/66/30/70/434663070.db2.gz LFCNLOALFFUBJU-CQSZACIVSA-N 0 0 324.494 3.285 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440033354 434673186 /nfs/dbraw/zinc/67/31/86/434673186.db2.gz HSLADPMQWKKYIX-UHFFFAOYSA-N 0 0 319.163 3.153 10 30 DGEERN CC(C)(C)Oc1ccc(NC(=O)c2cc(F)c[nH]2)cc1C#N ZINC000452675926 434676061 /nfs/dbraw/zinc/67/60/61/434676061.db2.gz GPQIPMVWZDUHFH-UHFFFAOYSA-N 0 0 301.321 3.455 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)N(C)c2ccccc2)CCOCC1 ZINC000424581576 434748979 /nfs/dbraw/zinc/74/89/79/434748979.db2.gz GDHHJROWRZBWAZ-MRXNPFEDSA-N 0 0 316.445 3.000 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc2c(n1)CCCC2 ZINC000411073635 434711509 /nfs/dbraw/zinc/71/15/09/434711509.db2.gz VMVKFROJYOPMOD-UHFFFAOYSA-N 0 0 319.364 3.287 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N(C)Cc1cnc(C(C)C)nc1 ZINC000440659889 434731076 /nfs/dbraw/zinc/73/10/76/434731076.db2.gz HKMFNTNVSNABCB-UHFFFAOYSA-N 0 0 308.385 3.311 10 30 DGEERN C=CCOCCNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000371641987 434731957 /nfs/dbraw/zinc/73/19/57/434731957.db2.gz KLRQFQWBDAUSNF-AWEZNQCLSA-N 0 0 308.809 3.042 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440725428 434739269 /nfs/dbraw/zinc/73/92/69/434739269.db2.gz MIDYJGJZQGUBGB-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)C1(CF)CCOCC1 ZINC000460071484 434742015 /nfs/dbraw/zinc/74/20/15/434742015.db2.gz WYVHGMOBLLGZLQ-UHFFFAOYSA-N 0 0 305.393 3.010 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3nc(C)oc3c2)CCOCC1 ZINC000424574748 434744843 /nfs/dbraw/zinc/74/48/43/434744843.db2.gz XHIDHIUJYCQAFB-UHFFFAOYSA-N 0 0 300.358 3.448 10 30 DGEERN C=CCC1(C(=O)NCc2nc(C(C)(C)C)cs2)CCOCC1 ZINC000424653116 434770359 /nfs/dbraw/zinc/77/03/59/434770359.db2.gz RXTDFDHZSCCIFS-UHFFFAOYSA-N 0 0 322.474 3.430 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCc3c2cccc3F)CCOCC1 ZINC000424599426 434755820 /nfs/dbraw/zinc/75/58/20/434755820.db2.gz MVDPSQRNFMRHIS-MRXNPFEDSA-N 0 0 303.377 3.302 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)Cc2ccccc2C)CCOCC1 ZINC000424607191 434756602 /nfs/dbraw/zinc/75/66/02/434756602.db2.gz UFROKVUUPQTMEU-INIZCTEOSA-N 0 0 301.430 3.415 10 30 DGEERN C=C(C)Cn1c(CC2CC2)nnc1N(CC1CC1)CC1CC1 ZINC000460582004 434762811 /nfs/dbraw/zinc/76/28/11/434762811.db2.gz ZKERADFAFAKMQA-UHFFFAOYSA-N 0 0 300.450 3.433 10 30 DGEERN C=CCCn1cc(C(=O)Nc2sc3c(c2C)CCCC3)nn1 ZINC000424685042 434779327 /nfs/dbraw/zinc/77/93/27/434779327.db2.gz KGUMNEJQNIQXAP-UHFFFAOYSA-N 0 0 316.430 3.355 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(F)cc2C)CCOCC1 ZINC000424722179 434788446 /nfs/dbraw/zinc/78/84/46/434788446.db2.gz XICUDMBEHJNSKR-UHFFFAOYSA-N 0 0 305.393 3.166 10 30 DGEERN C=CCCCCNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000372115966 434799916 /nfs/dbraw/zinc/79/99/16/434799916.db2.gz HPHYSMFVNVPKBG-IBGZPJMESA-N 0 0 314.429 3.154 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000424734811 434790794 /nfs/dbraw/zinc/79/07/94/434790794.db2.gz KIOKVRNGOBBOFR-INIZCTEOSA-N 0 0 303.402 3.197 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2CCCC(F)(F)C2)CCOCC1 ZINC000424817764 434809561 /nfs/dbraw/zinc/80/95/61/434809561.db2.gz FHRYWEOCNCWZPV-ZDUSSCGKSA-N 0 0 301.377 3.301 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCC(C2CCOCC2)CC1 ZINC000372219510 434813553 /nfs/dbraw/zinc/81/35/53/434813553.db2.gz UDRSZONGXSEGDJ-AATRIKPKSA-N 0 0 324.424 3.237 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000424847012 434815944 /nfs/dbraw/zinc/81/59/44/434815944.db2.gz MZYLEAIGTIKKQW-VIFPVBQESA-N 0 0 312.211 3.019 10 30 DGEERN C=CCC1(C(=O)NC[C@](C)(OC)c2ccccc2)CCOCC1 ZINC000424863775 434819741 /nfs/dbraw/zinc/81/97/41/434819741.db2.gz AYPOAAUHRFXCSI-SFHVURJKSA-N 0 0 317.429 3.037 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)COC ZINC000411712811 434820432 /nfs/dbraw/zinc/82/04/32/434820432.db2.gz UWXHOBPDWMXXHB-UHFFFAOYSA-N 0 0 320.389 3.172 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000424917626 434828631 /nfs/dbraw/zinc/82/86/31/434828631.db2.gz UAQHIUSKGSLIDT-ZANVPECISA-N 0 0 300.185 3.314 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccccc1[C@@H](C)CC ZINC000424913493 434828718 /nfs/dbraw/zinc/82/87/18/434828718.db2.gz KRVXSQFJNHXWTH-ZOBUZTSGSA-N 0 0 317.429 3.286 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000424930271 434829866 /nfs/dbraw/zinc/82/98/66/434829866.db2.gz DXVHXIRFZGPRKQ-XEZPLFJOSA-N 0 0 323.433 3.261 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000424934326 434829994 /nfs/dbraw/zinc/82/99/94/434829994.db2.gz USGIBNAKQMJTFS-ZVZYQTTQSA-N 0 0 317.429 3.285 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000424931317 434830008 /nfs/dbraw/zinc/83/00/08/434830008.db2.gz JMRXMTFQRWKAGT-XUJVJEKNSA-N 0 0 305.443 3.194 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1ccccc1Cl ZINC000424935702 434830035 /nfs/dbraw/zinc/83/00/35/434830035.db2.gz YPRKFYCFJLGDOW-WFASDCNBSA-N 0 0 307.821 3.325 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000424934584 434830051 /nfs/dbraw/zinc/83/00/51/434830051.db2.gz VXBQFRZOVDXMFE-YOEHRIQHSA-N 0 0 317.404 3.345 10 30 DGEERN C=C(C)COc1cccc(N2C(=O)[C@@H](CC(C)C)N(C)C2=O)c1 ZINC000445953490 434839550 /nfs/dbraw/zinc/83/95/50/434839550.db2.gz QYGFCRMWCYDMSI-MRXNPFEDSA-N 0 0 316.401 3.455 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OCC)ccc1Cl ZINC000573319116 434890702 /nfs/dbraw/zinc/89/07/02/434890702.db2.gz UXLWWDLTBVPMMT-NHYWBVRUSA-N 0 0 324.808 3.451 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(OCC3CCCCC3)CC2)n1 ZINC000553398440 434890804 /nfs/dbraw/zinc/89/08/04/434890804.db2.gz BQUYIHSTOUGUOE-UHFFFAOYSA-N 0 0 314.433 3.222 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000554218368 434918676 /nfs/dbraw/zinc/91/86/76/434918676.db2.gz NXPKWJGFAJKYHM-INIZCTEOSA-N 0 0 317.410 3.356 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC(C2CCC2)C1 ZINC000552890481 434872496 /nfs/dbraw/zinc/87/24/96/434872496.db2.gz WICRNMQUWKQPDW-GOSISDBHSA-N 0 0 312.413 3.220 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC[C@H](O)C1(C)C)c1ccc(F)c(F)c1 ZINC000463408160 434957312 /nfs/dbraw/zinc/95/73/12/434957312.db2.gz CAKUPSRBEXVJOQ-LSDHHAIUSA-N 0 0 324.371 3.137 10 30 DGEERN C=CCN(CCOC)C(=O)NCC1CC(c2ccccc2)C1 ZINC000555216685 434964957 /nfs/dbraw/zinc/96/49/57/434964957.db2.gz YDLKKWRIQAGKNL-UHFFFAOYSA-N 0 0 302.418 3.024 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000463570922 434966753 /nfs/dbraw/zinc/96/67/53/434966753.db2.gz RNXWGYVDRXKMOB-CQSZACIVSA-N 0 0 303.402 3.378 10 30 DGEERN C=CCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000463777711 434968905 /nfs/dbraw/zinc/96/89/05/434968905.db2.gz 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/nfs/dbraw/zinc/05/84/97/435058497.db2.gz GDGCIBKPCBTQCE-UHFFFAOYSA-N 0 0 304.390 3.303 10 30 DGEERN CC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530910201 435058834 /nfs/dbraw/zinc/05/88/34/435058834.db2.gz SAXGHCBQXDLMLU-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN COc1ccc(F)cc1[C@@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000530908066 435059407 /nfs/dbraw/zinc/05/94/07/435059407.db2.gz LMYWMYQXVMYMJY-GFCCVEGCSA-N 0 0 312.344 3.126 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466321867 435072389 /nfs/dbraw/zinc/07/23/89/435072389.db2.gz AQDMEOZDZYXFDF-ZWKOTPCHSA-N 0 0 315.461 3.257 10 30 DGEERN CCOC(=O)c1c(C#N)c(OC(F)F)ccc1C(F)(F)F ZINC000575387083 435034694 /nfs/dbraw/zinc/03/46/94/435034694.db2.gz UNVFPVKBRICHFG-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)c(CC)c1 ZINC000575389102 435034737 /nfs/dbraw/zinc/03/47/37/435034737.db2.gz XTQCZFKEBVOYFP-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)c1c(OC(F)F)ccc(C#N)c1C(F)(F)F ZINC000575387134 435034822 /nfs/dbraw/zinc/03/48/22/435034822.db2.gz WTUUBMSGWTWPFU-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000529352334 435035028 /nfs/dbraw/zinc/03/50/28/435035028.db2.gz XUJUCJMNZWTXGB-UKRRQHHQSA-N 0 0 324.218 3.041 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(SC(F)(F)F)c1C=O ZINC000575391837 435035029 /nfs/dbraw/zinc/03/50/29/435035029.db2.gz XASXRBMLMIJDCZ-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575394719 435035150 /nfs/dbraw/zinc/03/51/50/435035150.db2.gz UDENUOHNYFNGRT-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1ccc(C=O)c(SC(F)(F)F)c1C#N ZINC000575391830 435035370 /nfs/dbraw/zinc/03/53/70/435035370.db2.gz WXVCISAPAVHTLT-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(F)c(SC(F)(F)F)c1 ZINC000575390764 435035555 /nfs/dbraw/zinc/03/55/55/435035555.db2.gz YOYJGSGCFNVVJH-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1OC ZINC000575394593 435035644 /nfs/dbraw/zinc/03/56/44/435035644.db2.gz MCOHXLLJQDEZMF-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)Cc1c(C#N)c(C=O)ccc1SC(F)(F)F ZINC000575391238 435035708 /nfs/dbraw/zinc/03/57/08/435035708.db2.gz ITKFRGCKPQSWSN-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1ccc(SC(F)(F)F)c(OC)c1C#N ZINC000575394568 435035761 /nfs/dbraw/zinc/03/57/61/435035761.db2.gz JTAKPUIGWZLBQD-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN Cc1cc(I)c(CC#N)cc1OC(F)F ZINC000575663565 435039311 /nfs/dbraw/zinc/03/93/11/435039311.db2.gz BBMDPXWEEVQWHZ-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(I)c(OC(F)F)c(C#N)c1 ZINC000575664329 435040666 /nfs/dbraw/zinc/04/06/66/435040666.db2.gz YAGKIPCXPUEYAA-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1c(I)c(OC(F)F)ccc1C#N ZINC000575663825 435040838 /nfs/dbraw/zinc/04/08/38/435040838.db2.gz NVPCOOFVRFPSFD-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530037595 435042046 /nfs/dbraw/zinc/04/20/46/435042046.db2.gz KGGGGWSYSYKAOJ-MAUKXSAKSA-N 0 0 305.393 3.247 10 30 DGEERN N#Cc1c(I)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575671188 435042137 /nfs/dbraw/zinc/04/21/37/435042137.db2.gz OVOAKPWKPSWYSH-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC(F)F ZINC000575668317 435042330 /nfs/dbraw/zinc/04/23/30/435042330.db2.gz UXGWEHSKBPDJGY-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#CCc1cc([N+](=O)[O-])c(Br)cc1Br ZINC000575695172 435045100 /nfs/dbraw/zinc/04/51/00/435045100.db2.gz RATOGWGBDAUNDP-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN CCOc1cc(C)c(I)cc1CC#N ZINC000575697725 435046839 /nfs/dbraw/zinc/04/68/39/435046839.db2.gz IYRKHOPQOYUUMQ-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN COc1cc(Br)cc(Br)c1CC#N ZINC000575696141 435047176 /nfs/dbraw/zinc/04/71/76/435047176.db2.gz ZHJVNCYVGTTZBH-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN CSc1c(C)ccc(CC#N)c1I ZINC000575708333 435048993 /nfs/dbraw/zinc/04/89/93/435048993.db2.gz FWQZXRGAZCQNTL-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000576290763 435055555 /nfs/dbraw/zinc/05/55/55/435055555.db2.gz OVBWDLWNHGCCIT-UHFFFAOYSA-N 0 0 324.808 3.150 10 30 DGEERN C=CCn1c(CC)nnc1N(C)Cc1ccccc1OCC ZINC000558663117 435103227 /nfs/dbraw/zinc/10/32/27/435103227.db2.gz NXLMPWMZBXWFDV-UHFFFAOYSA-N 0 0 300.406 3.062 10 30 DGEERN C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000558984476 435118646 /nfs/dbraw/zinc/11/86/46/435118646.db2.gz BRFZWQDMWCSNEH-MRXNPFEDSA-N 0 0 316.449 3.127 10 30 DGEERN C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cc1 ZINC000467387153 435119474 /nfs/dbraw/zinc/11/94/74/435119474.db2.gz FGAMQMHXBIEJLK-CGTJXYLNSA-N 0 0 315.413 3.025 10 30 DGEERN C=CCOc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cc1 ZINC000467387156 435120490 /nfs/dbraw/zinc/12/04/90/435120490.db2.gz FGAMQMHXBIEJLK-SZMVWBNQSA-N 0 0 315.413 3.025 10 30 DGEERN Cc1cc(C#N)nc(Sc2nc3cc(Cl)ccc3n2C)n1 ZINC000561137738 435201774 /nfs/dbraw/zinc/20/17/74/435201774.db2.gz SRLAPGMSSSXSBI-UHFFFAOYSA-N 0 0 315.789 3.348 10 30 DGEERN CCC(CC)[C@@H](CCNC(=O)Cc1cccc(C#N)c1)OC ZINC000532621582 435180318 /nfs/dbraw/zinc/18/03/18/435180318.db2.gz VVPLTZLIYZWXEI-QGZVFWFLSA-N 0 0 302.418 3.058 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000580391123 435228191 /nfs/dbraw/zinc/22/81/91/435228191.db2.gz KTNOSUSYKHUHGA-DZGCQCFKSA-N 0 0 302.422 3.735 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CC12CCCC2 ZINC000582337280 435239392 /nfs/dbraw/zinc/23/93/92/435239392.db2.gz RSUFTEQTRORDSQ-INIZCTEOSA-N 0 0 300.402 3.383 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000582189255 435239530 /nfs/dbraw/zinc/23/95/30/435239530.db2.gz KSFINKZVUWDGFG-UHFFFAOYSA-N 0 0 315.417 3.464 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000583601929 435241972 /nfs/dbraw/zinc/24/19/72/435241972.db2.gz UEQKVGRYHXCSDW-QLPKVWCKSA-N 0 0 300.402 3.305 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000534097956 435265913 /nfs/dbraw/zinc/26/59/13/435265913.db2.gz UCBODKGEURKCMZ-HNNXBMFYSA-N 0 0 324.465 3.496 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(C(=O)NC)ccc1C ZINC000563360350 435266940 /nfs/dbraw/zinc/26/69/40/435266940.db2.gz HOUHIAGKWZULKN-UHFFFAOYSA-N 0 0 303.406 3.223 10 30 DGEERN CC#CCNC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000534207111 435270724 /nfs/dbraw/zinc/27/07/24/435270724.db2.gz GYVLZYUDGNHXDF-GFCCVEGCSA-N 0 0 308.784 3.219 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000477489403 435271716 /nfs/dbraw/zinc/27/17/16/435271716.db2.gz OUSAHUZXULDDCU-DLBZAZTESA-N 0 0 323.458 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000584109349 435274619 /nfs/dbraw/zinc/27/46/19/435274619.db2.gz QGMYHDAREXSNSQ-HNKHHVNMSA-N 0 0 320.820 3.086 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000565171361 435277652 /nfs/dbraw/zinc/27/76/52/435277652.db2.gz JWBAHRJWJHCSOR-UHFFFAOYSA-N 0 0 316.449 3.227 10 30 DGEERN C=C(C)[C@@H](NC(=O)N(C)Cc1cc[nH]n1)c1ccc(F)c(F)c1 ZINC000477753195 435279130 /nfs/dbraw/zinc/27/91/30/435279130.db2.gz XVBWKPKMAXBKFS-OAHLLOKOSA-N 0 0 320.343 3.147 10 30 DGEERN C=CCCCCCNC(=O)c1sc(-c2cnn(C)c2)nc1C ZINC000565841737 435281120 /nfs/dbraw/zinc/28/11/20/435281120.db2.gz JLVIAUFHDDTZCT-UHFFFAOYSA-N 0 0 318.446 3.328 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000565807410 435281361 /nfs/dbraw/zinc/28/13/61/435281361.db2.gz QORKVBJBGMTXFI-UHFFFAOYSA-N 0 0 315.417 3.455 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CCCC2 ZINC000566141465 435284605 /nfs/dbraw/zinc/28/46/05/435284605.db2.gz MPABPKKTNUEEQW-RDJZCZTQSA-N 0 0 300.402 3.278 10 30 DGEERN C[C@@H]1C[C@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477952549 435285612 /nfs/dbraw/zinc/28/56/12/435285612.db2.gz XGRFGMPRUUFBEG-YPMHNXCESA-N 0 0 310.319 3.012 10 30 DGEERN Cc1cc(C#N)cc(NCc2csc(-c3ccccc3)n2)n1 ZINC000587066694 435294066 /nfs/dbraw/zinc/29/40/66/435294066.db2.gz ZZZQVKHMBLGOMR-UHFFFAOYSA-N 0 0 306.394 3.997 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC(C)=C(C)C1 ZINC000567165968 435294203 /nfs/dbraw/zinc/29/42/03/435294203.db2.gz FIVOPLDACAFYTR-UHFFFAOYSA-N 0 0 315.446 3.443 10 30 DGEERN C=CCCCCS(=O)(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000562739749 435262658 /nfs/dbraw/zinc/26/26/58/435262658.db2.gz HLTNACJHWRCCFB-UHFFFAOYSA-N 0 0 318.341 3.279 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000568186253 435403737 /nfs/dbraw/zinc/40/37/37/435403737.db2.gz YMEXRHOLLXJSSP-CYBMUJFWSA-N 0 0 322.371 3.486 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000513695086 435396197 /nfs/dbraw/zinc/39/61/97/435396197.db2.gz YHYNWVOEOFPQMR-OLZOCXBDSA-N 0 0 307.356 3.405 10 30 DGEERN C=CCCCCCN1C(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000568169466 435397878 /nfs/dbraw/zinc/39/78/78/435397878.db2.gz KUMOWDKKJWIENT-INIZCTEOSA-N 0 0 300.402 3.238 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1ncsc1Br ZINC000359023390 527270545 /nfs/dbraw/zinc/27/05/45/527270545.db2.gz YHBPFDBCZRYPCM-MRVPVSSYSA-N 0 0 303.225 3.380 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483246078 435503399 /nfs/dbraw/zinc/50/33/99/435503399.db2.gz JGZNPSHCJVAWBU-SFHVURJKSA-N 0 0 320.408 3.091 10 30 DGEERN C=C[C@@H]1OCC[C@H]1Nc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000569899741 435569253 /nfs/dbraw/zinc/56/92/53/435569253.db2.gz SQFRHMFEYCTOKF-OLZOCXBDSA-N 0 0 300.362 3.010 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC=C(C)C1 ZINC000517565865 435602262 /nfs/dbraw/zinc/60/22/62/435602262.db2.gz NDPQRQQQXLFKEC-UHFFFAOYSA-N 0 0 301.419 3.052 10 30 DGEERN C=CCn1c(S[C@@H](C(C)=O)C(C)C)nnc1-c1cccnc1 ZINC000570800002 435652025 /nfs/dbraw/zinc/65/20/25/435652025.db2.gz CLMOOOVLPOUVCN-CQSZACIVSA-N 0 0 316.430 3.232 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000571160678 435682543 /nfs/dbraw/zinc/68/25/43/435682543.db2.gz QMGDQONMXLYRJN-VUCTXSBTSA-N 0 0 318.392 3.093 10 30 DGEERN N#Cc1ccc(C(=O)Nc2ccc(Cl)c3ccncc23)nc1 ZINC000571260054 435690933 /nfs/dbraw/zinc/69/09/33/435690933.db2.gz INFDFEZNHPFUCB-UHFFFAOYSA-N 0 0 308.728 3.407 10 30 DGEERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000571356356 435699911 /nfs/dbraw/zinc/69/99/11/435699911.db2.gz QQJLDUOKYRKEFK-LIRRHRJNSA-N 0 0 319.408 3.333 10 30 DGEERN N#Cc1ccc(C(=O)NC2(CCO)CCCCC2)cc1Cl ZINC000548637100 435705734 /nfs/dbraw/zinc/70/57/34/435705734.db2.gz GMYUYVAILJUZNI-UHFFFAOYSA-N 0 0 306.793 3.027 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2scnc2c1 ZINC000572132992 435784760 /nfs/dbraw/zinc/78/47/60/435784760.db2.gz VAJAPSXYIRKRPV-UHFFFAOYSA-N 0 0 317.414 3.097 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1ccc(C)cc1 ZINC000572871807 435878602 /nfs/dbraw/zinc/87/86/02/435878602.db2.gz YGMCIFKUEAVOOO-IRXDYDNUSA-N 0 0 302.418 3.118 10 30 DGEERN C=CCC1(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)CCOCC1 ZINC000572408900 435822428 /nfs/dbraw/zinc/82/24/28/435822428.db2.gz QGHKDBAFMBSRBF-MRXNPFEDSA-N 0 0 314.429 3.364 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000572871746 435879185 /nfs/dbraw/zinc/87/91/85/435879185.db2.gz UJUNLPVKSDKAMA-ULQDDVLXSA-N 0 0 300.402 3.028 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1c1cn[nH]c1 ZINC000174998896 303189584 /nfs/dbraw/zinc/18/95/84/303189584.db2.gz DAIXTRDDEYUIFS-GFCCVEGCSA-N 0 0 321.306 3.427 10 30 DGEERN O[C@H](CN(CCC(F)(F)F)CC(F)(F)F)CC(F)(F)F ZINC000447843889 304839641 /nfs/dbraw/zinc/83/96/41/304839641.db2.gz OITUXPSNHPROHW-LURJTMIESA-N 0 0 321.183 3.116 10 30 DGEERN COc1ccc(CNCc2ccc(C#N)o2)cc1OC(F)F ZINC000174258377 312761758 /nfs/dbraw/zinc/76/17/58/312761758.db2.gz INPVVIZCONCPJA-UHFFFAOYSA-N 0 0 308.284 3.051 10 30 DGEERN CC(C)N(CCc1nccs1)C(=O)Cc1ccc(C#N)cc1 ZINC000178912363 312793332 /nfs/dbraw/zinc/79/33/32/312793332.db2.gz GCPOBLQALGEQTQ-UHFFFAOYSA-N 0 0 313.426 3.037 10 30 DGEERN Cc1cnc([C@H](NC(=O)Cc2cccc(C#N)c2)C2CC2)s1 ZINC000530675573 313395627 /nfs/dbraw/zinc/39/56/27/313395627.db2.gz XNMXLDWWQXTEEJ-MRXNPFEDSA-N 0 0 311.410 3.133 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000532528340 313559138 /nfs/dbraw/zinc/55/91/38/313559138.db2.gz GMUWFIHRTPUZSJ-UHFFFAOYSA-N 0 0 310.744 3.269 10 30 DGEERN Cc1c[nH]c(-c2ccccc2NC(=O)Cc2cccc(C#N)c2)n1 ZINC000533183508 313602650 /nfs/dbraw/zinc/60/26/50/313602650.db2.gz UQZDJKJAUHHVGO-UHFFFAOYSA-N 0 0 316.364 3.438 10 30 DGEERN N#Cc1cnccc1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000545239976 314236846 /nfs/dbraw/zinc/23/68/46/314236846.db2.gz JFCOHAIZXDPOMF-MRXNPFEDSA-N 0 0 315.323 3.466 10 30 DGEERN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccncc3C#N)cc2)n1 ZINC000546653703 314319093 /nfs/dbraw/zinc/31/90/93/314319093.db2.gz IYHKPLMERFBKQJ-HNNXBMFYSA-N 0 0 317.396 3.351 10 30 DGEERN CC1CCC(Oc2cc(CNc3ccncc3C#N)ccn2)CC1 ZINC000547826007 314399564 /nfs/dbraw/zinc/39/95/64/314399564.db2.gz DJQLTXKQTWDPRG-UHFFFAOYSA-N 0 0 322.412 3.340 10 30 DGEERN N#Cc1cnccc1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000547826263 314399602 /nfs/dbraw/zinc/39/96/02/314399602.db2.gz NVIBXUFMXGPBLS-UHFFFAOYSA-N 0 0 320.396 3.116 10 30 DGEERN N#Cc1cnccc1Sc1nnc2sc3ccccc3n12 ZINC000547824432 314399703 /nfs/dbraw/zinc/39/97/03/314399703.db2.gz UOTSBEKSASNGBJ-UHFFFAOYSA-N 0 0 309.379 3.362 10 30 DGEERN Cc1cc(C)cc(-c2nnc(Sc3nc(C)cc(C#N)n3)o2)c1 ZINC000553247190 314637228 /nfs/dbraw/zinc/63/72/28/314637228.db2.gz MDLXHOOIMGHHHP-UHFFFAOYSA-N 0 0 323.381 3.475 10 30 DGEERN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000555096844 314711344 /nfs/dbraw/zinc/71/13/44/314711344.db2.gz GEFOEQITBUUCBU-IAGOWNOFSA-N 0 0 321.428 3.463 10 30 DGEERN COC[C@H](C)Nc1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000555889963 314738670 /nfs/dbraw/zinc/73/86/70/314738670.db2.gz RFCRZHFDOJVHBY-AWEZNQCLSA-N 0 0 323.396 3.186 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2c[nH]nc2-c2ccccc2F)c1 ZINC000558719230 314861591 /nfs/dbraw/zinc/86/15/91/314861591.db2.gz BGMDNIPFFNIIMS-UHFFFAOYSA-N 0 0 320.327 3.269 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000560453118 314921610 /nfs/dbraw/zinc/92/16/10/314921610.db2.gz HOEGMUCWWQIGQR-LLVKDONJSA-N 0 0 322.355 3.238 10 30 DGEERN CCO[C@H]1C[C@H](N(C)c2nc(C)cc(C#N)n2)C1(CC)CC ZINC000561223626 314959700 /nfs/dbraw/zinc/95/97/00/314959700.db2.gz CIWIRFXEABMCBB-GJZGRUSLSA-N 0 0 302.422 3.077 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccccc2OC(F)F)c1 ZINC000573869241 315908663 /nfs/dbraw/zinc/90/86/63/315908663.db2.gz OADFBROYQQEPCQ-UHFFFAOYSA-N 0 0 302.280 3.341 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183167542 323328569 /nfs/dbraw/zinc/32/85/69/323328569.db2.gz LUFIKCARSXEZPD-UHFFFAOYSA-N 0 0 322.290 3.268 10 30 DGEERN Cc1cc(Br)cc(C)c1CNc1ccnc(C#N)c1 ZINC000583398338 324349806 /nfs/dbraw/zinc/34/98/06/324349806.db2.gz MRJGPBPIAOFFDW-UHFFFAOYSA-N 0 0 316.202 3.367 10 30 DGEERN CO[C@H](C)[C@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000526044388 331593730 /nfs/dbraw/zinc/59/37/30/331593730.db2.gz QLESZBKVESFPQV-JKSUJKDBSA-N 0 0 307.393 3.240 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000186164466 332915972 /nfs/dbraw/zinc/91/59/72/332915972.db2.gz YABGOAOOIVDIPG-DOTOQJQBSA-N 0 0 316.445 3.123 10 30 DGEERN C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2)CC1 ZINC000558931186 331959563 /nfs/dbraw/zinc/95/95/63/331959563.db2.gz SLMRJJWYTOFXDO-UHFFFAOYSA-N 0 0 319.412 3.478 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000518367019 332018580 /nfs/dbraw/zinc/01/85/80/332018580.db2.gz KGMUEJRWRJHNMY-GWCFXTLKSA-N 0 0 314.307 3.418 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518468686 332058248 /nfs/dbraw/zinc/05/82/48/332058248.db2.gz KDDDSCWQWIZSCC-SNVBAGLBSA-N 0 0 316.279 3.275 10 30 DGEERN C=CCCCCCNC(=O)c1cnn(-c2nc(CC)cs2)c1 ZINC000584299799 332229470 /nfs/dbraw/zinc/22/94/70/332229470.db2.gz VTIGWRRWZYWJAG-UHFFFAOYSA-N 0 0 318.446 3.367 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000185004772 335103578 /nfs/dbraw/zinc/10/35/78/335103578.db2.gz JKNGSXRKMRARNM-NORZTCDRSA-N 0 0 309.356 3.201 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccnc1OCC(F)(F)F ZINC000185050198 335110548 /nfs/dbraw/zinc/11/05/48/335110548.db2.gz BMDVWFWEHWYJGP-NSHDSACASA-N 0 0 316.323 3.241 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000562632439 332611469 /nfs/dbraw/zinc/61/14/69/332611469.db2.gz KFZRNYXRKKVXPA-CJNGLKHVSA-N 0 0 319.449 3.225 10 30 DGEERN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000159577403 332669250 /nfs/dbraw/zinc/66/92/50/332669250.db2.gz YYSOEZTVGUFYME-QMTHXVAHSA-N 0 0 310.319 3.302 10 30 DGEERN CC(C)(C#N)CC[S@@](=O)Cc1nccn1Cc1ccccc1 ZINC000570140281 332716475 /nfs/dbraw/zinc/71/64/75/332716475.db2.gz DEOCYLMQXBQDKJ-JOCHJYFZSA-N 0 0 315.442 3.120 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000497772390 333289405 /nfs/dbraw/zinc/28/94/05/333289405.db2.gz FBRAKMGIQMQFSK-MSOLQXFVSA-N 0 0 303.446 3.192 10 30 DGEERN C=CCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000188415374 333365858 /nfs/dbraw/zinc/36/58/58/333365858.db2.gz CWIZPMYDHGRPDY-VIFPVBQESA-N 0 0 313.195 3.004 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000338123276 333470210 /nfs/dbraw/zinc/47/02/10/333470210.db2.gz VUPVQKGJPPQAKT-WFASDCNBSA-N 0 0 306.381 3.476 10 30 DGEERN C=CCCCN(C)C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000185736649 335147227 /nfs/dbraw/zinc/14/72/27/335147227.db2.gz IKMKLMDIFVBBGV-UHFFFAOYSA-N 0 0 305.328 3.189 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000185731770 335147306 /nfs/dbraw/zinc/14/73/06/335147306.db2.gz HEDSRGHFQZJQEO-KBPBESRZSA-N 0 0 315.335 3.252 10 30 DGEERN CC1CC(C#N)(C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000531808902 333562944 /nfs/dbraw/zinc/56/29/44/333562944.db2.gz FQQZUTBEQZWXCF-UHFFFAOYSA-N 0 0 312.291 3.141 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)cc1C(=O)NC1CC1 ZINC000185711579 335148651 /nfs/dbraw/zinc/14/86/51/335148651.db2.gz CYRQNTKOLFNZLY-LBPRGKRZSA-N 0 0 316.401 3.128 10 30 DGEERN C=CCCCCCNC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC000571295190 333710019 /nfs/dbraw/zinc/71/00/19/333710019.db2.gz QUDKAOCGLBVYFD-UHFFFAOYSA-N 0 0 323.458 3.183 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000412931623 333812513 /nfs/dbraw/zinc/81/25/13/333812513.db2.gz HRGFYOUTARONOC-UONOGXRCSA-N 0 0 305.443 3.246 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC000582183072 335736866 /nfs/dbraw/zinc/73/68/66/335736866.db2.gz ZIZPUOKHOFUQPV-MRXNPFEDSA-N 0 0 323.440 3.336 10 30 DGEERN C=CCN(CC=C)C(=O)CSc1nc2cc(C)ccc2o1 ZINC000113776248 335777428 /nfs/dbraw/zinc/77/74/28/335777428.db2.gz DFCHTLMPUPMHEK-UHFFFAOYSA-N 0 0 302.399 3.429 10 30 DGEERN C=CCCC[C@H](C)[NH+]1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000519769687 335895195 /nfs/dbraw/zinc/89/51/95/335895195.db2.gz VTUZVAWCWZCXJO-ZDUSSCGKSA-N 0 0 305.422 3.271 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@](C)(CO)C(C)C)c1 ZINC000580380964 336262799 /nfs/dbraw/zinc/26/27/99/336262799.db2.gz HJSQLPRTROFGEK-QGZVFWFLSA-N 0 0 306.406 3.170 10 30 DGEERN C=CCC[C@H](Nc1nc2c(cnn2C)c(N)n1)c1ccccc1 ZINC000302887505 336373417 /nfs/dbraw/zinc/37/34/17/336373417.db2.gz NVUASZOXNOWCIH-AWEZNQCLSA-N 0 0 308.389 3.065 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000514637595 336387101 /nfs/dbraw/zinc/38/71/01/336387101.db2.gz RWRPOIHBZVSHNU-PKOBYXMFSA-N 0 0 301.430 3.327 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N(C)CC(C)C ZINC000571680229 336396077 /nfs/dbraw/zinc/39/60/77/336396077.db2.gz PIBOEEQTCFENFK-UHFFFAOYSA-N 0 0 305.451 3.378 10 30 DGEERN C=CC[C@H]1N(C(=O)C2CN(CC(F)(F)F)C2)CCCC1(C)C ZINC000357349682 336582010 /nfs/dbraw/zinc/58/20/10/336582010.db2.gz URCROHYAJWKCSZ-CYBMUJFWSA-N 0 0 318.383 3.074 10 30 DGEERN C=CCOc1ccc(CNc2ccc(C(N)=O)c(F)c2)cc1 ZINC000359466962 336674135 /nfs/dbraw/zinc/67/41/35/336674135.db2.gz KUZQVTQRJUTLRX-UHFFFAOYSA-N 0 0 300.333 3.102 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OC(C)C ZINC000582483437 337097003 /nfs/dbraw/zinc/09/70/03/337097003.db2.gz JRRICIGMTGKBRN-ZFWWWQNUSA-N 0 0 304.390 3.186 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1CC(c2ccccc2)C1 ZINC000582602373 337112272 /nfs/dbraw/zinc/11/22/72/337112272.db2.gz CEIQOYIBKPYESS-STCOUPBVSA-N 0 0 314.429 3.071 10 30 DGEERN C=CC[C@H](C)NC(=O)NCCc1ccccc1Br ZINC000582747668 337132899 /nfs/dbraw/zinc/13/28/99/337132899.db2.gz FFLFYTYNGIZYGO-NSHDSACASA-N 0 0 311.223 3.255 10 30 DGEERN C=CCCCCCNC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000582854653 337210962 /nfs/dbraw/zinc/21/09/62/337210962.db2.gz TZOPCPBGOYCWQM-HNNXBMFYSA-N 0 0 303.406 3.210 10 30 DGEERN CCOC(=O)C([N+]#N)=C([O-])C(F)(F)C(F)(F)C(F)(F)F ZINC000584603217 337371138 /nfs/dbraw/zinc/37/11/38/337371138.db2.gz PJAXFZHTZFOPJE-UHFFFAOYSA-O 0 0 311.133 3.005 10 30 DGEERN CC[C@H](C=O)[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000584608753 337372077 /nfs/dbraw/zinc/37/20/77/337372077.db2.gz ZKHYPMADUKLPNI-BXKDBHETSA-N 0 0 300.152 3.035 10 30 DGEERN Cc1c2cc(C#N)cc(-c3ccnc(Cl)c3)c2[nH]c1C(N)=O ZINC000584618724 337373198 /nfs/dbraw/zinc/37/31/98/337373198.db2.gz MZMLOZLWQYJBLG-UHFFFAOYSA-N 0 0 310.744 3.162 10 30 DGEERN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2cccnc2Cl)cc1 ZINC000584633601 337377557 /nfs/dbraw/zinc/37/75/57/337377557.db2.gz VOGPHBMWTBQABR-ZDUSSCGKSA-N 0 0 306.774 3.082 10 30 DGEERN CN(Cc1ccc(C#N)cc1F)C(C)(C)C(=O)OC(C)(C)C ZINC000584642239 337380214 /nfs/dbraw/zinc/38/02/14/337380214.db2.gz DXBHGJSSCAAKBI-UHFFFAOYSA-N 0 0 306.381 3.249 10 30 DGEERN N#C[C@@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C1CC1 ZINC000161862260 337598290 /nfs/dbraw/zinc/59/82/90/337598290.db2.gz RITDYTIAVQRXRW-QZTJIDSGSA-N 0 0 306.365 3.225 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000527783849 337763902 /nfs/dbraw/zinc/76/39/02/337763902.db2.gz WWUXFWDAZWLSRK-DGCLKSJQSA-N 0 0 314.248 3.436 10 30 DGEERN C=C(Cl)COc1ccc([C@H](C)NCc2cnn(CC)n2)cc1 ZINC000527921583 337775111 /nfs/dbraw/zinc/77/51/11/337775111.db2.gz ODZXYCNOQBWEKF-ZDUSSCGKSA-N 0 0 320.824 3.280 10 30 DGEERN N#C[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000108831049 337841720 /nfs/dbraw/zinc/84/17/20/337841720.db2.gz KMLBCSIQZUUHRH-LBPRGKRZSA-N 0 0 317.801 3.495 10 30 DGEERN CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)CCO1 ZINC000504394797 340146899 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ZINC000507863544 340234454 /nfs/dbraw/zinc/23/44/54/340234454.db2.gz YJUWIKGMMZCWMO-INIZCTEOSA-N 0 0 318.486 3.423 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CCCC ZINC000508480555 340244543 /nfs/dbraw/zinc/24/45/43/340244543.db2.gz IDJIPRLFLBBWJF-UHFFFAOYSA-N 0 0 315.377 3.276 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@H](CCC)C1 ZINC000508496030 340244851 /nfs/dbraw/zinc/24/48/51/340244851.db2.gz BYAWMALHTZXFMA-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCCCN(C)c1nnc(C(F)(F)Oc2ccccc2)n1C ZINC000508552840 340246320 /nfs/dbraw/zinc/24/63/20/340246320.db2.gz OVGLABKPTYFIQN-UHFFFAOYSA-N 0 0 322.359 3.346 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC(=C)C ZINC000508685243 340250531 /nfs/dbraw/zinc/25/05/31/340250531.db2.gz YQOIZBOAYBYHRQ-UHFFFAOYSA-N 0 0 313.361 3.052 10 30 DGEERN C=CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000508700571 340250932 /nfs/dbraw/zinc/25/09/32/340250932.db2.gz QWUSPVNCYRGASA-HOTGVXAUSA-N 0 0 309.417 3.153 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC000508817712 340253674 /nfs/dbraw/zinc/25/36/74/340253674.db2.gz PBEQMOHMIJTJIN-UHFFFAOYSA-N 0 0 320.481 3.447 10 30 DGEERN C=CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000508831710 340253883 /nfs/dbraw/zinc/25/38/83/340253883.db2.gz GFPCOVZGCWJRJB-CALCHBBNSA-N 0 0 324.428 3.061 10 30 DGEERN C=CCCCN(C)c1nnc(COc2ccc(Cl)cc2)n1C ZINC000508969398 340256579 /nfs/dbraw/zinc/25/65/79/340256579.db2.gz BMKTURZGPMBGEI-UHFFFAOYSA-N 0 0 320.824 3.450 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H](C(C)C)C1 ZINC000508998922 340257661 /nfs/dbraw/zinc/25/76/61/340257661.db2.gz OHHIWDZYZIQTJO-HNNXBMFYSA-N 0 0 311.433 3.317 10 30 DGEERN COc1cccc(CCC(=O)N[C@@](C)(C#N)CC(C)C)c1F ZINC000509550748 340273271 /nfs/dbraw/zinc/27/32/71/340273271.db2.gz XYSGMXNTIDYCOF-QGZVFWFLSA-N 0 0 306.381 3.211 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]1C ZINC000511880982 340341560 /nfs/dbraw/zinc/34/15/60/340341560.db2.gz UDFNOKZQXSYPFR-IUODEOHRSA-N 0 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/nfs/dbraw/zinc/53/93/68/340539368.db2.gz XZXROJAMSDNWAC-LBPRGKRZSA-N 0 0 322.371 3.199 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000189682951 340539376 /nfs/dbraw/zinc/53/93/76/340539376.db2.gz XZXROJAMSDNWAC-GFCCVEGCSA-N 0 0 322.371 3.199 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000529499856 340758114 /nfs/dbraw/zinc/75/81/14/340758114.db2.gz AZTGCBXEOQBLOH-FZMZJTMJSA-N 0 0 314.212 3.243 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000529697867 340768113 /nfs/dbraw/zinc/76/81/13/340768113.db2.gz RMFSGTNPNBSIOI-YPMHNXCESA-N 0 0 316.426 3.239 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538685807 340837961 /nfs/dbraw/zinc/83/79/61/340837961.db2.gz YWENWODLLIRFHD-UHFFFAOYSA-N 0 0 302.683 3.402 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000542895778 341025589 /nfs/dbraw/zinc/02/55/89/341025589.db2.gz NSBSTTDOLRADCJ-GOSISDBHSA-N 0 0 315.417 3.461 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544133637 341071564 /nfs/dbraw/zinc/07/15/64/341071564.db2.gz VJCCODSYBLPYQK-QGZVFWFLSA-N 0 0 302.418 3.087 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000545954211 341148286 /nfs/dbraw/zinc/14/82/86/341148286.db2.gz BTEYJLYMUZTFHS-SNVBAGLBSA-N 0 0 303.362 3.121 10 30 DGEERN CSCCCCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000132959558 341150749 /nfs/dbraw/zinc/15/07/49/341150749.db2.gz FTGIGZIMQNVNJN-HNNXBMFYSA-N 0 0 305.447 3.474 10 30 DGEERN C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000134988118 341228060 /nfs/dbraw/zinc/22/80/60/341228060.db2.gz KSPXUORMBPTCFX-GOSISDBHSA-N 0 0 311.385 3.286 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000080980611 341277627 /nfs/dbraw/zinc/27/76/27/341277627.db2.gz XNAYTRSLEFGKJW-UHFFFAOYSA-N 0 0 309.369 3.428 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC000548951668 341282066 /nfs/dbraw/zinc/28/20/66/341282066.db2.gz QRDJDHIXWJYJFD-TXEJJXNPSA-N 0 0 304.419 3.054 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C#N)CC1 ZINC000549256475 341289787 /nfs/dbraw/zinc/28/97/87/341289787.db2.gz MAELJCKABGMDEL-UHFFFAOYSA-N 0 0 301.438 3.183 10 30 DGEERN C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000245521893 341299659 /nfs/dbraw/zinc/29/96/59/341299659.db2.gz CJADHBVBCPCLQF-RWMBFGLXSA-N 0 0 324.421 3.161 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC000549676174 341300325 /nfs/dbraw/zinc/30/03/25/341300325.db2.gz YXUXXLQNKOXGHU-HOTGVXAUSA-N 0 0 320.481 3.447 10 30 DGEERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000248463014 341378265 /nfs/dbraw/zinc/37/82/65/341378265.db2.gz AAEWCFHONAIOGG-MELADBBJSA-N 0 0 321.218 3.422 10 30 DGEERN CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000248463012 341378323 /nfs/dbraw/zinc/37/83/23/341378323.db2.gz AAEWCFHONAIOGG-BFHYXJOUSA-N 0 0 321.218 3.422 10 30 DGEERN C=C(C)[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000248834937 341388186 /nfs/dbraw/zinc/38/81/86/341388186.db2.gz 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/nfs/dbraw/zinc/52/42/78/341524278.db2.gz JNNBSAJGXDPGHN-CQSZACIVSA-N 0 0 320.383 3.428 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000565829011 341539548 /nfs/dbraw/zinc/53/95/48/341539548.db2.gz QEZWVCWKXIEZSF-YOEHRIQHSA-N 0 0 317.433 3.018 10 30 DGEERN C=CCCCCCNC(=O)NCc1cccc(OC)c1OC ZINC000566432186 341557947 /nfs/dbraw/zinc/55/79/47/341557947.db2.gz BBKBKAKSQOACPU-UHFFFAOYSA-N 0 0 306.406 3.249 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153704137 341577472 /nfs/dbraw/zinc/57/74/72/341577472.db2.gz YQHCTLZULLXGKD-AWEZNQCLSA-N 0 0 310.401 3.213 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@](C)(CC)CO ZINC000567516706 341611768 /nfs/dbraw/zinc/61/17/68/341611768.db2.gz GOARMAVRWUSQQH-AWEZNQCLSA-N 0 0 301.839 3.325 10 30 DGEERN C=CCCCCCNC(=O)c1ncc(C(=O)OCC)cc1Cl ZINC000573741935 341737926 /nfs/dbraw/zinc/73/79/26/341737926.db2.gz RQWFARILDWJHIT-UHFFFAOYSA-N 0 0 324.808 3.388 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000577383834 341907300 /nfs/dbraw/zinc/90/73/00/341907300.db2.gz KBMFVULEFWETFP-ZDUSSCGKSA-N 0 0 315.417 3.288 10 30 DGEERN COc1cccc([C@@H]2CN(CC#Cc3ccccc3)CCO2)c1 ZINC000192076542 533732806 /nfs/dbraw/zinc/73/28/06/533732806.db2.gz PAEATHOOPOSFMA-FQEVSTJZSA-N 0 0 307.393 3.120 10 30 DGEERN CSC[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180548187 533816425 /nfs/dbraw/zinc/81/64/25/533816425.db2.gz CNAGBYYPKQRPSL-OAHLLOKOSA-N 0 0 300.427 3.209 10 30 DGEERN COC(=O)c1ccc(F)c(CNc2ccc(Cl)c(C#N)n2)c1 ZINC000302152498 534169306 /nfs/dbraw/zinc/16/93/06/534169306.db2.gz HYWBINCMDXTZCP-UHFFFAOYSA-N 0 0 319.723 3.144 10 30 DGEERN C[C@@H](Cc1ccccc1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000358717077 534245502 /nfs/dbraw/zinc/24/55/02/534245502.db2.gz PZKJVOSBAOBQSQ-INIZCTEOSA-N 0 0 307.397 3.203 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCCCC)nc1 ZINC000469819380 534361285 /nfs/dbraw/zinc/36/12/85/534361285.db2.gz MQZLERQHDGOSCN-GDBMZVCRSA-N 0 0 304.390 3.180 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000469477085 534357225 /nfs/dbraw/zinc/35/72/25/534357225.db2.gz ZUNANUPXKFHGAQ-DAXOMENPSA-N 0 0 323.820 3.205 10 30 DGEERN C=CC[C@H](CC)NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489874427 534379071 /nfs/dbraw/zinc/37/90/71/534379071.db2.gz LPDPJNOAMJEKDZ-NSHDSACASA-N 0 0 310.444 3.238 10 30 DGEERN C=C(CC)CNC(=O)c1ccc(C)c(C(=O)NCC(=C)CC)c1 ZINC000456823235 534414904 /nfs/dbraw/zinc/41/49/04/534414904.db2.gz BMYWXDPAOYUJLM-UHFFFAOYSA-N 0 0 314.429 3.387 10 30 DGEERN C=CCn1c(N2CCC[C@H]2C(C)C)nnc1[C@]1(C)CCCO1 ZINC000453444801 534442272 /nfs/dbraw/zinc/44/22/72/534442272.db2.gz SXVKNXJPTMMUJW-YOEHRIQHSA-N 0 0 304.438 3.115 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000454707798 534516116 /nfs/dbraw/zinc/51/61/16/534516116.db2.gz LMRAEZIMZHRYMF-UHFFFAOYSA-N 0 0 308.378 3.046 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000458813164 534545595 /nfs/dbraw/zinc/54/55/95/534545595.db2.gz SKPHGQDJVCGWPS-AWEZNQCLSA-N 0 0 324.465 3.352 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000488838356 534554470 /nfs/dbraw/zinc/55/44/70/534554470.db2.gz LZYHFIZAOMHLQY-XYPHTWIQSA-N 0 0 312.413 3.462 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)cs1 ZINC000330162127 534564507 /nfs/dbraw/zinc/56/45/07/534564507.db2.gz AEGYTVIGIAKTTL-VHDGCEQUSA-N 0 0 321.446 3.070 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(F)c(CSC)c1 ZINC000456261843 534570538 /nfs/dbraw/zinc/57/05/38/534570538.db2.gz JTIKEIVNYQWWOC-CABCVRRESA-N 0 0 309.406 3.152 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000452148991 534579633 /nfs/dbraw/zinc/57/96/33/534579633.db2.gz RSAGUJDCTIQHEK-IMJJTQAJSA-N 0 0 305.805 3.247 10 30 DGEERN C=CCC1(C(=O)N2CCN(CC(F)F)[C@@H](CC)C2)CCCC1 ZINC000450320552 534584721 /nfs/dbraw/zinc/58/47/21/534584721.db2.gz ONZXHKHDKMEOFP-AWEZNQCLSA-N 0 0 314.420 3.311 10 30 DGEERN N#CCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000111325658 534627457 /nfs/dbraw/zinc/62/74/57/534627457.db2.gz XWJCUEAPHGETQF-AWEZNQCLSA-N 0 0 312.822 3.014 10 30 DGEERN N#CCCn1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)n1 ZINC000172089323 534658928 /nfs/dbraw/zinc/65/89/28/534658928.db2.gz JWPWPQWEUPAAAF-HNNXBMFYSA-N 0 0 308.385 3.245 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)c1cccc(N(C)C)c1 ZINC000471592608 534676722 /nfs/dbraw/zinc/67/67/22/534676722.db2.gz GLRSUMXWCWSTGA-UHFFFAOYSA-N 0 0 310.463 3.120 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000488848668 534689543 /nfs/dbraw/zinc/68/95/43/534689543.db2.gz CSHCIFSBNUPBPU-HNNXBMFYSA-N 0 0 315.413 3.346 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000495228227 534690323 /nfs/dbraw/zinc/69/03/23/534690323.db2.gz DGTMAFGTDKGVOX-HOCLYGCPSA-N 0 0 302.418 3.376 10 30 DGEERN N#CCOc1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000172896094 534696290 /nfs/dbraw/zinc/69/62/90/534696290.db2.gz BJCDUYWVVOWOMN-ROUUACIJSA-N 0 0 312.413 3.422 10 30 DGEERN N#CCSc1cccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000079412611 534708624 /nfs/dbraw/zinc/70/86/24/534708624.db2.gz SILHZUBGZRTHIV-HOTGVXAUSA-N 0 0 316.426 3.086 10 30 DGEERN C=CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000468395442 534731811 /nfs/dbraw/zinc/73/18/11/534731811.db2.gz MRMFHFZDIXMWJK-UHFFFAOYSA-N 0 0 317.370 3.414 10 30 DGEERN C=CCCCNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000468403142 534731868 /nfs/dbraw/zinc/73/18/68/534731868.db2.gz NYNHPJNVIOOILC-UHFFFAOYSA-N 0 0 309.413 3.365 10 30 DGEERN C=CCCCNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000468390301 534732174 /nfs/dbraw/zinc/73/21/74/534732174.db2.gz UFOGTSXDBFJWOB-UHFFFAOYSA-N 0 0 309.413 3.365 10 30 DGEERN C=CCCCS(=O)(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000489844617 534739083 /nfs/dbraw/zinc/73/90/83/534739083.db2.gz YJZYKOWSHNRZEU-UHFFFAOYSA-N 0 0 311.422 3.243 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000476523969 534761493 /nfs/dbraw/zinc/76/14/93/534761493.db2.gz MGMWWRHSGFTRPN-NSHDSACASA-N 0 0 310.444 3.319 10 30 DGEERN Cc1csc(N2CCC(C(=O)NCc3ncc(C)o3)CC2)n1 ZINC000330101436 534824548 /nfs/dbraw/zinc/82/45/48/534824548.db2.gz IAKNBUQQBTYIBX-UHFFFAOYSA-N 0 0 320.418 3.121 10 30 DGEERN COc1cccc(COCCNc2cc(C)nc(C)c2C#N)c1 ZINC000157976852 526052955 /nfs/dbraw/zinc/05/29/55/526052955.db2.gz HBMDYCYGAZHZNM-UHFFFAOYSA-N 0 0 311.385 3.207 10 30 DGEERN CC#CCCCC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376474759 526290995 /nfs/dbraw/zinc/29/09/95/526290995.db2.gz LSPCBLWUVZBBEH-UHFFFAOYSA-N 0 0 302.393 3.058 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1nnn(C(C)C)c1C ZINC000292308415 526312256 /nfs/dbraw/zinc/31/22/56/526312256.db2.gz QKGRKVIZFXGKNI-UHFFFAOYSA-N 0 0 312.417 3.038 10 30 DGEERN C=CCN(CCc1ccco1)Cc1nnc(-c2ccccc2)n1C ZINC000352701063 526327703 /nfs/dbraw/zinc/32/77/03/526327703.db2.gz DPICCEONGRBAGC-UHFFFAOYSA-N 0 0 322.412 3.306 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCOC(C)C ZINC000342358199 526345997 /nfs/dbraw/zinc/34/59/97/526345997.db2.gz HYSBXRHOGKDJBZ-UHFFFAOYSA-N 0 0 320.389 3.315 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(SC)CCC1 ZINC000447348453 526347067 /nfs/dbraw/zinc/34/70/67/526347067.db2.gz RNYIRDLBDKOKJV-UHFFFAOYSA-N 0 0 320.414 3.395 10 30 DGEERN CC#CCN(C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000297076530 526348329 /nfs/dbraw/zinc/34/83/29/526348329.db2.gz ANMFTCVCHWRNPV-OAHLLOKOSA-N 0 0 307.397 3.474 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000442972650 526348729 /nfs/dbraw/zinc/34/87/29/526348729.db2.gz LFFJVHOAGUYIAX-UHFFFAOYSA-N 0 0 317.389 3.435 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cnc2cnccc2c1 ZINC000336943677 526357061 /nfs/dbraw/zinc/35/70/61/526357061.db2.gz JWJZBIOEMLPCNJ-UHFFFAOYSA-N 0 0 303.365 3.458 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000425864161 526361948 /nfs/dbraw/zinc/36/19/48/526361948.db2.gz ZBCFQFKZEJBNMT-YOEHRIQHSA-N 0 0 318.392 3.114 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)Nc1c(C)nn(C)c1C ZINC000357833408 526371776 /nfs/dbraw/zinc/37/17/76/526371776.db2.gz VQNWZGUABXFLOH-UHFFFAOYSA-N 0 0 304.419 3.319 10 30 DGEERN C=CCN1C(=O)N(C[C@@H](C)C(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000431257027 526404434 /nfs/dbraw/zinc/40/44/34/526404434.db2.gz JQMJXGFVQWUJGS-NVXWUHKLSA-N 0 0 314.429 3.340 10 30 DGEERN C=CCN1C(=O)c2ccc(-c3nc(C4CCCC4)no3)cc2C1=O ZINC000345457185 526407949 /nfs/dbraw/zinc/40/79/49/526407949.db2.gz JBOHYGLMEZKUDA-UHFFFAOYSA-N 0 0 323.352 3.176 10 30 DGEERN C=C(C)C(C)(C)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000424835777 526428466 /nfs/dbraw/zinc/42/84/66/526428466.db2.gz WHRIXKKGCMJRNL-UHFFFAOYSA-N 0 0 300.402 3.136 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000424892059 526435025 /nfs/dbraw/zinc/43/50/25/526435025.db2.gz KSIUGYKPCJQITE-WCQYABFASA-N 0 0 309.431 3.040 10 30 DGEERN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc(Cl)c2F)C1=O ZINC000337232566 526472978 /nfs/dbraw/zinc/47/29/78/526472978.db2.gz VOJXBZNHNMHDAE-BXUZGUMPSA-N 0 0 310.800 3.259 10 30 DGEERN C=CCN1CC[C@@H](N(CC)c2ccc(Br)cc2)C1=O ZINC000337131293 526474777 /nfs/dbraw/zinc/47/47/77/526474777.db2.gz CKBSLWDAMJGQKY-CQSZACIVSA-N 0 0 323.234 3.062 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000367551145 526533032 /nfs/dbraw/zinc/53/30/32/526533032.db2.gz XLAZAVULCGVOAA-IRXDYDNUSA-N 0 0 302.418 3.372 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000132669519 526544810 /nfs/dbraw/zinc/54/48/10/526544810.db2.gz QLQDEMGUXJCAJP-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN C#CCC(CC#C)C(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000376930534 526670752 /nfs/dbraw/zinc/67/07/52/526670752.db2.gz HTOXMEBAJPIQPU-UHFFFAOYSA-N 0 0 312.800 3.014 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2cnn3c2CCCC3)c1 ZINC000126602927 526671726 /nfs/dbraw/zinc/67/17/26/526671726.db2.gz UTRDUKAQDHFTDI-UHFFFAOYSA-N 0 0 311.385 3.427 10 30 DGEERN C#CCC(CC#C)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000288363231 526673304 /nfs/dbraw/zinc/67/33/04/526673304.db2.gz MRMHEMRYNYKKMX-UHFFFAOYSA-N 0 0 309.743 3.211 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000367561132 526675068 /nfs/dbraw/zinc/67/50/68/526675068.db2.gz DQSYWQKPULSKOK-MRXNPFEDSA-N 0 0 318.420 3.113 10 30 DGEERN C#CCCCCC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000375994582 526687766 /nfs/dbraw/zinc/68/77/66/526687766.db2.gz NABWGIANMDHOSJ-KRWDZBQOSA-N 0 0 324.424 3.131 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC000185937394 526697133 /nfs/dbraw/zinc/69/71/33/526697133.db2.gz YCGLETFNXMPVGF-GFCCVEGCSA-N 0 0 307.463 3.011 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000185241149 526698964 /nfs/dbraw/zinc/69/89/64/526698964.db2.gz QDJRLWZLAKKIOT-OAHLLOKOSA-N 0 0 314.429 3.028 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000185841649 526699229 /nfs/dbraw/zinc/69/92/29/526699229.db2.gz WXCTWHBNYNYJCG-NVXWUHKLSA-N 0 0 317.429 3.381 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000185697141 526699587 /nfs/dbraw/zinc/69/95/87/526699587.db2.gz JBWKPRJRHPBQRD-CQSZACIVSA-N 0 0 315.392 3.272 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000185376247 526700329 /nfs/dbraw/zinc/70/03/29/526700329.db2.gz VJOUIPKAMXKIQX-OLZOCXBDSA-N 0 0 300.402 3.351 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nccn1CCc1ccccc1 ZINC000185803492 526700881 /nfs/dbraw/zinc/70/08/81/526700881.db2.gz KTBAAEATNJJJIK-MRXNPFEDSA-N 0 0 311.429 3.344 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000185079520 526701107 /nfs/dbraw/zinc/70/11/07/526701107.db2.gz NUABHXIPALQFHP-CZUORRHYSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000185139465 526701834 /nfs/dbraw/zinc/70/18/34/526701834.db2.gz SKAYTQKTCPHXAU-CQSZACIVSA-N 0 0 300.402 3.463 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000185170464 526701993 /nfs/dbraw/zinc/70/19/93/526701993.db2.gz HPOVDAFYEQGQHA-NVXWUHKLSA-N 0 0 314.429 3.069 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1N1CCC(O)CC1 ZINC000185438129 526703973 /nfs/dbraw/zinc/70/39/73/526703973.db2.gz FPZXIEQOQWTKTB-CQSZACIVSA-N 0 0 302.418 3.189 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000184981971 526704706 /nfs/dbraw/zinc/70/47/06/526704706.db2.gz CUJZWVRJKXDFRD-AWEZNQCLSA-N 0 0 302.418 3.303 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)Nc2cccc(OC)c2)no1 ZINC000288988719 526705310 /nfs/dbraw/zinc/70/53/10/526705310.db2.gz CQTIXYXYNZPWCO-GFCCVEGCSA-N 0 0 315.373 3.329 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC000185225852 526706384 /nfs/dbraw/zinc/70/63/84/526706384.db2.gz TVJMTXPRARVUKU-HNNXBMFYSA-N 0 0 308.466 3.086 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(c2nncn2C(C)C)CC1 ZINC000186311495 526707085 /nfs/dbraw/zinc/70/70/85/526707085.db2.gz VSYGICCSFASEQT-AWEZNQCLSA-N 0 0 304.438 3.167 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000430183080 526710903 /nfs/dbraw/zinc/71/09/03/526710903.db2.gz ZZYVDQGNQFDFPX-QANKJYHBSA-N 0 0 305.393 3.010 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000185982327 526711817 /nfs/dbraw/zinc/71/18/17/526711817.db2.gz MOAPBNFBNREPJV-STQMWFEESA-N 0 0 323.462 3.215 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000185600013 526712576 /nfs/dbraw/zinc/71/25/76/526712576.db2.gz IWKVPIBFNJCBJP-JKSUJKDBSA-N 0 0 316.445 3.383 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000186011143 526713021 /nfs/dbraw/zinc/71/30/21/526713021.db2.gz RXGKLAMTKXWAGO-UONOGXRCSA-N 0 0 319.401 3.018 10 30 DGEERN C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000435401644 526713375 /nfs/dbraw/zinc/71/33/75/526713375.db2.gz LPEASIRZQOSQTI-SJORKVTESA-N 0 0 303.402 3.004 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000185089315 526713650 /nfs/dbraw/zinc/71/36/50/526713650.db2.gz SNXGNSIIWYVGMA-NSHDSACASA-N 0 0 320.345 3.297 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000184981347 526714469 /nfs/dbraw/zinc/71/44/69/526714469.db2.gz XDJXUSRZJZPOQE-JTQLQIEISA-N 0 0 317.357 3.224 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1 ZINC000294174592 526714591 /nfs/dbraw/zinc/71/45/91/526714591.db2.gz WAOFSLISYPJRIN-JTQLQIEISA-N 0 0 310.419 3.135 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1ccccn1 ZINC000338794959 526718998 /nfs/dbraw/zinc/71/89/98/526718998.db2.gz MSWYYDKUWASOPU-UHFFFAOYSA-N 0 0 309.373 3.146 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000359109088 526722190 /nfs/dbraw/zinc/72/21/90/526722190.db2.gz MIELVQWZLFKEGC-JKSUJKDBSA-N 0 0 318.465 3.337 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@H](CO)[C@H]1C ZINC000414546603 526728510 /nfs/dbraw/zinc/72/85/10/526728510.db2.gz YGFVHCAKWRLLJL-HZPDHXFCSA-N 0 0 320.481 3.040 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N(CC1CC1)CC1CC1 ZINC000358807102 526730236 /nfs/dbraw/zinc/73/02/36/526730236.db2.gz OFUVNCZQKLWOEV-UHFFFAOYSA-N 0 0 304.438 3.017 10 30 DGEERN C=CCOCCCC(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000183625358 526732745 /nfs/dbraw/zinc/73/27/45/526732745.db2.gz YBAVOVWQPMZKBD-KRWDZBQOSA-N 0 0 316.445 3.097 10 30 DGEERN C#CCCNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000369286828 526733366 /nfs/dbraw/zinc/73/33/66/526733366.db2.gz XFVOQTYEAMJKLL-AWEZNQCLSA-N 0 0 321.218 3.319 10 30 DGEERN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCC1 ZINC000338826259 526736529 /nfs/dbraw/zinc/73/65/29/526736529.db2.gz BRIYJCWTEOJARW-INIZCTEOSA-N 0 0 310.401 3.131 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2[C@H]1C ZINC000359116179 526736833 /nfs/dbraw/zinc/73/68/33/526736833.db2.gz OJEFPFNJNLOAFC-GDBMZVCRSA-N 0 0 324.428 3.439 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H](c1nccs1)C(F)(F)F)OCC ZINC000356911706 526750371 /nfs/dbraw/zinc/75/03/71/526750371.db2.gz JFBDENQKPLHXKZ-KOLCDFICSA-N 0 0 322.352 3.234 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CCOCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000373466867 526755415 /nfs/dbraw/zinc/75/54/15/526755415.db2.gz RFHVHIJTTXRQNU-BLLLJJGKSA-N 0 0 324.371 3.402 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)Cc1ccccc1OCC)OCC ZINC000339201636 526806224 /nfs/dbraw/zinc/80/62/24/526806224.db2.gz MPNNYPNNFZNJNO-KRWDZBQOSA-N 0 0 305.418 3.415 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCOc1ccc(F)cc1 ZINC000345868393 526836508 /nfs/dbraw/zinc/83/65/08/526836508.db2.gz OAOBXUUPWFAJLD-IAGOWNOFSA-N 0 0 321.392 3.034 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000345708799 526841060 /nfs/dbraw/zinc/84/10/60/526841060.db2.gz WGTNEGCATFHQBN-ZIAGYGMSSA-N 0 0 324.218 3.047 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](CC)C(F)(F)F)cc1OC ZINC000346878452 526851916 /nfs/dbraw/zinc/85/19/16/526851916.db2.gz AHLAHJSGHJZGHF-CYBMUJFWSA-N 0 0 317.307 3.331 10 30 DGEERN C=C(CNC(=O)N1CCC[C@]2(CCCOC2)C1)c1ccccc1 ZINC000358586439 526867926 /nfs/dbraw/zinc/86/79/26/526867926.db2.gz JQAXSOAHBSOZTK-IBGZPJMESA-N 0 0 314.429 3.302 10 30 DGEERN C=C1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCOC2)CC1 ZINC000339160775 526909176 /nfs/dbraw/zinc/90/91/76/526909176.db2.gz WXOBNQWDGMYFGQ-INIZCTEOSA-N 0 0 318.465 3.060 10 30 DGEERN C=C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CC)CC1 ZINC000338601871 526909385 /nfs/dbraw/zinc/90/93/85/526909385.db2.gz LLNZKIZUUUYHBZ-MRXNPFEDSA-N 0 0 310.401 3.131 10 30 DGEERN C=CCOc1ccccc1CNCc1ncn(-c2ccccc2)n1 ZINC000339581567 526950296 /nfs/dbraw/zinc/95/02/96/526950296.db2.gz LYIMAZXFZOUXHB-UHFFFAOYSA-N 0 0 320.396 3.122 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(CC(=O)N(C)C)cc1 ZINC000124763469 526951637 /nfs/dbraw/zinc/95/16/37/526951637.db2.gz HIAVDPPGUUDCME-UHFFFAOYSA-N 0 0 324.424 3.494 10 30 DGEERN C=CCOc1cccnc1C(=O)N(C)Cc1ccc(F)cc1 ZINC000341421911 526953225 /nfs/dbraw/zinc/95/32/25/526953225.db2.gz WOGGKPLADRYOPH-UHFFFAOYSA-N 0 0 300.333 3.058 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000342825409 526993771 /nfs/dbraw/zinc/99/37/71/526993771.db2.gz GWHNWADAXULXGD-NSHDSACASA-N 0 0 324.446 3.408 10 30 DGEERN C=CCSCCNC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000345266355 526996121 /nfs/dbraw/zinc/99/61/21/526996121.db2.gz OEQCENXZWQWKCI-UHFFFAOYSA-N 0 0 321.446 3.322 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000342539886 527009026 /nfs/dbraw/zinc/00/90/26/527009026.db2.gz CHQAZVRSULBMNB-DZGCQCFKSA-N 0 0 305.443 3.462 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129210694 527023741 /nfs/dbraw/zinc/02/37/41/527023741.db2.gz LITXKSUITRKBRS-CJNGLKHVSA-N 0 0 306.381 3.182 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000083230056 527028062 /nfs/dbraw/zinc/02/80/62/527028062.db2.gz PJHWQKHOCGSOKI-GDBMZVCRSA-N 0 0 318.417 3.253 10 30 DGEERN C=CCC(F)(F)c1nc(-c2cccc(-c3n[nH]c(C)n3)c2)no1 ZINC000340628915 527037394 /nfs/dbraw/zinc/03/73/94/527037394.db2.gz DHUKKQOHFVUCLU-UHFFFAOYSA-N 0 0 317.299 3.498 10 30 DGEERN C=CCC1(C(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)CCOCC1 ZINC000424880580 527040014 /nfs/dbraw/zinc/04/00/14/527040014.db2.gz MDVDIUMGVHBWGN-INIZCTEOSA-N 0 0 321.461 3.023 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NC1(c2noc(C(F)F)n2)CCC1 ZINC000366173987 527042471 /nfs/dbraw/zinc/04/24/71/527042471.db2.gz VTOCZMWLQSVFFE-SECBINFHSA-N 0 0 314.336 3.040 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000341660013 527049054 /nfs/dbraw/zinc/04/90/54/527049054.db2.gz YOXXMEXFCBOALQ-AEFFLSMTSA-N 0 0 317.429 3.394 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000337089344 527050928 /nfs/dbraw/zinc/05/09/28/527050928.db2.gz IKLFVTBEJVJPLJ-SNVBAGLBSA-N 0 0 314.288 3.281 10 30 DGEERN C=CCC1(C(=O)NCCCOc2ccc(C)cc2)CCOCC1 ZINC000424633068 527052308 /nfs/dbraw/zinc/05/23/08/527052308.db2.gz CJFJOQBRIVXEMS-UHFFFAOYSA-N 0 0 317.429 3.253 10 30 DGEERN C=CCC1(C(=O)Nc2cc(F)c(OC)cc2F)CCOCC1 ZINC000424719850 527060730 /nfs/dbraw/zinc/06/07/30/527060730.db2.gz JJDJYARZQMEEAP-UHFFFAOYSA-N 0 0 311.328 3.285 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000185783735 527085954 /nfs/dbraw/zinc/08/59/54/527085954.db2.gz YNWBJMXCPYZXFD-ZDUSSCGKSA-N 0 0 315.335 3.036 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000337040809 527087136 /nfs/dbraw/zinc/08/71/36/527087136.db2.gz AZSWXWRBADZWFJ-HNNXBMFYSA-N 0 0 320.820 3.128 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000183208505 527095488 /nfs/dbraw/zinc/09/54/88/527095488.db2.gz AMGHMGHAOGFLST-AWEZNQCLSA-N 0 0 315.373 3.017 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000185695322 527098044 /nfs/dbraw/zinc/09/80/44/527098044.db2.gz DMKUNVUDTFFEGC-ZDUSSCGKSA-N 0 0 323.820 3.328 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000337050102 527099414 /nfs/dbraw/zinc/09/94/14/527099414.db2.gz IZKPAIWQDGZXSH-HNNXBMFYSA-N 0 0 322.364 3.162 10 30 DGEERN Cn1c2ccccc2nc1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033603597 527114376 /nfs/dbraw/zinc/11/43/76/527114376.db2.gz QLGQOUVMKNUCNU-VURMDHGXSA-N 0 0 306.321 3.198 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000365475757 527134654 /nfs/dbraw/zinc/13/46/54/527134654.db2.gz RGBOYKDPRLIMLD-NSHDSACASA-N 0 0 302.353 3.312 10 30 DGEERN C=CC[C@H](C)[C@H](C)N[C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000428373941 527141993 /nfs/dbraw/zinc/14/19/93/527141993.db2.gz MEQIYAVVQSHYNL-DCGLDWPTSA-N 0 0 321.417 3.108 10 30 DGEERN C=CC[C@H](CC)NC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000369147056 527151391 /nfs/dbraw/zinc/15/13/91/527151391.db2.gz FRSRNXBQWQVGAN-MOKVOYLWSA-N 0 0 306.410 3.058 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000173844704 527189158 /nfs/dbraw/zinc/18/91/58/527189158.db2.gz IEXBLAHFTHXIAW-OAHLLOKOSA-N 0 0 320.820 3.118 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000076492588 527190133 /nfs/dbraw/zinc/19/01/33/527190133.db2.gz RMXPVHMFGGMBCS-KRWDZBQOSA-N 0 0 303.402 3.283 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000127236134 527190559 /nfs/dbraw/zinc/19/05/59/527190559.db2.gz ITMJDPLLRDFQOB-UHFFFAOYSA-N 0 0 303.387 3.064 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000368421791 527193514 /nfs/dbraw/zinc/19/35/14/527193514.db2.gz HJLIHOZHJPOTIH-JKSUJKDBSA-N 0 0 307.397 3.414 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000185245230 527194937 /nfs/dbraw/zinc/19/49/37/527194937.db2.gz SZLUFPDSALYVTO-GOSISDBHSA-N 0 0 324.424 3.055 10 30 DGEERN C=CCCCN(C)c1nnc(COc2cccc(C)c2)n1C ZINC000337860748 527195463 /nfs/dbraw/zinc/19/54/63/527195463.db2.gz MRGZDHHOQONJCG-UHFFFAOYSA-N 0 0 300.406 3.105 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC000183314919 527199329 /nfs/dbraw/zinc/19/93/29/527199329.db2.gz ZCYUENLRTVXQDF-GXTWGEPZSA-N 0 0 308.447 3.096 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000183321842 527200083 /nfs/dbraw/zinc/20/00/83/527200083.db2.gz HZLIHWFBZNDLNA-CVEARBPZSA-N 0 0 322.836 3.417 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1COC(C)(C)CC ZINC000350982180 527202242 /nfs/dbraw/zinc/20/22/42/527202242.db2.gz IFPWMWFRPRFMST-OAHLLOKOSA-N 0 0 320.433 3.450 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C ZINC000184300030 527204182 /nfs/dbraw/zinc/20/41/82/527204182.db2.gz MHDWRKMLRGBLEW-CYBMUJFWSA-N 0 0 317.414 3.177 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000337069787 527206483 /nfs/dbraw/zinc/20/64/83/527206483.db2.gz MJFGRTCOFHSJAL-SECBINFHSA-N 0 0 310.806 3.063 10 30 DGEERN CC(=O)c1cc(C(O)=C(C#N)c2nccc3ccccc32)n(C)c1 ZINC000361542943 527206648 /nfs/dbraw/zinc/20/66/48/527206648.db2.gz IUGZKLRKORVHPI-INIZCTEOSA-N 0 0 317.348 3.266 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cccc(NCC(C)(C)C)c1C ZINC000185382368 527207934 /nfs/dbraw/zinc/20/79/34/527207934.db2.gz MHHVJTNURWQAKW-CQSZACIVSA-N 0 0 304.434 3.120 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000185791254 527209909 /nfs/dbraw/zinc/20/99/09/527209909.db2.gz GFBJNKXZZOGTPK-GFCCVEGCSA-N 0 0 322.817 3.130 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC1(C)C ZINC000413577804 527219534 /nfs/dbraw/zinc/21/95/34/527219534.db2.gz IXDCTQSMAIEREI-HZPDHXFCSA-N 0 0 302.418 3.041 10 30 DGEERN C=CCCCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000448044153 527220165 /nfs/dbraw/zinc/22/01/65/527220165.db2.gz RRXVLGSIPUVYFE-UHFFFAOYSA-N 0 0 317.220 3.066 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ccc(OC)nc1 ZINC000443424182 527246499 /nfs/dbraw/zinc/24/64/99/527246499.db2.gz FLZSFBAFIUYNOG-UHFFFAOYSA-N 0 0 300.314 3.306 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCC[S@](C)=O ZINC000191515032 527258779 /nfs/dbraw/zinc/25/87/79/527258779.db2.gz OMPBLCAMVRECQP-QFIPXVFZSA-N 0 0 322.474 3.429 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC(=O)NC1 ZINC000356197541 527259234 /nfs/dbraw/zinc/25/92/34/527259234.db2.gz XJHKUHQEEGFFJS-AWEZNQCLSA-N 0 0 300.402 3.003 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NC1CCN(c2ccccn2)CC1 ZINC000180558706 527265134 /nfs/dbraw/zinc/26/51/34/527265134.db2.gz IILLOUNKIOSJAS-OAHLLOKOSA-N 0 0 316.449 3.094 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N(CC)CCOCC ZINC000350623831 527266583 /nfs/dbraw/zinc/26/65/83/527266583.db2.gz UXCDKUOOPCBRAH-UHFFFAOYSA-N 0 0 318.421 3.204 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000350667618 527282515 /nfs/dbraw/zinc/28/25/15/527282515.db2.gz PXBUKUVEVLUMKP-ZFWWWQNUSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000350667616 527283827 /nfs/dbraw/zinc/28/38/27/527283827.db2.gz PXBUKUVEVLUMKP-HIFRSBDPSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCN(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000342395792 527310081 /nfs/dbraw/zinc/31/00/81/527310081.db2.gz ZGHUNFRDXDYDAU-UHFFFAOYSA-N 0 0 314.332 3.014 10 30 DGEERN C=CCCN(C)C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000342011201 527318159 /nfs/dbraw/zinc/31/81/59/527318159.db2.gz XWYUPTGOHIOZHB-UHFFFAOYSA-N 0 0 303.793 3.482 10 30 DGEERN C=CCn1c(COc2ccccc2F)nnc1N(CC)C1CC1 ZINC000290436437 527325468 /nfs/dbraw/zinc/32/54/68/527325468.db2.gz RCAUIOZFLMWUCQ-UHFFFAOYSA-N 0 0 316.380 3.171 10 30 DGEERN C=CCn1c(N2CCC(OCC(C)C)CC2)nnc1C(C)(C)C ZINC000337913407 527330523 /nfs/dbraw/zinc/33/05/23/527330523.db2.gz REIHCOYWWMSUPF-UHFFFAOYSA-N 0 0 320.481 3.403 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000342980428 527330695 /nfs/dbraw/zinc/33/06/95/527330695.db2.gz PNYFSDOLPVAZEJ-GOSISDBHSA-N 0 0 309.450 3.169 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000351919023 527333404 /nfs/dbraw/zinc/33/34/04/527333404.db2.gz LGDRPMYPYRQBEX-JKSUJKDBSA-N 0 0 311.466 3.005 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC000424117346 527351596 /nfs/dbraw/zinc/35/15/96/527351596.db2.gz BJPUMNKTLHJDIY-MJBXVCDLSA-N 0 0 322.478 3.036 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1C ZINC000350728450 527353320 /nfs/dbraw/zinc/35/33/20/527353320.db2.gz BXQXVPKHLBPKOM-BBRMVZONSA-N 0 0 310.401 3.129 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC=C(C)C1 ZINC000350729037 527360958 /nfs/dbraw/zinc/36/09/58/527360958.db2.gz IDZTVQJVWGAJDR-QGZVFWFLSA-N 0 0 322.412 3.297 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159560542 527383093 /nfs/dbraw/zinc/38/30/93/527383093.db2.gz AMVAGRVYUQQQPS-CABCVRRESA-N 0 0 313.401 3.031 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC000442927121 527403819 /nfs/dbraw/zinc/40/38/19/527403819.db2.gz SXVAAJXWIQPDAM-SECBINFHSA-N 0 0 319.279 3.211 10 30 DGEERN C=C[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000362602198 527411782 /nfs/dbraw/zinc/41/17/82/527411782.db2.gz SYFUSECXPWQARW-GFCCVEGCSA-N 0 0 300.406 3.440 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000435123471 527417185 /nfs/dbraw/zinc/41/71/85/527417185.db2.gz HBLNBPQBVXSRFZ-IAGOWNOFSA-N 0 0 323.458 3.181 10 30 DGEERN C=CCC[C@@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000358163120 527423287 /nfs/dbraw/zinc/42/32/87/527423287.db2.gz IBEARHRKWHJZIW-HZPDHXFCSA-N 0 0 309.413 3.133 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)CC(C)(C)OC)c1ccccc1 ZINC000290748557 527449877 /nfs/dbraw/zinc/44/98/77/527449877.db2.gz MNNIIVDWMWPLHH-OAHLLOKOSA-N 0 0 311.447 3.038 10 30 DGEERN C=CCC[C@@H](O)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305533 527455037 /nfs/dbraw/zinc/45/50/37/527455037.db2.gz LUAYGKCBXYCSOQ-CABCVRRESA-N 0 0 305.422 3.191 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000425573990 527494185 /nfs/dbraw/zinc/49/41/85/527494185.db2.gz KXQKVPOEQMQHPI-IHRRRGAJSA-N 0 0 306.431 3.186 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H](C)c1ccccc1 ZINC000425435206 527495805 /nfs/dbraw/zinc/49/58/05/527495805.db2.gz RPPJUFCXLQTALE-XIRDDKMYSA-N 0 0 302.418 3.071 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1cnn2ccc(C)nc12 ZINC000337174937 527510658 /nfs/dbraw/zinc/51/06/58/527510658.db2.gz IIBKMUODJIFZDG-UHFFFAOYSA-N 0 0 306.369 3.409 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000428060908 527533339 /nfs/dbraw/zinc/53/33/39/527533339.db2.gz FNFLZFQHAKKDOA-INIZCTEOSA-N 0 0 319.430 3.316 10 30 DGEERN C=CCN(C(=O)CCC(C)C)c1nc(C(=O)OCC)cs1 ZINC000337045987 527533540 /nfs/dbraw/zinc/53/35/40/527533540.db2.gz LEQFVVFRSIARKT-UHFFFAOYSA-N 0 0 310.419 3.275 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000346398762 527535494 /nfs/dbraw/zinc/53/54/94/527535494.db2.gz ZUKGUZNWRDZKCS-SFHVURJKSA-N 0 0 324.384 3.403 10 30 DGEERN C=CCN(C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1)C1CC1 ZINC000344621603 527540480 /nfs/dbraw/zinc/54/04/80/527540480.db2.gz JPYVDHJWNYRBNO-UHFFFAOYSA-N 0 0 313.357 3.137 10 30 DGEERN C=C[C@@](C)(O)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000355507972 527545949 /nfs/dbraw/zinc/54/59/49/527545949.db2.gz JUUAWXARHMATOD-HXUWFJFHSA-N 0 0 320.392 3.169 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccc(N(C)C)cc1 ZINC000299296922 527585047 /nfs/dbraw/zinc/58/50/47/527585047.db2.gz MFGXUWUNCDATQR-UHFFFAOYSA-N 0 0 314.351 3.262 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(OC)c(OC)cc1C ZINC000176073343 527587782 /nfs/dbraw/zinc/58/77/82/527587782.db2.gz JEQFXJBCNNNIHI-UHFFFAOYSA-N 0 0 317.307 3.203 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089778506 527589448 /nfs/dbraw/zinc/58/94/48/527589448.db2.gz SXSMGOVHDSNPNE-SECBINFHSA-N 0 0 320.336 3.185 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000357156339 527602913 /nfs/dbraw/zinc/60/29/13/527602913.db2.gz ZFRDYNKULHXQPN-KBPBESRZSA-N 0 0 301.434 3.205 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000442804839 527606774 /nfs/dbraw/zinc/60/67/74/527606774.db2.gz WUXFWQKISJMLBI-MRXNPFEDSA-N 0 0 307.463 3.457 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000353485597 527616842 /nfs/dbraw/zinc/61/68/42/527616842.db2.gz CKFSKSRSZUYKPQ-SJLPKXTDSA-N 0 0 309.450 3.023 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000439654429 527621946 /nfs/dbraw/zinc/62/19/46/527621946.db2.gz YUADEQCTDDUILX-CKEIUWERSA-N 0 0 300.402 3.323 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000350230682 527625347 /nfs/dbraw/zinc/62/53/47/527625347.db2.gz ZVTHMCYKHYWRSO-UHFFFAOYSA-N 0 0 300.387 3.411 10 30 DGEERN C=CCN(CCC#N)C(=O)CSc1ccc2c(c1)CCC2 ZINC000359408262 527654201 /nfs/dbraw/zinc/65/42/01/527654201.db2.gz DLFJXCAMMSRJBD-UHFFFAOYSA-N 0 0 300.427 3.196 10 30 DGEERN CCO[C@H](CCNC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000181526213 528048093 /nfs/dbraw/zinc/04/80/93/528048093.db2.gz ZVDBAKSIALWHMX-QGZVFWFLSA-N 0 0 314.429 3.423 10 30 DGEERN CCCOc1cc(OC)ccc1C(=O)Nc1cc(C#N)ccn1 ZINC000436021566 528637501 /nfs/dbraw/zinc/63/75/01/528637501.db2.gz VVKKKLWONSRZBU-UHFFFAOYSA-N 0 0 311.341 3.003 10 30 DGEERN CC(=O)Nc1cc(NC(=O)N2CCO[C@@H](C3CC3)C2)ccc1F ZINC000330131417 528746424 /nfs/dbraw/zinc/74/64/24/528746424.db2.gz KXHVAHPARUHADD-OAHLLOKOSA-N 0 0 321.352 3.090 10 30 DGEERN CC1(C)CCCN(Cc2ncc(Br)s2)[C@@H]1C#N ZINC000434500178 528940077 /nfs/dbraw/zinc/94/00/77/528940077.db2.gz ATLMUJGTAJBLQW-SECBINFHSA-N 0 0 314.252 3.420 10 30 DGEERN CC[C@H](CC(F)(F)F)NC(=O)NCC1CCC(C#N)CC1 ZINC000440996643 529314724 /nfs/dbraw/zinc/31/47/24/529314724.db2.gz HLEIKLKNKCOAAB-HTAVTVPLSA-N 0 0 305.344 3.347 10 30 DGEERN CC[C@@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(F)F ZINC000452248895 535798843 /nfs/dbraw/zinc/79/88/43/535798843.db2.gz QWTJZPWMPQYFOZ-TZMCWYRMSA-N 0 0 310.344 3.122 10 30 DGEERN CC[C@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(F)F ZINC000452248892 535847453 /nfs/dbraw/zinc/84/74/53/535847453.db2.gz QWTJZPWMPQYFOZ-GXTWGEPZSA-N 0 0 310.344 3.122 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000134984715 545975574 /nfs/dbraw/zinc/97/55/74/545975574.db2.gz HLLYXCAMNZQPSJ-CQSZACIVSA-N 0 0 306.406 3.038 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000134910849 545975878 /nfs/dbraw/zinc/97/58/78/545975878.db2.gz GIKHFNREQGMENE-GOSISDBHSA-N 0 0 312.417 3.038 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000179239132 546134579 /nfs/dbraw/zinc/13/45/79/546134579.db2.gz RWWZSZGVJVZWTD-HNNXBMFYSA-N 0 0 306.365 3.258 10 30 DGEERN CC(C)N(Cc1nnc(C2CCC2)n1C)Cc1ccc(C#N)cc1 ZINC000181157047 546154513 /nfs/dbraw/zinc/15/45/13/546154513.db2.gz WOTYHXZNTAVDOC-UHFFFAOYSA-N 0 0 323.444 3.365 10 30 DGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC(OC2CCCC2)CC1 ZINC000328788776 546481362 /nfs/dbraw/zinc/48/13/62/546481362.db2.gz XXBJQNNBEADSMD-PBHICJAKSA-N 0 0 324.465 3.282 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1CCc2cccnc21 ZINC000329187562 546483327 /nfs/dbraw/zinc/48/33/27/546483327.db2.gz GWTCVYFYWXXVLU-XYJFISCASA-N 0 0 323.396 3.383 10 30 DGEERN Cc1ccc(C2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cn1 ZINC000329611693 546488252 /nfs/dbraw/zinc/48/82/52/546488252.db2.gz DJPRRFNRMMYHCO-NVXWUHKLSA-N 0 0 312.417 3.176 10 30 DGEERN C[C@@]12CN(C(=O)c3ncc(C#N)cc3Cl)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333521227 546507806 /nfs/dbraw/zinc/50/78/06/546507806.db2.gz NXRNCLCTPYYIFP-XREXNNHRSA-N 0 0 315.804 3.115 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)C1CC(C)(C)C1 ZINC000414523047 546787167 /nfs/dbraw/zinc/78/71/67/546787167.db2.gz CMPZSFXNULGRFF-CQSZACIVSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCN(CC[C@@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000437692468 546826255 /nfs/dbraw/zinc/82/62/55/546826255.db2.gz OPCMNXCFYSQDLF-JKSUJKDBSA-N 0 0 301.496 3.268 10 30 DGEERN CC#CCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960254 549810415 /nfs/dbraw/zinc/81/04/15/549810415.db2.gz ALEIMMUCQFFJSC-UHFFFAOYSA-N 0 0 301.386 3.406 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2ccc(C)cc2)c1 ZINC000730402414 574528749 /nfs/dbraw/zinc/52/87/49/574528749.db2.gz CFTOWCJJVKVMDV-UHFFFAOYSA-N 0 0 310.349 3.129 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCOCC(C)C ZINC000730426308 574529462 /nfs/dbraw/zinc/52/94/62/574529462.db2.gz VGFUSDDHPDQRIS-OAHLLOKOSA-N 0 0 304.386 3.366 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@H](C)OCC(C)C)c1 ZINC000730699400 574534018 /nfs/dbraw/zinc/53/40/18/574534018.db2.gz FBCCSZBAPLDPBH-GJZGRUSLSA-N 0 0 304.386 3.364 10 30 DGEERN N#Cc1ccc(C(=O)OCc2ccc(Br)s2)nc1 ZINC000730892417 574538044 /nfs/dbraw/zinc/53/80/44/574538044.db2.gz OOFVVYNLNLJYLO-UHFFFAOYSA-N 0 0 323.171 3.134 10 30 DGEERN Cc1nc(-c2ccc(OC(=O)c3sccc3C#N)cc2)no1 ZINC000732729115 574580852 /nfs/dbraw/zinc/58/08/52/574580852.db2.gz AZKOASXTOLGWKW-UHFFFAOYSA-N 0 0 311.322 3.197 10 30 DGEERN C#CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21 ZINC000733246074 574609826 /nfs/dbraw/zinc/60/98/26/574609826.db2.gz COWHEWGQZLFPOG-UHFFFAOYSA-N 0 0 315.376 3.358 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccco2)nc2onc(CCC)c21 ZINC000733247148 574610135 /nfs/dbraw/zinc/61/01/35/574610135.db2.gz ZDUQWOYDOWRAET-UHFFFAOYSA-N 0 0 323.352 3.188 10 30 DGEERN C#CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000733248327 574610206 /nfs/dbraw/zinc/61/02/06/574610206.db2.gz WRSUOSBGYAHPEP-UHFFFAOYSA-N 0 0 308.312 3.243 10 30 DGEERN C#CCCNC(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000733356008 574617532 /nfs/dbraw/zinc/61/75/32/574617532.db2.gz HZLXJQFGBHJRFL-GOSISDBHSA-N 0 0 308.381 3.107 10 30 DGEERN C#CCCNC(=O)N[C@H](c1ccccc1)c1ccccc1OC ZINC000733356277 574617540 /nfs/dbraw/zinc/61/75/40/574617540.db2.gz IPKZRSRCHMCRJI-GOSISDBHSA-N 0 0 308.381 3.107 10 30 DGEERN C=CCOc1ccc(/C=C\C(=O)O[C@H](C)CC#N)cc1OC ZINC000733712315 574635454 /nfs/dbraw/zinc/63/54/54/574635454.db2.gz KZINNDLRUSKABU-FWPCIQOSSA-N 0 0 301.342 3.119 10 30 DGEERN C#CCN1CCC[C@@H]1c1ccccc1I ZINC000733795582 574639576 /nfs/dbraw/zinc/63/95/76/574639576.db2.gz QAZVHPIFKQAJHI-CYBMUJFWSA-N 0 0 311.166 3.061 10 30 DGEERN C=C(COC(=O)CCSc1ccc(C)c(C)c1)C(=O)OCC ZINC000734027350 574647628 /nfs/dbraw/zinc/64/76/28/574647628.db2.gz KOTHFRKAICFGOR-UHFFFAOYSA-N 0 0 322.426 3.448 10 30 DGEERN C=C(COC(=O)c1sccc1SC(F)F)C(=O)OCC ZINC000734032964 574647770 /nfs/dbraw/zinc/64/77/70/574647770.db2.gz OWEZRHOPSVXUPL-UHFFFAOYSA-N 0 0 322.354 3.339 10 30 DGEERN COC(=O)[C@@H](C)CSCc1cc(Cl)ccc1OCC#N ZINC000735233710 574691389 /nfs/dbraw/zinc/69/13/89/574691389.db2.gz AFFFDWCVNVQGPL-JTQLQIEISA-N 0 0 313.806 3.285 10 30 DGEERN CC[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@@H](C)O1 ZINC000735310870 574696848 /nfs/dbraw/zinc/69/68/48/574696848.db2.gz FIJJGRVKHLAUHE-DOMZBBRYSA-N 0 0 308.809 3.242 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000736526292 574755888 /nfs/dbraw/zinc/75/58/88/574755888.db2.gz NLUZAMVOVVWUSD-AWEZNQCLSA-N 0 0 310.438 3.201 10 30 DGEERN C=CCCCN(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000736623472 574761528 /nfs/dbraw/zinc/76/15/28/574761528.db2.gz LDKVCUBGECKOOO-CYBMUJFWSA-N 0 0 313.426 3.371 10 30 DGEERN CC(=NNC(=S)Nc1ccc(F)cc1)c1cncc(F)c1 ZINC000737418980 574842360 /nfs/dbraw/zinc/84/23/60/574842360.db2.gz ZPXMWTAJEJEEAG-UHFFFAOYSA-N 0 0 306.341 3.070 10 30 DGEERN C#CCSCCNC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000740039811 574920386 /nfs/dbraw/zinc/92/03/86/574920386.db2.gz UWBVYQAMDLUEAZ-DLBZAZTESA-N 0 0 316.470 3.378 10 30 DGEERN C#CCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1C ZINC000741152540 574952252 /nfs/dbraw/zinc/95/22/52/574952252.db2.gz CAYLECMOWKGYHF-UHFFFAOYSA-N 0 0 308.410 3.124 10 30 DGEERN CC(C)CN(CCC#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000741678294 574966441 /nfs/dbraw/zinc/96/64/41/574966441.db2.gz NEQKXXIULQRORI-HIFRSBDPSA-N 0 0 306.356 3.467 10 30 DGEERN C#CCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000741697987 574967437 /nfs/dbraw/zinc/96/74/37/574967437.db2.gz TVMAGALKXVJZCJ-UHFFFAOYSA-N 0 0 321.808 3.013 10 30 DGEERN C=C(C)CNC(=S)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000741870889 574974454 /nfs/dbraw/zinc/97/44/54/574974454.db2.gz UQZXOHUZMGWLMP-UYSNPLJNSA-N 0 0 310.507 3.497 10 30 DGEERN C/C(=C\C(=O)NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000741971485 574978481 /nfs/dbraw/zinc/97/84/81/574978481.db2.gz KJHNFMNLUMBKAY-SDNWHVSQSA-N 0 0 324.355 3.296 10 30 DGEERN C=C(Br)CNC(=O)c1ccc(-c2ccccc2)n1C ZINC000742053711 574980361 /nfs/dbraw/zinc/98/03/61/574980361.db2.gz JEJXDFOZTFSCMQ-UHFFFAOYSA-N 0 0 319.202 3.331 10 30 DGEERN C#CCCCNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000742785760 575018919 /nfs/dbraw/zinc/01/89/19/575018919.db2.gz SCHWYCXCGYJERE-UHFFFAOYSA-N 0 0 301.333 3.327 10 30 DGEERN C=C(C)CNC(=S)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000743006795 575028744 /nfs/dbraw/zinc/02/87/44/575028744.db2.gz JOPSBKMTUMNURV-JTQLQIEISA-N 0 0 317.241 3.467 10 30 DGEERN C=C(C)CNC(=S)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000743006796 575028802 /nfs/dbraw/zinc/02/88/02/575028802.db2.gz JOPSBKMTUMNURV-SNVBAGLBSA-N 0 0 317.241 3.467 10 30 DGEERN C#Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000728937345 575196435 /nfs/dbraw/zinc/19/64/35/575196435.db2.gz LEWINEYCALUKPL-GFCCVEGCSA-N 0 0 319.320 3.031 10 30 DGEERN C#Cc1ccc(C(=O)OCc2coc(-c3ccc(F)cc3)n2)nc1 ZINC000729009724 575207321 /nfs/dbraw/zinc/20/73/21/575207321.db2.gz BOIOEVAWTYPPAN-UHFFFAOYSA-N 0 0 322.295 3.214 10 30 DGEERN C=CCN(CC=C)C(=O)COC(=O)/C=C(\CC)c1ccccc1 ZINC000729018123 575209136 /nfs/dbraw/zinc/20/91/36/575209136.db2.gz FPDSTXCBPQCWFQ-JQIJEIRASA-N 0 0 313.397 3.224 10 30 DGEERN C=CCCOC(=O)c1ccccc1SCc1nc(C)no1 ZINC000729072851 575213640 /nfs/dbraw/zinc/21/36/40/575213640.db2.gz ZOIOONNQCYBTEU-UHFFFAOYSA-N 0 0 304.371 3.403 10 30 DGEERN Cc1cccc2c1C/C(=C/c1ccc(-n3cncn3)cc1)C2=O ZINC000729150042 575220287 /nfs/dbraw/zinc/22/02/87/575220287.db2.gz IDXKCSQAARURRJ-DHDCSXOGSA-N 0 0 301.349 3.398 10 30 DGEERN COc1ccccc1NC(=S)NCc1ccc(C#N)cc1F ZINC000729822326 575264159 /nfs/dbraw/zinc/26/41/59/575264159.db2.gz RIFHPEKMAOOXHR-UHFFFAOYSA-N 0 0 315.373 3.193 10 30 DGEERN C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(C#N)cc1F ZINC000729821045 575264177 /nfs/dbraw/zinc/26/41/77/575264177.db2.gz DFZABMAQTXRGKY-IAQYHMDHSA-N 0 0 305.422 3.240 10 30 DGEERN C=CCN(C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1)C(C)C ZINC000730132520 575275353 /nfs/dbraw/zinc/27/53/53/575275353.db2.gz VIEHMIKJDJXHMJ-AWEZNQCLSA-N 0 0 320.433 3.241 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)C(C)(C)c1ccccc1F ZINC000726005077 575982747 /nfs/dbraw/zinc/98/27/47/575982747.db2.gz AZFBTQKDODVTQG-UHFFFAOYSA-N 0 0 321.392 3.071 10 30 DGEERN C#CCCCOC(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000727039490 576096589 /nfs/dbraw/zinc/09/65/89/576096589.db2.gz SNDMXXVQQHKUOE-UHFFFAOYSA-N 0 0 300.383 3.164 10 30 DGEERN Cc1cc(CN=Nc2ccc(C)cn2)c(C)n1C[C@@H]1CCCO1 ZINC000727260464 576116666 /nfs/dbraw/zinc/11/66/66/576116666.db2.gz WEVJVTACFZPKLY-KRWDZBQOSA-N 0 0 312.417 3.433 10 30 DGEERN C#Cc1ccc(C(=O)N(CC)c2nc3ccccc3s2)cn1 ZINC000728804697 576206291 /nfs/dbraw/zinc/20/62/91/576206291.db2.gz LWOQGYQYCOYXEQ-UHFFFAOYSA-N 0 0 307.378 3.339 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@@H]2CCCc3cc(OC)ccc32)cn1 ZINC000728810267 576208293 /nfs/dbraw/zinc/20/82/93/576208293.db2.gz FSDTXPPJFPVCPQ-LJQANCHMSA-N 0 0 320.392 3.221 10 30 DGEERN C#Cc1ccc(C(=O)OCc2ccc(OCC(C)C)cc2)nc1 ZINC000728816931 576209549 /nfs/dbraw/zinc/20/95/49/576209549.db2.gz WRLJMLIHFIORPT-UHFFFAOYSA-N 0 0 309.365 3.455 10 30 DGEERN C=CC1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC000110967879 620657035 /nfs/dbraw/zinc/65/70/35/620657035.db2.gz CTVIFIPXFSOHEB-DZGCQCFKSA-N 0 0 324.465 3.350 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000154577851 620688284 /nfs/dbraw/zinc/68/82/84/620688284.db2.gz WLGDVKFBQXIVIY-ZDUSSCGKSA-N 0 0 319.311 3.246 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000154602392 618092659 /nfs/dbraw/zinc/09/26/59/618092659.db2.gz GTJWGGPLHIASJZ-SNVBAGLBSA-N 0 0 316.279 3.118 10 30 DGEERN CC(C)(C)SCCOC(=O)Cc1ccc(OCC#N)cc1 ZINC000112763907 620851500 /nfs/dbraw/zinc/85/15/00/620851500.db2.gz JPRDQILNIVRQIW-UHFFFAOYSA-N 0 0 307.415 3.206 10 30 DGEERN C#CC[C@H](OC(=O)CO[C@@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000113662986 620934991 /nfs/dbraw/zinc/93/49/91/620934991.db2.gz BOIKFNXBSJHWIC-UAGQMJEPSA-N 0 0 301.386 3.285 10 30 DGEERN N#Cc1ccc(COC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000012946402 621320630 /nfs/dbraw/zinc/32/06/30/621320630.db2.gz GLZGWZISKWQDJV-UHFFFAOYSA-N 0 0 323.348 3.005 10 30 DGEERN C#CCOCCC(=O)O[C@H](c1ccccc1)c1ccccc1OC ZINC000119027350 621608448 /nfs/dbraw/zinc/60/84/48/621608448.db2.gz HVRWUSMFEKITGR-HXUWFJFHSA-N 0 0 324.376 3.368 10 30 DGEERN C#CCN(C(=O)NCCc1ccccc1OCC)C1CCCC1 ZINC000120201263 621808573 /nfs/dbraw/zinc/80/85/73/621808573.db2.gz CESCVXLMZWPYDU-UHFFFAOYSA-N 0 0 314.429 3.215 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000120714981 621982707 /nfs/dbraw/zinc/98/27/07/621982707.db2.gz UMMSICBTDISFAK-QWHCGFSZSA-N 0 0 304.365 3.490 10 30 DGEERN C#CCN(C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)C1CCCC1 ZINC000121674567 622171287 /nfs/dbraw/zinc/17/12/87/622171287.db2.gz RITLOMYFIKRUHK-XJKSGUPXSA-N 0 0 318.367 3.408 10 30 DGEERN COc1cc(/C=C/C(=O)c2ccc(F)c(OC)c2)ccc1O ZINC000122463222 622327183 /nfs/dbraw/zinc/32/71/83/622327183.db2.gz PVEBLWUNQHDUSH-XVNBXDOJSA-N 0 0 302.301 3.445 10 30 DGEERN CCCCCCCCC(=O)NCc1nnc(C2CCC2)n1C ZINC000129241404 625568346 /nfs/dbraw/zinc/56/83/46/625568346.db2.gz LRDZXBWNVCXVGI-UHFFFAOYSA-N 0 0 306.454 3.449 10 30 DGEERN CN1CCCc2cc(NCc3cnc4ccc(C#N)cn34)ccc21 ZINC000123365878 622521751 /nfs/dbraw/zinc/52/17/51/622521751.db2.gz DDAHZXGBSCNMFZ-UHFFFAOYSA-N 0 0 317.396 3.200 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1ccncc1 ZINC000124630319 623207490 /nfs/dbraw/zinc/20/74/90/623207490.db2.gz ZAJLJGATVJNJIH-HNNXBMFYSA-N 0 0 309.365 3.331 10 30 DGEERN N#Cc1cc(Br)ccc1OCC1(O)CCCCC1 ZINC000125900894 623595344 /nfs/dbraw/zinc/59/53/44/623595344.db2.gz CNSJIJGKDIJZQX-UHFFFAOYSA-N 0 0 310.191 3.395 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSc2ccccc2)c1 ZINC000128255035 624824592 /nfs/dbraw/zinc/82/45/92/624824592.db2.gz ZKWJWDDKHJVZBB-UHFFFAOYSA-N 0 0 303.408 3.124 10 30 DGEERN CCCCO[C@@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000103688432 626717542 /nfs/dbraw/zinc/71/75/42/626717542.db2.gz RNZWEGYEYFPELK-ZFWWWQNUSA-N 0 0 307.365 3.256 10 30 DGEERN C#CCCOC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000133836438 626841366 /nfs/dbraw/zinc/84/13/66/626841366.db2.gz TYJULLHSQIFINP-UHFFFAOYSA-N 0 0 315.369 3.164 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2cc(Cl)c(O)c(OC)c2)c1 ZINC000135065723 626904261 /nfs/dbraw/zinc/90/42/61/626904261.db2.gz ZANNZGGRHRWGHL-UHFFFAOYSA-N 0 0 315.756 3.312 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1 ZINC000135065599 626904367 /nfs/dbraw/zinc/90/43/67/626904367.db2.gz JWWBDDHCHQAVDX-UKRRQHHQSA-N 0 0 312.394 3.265 10 30 DGEERN Cc1nc(C#N)c(C#N)n1Cc1cc(Cl)nc2ccccc12 ZINC000135490872 626935611 /nfs/dbraw/zinc/93/56/11/626935611.db2.gz IIUJCVSVXDDZBW-UHFFFAOYSA-N 0 0 307.744 3.185 10 30 DGEERN N#Cc1ccc(OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000136207900 627049759 /nfs/dbraw/zinc/04/97/59/627049759.db2.gz PIEAGXGQBWGMSQ-UHFFFAOYSA-N 0 0 321.292 3.096 10 30 DGEERN N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000826785279 627544774 /nfs/dbraw/zinc/54/47/74/627544774.db2.gz OKPJLDVSBWUROJ-MNOVXSKESA-N 0 0 312.295 3.196 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CC[C@H]1CCCO1 ZINC000107059937 631517345 /nfs/dbraw/zinc/51/73/45/631517345.db2.gz WEEPBSFYWTZDJI-HUUCEWRRSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)Cc1csc(C)n1 ZINC000107060298 631517520 /nfs/dbraw/zinc/51/75/20/631517520.db2.gz RTARJGUSOFTBTC-GFCCVEGCSA-N 0 0 315.394 3.310 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)Cc1csc(C)n1 ZINC000107060296 631517559 /nfs/dbraw/zinc/51/75/59/631517559.db2.gz RTARJGUSOFTBTC-LBPRGKRZSA-N 0 0 315.394 3.310 10 30 DGEERN C#CCOc1cccc(NC(=O)c2ccc(NC(=O)OC)cc2)c1 ZINC000108184140 631823400 /nfs/dbraw/zinc/82/34/00/631823400.db2.gz JWKHLUJNESNAIT-UHFFFAOYSA-N 0 0 324.336 3.129 10 30 DGEERN C#CCOc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000108187064 631823615 /nfs/dbraw/zinc/82/36/15/631823615.db2.gz CRBCKEQCOQKFMH-UHFFFAOYSA-N 0 0 320.142 3.306 10 30 DGEERN C#CCOc1ccc(NC(=O)NCc2csc(CC)n2)cc1 ZINC000108523035 631904652 /nfs/dbraw/zinc/90/46/52/631904652.db2.gz YCTBBZFTLVQZLY-UHFFFAOYSA-N 0 0 315.398 3.039 10 30 DGEERN C=C(Br)CNC(=O)Cc1c[nH]c2c1cccc2CC ZINC000109262580 632116462 /nfs/dbraw/zinc/11/64/62/632116462.db2.gz KDIOJUGFLWXBGQ-UHFFFAOYSA-N 0 0 321.218 3.298 10 30 DGEERN COc1ccccc1[C@@H](O)CNc1ccc(C#N)c(Cl)c1 ZINC000110203190 632497587 /nfs/dbraw/zinc/49/75/87/632497587.db2.gz IPSOXABOZGUOFL-HNNXBMFYSA-N 0 0 302.761 3.366 10 30 DGEERN COc1ccc2c(CC(=O)OCC(C)(C)CC#N)coc2c1 ZINC000184797767 660187752 /nfs/dbraw/zinc/18/77/52/660187752.db2.gz YCZCYWJFCJPOMS-UHFFFAOYSA-N 0 0 301.342 3.467 10 30 DGEERN C#C[C@H](C)NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000185335463 660215673 /nfs/dbraw/zinc/21/56/73/660215673.db2.gz UZFVQZNZUMFBHC-ZETCQYMHSA-N 0 0 312.316 3.375 10 30 DGEERN C#CCCCCCOC(=O)CCc1nnc(C2CCCC2)o1 ZINC000185327928 660216002 /nfs/dbraw/zinc/21/60/02/660216002.db2.gz BZKQLXGOCRHUIJ-UHFFFAOYSA-N 0 0 304.390 3.397 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000185353710 660218313 /nfs/dbraw/zinc/21/83/13/660218313.db2.gz DJXPHAHQLWEELS-UHFFFAOYSA-N 0 0 318.398 3.323 10 30 DGEERN CC(C)(C#N)COC(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000180136352 659953646 /nfs/dbraw/zinc/95/36/46/659953646.db2.gz UJFSJLVMCYAIMA-UHFFFAOYSA-N 0 0 321.398 3.153 10 30 DGEERN CC(C)(C)COC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000073290983 660262077 /nfs/dbraw/zinc/26/20/77/660262077.db2.gz NYRDXPPOCFWEPS-UHFFFAOYSA-N 0 0 316.401 3.303 10 30 DGEERN N#Cc1cccc(OCCCCC(=O)OCCc2cccnc2)c1 ZINC000073298699 660262383 /nfs/dbraw/zinc/26/23/83/660262383.db2.gz YPUHZEIJDXZNJR-UHFFFAOYSA-N 0 0 324.380 3.288 10 30 DGEERN CC(C)(C#N)CNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000359655396 660490248 /nfs/dbraw/zinc/49/02/48/660490248.db2.gz RSPWOPUDICBYGN-UHFFFAOYSA-N 0 0 320.190 3.210 10 30 DGEERN C#CCCNC(=O)c1oc2ccc(Br)cc2c1C ZINC000700613023 660630919 /nfs/dbraw/zinc/63/09/19/660630919.db2.gz KNVMREPZEROEEL-UHFFFAOYSA-N 0 0 306.159 3.257 10 30 DGEERN C#CCN(CC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000704306070 660807254 /nfs/dbraw/zinc/80/72/54/660807254.db2.gz KTHHWHPJGZNLOD-SNVBAGLBSA-N 0 0 300.185 3.242 10 30 DGEERN N#CC[C@H]1CCCN(C(=O)/C=C\c2ccc(Br)o2)C1 ZINC000706014440 660842770 /nfs/dbraw/zinc/84/27/70/660842770.db2.gz BRWDNQFGFHULPB-VLWUPBBWSA-N 0 0 323.190 3.208 10 30 DGEERN C=CCCCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000187155146 660961468 /nfs/dbraw/zinc/96/14/68/660961468.db2.gz GXOMEJPVXHVERL-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)[C@H](C)n1nc(C)cc1C ZINC000120235236 655538710 /nfs/dbraw/zinc/53/87/10/655538710.db2.gz AVNDSWGUNHOHQW-AWEZNQCLSA-N 0 0 314.385 3.404 10 30 DGEERN C#CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000187195214 655542973 /nfs/dbraw/zinc/54/29/73/655542973.db2.gz YIOJLCVBUQYPPA-UHFFFAOYSA-N 0 0 316.338 3.229 10 30 DGEERN O[C@H](c1nccn1CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000188194477 655560962 /nfs/dbraw/zinc/56/09/62/655560962.db2.gz YHRUMBAYSXLUHY-SFHVURJKSA-N 0 0 306.340 3.156 10 30 DGEERN C/C(=C/C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000255013718 655561108 /nfs/dbraw/zinc/56/11/08/655561108.db2.gz GNQILSDDWFPBTP-SQFISAMPSA-N 0 0 306.365 3.157 10 30 DGEERN C[C@@H](C/N=C\c1ccc(O)c(O)c1O)c1ccc(F)cc1F ZINC000255065328 655588945 /nfs/dbraw/zinc/58/89/45/655588945.db2.gz ORJBKJLLGFUJCY-YIKFOQHTSA-N 0 0 307.296 3.304 10 30 DGEERN Oc1ccc(/C=N\[C@H]2CCCc3cc(F)ccc32)c(O)c1O ZINC000255079830 655595613 /nfs/dbraw/zinc/59/56/13/655595613.db2.gz KKSCBXAETLVYHM-GPMKDSKKSA-N 0 0 301.317 3.439 10 30 DGEERN COc1ccccc1N1CCC(/N=C\c2ccccc2O)CC1 ZINC000255103333 655598548 /nfs/dbraw/zinc/59/85/48/655598548.db2.gz ZNAHPUMBBZMGHD-ZHZULCJRSA-N 0 0 310.397 3.489 10 30 DGEERN C[C@@]1(COC(=O)CCCCOc2cccc(C#N)c2)CCCO1 ZINC000177236088 655599892 /nfs/dbraw/zinc/59/98/92/655599892.db2.gz NCQIUGVJQOOVGN-SFHVURJKSA-N 0 0 317.385 3.220 10 30 DGEERN Cc1c(C(=O)/C=C\c2cccc3nccn32)cccc1[N+](=O)[O-] ZINC000255112961 655600597 /nfs/dbraw/zinc/60/05/97/655600597.db2.gz PXLSCEXVKLZBOT-HJWRWDBZSA-N 0 0 307.309 3.447 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000255132465 655608022 /nfs/dbraw/zinc/60/80/22/655608022.db2.gz PSARNMKHNLNHFQ-DANTVBBOSA-N 0 0 308.303 3.372 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@H]2CCCN(C(=O)CC)C2)CC1 ZINC000177693549 655623080 /nfs/dbraw/zinc/62/30/80/655623080.db2.gz BDRZDVKKWNIGJW-IRXDYDNUSA-N 0 0 319.445 3.481 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCc1ccccc1Br ZINC000083687623 655650809 /nfs/dbraw/zinc/65/08/09/655650809.db2.gz YVXUQFOLBMJOKO-UHFFFAOYSA-N 0 0 319.158 3.016 10 30 DGEERN N#C[C@@H](COC(=O)CCc1ccoc1)Cc1ccc(F)cc1 ZINC000175958243 655658387 /nfs/dbraw/zinc/65/83/87/655658387.db2.gz DIBMIFBWOVVPIX-HNNXBMFYSA-N 0 0 301.317 3.277 10 30 DGEERN CCOc1cccc(C=Nc2ccccc2CC(=O)OC)c1O ZINC000255302043 655694516 /nfs/dbraw/zinc/69/45/16/655694516.db2.gz CIKWLZWLQVCNPY-UHFFFAOYSA-N 0 0 313.353 3.257 10 30 DGEERN C#CCOc1ccccc1OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255302857 655694627 /nfs/dbraw/zinc/69/46/27/655694627.db2.gz RBUSSIDAJGLJCV-FPLPWBNLSA-N 0 0 313.740 3.366 10 30 DGEERN N=C(NOC(=O)C=Cc1ccccc1Cl)c1ccccc1 ZINC000097024584 655713221 /nfs/dbraw/zinc/71/32/21/655713221.db2.gz GPVPSIQMJOUQTH-KHPPLWFESA-N 0 0 300.745 3.217 10 30 DGEERN CCCC(C#N)(CCC)NS(=O)(=O)/C=C\c1ccccc1 ZINC000255375611 655720743 /nfs/dbraw/zinc/72/07/43/655720743.db2.gz VBBFSSONRCUCJV-RAXLEYEMSA-N 0 0 306.431 3.439 10 30 DGEERN C=C[C@H](C)OC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000187581343 655723236 /nfs/dbraw/zinc/72/32/36/655723236.db2.gz HBBMSWICVPUTJD-NSHDSACASA-N 0 0 304.321 3.234 10 30 DGEERN N#Cc1cnc2ccccc2c1OCCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000176128427 655736291 /nfs/dbraw/zinc/73/62/91/655736291.db2.gz XAQUQCHDPKXMNU-HOTGVXAUSA-N 0 0 322.364 3.075 10 30 DGEERN C[C@](O)(CNc1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000724036264 655737602 /nfs/dbraw/zinc/73/76/02/655737602.db2.gz LJPVWLOPMDCHSN-VIFPVBQESA-N 0 0 305.193 3.325 10 30 DGEERN C#CCN(C(=O)Cn1c(CC)nc2ccccc21)C1CCCC1 ZINC000176260930 655746462 /nfs/dbraw/zinc/74/64/62/655746462.db2.gz LRRYYESEDIEHSO-UHFFFAOYSA-N 0 0 309.413 3.003 10 30 DGEERN COc1ccc(O)c(/C=N\[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000255431150 655749085 /nfs/dbraw/zinc/74/90/85/655749085.db2.gz QMZCYPPANKRQAO-JFENUBAZSA-N 0 0 322.368 3.162 10 30 DGEERN C=C(Br)COC(=O)c1sc([C@H](C)OC)nc1C ZINC000176724663 655789163 /nfs/dbraw/zinc/78/91/63/655789163.db2.gz LROFNYJWMBOURQ-QMMMGPOBSA-N 0 0 320.208 3.224 10 30 DGEERN C=C(Br)COC(=O)c1sc([C@@H](C)OC)nc1C ZINC000176724645 655789239 /nfs/dbraw/zinc/78/92/39/655789239.db2.gz LROFNYJWMBOURQ-MRVPVSSYSA-N 0 0 320.208 3.224 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OCCC[C@@H]1CCCO1 ZINC000156507147 655813220 /nfs/dbraw/zinc/81/32/20/655813220.db2.gz OQORIZLOPUQYTI-AWEZNQCLSA-N 0 0 320.385 3.376 10 30 DGEERN Cc1c(C(=O)/C=C/c2cccnc2C)cnn1-c1ccccn1 ZINC000176849066 655854086 /nfs/dbraw/zinc/85/40/86/655854086.db2.gz TTWBSYQVAZPRIM-CMDGGOBGSA-N 0 0 304.353 3.175 10 30 DGEERN COCC1CC(Nc2cc(Br)c(C#N)cc2F)C1 ZINC000713955975 661195121 /nfs/dbraw/zinc/19/51/21/661195121.db2.gz HBMMNUJEPSURSR-UHFFFAOYSA-N 0 0 313.170 3.297 10 30 DGEERN COc1ccc2c(c1)C(=O)/C(=C/c1cnc3ccc(C#N)cn13)C2 ZINC000176938452 655873201 /nfs/dbraw/zinc/87/32/01/655873201.db2.gz HXHUPPGILXFJEC-VGOFMYFVSA-N 0 0 315.332 3.037 10 30 DGEERN C[C@H](Oc1ccccc1Br)C(=O)O[C@H](C#N)C1CC1 ZINC000177038270 655889350 /nfs/dbraw/zinc/88/93/50/655889350.db2.gz QFIOFYNVCDDBIW-TVQRCGJNSA-N 0 0 324.174 3.062 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255736844 655892651 /nfs/dbraw/zinc/89/26/51/655892651.db2.gz RQOXHJUJKXYQJC-KTKRTIGZSA-N 0 0 303.314 3.077 10 30 DGEERN C[C@H](OC(=O)c1cnc(-c2ccncc2)s1)C(C)(C)C#N ZINC000179469105 655893303 /nfs/dbraw/zinc/89/33/03/655893303.db2.gz SZGMMFIIIGRRKX-JTQLQIEISA-N 0 0 301.371 3.300 10 30 DGEERN CCCCCCCCCN(C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000179592504 655908857 /nfs/dbraw/zinc/90/88/57/655908857.db2.gz JRCPJNWZZSMUIS-UHFFFAOYSA-N 0 0 307.438 3.209 10 30 DGEERN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cnc1Cl ZINC000177557629 655932230 /nfs/dbraw/zinc/93/22/30/655932230.db2.gz WKRIEGDRBKQYIC-LLVKDONJSA-N 0 0 315.760 3.321 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000177694412 655940164 /nfs/dbraw/zinc/94/01/64/655940164.db2.gz JSRZFNGOZPVCCM-AWEZNQCLSA-N 0 0 319.361 3.027 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(C)C ZINC000177716678 655942260 /nfs/dbraw/zinc/94/22/60/655942260.db2.gz ZVNQNEHOHSIDIO-CYBMUJFWSA-N 0 0 318.398 3.322 10 30 DGEERN C#CC[C@H](OC(=O)/C=C/c1ccc(OC)c(OC)c1)C(C)C ZINC000177729049 655943690 /nfs/dbraw/zinc/94/36/90/655943690.db2.gz XGHGTBJLNGEYBZ-GDXASINISA-N 0 0 302.370 3.308 10 30 DGEERN C#CC[C@H](OC(=O)C1CCN(C(=O)OCC(C)C)CC1)C(C)C ZINC000177734902 655944095 /nfs/dbraw/zinc/94/40/95/655944095.db2.gz LVTZZWGNLAEAGB-INIZCTEOSA-N 0 0 323.433 3.082 10 30 DGEERN C=CCN(C/C=C\c1ccccc1)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000096766256 655963956 /nfs/dbraw/zinc/96/39/56/655963956.db2.gz FKQWQNMJUFETDT-FLIBITNWSA-N 0 0 322.408 3.333 10 30 DGEERN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CSC(C)(C)C ZINC000122148829 655969958 /nfs/dbraw/zinc/96/99/58/655969958.db2.gz XKZLZWFUWFWWHO-NSHDSACASA-N 0 0 301.415 3.281 10 30 DGEERN C=CCc1ccc(OC(=O)CCOCC(F)(F)F)c(OC)c1 ZINC000122476665 656059111 /nfs/dbraw/zinc/05/91/11/656059111.db2.gz AURUEPRTUOHMNR-UHFFFAOYSA-N 0 0 318.291 3.298 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000436079644 656088505 /nfs/dbraw/zinc/08/85/05/656088505.db2.gz KHDIWWYWMJCNGN-UHFFFAOYSA-N 0 0 312.398 3.156 10 30 DGEERN CC[C@@H](C)Oc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183997839 656116295 /nfs/dbraw/zinc/11/62/95/656116295.db2.gz VGPGQDXJSPXPQH-CQSZACIVSA-N 0 0 317.385 3.341 10 30 DGEERN Cc1ccc(CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)c(C)n1 ZINC000185253574 656125150 /nfs/dbraw/zinc/12/51/50/656125150.db2.gz OOULDIBDNZORNX-LZYBPNLTSA-N 0 0 318.442 3.230 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCCOc1cccc(C(C)=O)c1 ZINC000187926995 656142578 /nfs/dbraw/zinc/14/25/78/656142578.db2.gz ONADPTBZISHZRL-HNNXBMFYSA-N 0 0 303.358 3.284 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189320690 656154103 /nfs/dbraw/zinc/15/41/03/656154103.db2.gz JCBDHJQWZNVWAL-STQMWFEESA-N 0 0 317.389 3.057 10 30 DGEERN CCCCCCCCS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000190946799 656164774 /nfs/dbraw/zinc/16/47/74/656164774.db2.gz WHMAYPFMQQWLPU-UHFFFAOYSA-N 0 0 315.483 3.214 10 30 DGEERN CC(C)(CCC#N)COC(=O)CCc1cccc2c1OCO2 ZINC000195055139 656208413 /nfs/dbraw/zinc/20/84/13/656208413.db2.gz CIAGDYNFJMDALK-UHFFFAOYSA-N 0 0 303.358 3.221 10 30 DGEERN COc1cccc(/C=N/[C@@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000074374582 661286241 /nfs/dbraw/zinc/28/62/41/661286241.db2.gz LDLBHYKSISTAFM-RBYWHNRPSA-N 0 0 324.380 3.015 10 30 DGEERN Cc1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)s1 ZINC000159914669 657327748 /nfs/dbraw/zinc/32/77/48/657327748.db2.gz AHOLIHLYTMHIBG-SNVBAGLBSA-N 0 0 316.382 3.142 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000181240174 657369785 /nfs/dbraw/zinc/36/97/85/657369785.db2.gz PHOPEDIUVNWVDE-ZDUSSCGKSA-N 0 0 321.442 3.425 10 30 DGEERN C#C[C@H](C)OC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191123450 657370236 /nfs/dbraw/zinc/37/02/36/657370236.db2.gz ZYILJJSVUQFMOF-JTQLQIEISA-N 0 0 300.276 3.428 10 30 DGEERN C=CCC[C@@H](C)OC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000183745845 657382057 /nfs/dbraw/zinc/38/20/57/657382057.db2.gz ZWNCVXPUUIDILJ-CQSZACIVSA-N 0 0 324.442 3.309 10 30 DGEERN C#CCOCCC(=O)Oc1ccccc1SC(F)(F)F ZINC000166012754 657414470 /nfs/dbraw/zinc/41/44/70/657414470.db2.gz VDNQORCRRXUAHM-UHFFFAOYSA-N 0 0 304.289 3.244 10 30 DGEERN N#Cc1ccc(CCC(=O)OCCCOC2CCCC2)cc1 ZINC000127132746 657614503 /nfs/dbraw/zinc/61/45/03/657614503.db2.gz HRPZTRVTMITOPO-UHFFFAOYSA-N 0 0 301.386 3.383 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCCOC1CCCC1 ZINC000127221603 657687557 /nfs/dbraw/zinc/68/75/57/657687557.db2.gz ODFXAPSOEYLVGB-AWEZNQCLSA-N 0 0 317.385 3.218 10 30 DGEERN C[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CCCO1 ZINC000720591268 657947007 /nfs/dbraw/zinc/94/70/07/657947007.db2.gz DPKUMTJSPWMPHB-RNCFNFMXSA-N 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/nfs/dbraw/zinc/93/20/36/658932036.db2.gz VQSHIDASGDTEBS-QGZVFWFLSA-N 0 0 318.417 3.445 10 30 DGEERN Cc1cc(C(=O)Oc2ccc(C#N)cc2F)nn1-c1ccccc1 ZINC000158159299 659146548 /nfs/dbraw/zinc/14/65/48/659146548.db2.gz VSWUJGOYQPCEHX-UHFFFAOYSA-N 0 0 321.311 3.411 10 30 DGEERN C=C(Br)CNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000171170403 659265396 /nfs/dbraw/zinc/26/53/96/659265396.db2.gz ZQDVPQJSZIMZRN-SNVBAGLBSA-N 0 0 313.195 3.424 10 30 DGEERN COC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000171698794 659294492 /nfs/dbraw/zinc/29/44/92/659294492.db2.gz XZLYHOYSLHNXQP-SECBINFHSA-N 0 0 307.300 3.033 10 30 DGEERN C=C(CSc1nnc(CCC2CCCC2)[nH]1)C(=O)OCC ZINC000172294551 659328366 /nfs/dbraw/zinc/32/83/66/659328366.db2.gz OELUUAZXYMYZRL-UHFFFAOYSA-N 0 0 309.435 3.139 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1noc2c1CCCC2 ZINC000172924155 659363781 /nfs/dbraw/zinc/36/37/81/659363781.db2.gz XWEBXQVWLOFAAC-UHFFFAOYSA-N 0 0 300.333 3.317 10 30 DGEERN C#CCCCNC(=O)N[C@H](C)c1ccccc1Br ZINC000174117621 659413261 /nfs/dbraw/zinc/41/32/61/659413261.db2.gz LZWMJQIRVRIMAL-LLVKDONJSA-N 0 0 309.207 3.223 10 30 DGEERN C=C(C)CCOC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC000174798909 659679992 /nfs/dbraw/zinc/67/99/92/659679992.db2.gz NQVJCISQKLBXSH-KRWDZBQOSA-N 0 0 303.402 3.399 10 30 DGEERN N#Cc1ccccc1OS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175182760 659916858 /nfs/dbraw/zinc/91/68/58/659916858.db2.gz CQQDJQSIEBBSDC-MDZDMXLPSA-N 0 0 303.314 3.077 10 30 DGEERN C#CC[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)C1CC1 ZINC000175343768 659919303 /nfs/dbraw/zinc/91/93/03/659919303.db2.gz JCPZABXHNIUYDC-GOSISDBHSA-N 0 0 311.381 3.452 10 30 DGEERN C[C@@H]1CC[C@H](CCC(=O)OC[C@H](C#N)Cc2ccccc2)O1 ZINC000175388764 659919598 /nfs/dbraw/zinc/91/95/98/659919598.db2.gz YJXUTOONZNFHKE-HYVNUMGLSA-N 0 0 301.386 3.260 10 30 DGEERN COC(=O)c1ccc(/C=C/C(=O)c2ccc(F)c(OC)c2)o1 ZINC000179577288 659933820 /nfs/dbraw/zinc/93/38/20/659933820.db2.gz ASJOGJNGWZIILA-QPJJXVBHSA-N 0 0 304.273 3.110 10 30 DGEERN COc1ccc(COCCCC(=O)OCC(C)(C)C#N)cc1 ZINC000180098538 659952093 /nfs/dbraw/zinc/95/20/93/659952093.db2.gz IYASTYVXNVQGAH-UHFFFAOYSA-N 0 0 305.374 3.085 10 30 DGEERN N#C[C@H](COC(=O)COC1CCCCC1)Cc1ccc(F)cc1 ZINC000068491258 659954889 /nfs/dbraw/zinc/95/48/89/659954889.db2.gz FODYNIUIWAVDKK-OAHLLOKOSA-N 0 0 319.376 3.400 10 30 DGEERN C#Cc1cccc(N(C)Cc2noc(Cc3ccccc3)n2)c1 ZINC000069249064 659984249 /nfs/dbraw/zinc/98/42/49/659984249.db2.gz ALJPHLFKXDAIOR-UHFFFAOYSA-N 0 0 303.365 3.278 10 30 DGEERN C#C[C@H](C)OC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000181172012 659985185 /nfs/dbraw/zinc/98/51/85/659985185.db2.gz LJCUIIBUDVRLET-ZETCQYMHSA-N 0 0 306.211 3.068 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1ccc(CSc2nccn2C)o1 ZINC000181206552 659987018 /nfs/dbraw/zinc/98/70/18/659987018.db2.gz VBQNFJZFOHMJPA-NSHDSACASA-N 0 0 306.387 3.427 10 30 DGEERN CC(C)(C#N)OC(=O)CCc1ccccc1OC(F)(F)F ZINC000181831559 660022218 /nfs/dbraw/zinc/02/22/18/660022218.db2.gz VKZQVWDVHISEHN-UHFFFAOYSA-N 0 0 301.264 3.363 10 30 DGEERN 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DGEERN CC(=O)NCc1ccc(C(=O)OCC2(C#N)CCCCC2)s1 ZINC000183674802 660130103 /nfs/dbraw/zinc/13/01/03/660130103.db2.gz CISFVHSHWSXJQH-UHFFFAOYSA-N 0 0 320.414 3.015 10 30 DGEERN CCc1cnccc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000183733299 660133653 /nfs/dbraw/zinc/13/36/53/660133653.db2.gz WQGMXOVKGNLJQY-LBPRGKRZSA-N 0 0 300.383 3.245 10 30 DGEERN COc1ccc([C@@H](C)CC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183912247 660147537 /nfs/dbraw/zinc/14/75/37/660147537.db2.gz DZNIZPUUCMYIDD-AWEZNQCLSA-N 0 0 317.385 3.052 10 30 DGEERN COc1ccc([C@H](C)CC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183912266 660147616 /nfs/dbraw/zinc/14/76/16/660147616.db2.gz DZNIZPUUCMYIDD-CQSZACIVSA-N 0 0 317.385 3.052 10 30 DGEERN CCc1ccc(CCC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183921416 660147934 /nfs/dbraw/zinc/14/79/34/660147934.db2.gz GSJPUQBZGLLTTC-UHFFFAOYSA-N 0 0 301.386 3.045 10 30 DGEERN CC#CCCCCOC(=O)CCc1nc(-c2ccsc2)no1 ZINC000183927797 660148233 /nfs/dbraw/zinc/14/82/33/660148233.db2.gz VOKTYFRDDWADBO-UHFFFAOYSA-N 0 0 318.398 3.468 10 30 DGEERN Cc1cc(C)cc(CCC(=O)OCC2(C#N)CCOCC2)c1 ZINC000183944549 660148655 /nfs/dbraw/zinc/14/86/55/660148655.db2.gz MCFYTCGHXKWHEO-UHFFFAOYSA-N 0 0 301.386 3.100 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)COc1c(C)cccc1C ZINC000187535120 661832069 /nfs/dbraw/zinc/83/20/69/661832069.db2.gz AMQIVTXGEVHQOD-SFHVURJKSA-N 0 0 306.402 3.454 10 30 DGEERN CCOCCCCOC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000155346864 661845307 /nfs/dbraw/zinc/84/53/07/661845307.db2.gz SSZHYOZTGSIUFX-UHFFFAOYSA-N 0 0 305.374 3.076 10 30 DGEERN COc1cccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1F ZINC000157022963 661865737 /nfs/dbraw/zinc/86/57/37/661865737.db2.gz ROWSCVCKSTWZDA-CQSZACIVSA-N 0 0 313.328 3.374 10 30 DGEERN C=CCC[C@H](OC(=O)[C@@H]1CCCN(C(=O)CCC)C1)C1CC1 ZINC000159515386 661889646 /nfs/dbraw/zinc/88/96/46/661889646.db2.gz NXGXXDAXXVSYRK-CVEARBPZSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cn(Cc2ccccc2)nn1)C1CC1 ZINC000159623864 661891455 /nfs/dbraw/zinc/89/14/55/661891455.db2.gz ZTUCXNYNZPKNNZ-QGZVFWFLSA-N 0 0 311.385 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CC(C)(C)OC(=O)NC1CC(CNc2cc(F)cc(C#N)c2)C1 ZINC000718616692 662259452 /nfs/dbraw/zinc/25/94/52/662259452.db2.gz AAQCQBLGNLRLCZ-UHFFFAOYSA-N 0 0 319.380 3.413 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247301000 662307281 /nfs/dbraw/zinc/30/72/81/662307281.db2.gz FBYCHYVJWGPUKJ-UHFFFAOYSA-N 0 0 322.670 3.439 10 30 DGEERN C=CCC(CC=C)C(=O)OCc1nnc(-c2ccccc2)n1C ZINC000092717057 662334826 /nfs/dbraw/zinc/33/48/26/662334826.db2.gz STNUCKRWLXLOSC-UHFFFAOYSA-N 0 0 311.385 3.294 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000248547218 662352954 /nfs/dbraw/zinc/35/29/54/662352954.db2.gz JOWNIGSMWVSIJW-KFWWJZLASA-N 0 0 318.417 3.207 10 30 DGEERN COc1c(C)cc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc1C ZINC000093902183 662361563 /nfs/dbraw/zinc/36/15/63/662361563.db2.gz MYXHWCDYCZCVLN-UVTDQMKNSA-N 0 0 309.365 3.213 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)c1ccc(OCCCC)cc1 ZINC000391198003 1176496723 /nfs/dbraw/zinc/49/67/23/1176496723.db2.gz NRCUZVCFIRFLCC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/32/51/92/1204325192.db2.gz ZKYPKZBQUDQXQT-ABAIWWIYSA-N 0 0 323.352 3.463 10 30 DGEERN N#Cc1ccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)cc1F ZINC000692446720 976482753 /nfs/dbraw/zinc/48/27/53/976482753.db2.gz UISBLDFJJQPMFH-UHFFFAOYSA-N 0 0 312.344 3.174 10 30 DGEERN CC(=Cc1ccc(C)cc1)C(O)=C(C#N)C(=O)NC1CCCC1 ZINC000588402161 1082143124 /nfs/dbraw/zinc/14/31/24/1082143124.db2.gz HQQHJPGSYZGLAI-IFCKCIONSA-N 0 0 310.397 3.166 10 30 DGEERN COc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1C#N ZINC000588409691 1082166783 /nfs/dbraw/zinc/16/67/83/1082166783.db2.gz OIQYSAZTBDTCJZ-UTCJRWHESA-N 0 0 309.321 3.177 10 30 DGEERN C/C(=C/C(=O)OCC1(C#N)CCOCC1)c1cccc(F)c1 ZINC000588411766 1082174931 /nfs/dbraw/zinc/17/49/31/1082174931.db2.gz KBHGWBQHAWEHLF-LCYFTJDESA-N 0 0 303.333 3.093 10 30 DGEERN COc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1NC(C)=O ZINC000588524007 1082549380 /nfs/dbraw/zinc/54/93/80/1082549380.db2.gz RGAXYCKVZFVXPZ-UTCJRWHESA-N 0 0 314.316 3.084 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000588587452 1082811511 /nfs/dbraw/zinc/81/15/11/1082811511.db2.gz NDGWISYBRXUPSA-QIAWRQBBSA-N 0 0 314.348 3.223 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2sc([C@H](C)OC)nc2C)c1 ZINC000176469344 1087837438 /nfs/dbraw/zinc/83/74/38/1087837438.db2.gz AMZJZZABSLLGQQ-LBPRGKRZSA-N 0 0 314.410 3.417 10 30 DGEERN N#Cc1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000585141541 1095040778 /nfs/dbraw/zinc/04/07/78/1095040778.db2.gz CPRZKUUMEGYTIY-UHFFFAOYSA-N 0 0 302.381 3.205 10 30 DGEERN C=CC[C@@H](CO)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000320177704 1095529781 /nfs/dbraw/zinc/52/97/81/1095529781.db2.gz RSQBBFBDYQPZPC-ZFDPJTLLSA-N 0 0 300.185 3.060 10 30 DGEERN C#CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000328009267 1098016838 /nfs/dbraw/zinc/01/68/38/1098016838.db2.gz POYPWTXALFOKSX-UHFFFAOYSA-N 0 0 314.216 3.070 10 30 DGEERN C#C[C@@](C)(CC)NC(=O)c1cc(C)c(Br)s1 ZINC000384204388 1105505268 /nfs/dbraw/zinc/50/52/68/1105505268.db2.gz MSKVZECQYFJCNA-LBPRGKRZSA-N 0 0 300.221 3.351 10 30 DGEERN CN(Cc1cncc(C#N)c1)c1ccc(Br)cc1 ZINC000723909606 1106443524 /nfs/dbraw/zinc/44/35/24/1106443524.db2.gz RCLKXHWQRIXBRR-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN N#CCOc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000378917736 1108001914 /nfs/dbraw/zinc/00/19/14/1108001914.db2.gz NLVVJWAKFPVQBJ-UHFFFAOYSA-N 0 0 321.130 3.197 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1cc(Br)ccc1N ZINC000380941954 1108079002 /nfs/dbraw/zinc/07/90/02/1108079002.db2.gz MKWGUELPPFFGGL-UHFFFAOYSA-N 0 0 311.223 3.363 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1ccc(Cl)nc1 ZINC000389241013 1108633516 /nfs/dbraw/zinc/63/35/16/1108633516.db2.gz BPHJQJRELQMCOP-UHFFFAOYSA-N 0 0 302.827 3.150 10 30 DGEERN N#Cc1cnc(NCCc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000162147190 197548056 /nfs/dbraw/zinc/54/80/56/197548056.db2.gz CVYAUCJKJRVAKC-UHFFFAOYSA-N 0 0 324.775 3.046 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCSCc1ccccc1F ZINC000278488490 214187049 /nfs/dbraw/zinc/18/70/49/214187049.db2.gz LDIBDOQHPFZBJD-GDBMZVCRSA-N 0 0 323.433 3.156 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)c1c(F)cc(C#N)cc1F ZINC000129288019 432003496 /nfs/dbraw/zinc/00/34/96/432003496.db2.gz MTHFIMBMBYHQTP-UHFFFAOYSA-N 0 0 314.291 3.048 10 30 DGEERN Cc1cc(NCc2ccn(Cc3ccccc3)n2)cc(C#N)n1 ZINC000308277979 231095324 /nfs/dbraw/zinc/09/53/24/231095324.db2.gz NAFXYBQWIIUZTH-UHFFFAOYSA-N 0 0 303.369 3.119 10 30 DGEERN N#Cc1csc(CNCc2sccc2Br)n1 ZINC000309548146 231099135 /nfs/dbraw/zinc/09/91/35/231099135.db2.gz JAXLHHNNGLVRGS-UHFFFAOYSA-N 0 0 314.233 3.129 10 30 DGEERN CCn1cc(/C=C\C(=O)c2cc3ccccc3oc2=O)c(C)n1 ZINC000096854189 185389794 /nfs/dbraw/zinc/38/97/94/185389794.db2.gz IYHDRAFUIWAQKI-HJWRWDBZSA-N 0 0 308.337 3.214 10 30 DGEERN Cc1nn(C)c(C)c1/C=C\C(=O)c1cc2ccccc2oc1=O ZINC000096854262 185389820 /nfs/dbraw/zinc/38/98/20/185389820.db2.gz MWMWGADWOISMFS-HJWRWDBZSA-N 0 0 308.337 3.039 10 30 DGEERN CC[C@@H]1C[C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)CCO1 ZINC000248546267 529435373 /nfs/dbraw/zinc/43/53/73/529435373.db2.gz JHQJOKNCPXFFEB-LALPHHSUSA-N 0 0 306.793 3.226 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)N[C@H](CC)CC#N)c2)c1C ZINC000358085702 529491906 /nfs/dbraw/zinc/49/19/06/529491906.db2.gz YNZLLDUHGLAIPX-MRXNPFEDSA-N 0 0 324.428 3.474 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)N3CC(C)(C#N)C3)c2)c1C ZINC000361213694 529492057 /nfs/dbraw/zinc/49/20/57/529492057.db2.gz ANGKOJZUFBDDMG-UHFFFAOYSA-N 0 0 322.412 3.037 10 30 DGEERN CCc1cnccc1[C@H](C)NC(=O)C[C@H](C)N1CCCCC1=O ZINC000328737761 529678668 /nfs/dbraw/zinc/67/86/68/529678668.db2.gz HDHZCROENAKVJU-KBPBESRZSA-N 0 0 317.433 3.453 10 30 DGEERN N#Cc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202265 185286965 /nfs/dbraw/zinc/28/69/65/185286965.db2.gz BFMKBVXZCQRXMO-INIZCTEOSA-N 0 0 324.771 3.474 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000278169460 214001288 /nfs/dbraw/zinc/00/12/88/214001288.db2.gz BLDXJTXSKBMBGK-QZTJIDSGSA-N 0 0 315.388 3.423 10 30 DGEERN CN(CCC#N)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000177192766 529868714 /nfs/dbraw/zinc/86/87/14/529868714.db2.gz QIVHODPEHDKQRY-UHFFFAOYSA-N 0 0 310.279 3.101 10 30 DGEERN COc1cccc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000102819905 185422481 /nfs/dbraw/zinc/42/24/81/185422481.db2.gz QLTKTTIKQFRHQF-MOSHPQCFSA-N 0 0 321.380 3.244 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(C#N)c3)c21 ZINC000103129661 185433791 /nfs/dbraw/zinc/43/37/91/185433791.db2.gz YKUZJYIIHBTJKG-UHFFFAOYSA-N 0 0 303.365 3.321 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2sccc2C#N)cc1OC ZINC000052030197 190681277 /nfs/dbraw/zinc/68/12/77/190681277.db2.gz AFAXWEOVSCSREQ-SNVBAGLBSA-N 0 0 316.382 3.128 10 30 DGEERN N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000109085161 185550034 /nfs/dbraw/zinc/55/00/34/185550034.db2.gz TXLRHCGNFFUFFA-HUUCEWRRSA-N 0 0 312.319 3.256 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000130023776 432013121 /nfs/dbraw/zinc/01/31/21/432013121.db2.gz HRALRAYESBFLCC-NVXWUHKLSA-N 0 0 324.380 3.188 10 30 DGEERN N#CC1(NC(=O)CCOc2ccc(F)cc2Cl)CCCC1 ZINC000104524902 432017249 /nfs/dbraw/zinc/01/72/49/432017249.db2.gz DKJMSHMYHRYSHG-UHFFFAOYSA-N 0 0 310.756 3.201 10 30 DGEERN CCCC(C#N)(CCC)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000106422134 432021044 /nfs/dbraw/zinc/02/10/44/432021044.db2.gz LBHMBJDZWREAOF-CQSZACIVSA-N 0 0 313.401 3.304 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1CCOc1cccc(C#N)c1 ZINC000066851614 432022660 /nfs/dbraw/zinc/02/26/60/432022660.db2.gz VCIBSYBJBKQQIB-OXJNMPFZSA-N 0 0 322.408 3.399 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000130440976 432024823 /nfs/dbraw/zinc/02/48/23/432024823.db2.gz NNSUUVBIXGDRIS-HNNXBMFYSA-N 0 0 312.394 3.142 10 30 DGEERN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)S1 ZINC000078480210 290904477 /nfs/dbraw/zinc/90/44/77/290904477.db2.gz KXBSRTFNTHKFIM-IUCAKERBSA-N 0 0 301.337 3.302 10 30 DGEERN C[C@@H](NCc1ccc(C#N)o1)c1nc(C2CCCCC2)no1 ZINC000237477648 186295381 /nfs/dbraw/zinc/29/53/81/186295381.db2.gz OWUAAPFKRDMXQX-LLVKDONJSA-N 0 0 300.362 3.433 10 30 DGEERN C=CCN(Cc1cncc(Br)c1)CC(F)(F)F ZINC000171826436 197990527 /nfs/dbraw/zinc/99/05/27/197990527.db2.gz MMPDBYLNEWQNFQ-UHFFFAOYSA-N 0 0 309.129 3.394 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc(OCC)c(Cl)c1 ZINC000171993646 198021979 /nfs/dbraw/zinc/02/19/79/198021979.db2.gz FURKZNGFBUPGRX-UHFFFAOYSA-N 0 0 322.714 3.324 10 30 DGEERN CC(C)c1nnc2n1C[C@@H](Nc1cc(Cl)ccc1C#N)CC2 ZINC000172409542 198092992 /nfs/dbraw/zinc/09/29/92/198092992.db2.gz DTVHZWOJYIKLHS-ZDUSSCGKSA-N 0 0 315.808 3.353 10 30 DGEERN CCc1nc(C2(NCc3ccc(C#N)cc3F)CCCC2)no1 ZINC000173697151 198241520 /nfs/dbraw/zinc/24/15/20/198241520.db2.gz OQGZRMBHYXKYPO-UHFFFAOYSA-N 0 0 314.364 3.202 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173913966 198268022 /nfs/dbraw/zinc/26/80/22/198268022.db2.gz SPCHQXVPNYVKPO-GJZGRUSLSA-N 0 0 313.401 3.031 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000174060291 198286599 /nfs/dbraw/zinc/28/65/99/198286599.db2.gz HHTWBOZFXVUINX-AWEZNQCLSA-N 0 0 306.406 3.070 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1cccnc1 ZINC000174361906 198323966 /nfs/dbraw/zinc/32/39/66/198323966.db2.gz BJLILCCHLZKTPN-OAHLLOKOSA-N 0 0 307.397 3.494 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)/C=C/c1ccccc1C#N ZINC000073151821 191284928 /nfs/dbraw/zinc/28/49/28/191284928.db2.gz VEBIHVWIDPKPAE-MMQHEFTJSA-N 0 0 306.369 3.378 10 30 DGEERN CCC(C)(C)NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000131903451 432041102 /nfs/dbraw/zinc/04/11/02/432041102.db2.gz LJTGFBHIVXTGRU-UHFFFAOYSA-N 0 0 313.323 3.294 10 30 DGEERN N#Cc1c(N)sc2c1CCN(c1cccc(C(F)(F)F)n1)C2 ZINC000301518193 283078620 /nfs/dbraw/zinc/07/86/20/283078620.db2.gz KKDIGQNAZSTTFW-UHFFFAOYSA-N 0 0 324.331 3.178 10 30 DGEERN N#Cc1cc(N2CC[C@H]3CCC[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC000408435891 283107517 /nfs/dbraw/zinc/10/75/17/283107517.db2.gz RFOSKRFXUKRELB-BDJLRTHQSA-N 0 0 308.341 3.393 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000165056893 432053479 /nfs/dbraw/zinc/05/34/79/432053479.db2.gz MGVNCUIEADDBMS-UHFFFAOYSA-N 0 0 302.378 3.324 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1nc(C(C)(C)C)cs1 ZINC000081158025 192230660 /nfs/dbraw/zinc/23/06/60/192230660.db2.gz AMVUKURZMBXCML-SNVBAGLBSA-N 0 0 316.430 3.142 10 30 DGEERN C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000005810770 181285584 /nfs/dbraw/zinc/28/55/84/181285584.db2.gz HDONDRKCXFRHQQ-FQEVSTJZSA-N 0 0 318.328 3.402 10 30 in-vitro DGEERN N#Cc1ccccc1Cn1cccc1CN1CCOC[C@H]1C1CC1 ZINC000187364258 283215153 /nfs/dbraw/zinc/21/51/53/283215153.db2.gz YIYCLRUQWBBRND-FQEVSTJZSA-N 0 0 321.424 3.019 10 30 DGEERN C#CCCCCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000179671352 432066621 /nfs/dbraw/zinc/06/66/21/432066621.db2.gz JSVZDTPBCCYJLT-MRXNPFEDSA-N 0 0 312.413 3.057 10 30 DGEERN N#Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cn1 ZINC000170248979 432072536 /nfs/dbraw/zinc/07/25/36/432072536.db2.gz HTZOCJYUIWSYIJ-UHFFFAOYSA-N 0 0 313.360 3.473 10 30 DGEERN N#Cc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180804526 199211366 /nfs/dbraw/zinc/21/13/66/199211366.db2.gz JUIOZGJIIXEVLS-NSHDSACASA-N 0 0 324.306 3.204 10 30 DGEERN C[C@@H]1OCC[C@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280729172 215824861 /nfs/dbraw/zinc/82/48/61/215824861.db2.gz NBDJAXQNACPOLT-BLLLJJGKSA-N 0 0 310.401 3.073 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCO[C@H]1C ZINC000189150240 200356779 /nfs/dbraw/zinc/35/67/79/200356779.db2.gz OXOUQELIDFVDDJ-YOEHRIQHSA-N 0 0 303.402 3.025 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000330230194 291226180 /nfs/dbraw/zinc/22/61/80/291226180.db2.gz WIWNJJWJCHDTRE-LERXQTSPSA-N 0 0 322.380 3.109 10 30 DGEERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000049990616 283586201 /nfs/dbraw/zinc/58/62/01/283586201.db2.gz LLJQZQZFJSHHKN-UHFFFAOYSA-N 0 0 300.383 3.082 10 30 DGEERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C#N)ccn1 ZINC000436006870 238382674 /nfs/dbraw/zinc/38/26/74/238382674.db2.gz OBPWMWWZODPEIW-VIFPVBQESA-N 0 0 319.723 3.152 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000436012507 238383069 /nfs/dbraw/zinc/38/30/69/238383069.db2.gz VXGGRMYMSDPPEV-UHFFFAOYSA-N 0 0 307.231 3.104 10 30 DGEERN COc1cc(C)c([C@@H](C)OC(=O)c2ccnc(C#N)c2)cc1C ZINC000193712196 201108266 /nfs/dbraw/zinc/10/82/66/201108266.db2.gz KBXLHKOURNFCCD-CYBMUJFWSA-N 0 0 310.353 3.497 10 30 DGEERN C[C@H]1C[C@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442181211 239086051 /nfs/dbraw/zinc/08/60/51/239086051.db2.gz KYZSBSUOPKGSSU-WPRPVWTQSA-N 0 0 313.279 3.234 10 30 DGEERN CN(C)c1nc(CSCc2cc(C#N)ccc2F)ns1 ZINC000180741596 432099305 /nfs/dbraw/zinc/09/93/05/432099305.db2.gz HJMVEVKVLSFQKI-UHFFFAOYSA-N 0 0 308.407 3.048 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000444419972 239287731 /nfs/dbraw/zinc/28/77/31/239287731.db2.gz PODYKUBVTPGFSJ-UHFFFAOYSA-N 0 0 321.365 3.406 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(=O)n(C)c1 ZINC000189905425 432102642 /nfs/dbraw/zinc/10/26/42/432102642.db2.gz QKSCNLZLYDUKGJ-UHFFFAOYSA-N 0 0 310.397 3.490 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](NC(=O)CCC)C2)CCCCC1 ZINC000448859512 239911889 /nfs/dbraw/zinc/91/18/89/239911889.db2.gz FPNNTVFCVNTONL-INIZCTEOSA-N 0 0 320.477 3.420 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246195668 432106220 /nfs/dbraw/zinc/10/62/20/432106220.db2.gz MWLFZXBWNGWTRQ-KNCOVGOOSA-N 0 0 300.402 3.266 10 30 DGEERN C[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC[C@H]1c1ccccc1 ZINC000449953767 240496835 /nfs/dbraw/zinc/49/68/35/240496835.db2.gz ZUJULSOMGCTTNZ-WMLDXEAASA-N 0 0 307.397 3.163 10 30 DGEERN C=CCOc1ccc(CC(=O)N(C[C@@H](C)OC)C(C)C)cc1 ZINC000449977105 240507988 /nfs/dbraw/zinc/50/79/88/240507988.db2.gz DYWZQGQYFLQTDU-OAHLLOKOSA-N 0 0 305.418 3.066 10 30 DGEERN CCCn1nccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171136751 432106601 /nfs/dbraw/zinc/10/66/01/432106601.db2.gz KECKIXFTIAZTIK-UHFFFAOYSA-N 0 0 323.400 3.361 10 30 DGEERN Cc1n[nH]c2cc(NC(=O)[C@@H](C)Oc3ccccc3C#N)ccc12 ZINC000091827367 193112834 /nfs/dbraw/zinc/11/28/34/193112834.db2.gz LCMCBDWTNLDEAN-GFCCVEGCSA-N 0 0 320.352 3.149 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@](C)(F)C1 ZINC000451110594 241008444 /nfs/dbraw/zinc/00/84/44/241008444.db2.gz CIUDXNIIJAMIFD-YOEHRIQHSA-N 0 0 324.465 3.475 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@](C)(F)C1 ZINC000451110592 241009487 /nfs/dbraw/zinc/00/94/87/241009487.db2.gz CIUDXNIIJAMIFD-RHSMWYFYSA-N 0 0 324.465 3.475 10 30 DGEERN C=CC[C@@H]1N(C(=O)C[C@H]2CCOC[C@@H]2OC)CCCC1(C)C ZINC000451218509 241052289 /nfs/dbraw/zinc/05/22/89/241052289.db2.gz RRUNZXMKKDJKJT-PMPSAXMXSA-N 0 0 309.450 3.021 10 30 DGEERN CC(C)[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000080499410 283898539 /nfs/dbraw/zinc/89/85/39/283898539.db2.gz GJRZCYOWEXUDDV-IBGZPJMESA-N 0 0 322.408 3.493 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451831892 241250971 /nfs/dbraw/zinc/25/09/71/241250971.db2.gz FPACRQWYVXPAPS-QGZVFWFLSA-N 0 0 300.402 3.007 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000080974823 283906976 /nfs/dbraw/zinc/90/69/76/283906976.db2.gz ZJKXPFRNJMPIQA-ZDUSSCGKSA-N 0 0 315.373 3.003 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000452190004 241346148 /nfs/dbraw/zinc/34/61/48/241346148.db2.gz WZSKOSWHFQLFMA-ZBEGNZNMSA-N 0 0 309.356 3.440 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000081547862 283920179 /nfs/dbraw/zinc/92/01/79/283920179.db2.gz DNHDFEGVIPLVAT-UHFFFAOYSA-N 0 0 313.788 3.012 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000452778933 241516734 /nfs/dbraw/zinc/51/67/34/241516734.db2.gz RMVUYEGGKZLMFE-WFASDCNBSA-N 0 0 300.402 3.223 10 30 DGEERN C=CCC1(c2nc(-c3ccc(CC(N)=O)cc3)no2)CCCC1 ZINC000453145092 241645867 /nfs/dbraw/zinc/64/58/67/241645867.db2.gz RFGUGPNXVZAPPB-UHFFFAOYSA-N 0 0 311.385 3.152 10 30 DGEERN Cc1cc(CN(C)C(=O)C(C)(C)Cc2ccc(C#N)cc2)no1 ZINC000454652694 242002111 /nfs/dbraw/zinc/00/21/11/242002111.db2.gz HOPNGPKDLLDVBU-UHFFFAOYSA-N 0 0 311.385 3.082 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454669095 242005195 /nfs/dbraw/zinc/00/51/95/242005195.db2.gz AKYLJBQJTIJZRT-STQMWFEESA-N 0 0 322.371 3.390 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000454713654 242016834 /nfs/dbraw/zinc/01/68/34/242016834.db2.gz KALNSSHJZYIUHQ-MRXNPFEDSA-N 0 0 306.381 3.095 10 30 DGEERN COc1ccc(CSCC(=O)c2cccn2C)cc1C#N ZINC000135324237 432112479 /nfs/dbraw/zinc/11/24/79/432112479.db2.gz IVCGLAIBJHZNIM-UHFFFAOYSA-N 0 0 300.383 3.021 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000455037652 242092349 /nfs/dbraw/zinc/09/23/49/242092349.db2.gz DJNJGFYWYKZIMQ-HOCLYGCPSA-N 0 0 313.401 3.133 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000455369021 242181902 /nfs/dbraw/zinc/18/19/02/242181902.db2.gz OXDRSNMUMGOKCJ-UHFFFAOYSA-N 0 0 312.417 3.226 10 30 DGEERN CCCCNC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135338352 432113798 /nfs/dbraw/zinc/11/37/98/432113798.db2.gz DGPVOJMQZKEEGI-LBPRGKRZSA-N 0 0 306.431 3.105 10 30 DGEERN C=CCC[C@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1)C(=O)OCC ZINC000456612756 242506108 /nfs/dbraw/zinc/50/61/08/242506108.db2.gz SJKRVQGFCNLYFM-QMCVQRASSA-N 0 0 315.413 3.050 10 30 DGEERN C=CCC1(CNC(=O)[C@H](OC)c2ccc(O)cc2)CCCC1 ZINC000456491281 242470215 /nfs/dbraw/zinc/47/02/15/242470215.db2.gz ZKPGPOPBFVERAS-MRXNPFEDSA-N 0 0 303.402 3.332 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)ncc1C#N ZINC000457834285 242888243 /nfs/dbraw/zinc/88/82/43/242888243.db2.gz ZQWVPAXXAYUOCI-MRXNPFEDSA-N 0 0 305.381 3.282 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)CC#N ZINC000457990941 242931167 /nfs/dbraw/zinc/93/11/67/242931167.db2.gz QHKVJXXFUINAFF-MRXNPFEDSA-N 0 0 313.401 3.018 10 30 DGEERN C=CCC[C@@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000458571155 243093225 /nfs/dbraw/zinc/09/32/25/243093225.db2.gz KVFCNQAVYIBLCR-ZACQAIPSSA-N 0 0 302.418 3.154 10 30 DGEERN C=CCOc1ccc(CNC(=O)NC2(C3(C)CC3)CC2)cc1 ZINC000458768449 243152185 /nfs/dbraw/zinc/15/21/85/243152185.db2.gz KZMODVNRCGFZOX-UHFFFAOYSA-N 0 0 300.402 3.383 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCc1cnc(CCC)o1 ZINC000459052614 243238114 /nfs/dbraw/zinc/23/81/14/243238114.db2.gz PZIJRPXHZGBZBB-UHFFFAOYSA-N 0 0 317.389 3.160 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC=C(C)C1 ZINC000460372600 243544479 /nfs/dbraw/zinc/54/44/79/243544479.db2.gz REWICPLJETYNAZ-UHFFFAOYSA-N 0 0 312.417 3.389 10 30 DGEERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000112674552 284094275 /nfs/dbraw/zinc/09/42/75/284094275.db2.gz QDERFTOGZJZUOX-JKSUJKDBSA-N 0 0 306.431 3.051 10 30 DGEERN C=CCCCCNC(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000472847526 244317950 /nfs/dbraw/zinc/31/79/50/244317950.db2.gz DYBBYPRQZLBLMU-PBHICJAKSA-N 0 0 302.418 3.376 10 30 DGEERN CC(C)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000474415768 244396713 /nfs/dbraw/zinc/39/67/13/244396713.db2.gz SJCGNERCAJQUOT-KSSFIOAISA-N 0 0 322.449 3.143 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000476904818 244551317 /nfs/dbraw/zinc/55/13/17/244551317.db2.gz UFUYPAWORTZASU-MNOVXSKESA-N 0 0 310.385 3.278 10 30 DGEERN COc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000093548745 193267145 /nfs/dbraw/zinc/26/71/45/193267145.db2.gz PXHUZCWKAPEVFJ-LLVKDONJSA-N 0 0 314.316 3.112 10 30 DGEERN CC[C@H](O)CN(CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000120798350 284178464 /nfs/dbraw/zinc/17/84/64/284178464.db2.gz FYQRRIMKRKMTFN-SFHVURJKSA-N 0 0 310.397 3.215 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000121667263 284203339 /nfs/dbraw/zinc/20/33/39/284203339.db2.gz AODUTFFAIVOMFQ-ZDUSSCGKSA-N 0 0 324.355 3.050 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000488302766 245174256 /nfs/dbraw/zinc/17/42/56/245174256.db2.gz VUAKIYQAMNFDAC-NSHDSACASA-N 0 0 305.403 3.068 10 30 DGEERN C=CCN(C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000488931534 245250311 /nfs/dbraw/zinc/25/03/11/245250311.db2.gz NRYJACXUUMOWFL-JTQLQIEISA-N 0 0 301.173 3.254 10 30 DGEERN Cc1cccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000124202350 284254834 /nfs/dbraw/zinc/25/48/34/284254834.db2.gz RJQHBMJANMFGER-UHFFFAOYSA-N 0 0 300.749 3.237 10 30 DGEERN C=CCN1C(=O)COc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000012235000 181743207 /nfs/dbraw/zinc/74/32/07/181743207.db2.gz CBFFCUNXYWFPIU-UHFFFAOYSA-N 0 0 323.352 3.242 10 30 DGEERN CC(C)(C)C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 ZINC000012239242 181743700 /nfs/dbraw/zinc/74/37/00/181743700.db2.gz ZZCCGYSHYPBSLJ-UHFFFAOYSA-N 0 0 319.368 3.277 10 30 DGEERN Cc1csc([C@@H]2CN(c3ccc(C#N)cc3F)CCO2)n1 ZINC000171363067 432125666 /nfs/dbraw/zinc/12/56/66/432125666.db2.gz XWTKCQRAXOJZST-AWEZNQCLSA-N 0 0 303.362 3.040 10 30 DGEERN COc1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)cc1OC ZINC000013834213 181904857 /nfs/dbraw/zinc/90/48/57/181904857.db2.gz CBLQEXROOAZFPM-ZZXKWVIFSA-N 0 0 300.310 3.011 10 30 DGEERN N#Cc1ccc(OCCN[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127977320 284359438 /nfs/dbraw/zinc/35/94/38/284359438.db2.gz KFSQTNXWEZNWAW-SFHVURJKSA-N 0 0 318.380 3.039 10 30 DGEERN Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H](C)O)CC3)c2c1 ZINC000266372950 205299780 /nfs/dbraw/zinc/29/97/80/205299780.db2.gz LXCIVXBFFYUISH-AWEZNQCLSA-N 0 0 309.413 3.321 10 30 DGEERN CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1cccc(O)c1 ZINC000016904583 182063832 /nfs/dbraw/zinc/06/38/32/182063832.db2.gz DJRIYLHPXQYLJY-BSYVZCAJSA-N 0 0 311.366 3.021 10 30 DGEERN COc1cc(CNc2cccc(C#N)c2C)cc2c1OCCO2 ZINC000181454874 432129885 /nfs/dbraw/zinc/12/98/85/432129885.db2.gz ZBKYNXHJAZVHIT-UHFFFAOYSA-N 0 0 310.353 3.259 10 30 DGEERN C=CCCCCNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000274622862 211770326 /nfs/dbraw/zinc/77/03/26/211770326.db2.gz UGZWQHANRBFFBS-UHFFFAOYSA-N 0 0 308.378 3.190 10 30 DGEERN N/C(=N\O)c1ccccc1COc1cccc(Br)c1 ZINC000019802613 182151995 /nfs/dbraw/zinc/15/19/95/182151995.db2.gz IRTCWRSKKREMTO-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C[C@@H](Nc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000019921740 182164331 /nfs/dbraw/zinc/16/43/31/182164331.db2.gz TXLQKNYOYRRODU-GFCCVEGCSA-N 0 0 300.383 3.135 10 30 DGEERN Cc1cc(Cl)ccc1NS(=O)(=O)Cc1ccccc1C#N ZINC000019995597 182175199 /nfs/dbraw/zinc/17/51/99/182175199.db2.gz WHLWNYNJFVKLCT-UHFFFAOYSA-N 0 0 320.801 3.462 10 30 DGEERN C#CCNC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020420169 182215787 /nfs/dbraw/zinc/21/57/87/182215787.db2.gz BAUXKPCZUZJLKN-ZETCQYMHSA-N 0 0 305.592 3.197 10 30 DGEERN C=CCC[C@@H](O)CN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494061310 246108054 /nfs/dbraw/zinc/10/80/54/246108054.db2.gz VTGUZUWHYPITLP-MRXNPFEDSA-N 0 0 304.821 3.437 10 30 DGEERN CCOC(=O)[C@](C)(C#N)c1ccc2c(c1)Cc1cccnc1O2 ZINC000021984142 182301596 /nfs/dbraw/zinc/30/15/96/182301596.db2.gz VNMRZVIXWSAVLP-GOSISDBHSA-N 0 0 308.337 3.122 10 30 DGEERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1sccc1C#N ZINC000494672598 246179611 /nfs/dbraw/zinc/17/96/11/246179611.db2.gz HGVXYECRRYPAOZ-NSHDSACASA-N 0 0 300.383 3.029 10 30 DGEERN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000023689065 182365932 /nfs/dbraw/zinc/36/59/32/182365932.db2.gz DACFSVDKTGKWIH-UHFFFAOYSA-N 0 0 307.353 3.405 10 30 DGEERN N#Cc1ccc(CNc2ccccc2I)o1 ZINC000135523330 284480690 /nfs/dbraw/zinc/48/06/90/284480690.db2.gz ZIPLBEXWNLFPIX-UHFFFAOYSA-N 0 0 324.121 3.368 10 30 DGEERN O=C(O/N=C\c1c(Cl)nc2sccn12)c1ccccc1 ZINC000033381035 182708326 /nfs/dbraw/zinc/70/83/26/182708326.db2.gz BQGQOZSPQOOAAJ-NVNXTCNLSA-N 0 0 305.746 3.240 10 30 DGEERN Cc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000035004137 182746699 /nfs/dbraw/zinc/74/66/99/182746699.db2.gz CZCMQYOEWHQLFI-QPEQYQDCSA-N 0 0 306.303 3.319 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn21 ZINC000274346483 211534273 /nfs/dbraw/zinc/53/42/73/211534273.db2.gz NWVZNTLBSFTZMK-ZDUSSCGKSA-N 0 0 323.400 3.276 10 30 DGEERN COc1ccc(C#N)cc1CNc1ccccc1C(=O)NC(C)C ZINC000151898750 284588268 /nfs/dbraw/zinc/58/82/68/284588268.db2.gz RNTDLZXJVZJDRE-UHFFFAOYSA-N 0 0 323.396 3.317 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(Br)cn1C1CC1 ZINC000037845805 182931527 /nfs/dbraw/zinc/93/15/27/182931527.db2.gz USEAXAODRMBDFS-JTQLQIEISA-N 0 0 324.222 3.207 10 30 DGEERN C[C@@H]1C(=O)NCCCN1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000329905463 296263915 /nfs/dbraw/zinc/26/39/15/296263915.db2.gz ATBSCQVUEGPVGT-CJNGLKHVSA-N 0 0 315.417 3.071 10 30 DGEERN C=CCNc1ncnc(Nc2ccc(Br)cc2)c1N ZINC000040708993 183120467 /nfs/dbraw/zinc/12/04/67/183120467.db2.gz OHZKFDBMQPDPNO-UHFFFAOYSA-N 0 0 320.194 3.163 10 30 DGEERN C=CCNc1ncnc(Oc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582528 183105304 /nfs/dbraw/zinc/10/53/04/183105304.db2.gz AUFYWXOKEBBQLH-UHFFFAOYSA-N 0 0 300.318 3.392 10 30 DGEERN CCOc1ccc(C(=O)N(C)C)cc1NCC#Cc1ccccc1 ZINC000190386872 432149945 /nfs/dbraw/zinc/14/99/45/432149945.db2.gz NKFREYZFDJGDLD-UHFFFAOYSA-N 0 0 322.408 3.251 10 30 DGEERN N#CCCN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000042301554 183251793 /nfs/dbraw/zinc/25/17/93/183251793.db2.gz CZBPCZXNANAACA-UHFFFAOYSA-N 0 0 319.213 3.060 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000043165320 183343063 /nfs/dbraw/zinc/34/30/63/183343063.db2.gz GTLMSCGBOGJMJF-QGZVFWFLSA-N 0 0 321.380 3.223 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C)OCC ZINC000274298141 211495187 /nfs/dbraw/zinc/49/51/87/211495187.db2.gz FIWYCKFSYSYRQA-CJNGLKHVSA-N 0 0 321.465 3.495 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000274268149 211470595 /nfs/dbraw/zinc/47/05/95/211470595.db2.gz ABPIACHAENNSCT-ZDUSSCGKSA-N 0 0 308.372 3.216 10 30 DGEERN CCOC(=O)c1ccc(NC(C)=CC(=O)NCC(C)C)cc1 ZINC000103628750 193949357 /nfs/dbraw/zinc/94/93/57/193949357.db2.gz KQXRNJMVSPSGCC-CPNJWEJPSA-N 0 0 304.390 3.118 10 30 DGEERN C[C@H](Nc1cnc(C#N)cn1)c1ccccc1Br ZINC000106463492 194217045 /nfs/dbraw/zinc/21/70/45/194217045.db2.gz PXZSISVCDCYSOL-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN COc1ccc(-c2noc([C@@H](C)Oc3ccccc3C#N)n2)cn1 ZINC000109589180 194275069 /nfs/dbraw/zinc/27/50/69/194275069.db2.gz OWDSOUYUDKGYOK-LLVKDONJSA-N 0 0 322.324 3.152 10 30 DGEERN C=CCNc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057345891 184034525 /nfs/dbraw/zinc/03/45/25/184034525.db2.gz SSNYTWMDXAHPHL-UHFFFAOYSA-N 0 0 314.820 3.286 10 30 DGEERN N#Cc1ncccc1COc1ccc(Br)cc1C=O ZINC000061659194 184180997 /nfs/dbraw/zinc/18/09/97/184180997.db2.gz MKKAJAMKQNHZRA-UHFFFAOYSA-N 0 0 317.142 3.107 10 30 DGEERN N#C[C@H](C(=O)C1CCOCC1)c1cccc(Br)c1 ZINC000061672475 184181721 /nfs/dbraw/zinc/18/17/21/184181721.db2.gz OPIDWNJIRLEHSC-ZDUSSCGKSA-N 0 0 308.175 3.052 10 30 DGEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C#N)cs1 ZINC000084072554 252592455 /nfs/dbraw/zinc/59/24/55/252592455.db2.gz LCBLPEHRAGCBDS-UHFFFAOYSA-N 0 0 322.393 3.078 10 30 DGEERN C[C@@H](CC1CCCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173906251 252664976 /nfs/dbraw/zinc/66/49/76/252664976.db2.gz XSLHSFIVSFIBLP-AWEZNQCLSA-N 0 0 300.402 3.270 10 30 DGEERN N#Cc1ccc(F)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000162028114 197538171 /nfs/dbraw/zinc/53/81/71/197538171.db2.gz YKIPQIGNDFMDQB-INIZCTEOSA-N 0 0 302.374 3.332 10 30 DGEERN CSc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1 ZINC000443227864 532997025 /nfs/dbraw/zinc/99/70/25/532997025.db2.gz QDIVSOQBHZXFLI-UHFFFAOYSA-N 0 0 324.471 3.017 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cc(OC)c(OC)cc1C)OCC ZINC000270156323 208214927 /nfs/dbraw/zinc/21/49/27/208214927.db2.gz XKWIZVWMLWSOGU-CQSZACIVSA-N 0 0 307.390 3.322 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCO[C@H](c2cccs2)C1)OCC ZINC000270255770 208321292 /nfs/dbraw/zinc/32/12/92/208321292.db2.gz SECYABFXSZDMQZ-KBPBESRZSA-N 0 0 309.431 3.019 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)c1nc2ccccc2n1C ZINC000120194995 195116744 /nfs/dbraw/zinc/11/67/44/195116744.db2.gz BMAOVRDCAGNEHR-UHFFFAOYSA-N 0 0 304.353 3.030 10 30 DGEERN CCn1cc(C2CCN(Cc3cc(F)ccc3C#N)CC2)cn1 ZINC000159195403 197334337 /nfs/dbraw/zinc/33/43/37/197334337.db2.gz PYMLNGUTDVONBZ-UHFFFAOYSA-N 0 0 312.392 3.293 10 30 DGEERN C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000158480218 197276142 /nfs/dbraw/zinc/27/61/42/197276142.db2.gz GKSKFYNIUUMRSQ-UHFFFAOYSA-N 0 0 317.389 3.228 10 30 DGEERN N#Cc1cc(CN2CCO[C@@H](c3cccs3)C2)ccc1F ZINC000157837986 197219983 /nfs/dbraw/zinc/21/99/83/197219983.db2.gz STNJIDBLRQNGTO-OAHLLOKOSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1F ZINC000157837841 197219247 /nfs/dbraw/zinc/21/92/47/197219247.db2.gz STNJIDBLRQNGTO-HNNXBMFYSA-N 0 0 302.374 3.332 10 30 DGEERN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\c1ccccc1Cl ZINC000004956684 296400134 /nfs/dbraw/zinc/40/01/34/296400134.db2.gz BXGGTLWHFVUMII-UHFFFAOYSA-N 0 0 301.689 3.321 10 30 DGEERN COCCC(C)(C)CNc1ncc(Br)cc1C#N ZINC000295023023 533179181 /nfs/dbraw/zinc/17/91/81/533179181.db2.gz MHHGWQLDTDKBNH-UHFFFAOYSA-N 0 0 312.211 3.190 10 30 DGEERN N#Cc1ccc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)nc1 ZINC000120411392 195160479 /nfs/dbraw/zinc/16/04/79/195160479.db2.gz LEFJIFGCVYHPCF-AWEZNQCLSA-N 0 0 314.776 3.049 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(C#N)c1 ZINC000153097612 196851731 /nfs/dbraw/zinc/85/17/31/196851731.db2.gz AJHZCDUYGZXYAL-LBPRGKRZSA-N 0 0 310.401 3.309 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000152902941 196834577 /nfs/dbraw/zinc/83/45/77/196834577.db2.gz VXAKNUFQEHCWFF-CQSZACIVSA-N 0 0 308.381 3.323 10 30 DGEERN COc1ccc(-n2ccc(CNc3ccc(C)c(C#N)n3)n2)cc1 ZINC000302646683 533216019 /nfs/dbraw/zinc/21/60/19/533216019.db2.gz MHJURVQIYPQMPX-UHFFFAOYSA-N 0 0 319.368 3.068 10 30 DGEERN CCCCOc1ccc(C=NN2CN=NC2=S)cc1OCC ZINC000001789210 257211407 /nfs/dbraw/zinc/21/14/07/257211407.db2.gz NYONLNANNZAHHU-YVLHZVERSA-N 0 0 320.418 3.027 10 30 DGEERN COc1cc(F)c(NC(=O)c2ccc(C#N)cc2C)cc1OC ZINC000121609885 195316578 /nfs/dbraw/zinc/31/65/78/195316578.db2.gz CCWXJXUEFNKRHD-UHFFFAOYSA-N 0 0 314.316 3.275 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C1CCOCC1 ZINC000124169369 195611958 /nfs/dbraw/zinc/61/19/58/195611958.db2.gz RYXRADGMAXEGLH-OAHLLOKOSA-N 0 0 314.429 3.358 10 30 DGEERN C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000447838985 533390059 /nfs/dbraw/zinc/39/00/59/533390059.db2.gz GJIZSURNHMEVGE-LBPRGKRZSA-N 0 0 324.421 3.287 10 30 DGEERN COc1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1O ZINC000156937806 533416766 /nfs/dbraw/zinc/41/67/66/533416766.db2.gz OTGXGWFMDYICAG-OAHLLOKOSA-N 0 0 310.353 3.176 10 30 DGEERN C=C(C)CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000455135222 533488560 /nfs/dbraw/zinc/48/85/60/533488560.db2.gz IWEUKPBYGSQVKR-UHFFFAOYSA-N 0 0 301.390 3.073 10 30 DGEERN C[C@H](CC#N)N(C)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194568656 533599392 /nfs/dbraw/zinc/59/93/92/533599392.db2.gz QDDWNZNFGDEQRT-SECBINFHSA-N 0 0 302.708 3.229 10 30 DGEERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc(CC#N)c1 ZINC000174477278 533568843 /nfs/dbraw/zinc/56/88/43/533568843.db2.gz UDRDBKNLENIVTJ-GFCCVEGCSA-N 0 0 312.344 3.391 10 30 DGEERN O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329213664 296535592 /nfs/dbraw/zinc/53/55/92/296535592.db2.gz JUTLLWMQRRGABG-UHTWSYAYSA-N 0 0 308.403 3.050 10 30 DGEERN CC[C@]12C[C@@H](O)[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000091301244 400110187 /nfs/dbraw/zinc/11/01/87/400110187.db2.gz JEMKJBGEAVUIOC-ZRTWPRGNSA-N 0 0 302.414 3.058 10 30 DGEERN C=CCCCN(C)C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000303714355 400111287 /nfs/dbraw/zinc/11/12/87/400111287.db2.gz DBMLXAYYJHSVJT-HNNXBMFYSA-N 0 0 301.434 3.045 10 30 DGEERN CCOC(=O)[C@]1(CCCc2cccc(C(F)(F)F)c2)CO1 ZINC000001853746 400081502 /nfs/dbraw/zinc/08/15/02/400081502.db2.gz SDIZRKMLTFYCJA-AWEZNQCLSA-N 0 0 302.292 3.360 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000581832497 400083387 /nfs/dbraw/zinc/08/33/87/400083387.db2.gz KCFRPDAUOWKOME-SFHVURJKSA-N 0 0 316.445 3.425 10 30 DGEERN Cc1cc(-n2cccn2)ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000616106509 400084266 /nfs/dbraw/zinc/08/42/66/400084266.db2.gz VNFCINQZSTVPKE-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCCCC2 ZINC000616547133 400172556 /nfs/dbraw/zinc/17/25/56/400172556.db2.gz KHXJFXOQPODRIY-GOSISDBHSA-N 0 0 314.429 3.365 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccco1 ZINC000328609889 400182174 /nfs/dbraw/zinc/18/21/74/400182174.db2.gz GAZKRTWNTCDXCO-NKFCBESUSA-N 0 0 317.389 3.425 10 30 DGEERN CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)C2=CCCC2)nn1 ZINC000328605677 400182517 /nfs/dbraw/zinc/18/25/17/400182517.db2.gz ORTCDZHJSJIONC-UONOGXRCSA-N 0 0 318.421 3.056 10 30 DGEERN Cn1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c([C@H]2CCOC2)n1 ZINC000328644876 400184050 /nfs/dbraw/zinc/18/40/50/400184050.db2.gz ZMLFCFMGTDHQGM-SQWLQELKSA-N 0 0 317.433 3.197 10 30 DGEERN C=CCNC(=O)[C@H](C)SCc1coc(-c2ccccc2F)n1 ZINC000600652364 400123609 /nfs/dbraw/zinc/12/36/09/400123609.db2.gz QQJSPLVUJPBWQJ-NSHDSACASA-N 0 0 320.389 3.405 10 30 DGEERN N#Cc1ccc(CNC(=O)Cc2cc3ccccc3o2)c(F)c1 ZINC000609229345 400153125 /nfs/dbraw/zinc/15/31/25/400153125.db2.gz GYPSKBMXUCSFKG-UHFFFAOYSA-N 0 0 308.312 3.302 10 30 DGEERN Cc1cc(F)ccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609252253 400153886 /nfs/dbraw/zinc/15/38/86/400153886.db2.gz NHFDRBRXTONLRR-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN COCc1cccc(NC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609253402 400153947 /nfs/dbraw/zinc/15/39/47/400153947.db2.gz IJOSTYMPJAEIJY-UHFFFAOYSA-N 0 0 313.332 3.165 10 30 DGEERN CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000609239903 400153955 /nfs/dbraw/zinc/15/39/55/400153955.db2.gz FKZTWDXAEINVIP-BBRMVZONSA-N 0 0 303.381 3.465 10 30 DGEERN N#Cc1ccc(CNC(=O)NCc2cc3ccccc3[nH]2)c(F)c1 ZINC000609252951 400154272 /nfs/dbraw/zinc/15/42/72/400154272.db2.gz KGOLZJIYUCVEAF-UHFFFAOYSA-N 0 0 322.343 3.178 10 30 DGEERN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000609239904 400154657 /nfs/dbraw/zinc/15/46/57/400154657.db2.gz FKZTWDXAEINVIP-CJNGLKHVSA-N 0 0 303.381 3.465 10 30 DGEERN COc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(C)c1 ZINC000609254126 400156309 /nfs/dbraw/zinc/15/63/09/400156309.db2.gz IJZTVCWWRJYZJE-UHFFFAOYSA-N 0 0 313.332 3.336 10 30 DGEERN C=CCCC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093053665 400223575 /nfs/dbraw/zinc/22/35/75/400223575.db2.gz GMHOADRDPQYSJM-LBPRGKRZSA-N 0 0 314.307 3.046 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(Cc2cccc(S(C)(=O)=O)c2)no1 ZINC000351278533 400244043 /nfs/dbraw/zinc/24/40/43/400244043.db2.gz CTPVMKUJMTXKED-GFCCVEGCSA-N 0 0 320.414 3.134 10 30 DGEERN C=CCC1(c2nc(Cc3c[nH]c4ncccc34)no2)CCOCC1 ZINC000351365230 400250057 /nfs/dbraw/zinc/25/00/57/400250057.db2.gz XVGCCTQCQXYFDT-UHFFFAOYSA-N 0 0 324.384 3.161 10 30 DGEERN CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616644629 400191470 /nfs/dbraw/zinc/19/14/70/400191470.db2.gz AKFZARSYIXRTHU-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1 ZINC000600981560 400198329 /nfs/dbraw/zinc/19/83/29/400198329.db2.gz DDFBSASZAWCSHY-UHFFFAOYSA-N 0 0 324.384 3.017 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000616697911 400208179 /nfs/dbraw/zinc/20/81/79/400208179.db2.gz NFNRBCOUKHJVFC-IAGOWNOFSA-N 0 0 303.402 3.006 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000610402675 400254904 /nfs/dbraw/zinc/25/49/04/400254904.db2.gz YXFIEXGYRJDGSS-OFQRWUPVSA-N 0 0 315.392 3.465 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1cc(CCc2ccccc2)[nH]n1 ZINC000610124895 400214741 /nfs/dbraw/zinc/21/47/41/400214741.db2.gz IGNXTQTUELYDKY-UHFFFAOYSA-N 0 0 322.393 3.380 10 30 DGEERN C=CCCCN(C)c1ncccc1I ZINC000610131365 400214811 /nfs/dbraw/zinc/21/48/11/400214811.db2.gz XZZULFDRWVPILU-UHFFFAOYSA-N 0 0 302.159 3.089 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000610542064 400274094 /nfs/dbraw/zinc/27/40/94/400274094.db2.gz LPPQXJRFNLCETK-ZDUSSCGKSA-N 0 0 323.396 3.274 10 30 DGEERN Cc1nnc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C1CC1 ZINC000610604091 400280849 /nfs/dbraw/zinc/28/08/49/400280849.db2.gz WTHLVOMDQVXIKX-QZTJIDSGSA-N 0 0 321.428 3.193 10 30 DGEERN Cc1cccc(CC2CN(C(=O)Cc3ccc(C#N)cc3)C2)c1 ZINC000610659649 400285360 /nfs/dbraw/zinc/28/53/60/400285360.db2.gz LBOXRDFNGYVLJQ-UHFFFAOYSA-N 0 0 304.393 3.110 10 30 DGEERN Cc1cc2nc(NC(=O)Cc3cccc(C#N)c3)oc2c(C)c1 ZINC000610662297 400286644 /nfs/dbraw/zinc/28/66/44/400286644.db2.gz DMAUYMDPSAGOTM-UHFFFAOYSA-N 0 0 305.337 3.498 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1cccs1 ZINC000617034502 400286820 /nfs/dbraw/zinc/28/68/20/400286820.db2.gz AASSFWADUUXYPB-KGLIPLIRSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCCCCC1=O ZINC000617036431 400287803 /nfs/dbraw/zinc/28/78/03/400287803.db2.gz ATDOBPKCRBWCGU-HZPDHXFCSA-N 0 0 306.450 3.030 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)CCC)C1 ZINC000617037995 400287901 /nfs/dbraw/zinc/28/79/01/400287901.db2.gz UCJCMYSHXGZLGY-BRWVUGGUSA-N 0 0 320.477 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1nnc(C(C)C)o1 ZINC000617039193 400288797 /nfs/dbraw/zinc/28/87/97/400288797.db2.gz DLVZZRQDFBKXMC-ZIAGYGMSSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1csc2nccn12 ZINC000617039262 400288827 /nfs/dbraw/zinc/28/88/27/400288827.db2.gz FGTDEZPAZIEKNJ-GXTWGEPZSA-N 0 0 303.431 3.189 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)Nc1ccccc1 ZINC000617038412 400289091 /nfs/dbraw/zinc/28/90/91/400289091.db2.gz WXTDUPZOXNJXDJ-ZBFHGGJFSA-N 0 0 315.417 3.059 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CNC(C)=O)s1 ZINC000617038551 400289102 /nfs/dbraw/zinc/28/91/02/400289102.db2.gz YUZXXGRFRODJMG-UKRRQHHQSA-N 0 0 320.458 3.249 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000617039966 400289210 /nfs/dbraw/zinc/28/92/10/400289210.db2.gz NVAOMBIQNDDUGP-DOTOQJQBSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCCC(=O)N(CC)CC ZINC000617040545 400289702 /nfs/dbraw/zinc/28/97/02/400289702.db2.gz VVTUQXQLJAAGCE-JKSUJKDBSA-N 0 0 308.466 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000617040210 400289746 /nfs/dbraw/zinc/28/97/46/400289746.db2.gz QVCJCAWFNYZVRV-BMFZPTHFSA-N 0 0 312.413 3.364 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(CC)nn(C)c1CC ZINC000617041410 400289911 /nfs/dbraw/zinc/28/99/11/400289911.db2.gz DGPMTXWXLOTPQF-YOEHRIQHSA-N 0 0 317.477 3.339 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC000617040071 400290107 /nfs/dbraw/zinc/29/01/07/400290107.db2.gz PFYWLEZIWLUOGN-NVXWUHKLSA-N 0 0 311.429 3.436 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c(OC)cccc1OC ZINC000617040381 400290282 /nfs/dbraw/zinc/29/02/82/400290282.db2.gz TUSLPEDWNHLHJO-GOEBONIOSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617040255 400290325 /nfs/dbraw/zinc/29/03/25/400290325.db2.gz RLYGNKCNVXGPOS-GOEBONIOSA-N 0 0 310.401 3.132 10 30 DGEERN Cc1ccccc1SCC(=O)NCc1ccc(C#N)cc1F ZINC000105588596 400323408 /nfs/dbraw/zinc/32/34/08/400323408.db2.gz DYLKURWJOCEWNQ-UHFFFAOYSA-N 0 0 314.385 3.414 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000617041997 400291212 /nfs/dbraw/zinc/29/12/12/400291212.db2.gz LVVVMEQTQRQVLW-FMKPAKJESA-N 0 0 301.434 3.091 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccncc2)c1 ZINC000617043993 400291983 /nfs/dbraw/zinc/29/19/83/400291983.db2.gz HMCMVMYIJAWFLD-YOEHRIQHSA-N 0 0 310.401 3.132 10 30 DGEERN C=C1CC(C)(C(=O)N(C)Cc2nc([C@@H](C)SCC)no2)C1 ZINC000601338957 400292243 /nfs/dbraw/zinc/29/22/43/400292243.db2.gz OICBUICGXOHWGH-LLVKDONJSA-N 0 0 309.435 3.198 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnn1CC(F)(F)F ZINC000617043646 400292207 /nfs/dbraw/zinc/29/22/07/400292207.db2.gz CGZXOVJHHYLXHP-RYUDHWBXSA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000617044356 400292400 /nfs/dbraw/zinc/29/24/00/400292400.db2.gz MDBOQWKGTBUCEN-AEFFLSMTSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc(NC(C)=O)c1 ZINC000617044590 400292494 /nfs/dbraw/zinc/29/24/94/400292494.db2.gz PVTQSZCIILFVOE-SJLPKXTDSA-N 0 0 314.429 3.439 10 30 DGEERN C=C1CC(C)(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000601400886 400299793 /nfs/dbraw/zinc/29/97/93/400299793.db2.gz ZHMODHQEJURCDR-UHFFFAOYSA-N 0 0 307.434 3.359 10 30 DGEERN C=CCCSCCNC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000601664027 400325473 /nfs/dbraw/zinc/32/54/73/400325473.db2.gz KOJOLRJGUQVCDN-YIONKMFJSA-N 0 0 309.475 3.197 10 30 DGEERN C=C(C)CCNC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC000601612901 400318135 /nfs/dbraw/zinc/31/81/35/400318135.db2.gz RSUBRWZNXONFKS-UHFFFAOYSA-N 0 0 303.402 3.267 10 30 DGEERN C=CCCC1(CNC(=O)C2(NC(C)=O)CCCCC2)CCCC1 ZINC000617416575 400383969 /nfs/dbraw/zinc/38/39/69/400383969.db2.gz WYBAUUIDWRENAM-UHFFFAOYSA-N 0 0 320.477 3.468 10 30 DGEERN CCOC(=O)[C@@](C#N)(Cc1ccccc1)c1cccc(OC)c1 ZINC000114241143 400384967 /nfs/dbraw/zinc/38/49/67/400384967.db2.gz BHYTXTZMRXGJEC-LJQANCHMSA-N 0 0 309.365 3.262 10 30 DGEERN C=CCCC1(CNC(=O)c2ccnn2CC(F)F)CCCC1 ZINC000617417928 400385105 /nfs/dbraw/zinc/38/51/05/400385105.db2.gz MCYLWCYRIQLQTF-UHFFFAOYSA-N 0 0 311.376 3.405 10 30 DGEERN C=CCCC1(CNC(=O)c2nnn(C(C)C)c2C)CCCC1 ZINC000617418196 400385150 /nfs/dbraw/zinc/38/51/50/400385150.db2.gz WBIFAQQWBIKFOQ-UHFFFAOYSA-N 0 0 304.438 3.424 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3cnn(C)c3C2)CCCC1 ZINC000617417792 400385303 /nfs/dbraw/zinc/38/53/03/400385303.db2.gz GWAUZQLGPFEWHC-OAHLLOKOSA-N 0 0 315.461 3.168 10 30 DGEERN C=CCCC1(CNC(=O)COCc2ncc(C)o2)CCCC1 ZINC000617418203 400385516 /nfs/dbraw/zinc/38/55/16/400385516.db2.gz WJSQWGXIBFLJHQ-UHFFFAOYSA-N 0 0 306.406 3.142 10 30 DGEERN C=CCCC1(CNC(=O)C[C@H]2CCOC[C@@H]2OC)CCCC1 ZINC000617417984 400385604 /nfs/dbraw/zinc/38/56/04/400385604.db2.gz OMPPWVOUWVTMCJ-CVEARBPZSA-N 0 0 309.450 3.071 10 30 DGEERN N#Cc1ccc(NCC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000114438366 400387491 /nfs/dbraw/zinc/38/74/91/400387491.db2.gz OTOMXOJUDCCNQA-IBGZPJMESA-N 0 0 309.413 3.319 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)C1 ZINC000601680141 400327930 /nfs/dbraw/zinc/32/79/30/400327930.db2.gz PYNZRTBIJSWSRV-UHFFFAOYSA-N 0 0 302.374 3.332 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000601683134 400328612 /nfs/dbraw/zinc/32/86/12/400328612.db2.gz NRPROPICISOXJY-ZIAGYGMSSA-N 0 0 307.434 3.169 10 30 DGEERN C[C@H]1Cc2ccccc2N1C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000610968378 400330299 /nfs/dbraw/zinc/33/02/99/400330299.db2.gz FUMOCPDSCJDMJF-DLBZAZTESA-N 0 0 322.456 3.346 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000578622359 400330552 /nfs/dbraw/zinc/33/05/52/400330552.db2.gz MCKLSEDSGSNIDE-KGLIPLIRSA-N 0 0 324.465 3.208 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)CC1CCC(C(=O)OCC)CC1 ZINC000578773148 400331293 /nfs/dbraw/zinc/33/12/93/400331293.db2.gz DYNAFCKDHMGUEN-GPANFISMSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CCO[C@H](C3CCC3)C2)c1 ZINC000578968944 400333523 /nfs/dbraw/zinc/33/35/23/400333523.db2.gz OVFJAAJVXLWXAZ-KRWDZBQOSA-N 0 0 316.401 3.284 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578948318 400333857 /nfs/dbraw/zinc/33/38/57/400333857.db2.gz IKNCRVRJDPEIPG-WBMJQRKESA-N 0 0 303.362 3.143 10 30 DGEERN N#Cc1cc(CN2CCc3cc(Br)ccc32)ccn1 ZINC000610995119 400335704 /nfs/dbraw/zinc/33/57/04/400335704.db2.gz KSAVNUJISJMMFD-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc1 ZINC000107428684 400336274 /nfs/dbraw/zinc/33/62/74/400336274.db2.gz JLMVWYFCYHEVIT-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN C=CCOc1ccc(CN2C(=O)N[C@@H](C[C@@H](C)CC)C2=O)cc1 ZINC000579239779 400336834 /nfs/dbraw/zinc/33/68/34/400336834.db2.gz LREOYGKZEBNONF-BBRMVZONSA-N 0 0 316.401 3.108 10 30 DGEERN CC#CCN(C)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000579755877 400342038 /nfs/dbraw/zinc/34/20/38/400342038.db2.gz JVBGDUMWJVYKAS-LBPRGKRZSA-N 0 0 308.219 3.424 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000601744592 400344254 /nfs/dbraw/zinc/34/42/54/400344254.db2.gz LPCCEQQJFYTVQA-UHFFFAOYSA-N 0 0 306.362 3.326 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000601746943 400345232 /nfs/dbraw/zinc/34/52/32/400345232.db2.gz FQFGPIDAFCBYOD-OAQYLSRUSA-N 0 0 307.459 3.287 10 30 DGEERN O=C1C=CO[C@@H](c2cc(Br)c(Br)o2)C1 ZINC000069850403 400346290 /nfs/dbraw/zinc/34/62/90/400346290.db2.gz RBDDWSHVTNCAKG-SSDOTTSWSA-N 0 0 321.952 3.349 10 30 DGEERN C=CCCCCCNC(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000580901247 400348420 /nfs/dbraw/zinc/34/84/20/400348420.db2.gz NUHINVILIAHUHQ-IEBWSBKVSA-N 0 0 316.445 3.198 10 30 DGEERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)C3CC3)c21 ZINC000108841939 400348951 /nfs/dbraw/zinc/34/89/51/400348951.db2.gz FZIRTGNAANLTAN-AWEZNQCLSA-N 0 0 324.384 3.256 10 30 DGEERN C=C(C)C[C@@H](NC(=O)CCCc1ccc(C)s1)C(=O)OC ZINC000601783875 400348969 /nfs/dbraw/zinc/34/89/69/400348969.db2.gz YSYANFXPVMUARJ-CQSZACIVSA-N 0 0 309.431 3.003 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000581020304 400349034 /nfs/dbraw/zinc/34/90/34/400349034.db2.gz VFZNLRAQRYENNY-JKSUJKDBSA-N 0 0 315.413 3.424 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)OC ZINC000601785742 400349031 /nfs/dbraw/zinc/34/90/31/400349031.db2.gz UHHXAXYDYIVPFE-RISCZKNCSA-N 0 0 309.793 3.068 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C(=O)OC ZINC000601784024 400349296 /nfs/dbraw/zinc/34/92/96/400349296.db2.gz GEPGGKZLSGIBJV-ZNMIVQPWSA-N 0 0 321.804 3.068 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(F)F)cc1 ZINC000581306783 400351798 /nfs/dbraw/zinc/35/17/98/400351798.db2.gz CXWGLZKYLCCAGT-GWCFXTLKSA-N 0 0 312.316 3.001 10 30 DGEERN N#CCc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000611151640 400352412 /nfs/dbraw/zinc/35/24/12/400352412.db2.gz WOKFBHJTSMAKLS-SFHVURJKSA-N 0 0 312.413 3.316 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110441014 400357086 /nfs/dbraw/zinc/35/70/86/400357086.db2.gz JWWBCFDQNCPCAS-BMGDILEWSA-N 0 0 320.392 3.245 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000111458663 400365087 /nfs/dbraw/zinc/36/50/87/400365087.db2.gz PWSOGOZBVHVNQC-ZDUSSCGKSA-N 0 0 318.417 3.372 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601861382 400366349 /nfs/dbraw/zinc/36/63/49/400366349.db2.gz LMGXUUAGLSIVCJ-JKSUJKDBSA-N 0 0 313.449 3.325 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601864872 400367247 /nfs/dbraw/zinc/36/72/47/400367247.db2.gz QSFVOHXOQZHXKV-JKSUJKDBSA-N 0 0 307.401 3.260 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601875640 400369044 /nfs/dbraw/zinc/36/90/44/400369044.db2.gz XJMLKLOIHMXWMA-LSDHHAIUSA-N 0 0 301.438 3.181 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601875252 400369481 /nfs/dbraw/zinc/36/94/81/400369481.db2.gz VIJSBXIKLTYFQC-DZGCQCFKSA-N 0 0 311.389 3.243 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH]c(=O)c1 ZINC000590287185 400375102 /nfs/dbraw/zinc/37/51/02/400375102.db2.gz NVQDNQJSJHGBHI-RDJZCZTQSA-N 0 0 321.380 3.008 10 30 DGEERN OC1CCC(Oc2ncc(C#Cc3ccccc3)cc2F)CC1 ZINC000116754422 400413133 /nfs/dbraw/zinc/41/31/33/400413133.db2.gz YZZOZWBXBIPLLN-UHFFFAOYSA-N 0 0 311.356 3.303 10 30 DGEERN CC(C)(C)C(=O)N1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000041260081 400403528 /nfs/dbraw/zinc/40/35/28/400403528.db2.gz AYLQUFCLNBKYKJ-HNNXBMFYSA-N 0 0 319.836 3.095 10 30 DGEERN CC(=O)C(C)(C)CCC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000617562244 400409926 /nfs/dbraw/zinc/40/99/26/400409926.db2.gz DTEAXHKVBDAGMB-UHFFFAOYSA-N 0 0 300.402 3.305 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Nc3ccccc3C#N)CC2)C1 ZINC000602182811 400422291 /nfs/dbraw/zinc/42/22/91/400422291.db2.gz KIUBOOXVYJPXIL-UHFFFAOYSA-N 0 0 309.413 3.317 10 30 DGEERN CC(C)Oc1ncc(C(=O)N2CCC(C)(C#N)CC2)cc1Cl ZINC000611561200 400422608 /nfs/dbraw/zinc/42/26/08/400422608.db2.gz PHOUJLYVXCARPT-UHFFFAOYSA-N 0 0 321.808 3.288 10 30 DGEERN C=CCN(C(=O)c1cccc([C@@H]2CCCOC2)c1)[C@H](C)COC ZINC000617580821 400418238 /nfs/dbraw/zinc/41/82/38/400418238.db2.gz GEVPRJFWKHMOMO-CRAIPNDOSA-N 0 0 317.429 3.244 10 30 DGEERN CCc1cccc(CC)c1S(=O)(=O)N1CCC(C)(C#N)CC1 ZINC000611541616 400418933 /nfs/dbraw/zinc/41/89/33/400418933.db2.gz CIBQNAQRTOGGBJ-UHFFFAOYSA-N 0 0 320.458 3.126 10 30 DGEERN C=CCN(C(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@@H](C)COC ZINC000617584994 400419610 /nfs/dbraw/zinc/41/96/10/400419610.db2.gz QDYSWBSTOKYDMC-KSSFIOAISA-N 0 0 317.429 3.325 10 30 DGEERN COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000617722365 400445119 /nfs/dbraw/zinc/44/51/19/400445119.db2.gz PBYIWFRUGLELOY-MRXNPFEDSA-N 0 0 324.355 3.052 10 30 DGEERN CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O ZINC000042764470 400441401 /nfs/dbraw/zinc/44/14/01/400441401.db2.gz DTKPMZLHSRTKNJ-AWEZNQCLSA-N 0 0 313.463 3.235 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C1 ZINC000617778503 400452117 /nfs/dbraw/zinc/45/21/17/400452117.db2.gz HXAIOCXDPMYMEF-JTQLQIEISA-N 0 0 314.307 3.234 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC000617785176 400454507 /nfs/dbraw/zinc/45/45/07/400454507.db2.gz FLCHOFSCGHJOGJ-LBPRGKRZSA-N 0 0 314.414 3.028 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccsc1C(F)(F)F)C(=O)OC ZINC000602413269 400455949 /nfs/dbraw/zinc/45/59/49/400455949.db2.gz KUGXTDNGHISPDU-SECBINFHSA-N 0 0 321.320 3.005 10 30 DGEERN CC[C@@H](c1ccncc1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000127883211 400507748 /nfs/dbraw/zinc/50/77/48/400507748.db2.gz DFSHKZOAFLURQV-YOEHRIQHSA-N 0 0 323.396 3.330 10 30 DGEERN C[C@H](C#N)NC(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000124437254 400475870 /nfs/dbraw/zinc/47/58/70/400475870.db2.gz OFCLXNZJSHVJDS-CQSZACIVSA-N 0 0 305.381 3.413 10 30 DGEERN C[C@]1(C#N)CCCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000612242662 400512463 /nfs/dbraw/zinc/51/24/63/400512463.db2.gz RGALZDLLUPUMHB-QGZVFWFLSA-N 0 0 300.406 3.223 10 30 DGEERN C=CCSCCNC(=O)N(Cc1ccc(C)nc1)CC1CC1 ZINC000591923454 400581067 /nfs/dbraw/zinc/58/10/67/400581067.db2.gz DGWOVDQHCBFMPL-UHFFFAOYSA-N 0 0 319.474 3.231 10 30 DGEERN C=CCCCCCN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000128744193 400518516 /nfs/dbraw/zinc/51/85/16/400518516.db2.gz ONEDARXHSGOYSH-HNNXBMFYSA-N 0 0 317.433 3.401 10 30 DGEERN CSc1ccc(NC(=O)NCc2ccc(C#N)cc2F)nc1 ZINC000612330271 400526124 /nfs/dbraw/zinc/52/61/24/400526124.db2.gz VFSBJWBZRXFZLO-UHFFFAOYSA-N 0 0 316.361 3.136 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC)cn1 ZINC000612335346 400527442 /nfs/dbraw/zinc/52/74/42/400527442.db2.gz NPTMZFWALLSDTE-UHFFFAOYSA-N 0 0 322.368 3.182 10 30 DGEERN C#C[C@H](NC)c1cc(Br)ccc1Br ZINC000130329041 400536648 /nfs/dbraw/zinc/53/66/48/400536648.db2.gz NVUOHBOAUQFSQZ-JTQLQIEISA-N 0 0 302.997 3.105 10 30 DGEERN C=CCC1(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)CCOCC1 ZINC000618251239 400552457 /nfs/dbraw/zinc/55/24/57/400552457.db2.gz FMMSRZAVFCVFCR-QAPCUYQASA-N 0 0 303.377 3.113 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc2nc(C)sc2c1)C(=O)OC ZINC000602734582 400556906 /nfs/dbraw/zinc/55/69/06/400556906.db2.gz PMLGIVILKQZKFT-CQSZACIVSA-N 0 0 304.415 3.202 10 30 DGEERN C=C(C)C[C@H](NC/C(C)=C\c1ccccc1COC)C(=O)OC ZINC000602733043 400557195 /nfs/dbraw/zinc/55/71/95/400557195.db2.gz HDKVYDDHEPYDEE-RXBGNRNISA-N 0 0 317.429 3.334 10 30 DGEERN C=CCC[C@H](C(=O)N1C[C@@H](C)C(O)[C@H](C)C1)c1ccccc1 ZINC000618273669 400557257 /nfs/dbraw/zinc/55/72/57/400557257.db2.gz FVQAOGVLZQYXCB-INMHGKMJSA-N 0 0 301.430 3.212 10 30 DGEERN C=C(C)C[C@H](NCc1cnc(-c2cccs2)s1)C(=O)OC ZINC000602735439 400557992 /nfs/dbraw/zinc/55/79/92/400557992.db2.gz XFAXBDFRSVJBKW-LBPRGKRZSA-N 0 0 322.455 3.469 10 30 DGEERN C=CCN(CC=C)C(=O)CN(Cc1ccccc1F)CC1CC1 ZINC000618609721 400642097 /nfs/dbraw/zinc/64/20/97/400642097.db2.gz VSKOUKVOMLIHAY-UHFFFAOYSA-N 0 0 316.420 3.238 10 30 DGEERN CCOC(=O)Nc1ccc(OCc2ccc(C#N)cc2)cc1N ZINC000141402996 400624806 /nfs/dbraw/zinc/62/48/06/400624806.db2.gz LKGDHPPLFXHZNA-UHFFFAOYSA-N 0 0 311.341 3.288 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)sc2C)C1 ZINC000603041129 400630474 /nfs/dbraw/zinc/63/04/74/400630474.db2.gz ZOIQGZOEYCKZBO-NSHDSACASA-N 0 0 308.403 3.273 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ncccc1C(=O)OC(C)(C)C ZINC000591951217 400587235 /nfs/dbraw/zinc/58/72/35/400587235.db2.gz UDJKBSYGEFCPQI-JSGCOSHPSA-N 0 0 304.390 3.040 10 30 DGEERN CS(=O)(=O)OCCCc1ccccc1OCc1ccccc1 ZINC000137868503 400596683 /nfs/dbraw/zinc/59/66/83/400596683.db2.gz PUDOTLWVCFNWCX-UHFFFAOYSA-N 0 0 320.410 3.174 10 30 DGEERN C=C(C)CN(C)c1nnc([C@H]2Cc3ccccc3O2)n1CC1CC1 ZINC000612784551 400602978 /nfs/dbraw/zinc/60/29/78/400602978.db2.gz QTCYQPDEIOGCCD-QGZVFWFLSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCOCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000618514616 400608154 /nfs/dbraw/zinc/60/81/54/400608154.db2.gz LXAFSMZGJVKBFN-UHFFFAOYSA-N 0 0 312.413 3.369 10 30 DGEERN C=CCOCCCNC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000618517616 400609192 /nfs/dbraw/zinc/60/91/92/400609192.db2.gz ZNNKMUJPPLDEMN-UHFFFAOYSA-N 0 0 307.821 3.372 10 30 DGEERN C=CCOCCCNC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000618521206 400610812 /nfs/dbraw/zinc/61/08/12/400610812.db2.gz QENRIUOOGCYQLK-UHFFFAOYSA-N 0 0 320.414 3.342 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(F)cc1C(F)(F)F ZINC000618525912 400611294 /nfs/dbraw/zinc/61/12/94/400611294.db2.gz JLGPVVWDCMLZDA-UHFFFAOYSA-N 0 0 305.271 3.167 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000618524850 400611413 /nfs/dbraw/zinc/61/14/13/400611413.db2.gz SLGIEIOKJKBBHY-HNNXBMFYSA-N 0 0 317.429 3.338 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CCC1 ZINC000603154555 400650531 /nfs/dbraw/zinc/65/05/31/400650531.db2.gz GNZLXWIEWCDUMI-SFHVURJKSA-N 0 0 323.440 3.342 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(F)n2)CC1 ZINC000145509661 400646003 /nfs/dbraw/zinc/64/60/03/400646003.db2.gz LHPZENJTOPGRNM-UHFFFAOYSA-N 0 0 305.353 3.013 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)c1ccc(Br)cc1 ZINC000076485081 400657252 /nfs/dbraw/zinc/65/72/52/400657252.db2.gz MBFMPYDVNRNQMU-UHFFFAOYSA-N 0 0 310.191 3.056 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000076486216 400657277 /nfs/dbraw/zinc/65/72/77/400657277.db2.gz WLHDKBIFCSGFFP-KRWDZBQOSA-N 0 0 316.445 3.174 10 30 DGEERN C=CCCCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000076650404 400665508 /nfs/dbraw/zinc/66/55/08/400665508.db2.gz BHUIVSPJSBNKDC-UHFFFAOYSA-N 0 0 305.378 3.212 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2cccc(CC#N)c2)cc1F ZINC000049603506 400669209 /nfs/dbraw/zinc/66/92/09/400669209.db2.gz XEDBBICNUIDATK-GFCCVEGCSA-N 0 0 312.344 3.391 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000613256497 400684080 /nfs/dbraw/zinc/68/40/80/400684080.db2.gz UIPFOTISXCPHQS-KRWDZBQOSA-N 0 0 302.418 3.221 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000613270910 400686896 /nfs/dbraw/zinc/68/68/96/400686896.db2.gz FHAFSULMXLKYAM-USXIJHARSA-N 0 0 303.402 3.004 10 30 DGEERN CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1nccs1 ZINC000153615183 400687968 /nfs/dbraw/zinc/68/79/68/400687968.db2.gz YXWCUZDHLXLJSO-GFCCVEGCSA-N 0 0 304.350 3.427 10 30 DGEERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccc(C#N)cn2)cc1 ZINC000159550760 400730060 /nfs/dbraw/zinc/73/00/60/400730060.db2.gz FCOAODFAHJVMOH-AWEZNQCLSA-N 0 0 323.396 3.479 10 30 DGEERN N#Cc1cc(COc2cc(F)ccc2Br)ccn1 ZINC000160245090 400733729 /nfs/dbraw/zinc/73/37/29/400733729.db2.gz AOJBPTLONGVGIQ-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000613548880 400747024 /nfs/dbraw/zinc/74/70/24/400747024.db2.gz YARSPLLHXNQAKP-DOTOQJQBSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCCCCCN(C)C(=O)c1csc(-c2ncccn2)n1 ZINC000156788263 400713778 /nfs/dbraw/zinc/71/37/78/400713778.db2.gz NHDQRFOQVXPATL-UHFFFAOYSA-N 0 0 316.430 3.419 10 30 DGEERN CCc1cnc(CCNc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000078513290 400807243 /nfs/dbraw/zinc/80/72/43/400807243.db2.gz AQWYBESUIVWDFI-UHFFFAOYSA-N 0 0 302.359 3.140 10 30 DGEERN C=CCC1(C(=O)Nc2cc3cc(OC)ccc3[nH]2)CCOCC1 ZINC000613913630 400811498 /nfs/dbraw/zinc/81/14/98/400811498.db2.gz STBMCHQLYPMSGJ-UHFFFAOYSA-N 0 0 314.385 3.488 10 30 DGEERN COCCOc1ccc(CC=O)c(OCc2ccccc2)c1 ZINC000167876269 400756224 /nfs/dbraw/zinc/75/62/24/400756224.db2.gz PRBNMHGKKCGKFA-UHFFFAOYSA-N 0 0 300.354 3.032 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000613583506 400756664 /nfs/dbraw/zinc/75/66/64/400756664.db2.gz RYZMCRBTFPYISB-BBWFWOEESA-N 0 0 308.466 3.178 10 30 DGEERN N#Cc1c(Br)cccc1NC[C@@H]1CCCC[C@@H]1O ZINC000168555303 400758281 /nfs/dbraw/zinc/75/82/81/400758281.db2.gz GBECFWATZOKTOC-HZMBPMFUSA-N 0 0 309.207 3.284 10 30 DGEERN CCOc1ccc(NC(=O)c2ccc(C#N)nc2)cc1OCC ZINC000170249052 400762623 /nfs/dbraw/zinc/76/26/23/400762623.db2.gz JMYRNONGZXRLCD-UHFFFAOYSA-N 0 0 311.341 3.003 10 30 DGEERN CC[C@H](O)CN(CCOc1ccccc1C#N)c1ccccc1 ZINC000170715254 400770425 /nfs/dbraw/zinc/77/04/25/400770425.db2.gz HCCRTKQVCCXRKC-SFHVURJKSA-N 0 0 310.397 3.215 10 30 DGEERN CC(=O)c1ccc(C(=O)NCC2(C#N)CCCCC2)c(F)c1 ZINC000619219103 400803185 /nfs/dbraw/zinc/80/31/85/400803185.db2.gz PHBJEAGYBXEUEQ-UHFFFAOYSA-N 0 0 302.349 3.232 10 30 DGEERN C[C@@H](C#N)CNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000619612917 400872769 /nfs/dbraw/zinc/87/27/69/400872769.db2.gz OWONNEHFVXYYRM-INIZCTEOSA-N 0 0 306.409 3.364 10 30 DGEERN C=CC[C@@H](CC)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593590473 400876591 /nfs/dbraw/zinc/87/65/91/400876591.db2.gz JDMNDSAYMOGYCP-CQSZACIVSA-N 0 0 306.431 3.121 10 30 DGEERN C=CC[C@H](CC)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593590472 400877227 /nfs/dbraw/zinc/87/72/27/400877227.db2.gz JDMNDSAYMOGYCP-AWEZNQCLSA-N 0 0 306.431 3.121 10 30 DGEERN COc1ccc(C)cc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000619657114 400879001 /nfs/dbraw/zinc/87/90/01/400879001.db2.gz XZSKWUQIWVXTMJ-UHFFFAOYSA-N 0 0 315.417 3.133 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc2nccn21 ZINC000179901543 400880841 /nfs/dbraw/zinc/88/08/41/400880841.db2.gz GYPNZDQOBBKMJO-UHFFFAOYSA-N 0 0 322.368 3.431 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179802660 400880968 /nfs/dbraw/zinc/88/09/68/400880968.db2.gz HDYMWYBHTXHLKS-UHFFFAOYSA-N 0 0 308.303 3.432 10 30 DGEERN Cc1[nH]nc2ncc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc12 ZINC000180164001 400881703 /nfs/dbraw/zinc/88/17/03/400881703.db2.gz SVFSVQMQDAAOSU-UHFFFAOYSA-N 0 0 317.352 3.074 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1 ZINC000619385090 400832332 /nfs/dbraw/zinc/83/23/32/400832332.db2.gz WWZFODNOEOYXBR-CQSZACIVSA-N 0 0 309.356 3.201 10 30 DGEERN CC(C)(C#N)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000180715117 400885569 /nfs/dbraw/zinc/88/55/69/400885569.db2.gz HEBNRMSHYJNRJH-UHFFFAOYSA-N 0 0 303.365 3.391 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000614117850 400840272 /nfs/dbraw/zinc/84/02/72/400840272.db2.gz WFOXCEMXJDQHOH-DLBZAZTESA-N 0 0 314.429 3.244 10 30 DGEERN N#Cc1ccc(CNC(=O)N(CC2CC2)C2CCC2)c(F)c1 ZINC000619427068 400845982 /nfs/dbraw/zinc/84/59/82/400845982.db2.gz VKUIWDRYTBBPGH-UHFFFAOYSA-N 0 0 301.365 3.171 10 30 DGEERN N#CC[C@@H](CC(=O)Nc1ccc2nccn2c1)c1ccccc1 ZINC000619436022 400848292 /nfs/dbraw/zinc/84/82/92/400848292.db2.gz KHOWTMJFZDLIDC-HNNXBMFYSA-N 0 0 304.353 3.360 10 30 DGEERN CCc1ccc(C(=O)CCC(=O)NCC#Cc2ccccc2)cc1 ZINC000055316403 400862549 /nfs/dbraw/zinc/86/25/49/400862549.db2.gz GMEMGHCUJFJHKC-UHFFFAOYSA-N 0 0 319.404 3.380 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000633411319 400939692 /nfs/dbraw/zinc/93/96/92/400939692.db2.gz NXKCHQUUZCPGCQ-MRXNPFEDSA-N 0 0 317.433 3.237 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC(c2nc(C)no2)CC1 ZINC000633411444 400940131 /nfs/dbraw/zinc/94/01/31/400940131.db2.gz SIWHVQKBHHMNNJ-UHFFFAOYSA-N 0 0 320.437 3.259 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000633411500 400940500 /nfs/dbraw/zinc/94/05/00/400940500.db2.gz UWAIGBGJGNKLJL-GFCCVEGCSA-N 0 0 304.381 3.392 10 30 DGEERN CC(=O)Nc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182250340 400891944 /nfs/dbraw/zinc/89/19/44/400891944.db2.gz GWVPBPBPGDADFY-UHFFFAOYSA-N 0 0 319.364 3.452 10 30 DGEERN COC(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182247954 400892206 /nfs/dbraw/zinc/89/22/06/400892206.db2.gz VWDNILTXQNNUOC-UHFFFAOYSA-N 0 0 320.348 3.281 10 30 DGEERN CCc1cnccc1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000182513838 400893049 /nfs/dbraw/zinc/89/30/49/400893049.db2.gz MVMMCUFRZXDEDM-UHFFFAOYSA-N 0 0 318.427 3.277 10 30 DGEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(C)cc2Cl)nn1 ZINC000593937722 400922491 /nfs/dbraw/zinc/92/24/91/400922491.db2.gz XUSQYXBSJLIDOR-NRFANRHFSA-N 0 0 323.849 3.265 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@@H](CC)c2ccc(F)cc2)nn1 ZINC000593935767 400922681 /nfs/dbraw/zinc/92/26/81/400922681.db2.gz IMOLJIKJPUKAAP-KSFYIVLOSA-N 0 0 321.421 3.393 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H](OC)C2CCCC2)cc1 ZINC000614677375 400928874 /nfs/dbraw/zinc/92/88/74/400928874.db2.gz IQMDOROYPBNOPC-KRWDZBQOSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C)cc1 ZINC000619929701 400929397 /nfs/dbraw/zinc/92/93/97/400929397.db2.gz GPNDKKKTSIPFDT-OAHLLOKOSA-N 0 0 315.413 3.425 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCCc2ccc(OC)cc21)OCC ZINC000619937392 400932669 /nfs/dbraw/zinc/93/26/69/400932669.db2.gz KMTDUUOUPQBPDE-QGZVFWFLSA-N 0 0 303.402 3.346 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCn2nccc21 ZINC000633599330 401018847 /nfs/dbraw/zinc/01/88/47/401018847.db2.gz XNQRTSQRQOTJBL-QGZVFWFLSA-N 0 0 324.428 3.158 10 30 DGEERN C=CCCOCC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000624940945 400993890 /nfs/dbraw/zinc/99/38/90/400993890.db2.gz XGYMZFBIXUEIJP-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/96/78/80/400967880.db2.gz TXJJOSYGRFGVON-LYKUJDHUSA-N 0 0 312.421 3.037 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(C(F)F)cc1 ZINC000633487518 400969325 /nfs/dbraw/zinc/96/93/25/400969325.db2.gz ZFDUANLEJMFLDZ-GJZGRUSLSA-N 0 0 309.356 3.264 10 30 DGEERN C#CCC[C@@H](O)c1ccc(I)c(Cl)c1 ZINC000232367095 400972154 /nfs/dbraw/zinc/97/21/54/400972154.db2.gz OECLZZDJRJHMDD-LLVKDONJSA-N 0 0 320.557 3.391 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000624868883 400972613 /nfs/dbraw/zinc/97/26/13/400972613.db2.gz JAZDUQZPPCPQLL-QZTJIDSGSA-N 0 0 314.429 3.342 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc2c1CCOC2 ZINC000633503688 400976455 /nfs/dbraw/zinc/97/64/55/400976455.db2.gz KQWUJYXXUDPXAC-CALCHBBNSA-N 0 0 312.413 3.152 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000633507006 400977955 /nfs/dbraw/zinc/97/79/55/400977955.db2.gz FREHLUZTPCNZPA-NWDGAFQWSA-N 0 0 315.373 3.202 10 30 DGEERN C#CC[C@@H](O)c1cc(Br)cc(Br)c1 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/nfs/dbraw/zinc/60/62/20/401606220.db2.gz GNCSMZULNGGKMC-CABCVRRESA-N 0 0 303.402 3.025 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCOCc2ccc(OC)cc2)C1 ZINC000628487980 401606628 /nfs/dbraw/zinc/60/66/28/401606628.db2.gz PGKDGVGIXBDEIJ-HNNXBMFYSA-N 0 0 303.402 3.027 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCOc2cccc(C(C)=O)c2)C1 ZINC000628486589 401606748 /nfs/dbraw/zinc/60/67/48/401606748.db2.gz MBGIEDWSBIPRHE-INIZCTEOSA-N 0 0 315.413 3.473 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000628486453 401606806 /nfs/dbraw/zinc/60/68/06/401606806.db2.gz IXLAWXDLJXAGAW-AWEZNQCLSA-N 0 0 301.386 3.083 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)C1 ZINC000628492414 401607715 /nfs/dbraw/zinc/60/77/15/401607715.db2.gz UEPGMZFYGKJZCH-FHERZECASA-N 0 0 320.477 3.132 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)CC(=O)c2ccc(OC)cc2)C1 ZINC000628490666 401607869 /nfs/dbraw/zinc/60/78/69/401607869.db2.gz DFAXGJXTKBTVAU-HUUCEWRRSA-N 0 0 315.413 3.329 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000628493215 401608120 /nfs/dbraw/zinc/60/81/20/401608120.db2.gz LLKGBEDHWLIYTK-JHJVBQTASA-N 0 0 305.340 3.159 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000623983011 401608826 /nfs/dbraw/zinc/60/88/26/401608826.db2.gz OHBMTYDPVZVQAA-LALPHHSUSA-N 0 0 306.356 3.428 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2ccn(Cc3ccccc3)n2)C1 ZINC000624021768 401614863 /nfs/dbraw/zinc/61/48/63/401614863.db2.gz UOMSXPZCSQSZHX-INIZCTEOSA-N 0 0 324.428 3.039 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC[C@@H](CC=C)C2)cc1 ZINC000624038934 401616844 /nfs/dbraw/zinc/61/68/44/401616844.db2.gz VGXZMMOYUPBFJU-MRXNPFEDSA-N 0 0 300.402 3.359 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC[C@H](CC=C)C2)cc1 ZINC000624038931 401616963 /nfs/dbraw/zinc/61/69/63/401616963.db2.gz VGXZMMOYUPBFJU-INIZCTEOSA-N 0 0 300.402 3.359 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)C1 ZINC000632667509 401618689 /nfs/dbraw/zinc/61/86/89/401618689.db2.gz VKKWODSOEVPOOZ-LBPRGKRZSA-N 0 0 318.383 3.122 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1cccc2c1CCOC2 ZINC000633152857 401654483 /nfs/dbraw/zinc/65/44/83/401654483.db2.gz GIRTXDUYPOHLTM-CQSZACIVSA-N 0 0 302.418 3.303 10 30 DGEERN C=CCOCCCNC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000624369853 401656402 /nfs/dbraw/zinc/65/64/02/401656402.db2.gz SVZBDDYSYHDWIR-UHFFFAOYSA-N 0 0 308.344 3.001 10 30 DGEERN C=CCCC1(CNC(=O)N2CCO[C@H](CCF)C2)CCCC1 ZINC000624340134 401653154 /nfs/dbraw/zinc/65/31/54/401653154.db2.gz YTHIKWGXAXISOF-OAHLLOKOSA-N 0 0 312.429 3.283 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633151978 401654146 /nfs/dbraw/zinc/65/41/46/401654146.db2.gz BSLMBPQKQOYXHM-ZDUSSCGKSA-N 0 0 306.454 3.406 10 30 DGEERN C=CCCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000624345302 401654282 /nfs/dbraw/zinc/65/42/82/401654282.db2.gz CEPOAICRPHUHQL-UHFFFAOYSA-N 0 0 319.149 3.103 10 30 DGEERN C=CCCCNC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000633197918 401659573 /nfs/dbraw/zinc/65/95/73/401659573.db2.gz ZSOQNMQAIXTPSV-UHFFFAOYSA-N 0 0 306.381 3.345 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1noc2c1CCCC2 ZINC000633245471 401665507 /nfs/dbraw/zinc/66/55/07/401665507.db2.gz NBTKOOZYTAKCKP-UHFFFAOYSA-N 0 0 305.422 3.345 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000624463174 401662622 /nfs/dbraw/zinc/66/26/22/401662622.db2.gz WXIDHSOLFHVQBZ-UHFFFAOYSA-N 0 0 316.401 3.172 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000624464674 401662737 /nfs/dbraw/zinc/66/27/37/401662737.db2.gz KLGRRGKADULVGQ-HOTGVXAUSA-N 0 0 308.466 3.437 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCc2ccc(OC)cc2C1 ZINC000624468110 401663149 /nfs/dbraw/zinc/66/31/49/401663149.db2.gz UNHNHCAENIHOJR-UHFFFAOYSA-N 0 0 302.418 3.365 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629145578 401668725 /nfs/dbraw/zinc/66/87/25/401668725.db2.gz PGPBKGNBQYRIHP-ZFWWWQNUSA-N 0 0 303.427 3.262 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000633314761 401672361 /nfs/dbraw/zinc/67/23/61/401672361.db2.gz DFNZJLPKHNFYKK-FGTMMUONSA-N 0 0 314.429 3.205 10 30 DGEERN C=CCN(CC=C)C(=O)CNc1cccc(C2CCOCC2)c1 ZINC000629215776 401674611 /nfs/dbraw/zinc/67/46/11/401674611.db2.gz VQBBDFBBZYAJBJ-UHFFFAOYSA-N 0 0 314.429 3.193 10 30 DGEERN C=CCC1(c2nc(-c3coc(C4CC4)n3)no2)CCOCC1 ZINC000624717235 401685032 /nfs/dbraw/zinc/68/50/32/401685032.db2.gz WLRZGBBNTLCPJZ-UHFFFAOYSA-N 0 0 301.346 3.226 10 30 DGEERN C=CC(C)(C)CCN1C(=O)[C@H](c2cccc(OC)c2)N(C)C1=O ZINC000629478911 401687136 /nfs/dbraw/zinc/68/71/36/401687136.db2.gz RDGMPZFNCGWBAA-HNNXBMFYSA-N 0 0 316.401 3.233 10 30 DGEERN N#Cc1cnccc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000364338379 287015243 /nfs/dbraw/zinc/01/52/43/287015243.db2.gz ASRNIUNNTAOXGM-GFCCVEGCSA-N 0 0 321.306 3.010 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000178666980 164844599 /nfs/dbraw/zinc/84/45/99/164844599.db2.gz WSNZPDLJNNXUAD-GOSISDBHSA-N 0 0 324.355 3.220 10 30 DGEERN CC1(C)CCC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000183661744 164957162 /nfs/dbraw/zinc/95/71/62/164957162.db2.gz NECRRFQIGXZMKF-UHFFFAOYSA-N 0 0 323.400 3.294 10 30 DGEERN Cc1ccc(CNc2cnn(-c3ncccc3C#N)c2)c(C)c1 ZINC000185839782 165018757 /nfs/dbraw/zinc/01/87/57/165018757.db2.gz HCCZFAJVSCAIRF-UHFFFAOYSA-N 0 0 303.369 3.368 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2cccc3[nH]ccc32)cn1 ZINC000185845452 165018912 /nfs/dbraw/zinc/01/89/12/165018912.db2.gz DHGXKTXGYXTQCR-UHFFFAOYSA-N 0 0 314.352 3.232 10 30 DGEERN N#Cc1ccc(CNCc2ncc(-c3ccccc3)cn2)s1 ZINC000185875603 165019977 /nfs/dbraw/zinc/01/99/77/165019977.db2.gz GVHUYZCELNEYRR-UHFFFAOYSA-N 0 0 306.394 3.367 10 30 DGEERN N#Cc1ccc(Cc2cnc(NCc3cncnc3)s2)cc1 ZINC000185935397 165022256 /nfs/dbraw/zinc/02/22/56/165022256.db2.gz QMTCWKJDHPJALS-UHFFFAOYSA-N 0 0 307.382 3.008 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1 ZINC000186027716 165025142 /nfs/dbraw/zinc/02/51/42/165025142.db2.gz DEFMPAONQICBJX-LBPRGKRZSA-N 0 0 307.332 3.451 10 30 DGEERN CC(C)CSCCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188918600 165140907 /nfs/dbraw/zinc/14/09/07/165140907.db2.gz VDJALOHKXMHADK-UHFFFAOYSA-N 0 0 316.470 3.485 10 30 DGEERN Cc1nc([C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)cs1 ZINC000189923373 165183024 /nfs/dbraw/zinc/18/30/24/165183024.db2.gz ULZNPTOEQWXTED-INIZCTEOSA-N 0 0 323.425 3.308 10 30 DGEERN Cn1ncnc1-c1ccc(OCc2ccc(C#N)c(F)c2)cc1 ZINC000190211856 165193534 /nfs/dbraw/zinc/19/35/34/165193534.db2.gz DZXQENYHYATSQK-UHFFFAOYSA-N 0 0 308.316 3.072 10 30 DGEERN COc1cc(Cl)c(Cl)cc1NC(=O)c1cc(C#N)cn1C ZINC000190776489 165214627 /nfs/dbraw/zinc/21/46/27/165214627.db2.gz YOTDTYYBGOBOEP-UHFFFAOYSA-N 0 0 324.167 3.464 10 30 DGEERN Cc1ccc(C[S@](=O)Cc2ccc(C#N)c(F)c2)c(C)n1 ZINC000190853996 165218827 /nfs/dbraw/zinc/21/88/27/165218827.db2.gz BFQYXPXXBSOCIU-OAQYLSRUSA-N 0 0 302.374 3.158 10 30 DGEERN C[C@@H](c1ccccc1)S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000190889394 165219245 /nfs/dbraw/zinc/21/92/45/165219245.db2.gz BRBJRYNYMGPVLR-LBPRGKRZSA-N 0 0 303.358 3.373 10 30 DGEERN N#Cc1ccc(CSCc2ccc(C(N)=O)cc2)cc1F ZINC000190887486 165219441 /nfs/dbraw/zinc/21/94/41/165219441.db2.gz RMGXINHCUCAEHZ-UHFFFAOYSA-N 0 0 300.358 3.230 10 30 DGEERN Cn1c(SCc2ccc(C#N)c(F)c2)nnc1-c1ccco1 ZINC000190993532 165223573 /nfs/dbraw/zinc/22/35/73/165223573.db2.gz DUPAHIVPPKQBLO-UHFFFAOYSA-N 0 0 314.345 3.378 10 30 DGEERN CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(C#N)c1 ZINC000192485002 165292704 /nfs/dbraw/zinc/29/27/04/165292704.db2.gz ZPBVKFZFVCHZKT-UHFFFAOYSA-N 0 0 305.790 3.330 10 30 DGEERN COc1ccc(OC(C)C)c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193178831 165320061 /nfs/dbraw/zinc/32/00/61/165320061.db2.gz NSXVYUPFLOZEMK-UHFFFAOYSA-N 0 0 311.341 3.001 10 30 DGEERN CC[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)cc1F ZINC000193313807 165322872 /nfs/dbraw/zinc/32/28/72/165322872.db2.gz VMOLGDAYTUIFJQ-HNNXBMFYSA-N 0 0 301.296 3.113 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1c(F)cccc1Cl ZINC000193433705 165327303 /nfs/dbraw/zinc/32/73/03/165327303.db2.gz NMHQRILORGKJIF-SECBINFHSA-N 0 0 303.724 3.237 10 30 DGEERN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccnc(C#N)c1 ZINC000193502875 165327396 /nfs/dbraw/zinc/32/73/96/165327396.db2.gz DWIXKYKAMGGFII-CQSZACIVSA-N 0 0 323.396 3.369 10 30 DGEERN Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1-c1ncco1 ZINC000193573005 165329401 /nfs/dbraw/zinc/32/94/01/165329401.db2.gz YZKHDSDSZSWRHH-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000246195683 165507524 /nfs/dbraw/zinc/50/75/24/165507524.db2.gz MWLFZXBWNGWTRQ-MCIONIFRSA-N 0 0 300.402 3.266 10 30 DGEERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000247009773 165558059 /nfs/dbraw/zinc/55/80/59/165558059.db2.gz RLURZKNFAIAVAK-JGGQBBKZSA-N 0 0 318.442 3.116 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1ccccc1 ZINC000129389844 196044325 /nfs/dbraw/zinc/04/43/25/196044325.db2.gz WMPKCIIBFCVDMK-UHFFFAOYSA-N 0 0 302.337 3.008 10 30 DGEERN CO[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@H]1C ZINC000190414049 432153260 /nfs/dbraw/zinc/15/32/60/432153260.db2.gz UXIKIPSDVKAIEN-TZMCWYRMSA-N 0 0 318.421 3.003 10 30 DGEERN N#C[C@@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)C1CC1 ZINC000171722353 432165760 /nfs/dbraw/zinc/16/57/60/432165760.db2.gz SIVABESEMFIMFA-LLVKDONJSA-N 0 0 319.336 3.120 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000137022636 432168719 /nfs/dbraw/zinc/16/87/19/432168719.db2.gz GDKRXQPBEAWWLK-UONOGXRCSA-N 0 0 324.380 3.251 10 30 DGEERN COc1ccc(CSc2nnc(C)c(C)c2C#N)cc1C#N ZINC000182703703 432221122 /nfs/dbraw/zinc/22/11/22/432221122.db2.gz XXTIWNBFKNASEC-UHFFFAOYSA-N 0 0 310.382 3.138 10 30 DGEERN CCOc1cccc(CCNC(=O)c2ccc(C#N)cc2C)c1 ZINC000133888587 196343597 /nfs/dbraw/zinc/34/35/97/196343597.db2.gz IHKZZAVSAYLHKW-UHFFFAOYSA-N 0 0 308.381 3.238 10 30 DGEERN COc1ccc(Br)cc1CN[C@H]1CCC[C@H]1C#N ZINC000061891771 226809896 /nfs/dbraw/zinc/80/98/96/226809896.db2.gz BZASJOHOXVZBMS-GWCFXTLKSA-N 0 0 309.207 3.240 10 30 DGEERN N#CCSc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000126869062 227002051 /nfs/dbraw/zinc/00/20/51/227002051.db2.gz LXHCFROBMDRWMR-FGTMMUONSA-N 0 0 320.417 3.370 10 30 DGEERN N#Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc2ccccc12 ZINC000128341994 227008860 /nfs/dbraw/zinc/00/88/60/227008860.db2.gz AULTVPYGUNMMNZ-DNVCBOLYSA-N 0 0 307.397 3.238 10 30 DGEERN N#CCC[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000132497876 227030462 /nfs/dbraw/zinc/03/04/62/227030462.db2.gz XAGFEDGBUNGUCN-DLBZAZTESA-N 0 0 321.380 3.464 10 30 DGEERN N#CCN(C(=O)c1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000172863274 228277831 /nfs/dbraw/zinc/27/78/31/228277831.db2.gz UYTFSRUZCOAFTD-UHFFFAOYSA-N 0 0 312.398 3.113 10 30 DGEERN N#CCSc1cccc(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000175702421 228304369 /nfs/dbraw/zinc/30/43/69/228304369.db2.gz QOOOLDNMUUSQTH-HNNXBMFYSA-N 0 0 310.378 3.166 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000176631162 228317282 /nfs/dbraw/zinc/31/72/82/228317282.db2.gz BTXGQUBQEBJCAP-UHFFFAOYSA-N 0 0 316.773 3.412 10 30 DGEERN C[C@H](c1ccccn1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180032248 228353967 /nfs/dbraw/zinc/35/39/67/228353967.db2.gz NZXMHXJQEWUGMR-CQSZACIVSA-N 0 0 305.381 3.470 10 30 DGEERN CCn1cc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)cn1 ZINC000180562278 228357636 /nfs/dbraw/zinc/35/76/36/228357636.db2.gz PKOOYOOMJVSCEH-AATRIKPKSA-N 0 0 312.398 3.386 10 30 DGEERN N#CC1(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)CCCC1 ZINC000181640448 228363601 /nfs/dbraw/zinc/36/36/01/228363601.db2.gz WVIUVXXVWSFGGU-UHFFFAOYSA-N 0 0 319.792 3.090 10 30 DGEERN N#Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1O ZINC000190736599 228513709 /nfs/dbraw/zinc/51/37/09/228513709.db2.gz CCGMICUTGDCWPY-KRWDZBQOSA-N 0 0 324.355 3.250 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000246436978 228622935 /nfs/dbraw/zinc/62/29/35/228622935.db2.gz JYOHPQHIRXGKAL-NSODJVPESA-N 0 0 321.446 3.361 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H](O)C1CCCCC1 ZINC000328658917 228906885 /nfs/dbraw/zinc/90/68/85/228906885.db2.gz RWVIULPZAPSFRV-YESZJQIVSA-N 0 0 318.417 3.199 10 30 DGEERN Cn1ncc2c1C[C@@H](C(=O)NCc1ccc3ccccc3n1)CC2 ZINC000328684670 228908047 /nfs/dbraw/zinc/90/80/47/228908047.db2.gz WXJRMCIAJFEQOK-AWEZNQCLSA-N 0 0 320.396 3.230 10 30 DGEERN Cc1ncc(NC(=O)C[C@@H](C)N2CCCCC2=O)c(C2CC2)n1 ZINC000328736287 228910398 /nfs/dbraw/zinc/91/03/98/228910398.db2.gz JONSAZVEEXBCGJ-LLVKDONJSA-N 0 0 316.405 3.042 10 30 DGEERN C[C@H]1CCN(C(=O)Nc2cn(C)nc2C2CC2)CC12CCC2 ZINC000329637098 228952279 /nfs/dbraw/zinc/95/22/79/228952279.db2.gz VMJASRHCYZRENK-LBPRGKRZSA-N 0 0 302.422 3.355 10 30 DGEERN O=C(Nc1cc(F)ccc1-n1cccn1)N1C[C@@H]2CCC[C@@H]21 ZINC000329912788 228967343 /nfs/dbraw/zinc/96/73/43/228967343.db2.gz BLTGHWZMINJAHM-FZMZJTMJSA-N 0 0 300.337 3.041 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333651236 229039073 /nfs/dbraw/zinc/03/90/73/229039073.db2.gz UVXFCQDDZJDBGT-VFVAKGGASA-N 0 0 319.355 3.334 10 30 DGEERN CCn1c(Cc2ccccc2C)nnc1N(CCC#N)CC1CC1 ZINC000358673516 229363881 /nfs/dbraw/zinc/36/38/81/229363881.db2.gz ANZXDNQYNPCZIY-UHFFFAOYSA-N 0 0 323.444 3.327 10 30 DGEERN N#Cc1cnc2ccc(Cl)cc2c1NCC1(CCO)CC1 ZINC000302396792 230232334 /nfs/dbraw/zinc/23/23/34/230232334.db2.gz DDCQXPOBEXDKKU-UHFFFAOYSA-N 0 0 301.777 3.334 10 30 DGEERN Cc1ccc(N2CCC(OCCc3ccccc3)CC2)nc1C#N ZINC000302682332 230348148 /nfs/dbraw/zinc/34/81/48/230348148.db2.gz XHRTXLQRXWOBOB-UHFFFAOYSA-N 0 0 321.424 3.490 10 30 DGEERN C[C@@H](C(=O)N1c2ccccc2[C@H](C)CC1(C)C)n1cnc(C#N)n1 ZINC000361891014 269823269 /nfs/dbraw/zinc/82/32/69/269823269.db2.gz ASLYYTGVISFHOW-OLZOCXBDSA-N 0 0 323.400 3.030 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000185639961 263641059 /nfs/dbraw/zinc/64/10/59/263641059.db2.gz KNJLLOWADKNTBK-GFCCVEGCSA-N 0 0 310.328 3.434 10 30 DGEERN N#Cc1ccncc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000521394207 269977445 /nfs/dbraw/zinc/97/74/45/269977445.db2.gz OLIAHGJNCAKGBJ-ZDUSSCGKSA-N 0 0 323.318 3.148 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000357411713 270003849 /nfs/dbraw/zinc/00/38/49/270003849.db2.gz IWKFVPXNVNPQAR-UHFFFAOYSA-N 0 0 305.259 3.153 10 30 DGEERN CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1[N+](=O)[O-] ZINC000357379393 270003899 /nfs/dbraw/zinc/00/38/99/270003899.db2.gz IHDYWSTVMGUXIK-UHFFFAOYSA-N 0 0 324.340 3.411 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000371043798 265676014 /nfs/dbraw/zinc/67/60/14/265676014.db2.gz OQFIBYIPYYUGOO-UHFFFAOYSA-N 0 0 318.376 3.002 10 30 DGEERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)cc1Br ZINC000191184544 432231695 /nfs/dbraw/zinc/23/16/95/432231695.db2.gz JGDZIEFNRMTKDR-GHMZBOCLSA-N 0 0 323.234 3.054 10 30 DGEERN CC1(C)CN(c2ncc(Br)cc2C#N)CCS1 ZINC000297509351 265967551 /nfs/dbraw/zinc/96/75/51/265967551.db2.gz NQPKUKRUXQMSHN-UHFFFAOYSA-N 0 0 312.236 3.048 10 30 DGEERN C=C(C)C[C@H](Nc1cc(C(F)F)nc(SC)n1)C(=O)OC ZINC000601226003 425053536 /nfs/dbraw/zinc/05/35/36/425053536.db2.gz CMOXYDHXHNEXHM-VIFPVBQESA-N 0 0 317.361 3.056 10 30 DGEERN COc1cc(C#N)cc(OCc2nccn2Cc2ccccc2)c1 ZINC000362714217 266782285 /nfs/dbraw/zinc/78/22/85/266782285.db2.gz WJPHYSLSTGDHOF-UHFFFAOYSA-N 0 0 319.364 3.391 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)NC[C@@](C)(O)CCC(C)C ZINC000151283719 432235179 /nfs/dbraw/zinc/23/51/79/432235179.db2.gz FLFYIDKANMMHRR-KRWDZBQOSA-N 0 0 303.406 3.175 10 30 DGEERN CCCN1Cc2cccc(NC(=O)Cc3cccc(C#N)c3)c2C1 ZINC000531152114 267020248 /nfs/dbraw/zinc/02/02/48/267020248.db2.gz ATCNKHCMCZKBSS-UHFFFAOYSA-N 0 0 319.408 3.465 10 30 DGEERN CCOc1cccc([C@@H](C)NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531386607 267174388 /nfs/dbraw/zinc/17/43/88/267174388.db2.gz NPLUZJPZIJQNLW-CQSZACIVSA-N 0 0 308.381 3.377 10 30 DGEERN COc1ccc([C@H]2CCN(C(=O)Cc3cccc(C#N)c3)C2)cc1 ZINC000530676855 267645560 /nfs/dbraw/zinc/64/55/60/267645560.db2.gz YTZNJIOFBQYUTO-SFHVURJKSA-N 0 0 320.392 3.125 10 30 DGEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000531384655 267879482 /nfs/dbraw/zinc/87/94/82/267879482.db2.gz LKEZYVFHZWYNAM-KXBFYZLASA-N 0 0 320.392 3.089 10 30 DGEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000531384654 267879616 /nfs/dbraw/zinc/87/96/16/267879616.db2.gz LKEZYVFHZWYNAM-HNAYVOBHSA-N 0 0 320.392 3.089 10 30 DGEERN N#Cc1cccc(Cl)c1NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374573512 268256968 /nfs/dbraw/zinc/25/69/68/268256968.db2.gz ZRUIFZYCQQJMDR-CZUORRHYSA-N 0 0 320.820 3.191 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCc3cc(F)c(F)cc32)c1 ZINC000530915953 268273352 /nfs/dbraw/zinc/27/33/52/268273352.db2.gz DEHIKKWKGDYMDA-UHFFFAOYSA-N 0 0 312.319 3.358 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000357408848 268296665 /nfs/dbraw/zinc/29/66/65/268296665.db2.gz JYAFNPDNEGVECD-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000357398299 268296963 /nfs/dbraw/zinc/29/69/63/268296963.db2.gz IOZYXXSLNQEGRI-UHFFFAOYSA-N 0 0 307.231 3.104 10 30 DGEERN C=C[C@@H](CC(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000270420784 432243944 /nfs/dbraw/zinc/24/39/44/432243944.db2.gz ZYWBSTWLDMBPAI-HKUYNNGSSA-N 0 0 309.409 3.066 10 30 DGEERN CCc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000151460566 432248635 /nfs/dbraw/zinc/24/86/35/432248635.db2.gz SUQGUKGIWPERKK-UHFFFAOYSA-N 0 0 304.346 3.061 10 30 DGEERN N#Cc1cnccc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000372955960 271586099 /nfs/dbraw/zinc/58/60/99/271586099.db2.gz XIJWZTKCBAZCJW-INIZCTEOSA-N 0 0 317.751 3.324 10 30 DGEERN C[C@@H]1CC[C@H](NC(=O)N2CCc3cncnc3C2)c2ccccc21 ZINC000328698248 287720325 /nfs/dbraw/zinc/72/03/25/287720325.db2.gz HMCYLNCAFUQHLW-DYVFJYSZSA-N 0 0 322.412 3.387 10 30 DGEERN N#Cc1cc(N2C[C@H]3CCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301625355 274920783 /nfs/dbraw/zinc/92/07/83/274920783.db2.gz ZRCIMTXJONHBKP-VXGBXAGGSA-N 0 0 308.341 3.251 10 30 DGEERN N#Cc1cc(N2C[C@@H]3CCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301625352 274920794 /nfs/dbraw/zinc/92/07/94/274920794.db2.gz ZRCIMTXJONHBKP-RYUDHWBXSA-N 0 0 308.341 3.251 10 30 DGEERN N#Cc1ccc(N2CCc3cccc(Br)c3C2)nc1 ZINC000301266645 274925232 /nfs/dbraw/zinc/92/52/32/274925232.db2.gz FNKPWJPCFXENEP-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN C=CCOc1ccccc1CNc1ccn([C@@H](C)COC)n1 ZINC000495173080 429183168 /nfs/dbraw/zinc/18/31/68/429183168.db2.gz MCWGZROLKREJMR-AWEZNQCLSA-N 0 0 301.390 3.267 10 30 DGEERN C=C[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000486469133 275438727 /nfs/dbraw/zinc/43/87/27/275438727.db2.gz MRIIDVFYWSREFP-LBPRGKRZSA-N 0 0 304.346 3.235 10 30 DGEERN CC1(C)CN(c2ncc(Br)cc2C#N)CC(C)(C)O1 ZINC000295083556 276136537 /nfs/dbraw/zinc/13/65/37/276136537.db2.gz RLAOOFXZPJNZCA-UHFFFAOYSA-N 0 0 324.222 3.110 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCC2 ZINC000187349342 276477397 /nfs/dbraw/zinc/47/73/97/276477397.db2.gz FZWXROQNBKPRII-DLBZAZTESA-N 0 0 324.424 3.054 10 30 DGEERN C=CCNc1ncc(C(=O)N2CC(Cc3cccs3)C2)s1 ZINC000630027398 429963477 /nfs/dbraw/zinc/96/34/77/429963477.db2.gz CVNCDTXKWXOMRV-UHFFFAOYSA-N 0 0 319.455 3.117 10 30 DGEERN C=C(C)CN(C)C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000479313384 276858252 /nfs/dbraw/zinc/85/82/52/276858252.db2.gz VASXUPGIIRXJJQ-UHFFFAOYSA-N 0 0 310.397 3.102 10 30 DGEERN C=CC(C)(C)CN1C(=O)[C@@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000419991397 276880930 /nfs/dbraw/zinc/88/09/30/276880930.db2.gz BFPMUOAROXLMNM-CABCVRRESA-N 0 0 304.434 3.432 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(CCOC)[C@H]1CCOC1 ZINC000337609461 276888284 /nfs/dbraw/zinc/88/82/84/276888284.db2.gz SUCNHOYJFJSKBC-INIZCTEOSA-N 0 0 318.417 3.074 10 30 DGEERN CC(C)(C#N)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000372909397 277119902 /nfs/dbraw/zinc/11/99/02/277119902.db2.gz SDZRUTLONPXFIU-UHFFFAOYSA-N 0 0 301.777 3.187 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000338847682 277784520 /nfs/dbraw/zinc/78/45/20/277784520.db2.gz BZRWFKYZSGVHEU-JKSUJKDBSA-N 0 0 318.465 3.231 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000362546301 277791743 /nfs/dbraw/zinc/79/17/43/277791743.db2.gz XDHFDKTVZNOHOQ-XQHKEYJVSA-N 0 0 305.340 3.157 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](OCC)C1(CC)CC ZINC000346186097 277794117 /nfs/dbraw/zinc/79/41/17/277794117.db2.gz QGSAUPQJMXKRCH-VGWMRTNUSA-N 0 0 309.450 3.068 10 30 DGEERN COc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc(C)n1 ZINC000443418595 277801494 /nfs/dbraw/zinc/80/14/94/277801494.db2.gz NVJZEJLNCAKEPV-UHFFFAOYSA-N 0 0 312.373 3.079 10 30 DGEERN Cc1nc(-c2ccc(CNc3ccc(C#N)nn3)cc2)cs1 ZINC000611240091 430567726 /nfs/dbraw/zinc/56/77/26/430567726.db2.gz GGQWKDJHJUMUGZ-UHFFFAOYSA-N 0 0 307.382 3.392 10 30 DGEERN C=CC[C@@H]1N(c2nnc([C@]3(C)CCCO3)n2C)CCCC1(C)C ZINC000453424611 277884625 /nfs/dbraw/zinc/88/46/25/277884625.db2.gz KMERTBKSJAZEOI-KSSFIOAISA-N 0 0 318.465 3.412 10 30 DGEERN C=CCn1c(N2CCC[C@@H]2C(C)C)nnc1[C@]1(C)CCCO1 ZINC000453444798 277893724 /nfs/dbraw/zinc/89/37/24/277893724.db2.gz SXVKNXJPTMMUJW-PBHICJAKSA-N 0 0 304.438 3.115 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189193148 277916304 /nfs/dbraw/zinc/91/63/04/277916304.db2.gz KHKGPBDDEZTMOA-QGZVFWFLSA-N 0 0 309.450 3.165 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437881296 277918981 /nfs/dbraw/zinc/91/89/81/277918981.db2.gz BCUQTFAIODEWJM-BDEJMISXSA-N 0 0 317.429 3.285 10 30 DGEERN C=CCc1c(OC(C)=O)c2cccnc2n(-c2ccccc2)c1=O ZINC000000024928 431111316 /nfs/dbraw/zinc/11/13/16/431111316.db2.gz LKJRSIKJPNFWNO-UHFFFAOYSA-N 0 0 320.348 3.040 10 30 DGEERN N#Cc1cccc(CNC(=O)NCCCc2cccc(F)c2)c1 ZINC000069074372 431162691 /nfs/dbraw/zinc/16/26/91/431162691.db2.gz KGRKPMGQCQDUCB-UHFFFAOYSA-N 0 0 311.360 3.129 10 30 DGEERN CC(C)n1nnnc1CNc1ccccc1S[C@H](C)CC#N ZINC000109002249 431166216 /nfs/dbraw/zinc/16/62/16/431166216.db2.gz ZGYSRSOZZKCBFK-GFCCVEGCSA-N 0 0 316.434 3.260 10 30 DGEERN N#CCCN(CC1CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109124401 431171998 /nfs/dbraw/zinc/17/19/98/431171998.db2.gz ZAEFBHMWXUXOEB-KBPBESRZSA-N 0 0 304.340 3.221 10 30 DGEERN C=CCSCCNC(=O)Cc1c[nH]c2c1cccc2CC ZINC000109263596 431176084 /nfs/dbraw/zinc/17/60/84/431176084.db2.gz FXSKWTGBNUXCAV-UHFFFAOYSA-N 0 0 302.443 3.308 10 30 DGEERN C=CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000110361657 431187464 /nfs/dbraw/zinc/18/74/64/431187464.db2.gz OJYPBEIJCCYVPB-SUMWQHHRSA-N 0 0 312.413 3.319 10 30 DGEERN Cn1c(CN(CCC#N)CC(C)(C)C)nnc1-c1ccccc1 ZINC000111250669 431198417 /nfs/dbraw/zinc/19/84/17/431198417.db2.gz KDHYUNARHPFMRV-UHFFFAOYSA-N 0 0 311.433 3.244 10 30 DGEERN C[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)s1 ZINC000068878011 431147665 /nfs/dbraw/zinc/14/76/65/431147665.db2.gz RAQWGBAUCNGSLF-SECBINFHSA-N 0 0 306.840 3.076 10 30 DGEERN CCCCOc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1OCC ZINC000108828628 431156539 /nfs/dbraw/zinc/15/65/39/431156539.db2.gz XPALRCLGFWARNQ-OAHLLOKOSA-N 0 0 316.401 3.296 10 30 DGEERN N#C[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C1CC1 ZINC000108834231 431157184 /nfs/dbraw/zinc/15/71/84/431157184.db2.gz FFNSUUKXLVNOHP-GFCCVEGCSA-N 0 0 317.801 3.495 10 30 DGEERN N#Cc1ccnc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000282973095 279537160 /nfs/dbraw/zinc/53/71/60/279537160.db2.gz GKSQSPSWBSPUIK-KRWDZBQOSA-N 0 0 305.381 3.191 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000194602561 279540557 /nfs/dbraw/zinc/54/05/57/279540557.db2.gz VQGHBIMLLNPZBP-UHFFFAOYSA-N 0 0 307.378 3.300 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)c1nc(C(C)C)no1 ZINC000072921076 431358821 /nfs/dbraw/zinc/35/88/21/431358821.db2.gz APQGRXXIYHTNMU-LLVKDONJSA-N 0 0 322.372 3.241 10 30 DGEERN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000073605934 431373783 /nfs/dbraw/zinc/37/37/83/431373783.db2.gz ZNXFQHKXQPHXKS-LBPRGKRZSA-N 0 0 315.373 3.129 10 30 DGEERN CCc1nccn1[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000114709726 431407080 /nfs/dbraw/zinc/40/70/80/431407080.db2.gz CVMMRDIYLWBGNL-ZDUSSCGKSA-N 0 0 315.808 3.207 10 30 DGEERN C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCS1 ZINC000171721421 279801438 /nfs/dbraw/zinc/80/14/38/279801438.db2.gz BGLDXHAISXFZCT-NSHDSACASA-N 0 0 306.435 3.084 10 30 DGEERN CCN(C(=O)c1ccccc1OCC#N)[C@@H](C)c1cccnc1 ZINC000115227868 431441828 /nfs/dbraw/zinc/44/18/28/431441828.db2.gz FBYAGCUNENLANB-AWEZNQCLSA-N 0 0 309.369 3.207 10 30 DGEERN CC(C)c1ccc2c(c1)C(=O)c1ccc(C#N)cc1S2(=O)=O ZINC000013606000 431561304 /nfs/dbraw/zinc/56/13/04/431561304.db2.gz SNAIBNSLTGIWJW-UHFFFAOYSA-N 0 0 311.362 3.059 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000076492570 431553515 /nfs/dbraw/zinc/55/35/15/431553515.db2.gz ZAUWQEJUWFWODF-LLVKDONJSA-N 0 0 304.415 3.158 10 30 DGEERN N#Cc1ccc(CNC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000117597957 431570562 /nfs/dbraw/zinc/57/05/62/431570562.db2.gz ZZBQNBCNEDJHRH-INIZCTEOSA-N 0 0 306.365 3.131 10 30 DGEERN N#Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 ZINC000014497458 431592977 /nfs/dbraw/zinc/59/29/77/431592977.db2.gz JGHUUGWOGNIUFN-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN Cc1cc(C)c(S(=O)(=O)/N=C2/C=CC(=O)C(Cl)=C2)c(C)c1 ZINC000087705943 280395109 /nfs/dbraw/zinc/39/51/09/280395109.db2.gz BBRMKSTVHDPHOJ-ATVHPVEESA-N 0 0 323.801 3.003 10 30 DGEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000329654118 280403483 /nfs/dbraw/zinc/40/34/83/280403483.db2.gz LSDATFLXPVXTBQ-PSASIEDQSA-N 0 0 305.300 3.088 10 30 DGEERN N#Cc1c(CN2CCC(=O)Nc3ccccc32)cn2ccccc12 ZINC000118845995 431624401 /nfs/dbraw/zinc/62/44/01/431624401.db2.gz QLJCQUHUICATSC-UHFFFAOYSA-N 0 0 316.364 3.160 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(OCC(=C)C)c1 ZINC000077861776 431626646 /nfs/dbraw/zinc/62/66/46/431626646.db2.gz ZAAMSCSAEFLPEL-UHFFFAOYSA-N 0 0 316.401 3.005 10 30 DGEERN C=CCOc1ccc(C(=O)NCCCCSC)cc1OC ZINC000119051793 431640348 /nfs/dbraw/zinc/64/03/48/431640348.db2.gz KIAKDSCOKDTESC-UHFFFAOYSA-N 0 0 309.431 3.133 10 30 DGEERN C=CCn1c(C)nnc1S[C@H](C)C(=O)c1cc(F)ccc1F ZINC000078546293 431681022 /nfs/dbraw/zinc/68/10/22/431681022.db2.gz DORJIWQCGKFCLO-SECBINFHSA-N 0 0 323.368 3.414 10 30 DGEERN Cc1csc(CCCCNC(=O)c2ccc(C#N)cc2C)n1 ZINC000119468825 431696440 /nfs/dbraw/zinc/69/64/40/431696440.db2.gz DBEUFJHVYQCBGH-UHFFFAOYSA-N 0 0 313.426 3.384 10 30 DGEERN N#CCCCC[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000078712969 431699447 /nfs/dbraw/zinc/69/94/47/431699447.db2.gz AZOLDZLINCVBEC-NRFANRHFSA-N 0 0 306.362 3.423 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CC=O)[C@@H]1CC[C@@H]2O ZINC000028569019 431708326 /nfs/dbraw/zinc/70/83/26/431708326.db2.gz MUIBEBOESLAUGZ-NPBKEMFKSA-N 0 0 318.457 3.240 10 30 DGEERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2(C#N)CCCC2)cc1 ZINC000080253780 431764760 /nfs/dbraw/zinc/76/47/60/431764760.db2.gz MKILGHCHZYKWMM-CQSZACIVSA-N 0 0 322.412 3.442 10 30 DGEERN C=CCN(Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000119933519 431719654 /nfs/dbraw/zinc/71/96/54/431719654.db2.gz ULGJFXHEVFRLSP-UHFFFAOYSA-N 0 0 308.410 3.456 10 30 DGEERN C#CCCCCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000120154896 431723462 /nfs/dbraw/zinc/72/34/62/431723462.db2.gz OVYNIFRZQMMUJD-UHFFFAOYSA-N 0 0 303.377 3.389 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000081551328 431791597 /nfs/dbraw/zinc/79/15/97/431791597.db2.gz GYECQYHTOFWRJO-UHFFFAOYSA-N 0 0 313.332 3.219 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000081547519 431792073 /nfs/dbraw/zinc/79/20/73/431792073.db2.gz PHZVSSRLHDDIDL-HOCLYGCPSA-N 0 0 307.397 3.223 10 30 DGEERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081547463 431792557 /nfs/dbraw/zinc/79/25/57/431792557.db2.gz LRJRZGOTBWZBSI-WFASDCNBSA-N 0 0 311.360 3.054 10 30 DGEERN C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000121548198 431800928 /nfs/dbraw/zinc/80/09/28/431800928.db2.gz MZGJVZWCZFNEJL-INIZCTEOSA-N 0 0 315.376 3.101 10 30 DGEERN O[C@@H](CN[C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000122030253 431810408 /nfs/dbraw/zinc/81/04/08/431810408.db2.gz ILNHDVYTASPPAJ-CBAPKCEASA-N 0 0 323.183 3.081 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083654011 431811399 /nfs/dbraw/zinc/81/13/99/431811399.db2.gz QFFJAFOMZYCICZ-KGLIPLIRSA-N 0 0 318.417 3.167 10 30 DGEERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084113969 431816570 /nfs/dbraw/zinc/81/65/70/431816570.db2.gz DTSOVXHGEYUVDV-SECBINFHSA-N 0 0 304.346 3.258 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000121404953 431780790 /nfs/dbraw/zinc/78/07/90/431780790.db2.gz JEUISXMDNQCILL-UHFFFAOYSA-N 0 0 324.428 3.204 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000081152190 431787096 /nfs/dbraw/zinc/78/70/96/431787096.db2.gz QOPTVORWVZSVSU-UHFFFAOYSA-N 0 0 311.238 3.307 10 30 DGEERN CC(C)N(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C#N ZINC000089194851 431860986 /nfs/dbraw/zinc/86/09/86/431860986.db2.gz FOTWLZJLVZRDQS-UHFFFAOYSA-N 0 0 304.394 3.332 10 30 DGEERN C=C[C@H](CC(=O)Nc1cc(-c2nccn2C)[nH]n1)c1ccccc1 ZINC000089512599 431869070 /nfs/dbraw/zinc/86/90/70/431869070.db2.gz GOSBKBBXVQAUNP-CYBMUJFWSA-N 0 0 321.384 3.109 10 30 DGEERN N#CC1(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC000043566583 431869138 /nfs/dbraw/zinc/86/91/38/431869138.db2.gz YCEUXNRRGRHHFZ-UHFFFAOYSA-N 0 0 300.255 3.411 10 30 DGEERN C=C[C@H](CC(=O)N(C)c1cccnc1N(C)C)c1ccccc1 ZINC000122243732 431822541 /nfs/dbraw/zinc/82/25/41/431822541.db2.gz NGTCWDMWKJPHOZ-OAHLLOKOSA-N 0 0 309.413 3.470 10 30 DGEERN C=CCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000047245076 431907984 /nfs/dbraw/zinc/90/79/84/431907984.db2.gz AGUQJWFSRMRWKL-UHFFFAOYSA-N 0 0 307.191 3.014 10 30 DGEERN C=CCN(Cc1cccc2c1OCCCO2)CC(F)(F)F ZINC000092471802 431910090 /nfs/dbraw/zinc/91/00/90/431910090.db2.gz RGMGZGHBSRHMOA-UHFFFAOYSA-N 0 0 301.308 3.398 10 30 DGEERN C#C[C@](CC)(OC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000095831385 431926348 /nfs/dbraw/zinc/92/63/48/431926348.db2.gz OIZAHVWRMWYJDL-GFCCVEGCSA-N 0 0 301.220 3.096 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NCCC2CCCC2)cc1 ZINC000048160337 431920720 /nfs/dbraw/zinc/92/07/20/431920720.db2.gz PEBIMVGILDWSNL-UHFFFAOYSA-N 0 0 315.417 3.304 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089778505 431878539 /nfs/dbraw/zinc/87/85/39/431878539.db2.gz SXSMGOVHDSNPNE-VIFPVBQESA-N 0 0 320.336 3.185 10 30 DGEERN COCCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091000736 431899510 /nfs/dbraw/zinc/89/95/10/431899510.db2.gz YTUAFTVFQZHLCO-UHFFFAOYSA-N 0 0 323.396 3.061 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CN(Cc1ccco1)C1CCCC1 ZINC000125854987 431937482 /nfs/dbraw/zinc/93/74/82/431937482.db2.gz WUJVJICCWJFKKS-HNNXBMFYSA-N 0 0 317.433 3.032 10 30 DGEERN C=CCCOCCNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000127116834 431965507 /nfs/dbraw/zinc/96/55/07/431965507.db2.gz BWGKVAHWZCGEQQ-INIZCTEOSA-N 0 0 304.434 3.160 10 30 DGEERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)CCO2)o1 ZINC000127324617 431968903 /nfs/dbraw/zinc/96/89/03/431968903.db2.gz XGLVMYMLCCZBGV-IWHGQQBYSA-N 0 0 322.364 3.073 10 30 DGEERN N#CCCn1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000173358248 432274116 /nfs/dbraw/zinc/27/41/16/432274116.db2.gz YOJSWHKKXSKPNM-QGZVFWFLSA-N 0 0 313.405 3.151 10 30 DGEERN CC[C@@]1(C)CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000173497982 432282600 /nfs/dbraw/zinc/28/26/00/432282600.db2.gz YFMGBDHHGVVTMM-KDOFPFPSSA-N 0 0 300.402 3.364 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000151860572 432283306 /nfs/dbraw/zinc/28/33/06/432283306.db2.gz QPIFWLAFDNSGCA-CKEIUWERSA-N 0 0 321.392 3.095 10 30 DGEERN CCc1ccc([C@H]2CCCCN2S(=O)(=O)CCCC#N)o1 ZINC000173718038 432296895 /nfs/dbraw/zinc/29/68/95/432296895.db2.gz PAOCDLXEYHEFSI-CQSZACIVSA-N 0 0 310.419 3.003 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000058988440 431997858 /nfs/dbraw/zinc/99/78/58/431997858.db2.gz GMRBLELUKUDQPP-NVXWUHKLSA-N 0 0 317.429 3.210 10 30 DGEERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1SCCC#N ZINC000191475754 432268450 /nfs/dbraw/zinc/26/84/50/432268450.db2.gz ZTNHRMBTAIKLSD-CHWSQXEVSA-N 0 0 304.415 3.446 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000174223706 432330422 /nfs/dbraw/zinc/33/04/22/432330422.db2.gz URKNMXNMWDQSQN-ZIAGYGMSSA-N 0 0 322.424 3.298 10 30 DGEERN COC(=O)C1(NCc2ccc(C#N)c(F)c2)CCCCCC1 ZINC000192141285 432336680 /nfs/dbraw/zinc/33/66/80/432336680.db2.gz UNNYNIOXXSFVOM-UHFFFAOYSA-N 0 0 304.365 3.053 10 30 DGEERN Cn1cc(-c2cc(COc3ccc(C#N)cc3Cl)on2)cn1 ZINC000183971963 432340284 /nfs/dbraw/zinc/34/02/84/432340284.db2.gz WZYZUDHBIDEMEI-UHFFFAOYSA-N 0 0 314.732 3.179 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000173900799 432306925 /nfs/dbraw/zinc/30/69/25/432306925.db2.gz IWKHNIFPADJEBT-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN CCC1(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCC1 ZINC000183647985 432313474 /nfs/dbraw/zinc/31/34/74/432313474.db2.gz WBTDYRUJZHZLTL-UHFFFAOYSA-N 0 0 309.373 3.048 10 30 DGEERN O=C(Cc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175010363 432388590 /nfs/dbraw/zinc/38/85/90/432388590.db2.gz OSAPMVQJNOYNOC-UHFFFAOYSA-N 0 0 317.310 3.416 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000184438696 432391989 /nfs/dbraw/zinc/39/19/89/432391989.db2.gz VTSOJXLXTRWXGH-LSDHHAIUSA-N 0 0 316.449 3.270 10 30 DGEERN COc1ccc(COc2cccc(-n3ccnc3)c2)cc1C#N ZINC000153358974 432403170 /nfs/dbraw/zinc/40/31/70/432403170.db2.gz KETVKVJFCBISPE-UHFFFAOYSA-N 0 0 305.337 3.332 10 30 DGEERN C=CCCO[C@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175168878 432406220 /nfs/dbraw/zinc/40/62/20/432406220.db2.gz WAZFSNUMLWFKBW-CYBMUJFWSA-N 0 0 321.421 3.060 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000152902842 432366401 /nfs/dbraw/zinc/36/64/01/432366401.db2.gz VXAKNUFQEHCWFF-AWEZNQCLSA-N 0 0 308.381 3.323 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC000184774265 432432182 /nfs/dbraw/zinc/43/21/82/432432182.db2.gz SXZRIGWVHGWOME-SJORKVTESA-N 0 0 300.402 3.190 10 30 DGEERN C=CCCCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000175404516 432432797 /nfs/dbraw/zinc/43/27/97/432432797.db2.gz DNZGQZAKMROITD-UHFFFAOYSA-N 0 0 300.402 3.176 10 30 DGEERN CC(C)[C@H]1C[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000185020463 432457470 /nfs/dbraw/zinc/45/74/70/432457470.db2.gz SJMNRRGAHNEJSP-CABCVRRESA-N 0 0 309.331 3.465 10 30 DGEERN CC(C)[C@@H]1C[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000185020443 432457542 /nfs/dbraw/zinc/45/75/42/432457542.db2.gz SJMNRRGAHNEJSP-GJZGRUSLSA-N 0 0 309.331 3.465 10 30 DGEERN CCCCOc1cccc(CNC(=O)c2ccnc(C#N)c2)c1 ZINC000192743614 432409642 /nfs/dbraw/zinc/40/96/42/432409642.db2.gz NSMXWFZXCCAISP-UHFFFAOYSA-N 0 0 309.369 3.062 10 30 DGEERN CCC1(NC(=O)Nc2cc(C#N)ccc2OCCOC)CCC1 ZINC000184624261 432414804 /nfs/dbraw/zinc/41/48/04/432414804.db2.gz ZNZHZOPCZAVTFP-UHFFFAOYSA-N 0 0 317.389 3.038 10 30 DGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000256453537 432416169 /nfs/dbraw/zinc/41/61/69/432416169.db2.gz QHTAUDUBRNENFJ-DBSUQTKJSA-N 0 0 310.393 3.253 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)C#Cc3ccccc3)c2)no1 ZINC000176119339 432495131 /nfs/dbraw/zinc/49/51/31/432495131.db2.gz HOOYNSSMBXPVLM-UHFFFAOYSA-N 0 0 303.321 3.035 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)OCC)c1ccccc1F ZINC000185446646 432500458 /nfs/dbraw/zinc/50/04/58/432500458.db2.gz IGJLKCUPFKTDMB-ZDUSSCGKSA-N 0 0 307.365 3.324 10 30 DGEERN C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)[C@H]1c1cccc(F)c1 ZINC000176214926 432500653 /nfs/dbraw/zinc/50/06/53/432500653.db2.gz LLSGNKPYYVKRLA-SJKOYZFVSA-N 0 0 311.360 3.259 10 30 DGEERN N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccn1 ZINC000193253485 432461542 /nfs/dbraw/zinc/46/15/42/432461542.db2.gz LPCNKVUSONDORA-CYBMUJFWSA-N 0 0 306.300 3.101 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000185965336 432550353 /nfs/dbraw/zinc/55/03/53/432550353.db2.gz XTDPKDWZGWCTSM-LZWOXQAQSA-N 0 0 303.402 3.255 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000194443749 432551321 /nfs/dbraw/zinc/55/13/21/432551321.db2.gz AOHUYWCHAMZKIJ-MRXNPFEDSA-N 0 0 322.412 3.147 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC ZINC000185984179 432551727 /nfs/dbraw/zinc/55/17/27/432551727.db2.gz DWKFFQBEICZSST-CYBMUJFWSA-N 0 0 318.417 3.328 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000186011127 432553520 /nfs/dbraw/zinc/55/35/20/432553520.db2.gz RXGKLAMTKXWAGO-KGLIPLIRSA-N 0 0 319.401 3.018 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(CC(F)(F)F)CC1(C)C ZINC000185995052 432553565 /nfs/dbraw/zinc/55/35/65/432553565.db2.gz MKECFRCRXSOZOC-GFCCVEGCSA-N 0 0 306.372 3.074 10 30 DGEERN C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000194505702 432557114 /nfs/dbraw/zinc/55/71/14/432557114.db2.gz GXUPZVVWIOZHOG-BXKDBHETSA-N 0 0 312.291 3.188 10 30 DGEERN N#Cc1cc(Cl)ccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186146697 432561575 /nfs/dbraw/zinc/56/15/75/432561575.db2.gz KKOAQNMKUPFHRM-ZFWWWQNUSA-N 0 0 318.829 3.485 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000186542156 432605121 /nfs/dbraw/zinc/60/51/21/432605121.db2.gz MZGZOLLQQMBNKB-GFCCVEGCSA-N 0 0 316.323 3.240 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000273494403 432605522 /nfs/dbraw/zinc/60/55/22/432605522.db2.gz NYCDQPAEWQDLEC-LBPRGKRZSA-N 0 0 309.435 3.249 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186549986 432606885 /nfs/dbraw/zinc/60/68/85/432606885.db2.gz RVQXSNRQSJGQSC-MRXNPFEDSA-N 0 0 316.449 3.048 10 30 DGEERN C/C(=C\C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264046219 432607951 /nfs/dbraw/zinc/60/79/51/432607951.db2.gz UQAIJDZYSSHBER-WYMLVPIESA-N 0 0 310.397 3.284 10 30 DGEERN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C#N)cn2C)cc1 ZINC000177366418 432616562 /nfs/dbraw/zinc/61/65/62/432616562.db2.gz BKTDERGYSOYUJY-KRWDZBQOSA-N 0 0 307.397 3.053 10 30 DGEERN CCN(C(=O)c1cc(C#N)cn1C)[C@@H](C)Cc1ccsc1 ZINC000186286134 432577784 /nfs/dbraw/zinc/57/77/84/432577784.db2.gz HFYFVFJLKDRLTC-LBPRGKRZSA-N 0 0 301.415 3.052 10 30 DGEERN Cc1ccc(OCCN(C)C(=O)c2cccc(F)c2C#N)cc1 ZINC000186298251 432579151 /nfs/dbraw/zinc/57/91/51/432579151.db2.gz ZAOLLSRKLSCZRA-UHFFFAOYSA-N 0 0 312.344 3.157 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C#N)cs2)C12CCCC2 ZINC000177092543 432585168 /nfs/dbraw/zinc/58/51/68/432585168.db2.gz SMZOECJPNZCAFA-GJZGRUSLSA-N 0 0 318.442 3.430 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000186429181 432595113 /nfs/dbraw/zinc/59/51/13/432595113.db2.gz WBOYPMRWIPPBIV-WMLDXEAASA-N 0 0 320.408 3.293 10 30 DGEERN Cc1c(Cl)cnc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000273402497 432595361 /nfs/dbraw/zinc/59/53/61/432595361.db2.gz WKQDKDKWGCHEMZ-LLVKDONJSA-N 0 0 321.808 3.083 10 30 DGEERN C=C(C)CNC(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000156587180 432599596 /nfs/dbraw/zinc/59/95/96/432599596.db2.gz CUWVRJZPQCLTKT-UHFFFAOYSA-N 0 0 302.418 3.235 10 30 DGEERN Cc1ccc(NC(=O)N(CCC#N)Cc2cccnc2)s1 ZINC000177228054 432601171 /nfs/dbraw/zinc/60/11/71/432601171.db2.gz BODRHPODKLJYLT-UHFFFAOYSA-N 0 0 300.387 3.399 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186525669 432603963 /nfs/dbraw/zinc/60/39/63/432603963.db2.gz CZEVCFMEMSZGLF-ZDUSSCGKSA-N 0 0 311.476 3.217 10 30 DGEERN C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195329929 432619052 /nfs/dbraw/zinc/61/90/52/432619052.db2.gz HEHMKTFRZRNTJO-HNNXBMFYSA-N 0 0 321.490 3.056 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000186758449 432628362 /nfs/dbraw/zinc/62/83/62/432628362.db2.gz LMOJAVQPOWOZKY-SJORKVTESA-N 0 0 302.418 3.154 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000186836436 432634049 /nfs/dbraw/zinc/63/40/49/432634049.db2.gz NPHCJWLBVMDQMY-UHFFFAOYSA-N 0 0 317.392 3.496 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cc1F ZINC000177588874 432639259 /nfs/dbraw/zinc/63/92/59/432639259.db2.gz XDTBWDYAYBQBIL-UHFFFAOYSA-N 0 0 310.307 3.452 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000274314286 432650801 /nfs/dbraw/zinc/65/08/01/432650801.db2.gz YSZALEURGNUOCZ-CJNGLKHVSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)Nc2ccccc2OC)no1 ZINC000274359016 432657982 /nfs/dbraw/zinc/65/79/82/432657982.db2.gz VONITPJYTVUFRX-GFCCVEGCSA-N 0 0 315.373 3.329 10 30 DGEERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)c1O ZINC000177790619 432662360 /nfs/dbraw/zinc/66/23/60/432662360.db2.gz XFLIKXUSHBTZTN-CYBMUJFWSA-N 0 0 310.353 3.287 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000274398510 432662825 /nfs/dbraw/zinc/66/28/25/432662825.db2.gz PUZYBFZDBHUFJW-KBPBESRZSA-N 0 0 321.442 3.151 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000177826673 432664751 /nfs/dbraw/zinc/66/47/51/432664751.db2.gz GIVOBEXTWILKNW-WAVCKPEOSA-N 0 0 324.405 3.233 10 30 DGEERN C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000274428054 432665716 /nfs/dbraw/zinc/66/57/16/432665716.db2.gz AIEVAVZJBDUVIV-HUUCEWRRSA-N 0 0 301.386 3.034 10 30 DGEERN N#Cc1cc(F)ccc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000188133968 432708377 /nfs/dbraw/zinc/70/83/77/432708377.db2.gz CYWXEKBXPXBGSX-UHFFFAOYSA-N 0 0 301.346 3.363 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275496678 432726625 /nfs/dbraw/zinc/72/66/25/432726625.db2.gz QFISJFHRHVYWAP-WBMJQRKESA-N 0 0 306.362 3.001 10 30 DGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC000229275844 432721720 /nfs/dbraw/zinc/72/17/20/432721720.db2.gz AKEVBFYPSYDXLU-XHDPSFHLSA-N 0 0 324.833 3.165 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000188419314 432724346 /nfs/dbraw/zinc/72/43/46/432724346.db2.gz INKQRTJMAUROGV-BLLLJJGKSA-N 0 0 309.356 3.467 10 30 DGEERN C=CCCCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000274554019 432681102 /nfs/dbraw/zinc/68/11/02/432681102.db2.gz VOHMWKVYVFQTRP-UHFFFAOYSA-N 0 0 322.380 3.024 10 30 DGEERN C=CCSCCNC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000187747474 432681940 /nfs/dbraw/zinc/68/19/40/432681940.db2.gz YKSKCQJOQFNTMQ-UHFFFAOYSA-N 0 0 302.443 3.163 10 30 DGEERN C=CCN(CC=C)C(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000187787079 432684994 /nfs/dbraw/zinc/68/49/94/432684994.db2.gz HKMXGKXRUIZSMF-UHFFFAOYSA-N 0 0 311.429 3.413 10 30 DGEERN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000159577189 432688349 /nfs/dbraw/zinc/68/83/49/432688349.db2.gz YYSOEZTVGUFYME-YGRLFVJLSA-N 0 0 310.319 3.302 10 30 DGEERN CC(C)(CC1CCCCCC1)NS(=O)(=O)CCCC#N ZINC000188814806 432747616 /nfs/dbraw/zinc/74/76/16/432747616.db2.gz YDWIDNFKAYXCJU-UHFFFAOYSA-N 0 0 300.468 3.349 10 30 DGEERN C=CCC[C@H](C(=O)NCc1cccc(OC)n1)c1ccccc1 ZINC000188841622 432748471 /nfs/dbraw/zinc/74/84/71/432748471.db2.gz PHMDBBDZVXFWJY-KRWDZBQOSA-N 0 0 310.397 3.456 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC(n2cncn2)CC1)c1ccccc1 ZINC000188843592 432748873 /nfs/dbraw/zinc/74/88/73/432748873.db2.gz USYSAKKMDDUORV-SFHVURJKSA-N 0 0 324.428 3.192 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@](C)(C(=O)OCC)c1ccccc1 ZINC000188909462 432752459 /nfs/dbraw/zinc/75/24/59/432752459.db2.gz AVOYDRUUEYAMMN-HNAYVOBHSA-N 0 0 317.429 3.226 10 30 DGEERN COc1ccc2[nH]c(C(=O)N(C)Cc3ccc(C#N)cc3)cc2c1 ZINC000188938794 432753366 /nfs/dbraw/zinc/75/33/66/432753366.db2.gz LILBNCMBKRLGOH-UHFFFAOYSA-N 0 0 319.364 3.320 10 30 DGEERN C[C@H]1CCC[C@](C#N)(NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000189040399 432760982 /nfs/dbraw/zinc/76/09/82/432760982.db2.gz CGZXQQRTRZTRDG-UFBFGSQYSA-N 0 0 317.336 3.364 10 30 DGEERN CCCC[C@@H](NC(=O)C1(C#N)CCCC1)C(=O)OC(C)(C)C ZINC000161133575 432761220 /nfs/dbraw/zinc/76/12/20/432761220.db2.gz PMVHPMYLFKVESP-CYBMUJFWSA-N 0 0 308.422 3.087 10 30 DGEERN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167278 432763936 /nfs/dbraw/zinc/76/39/36/432763936.db2.gz IPIYOTDKTMVNIL-RISCZKNCSA-N 0 0 314.414 3.083 10 30 DGEERN COc1ccc(F)cc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189197108 432770172 /nfs/dbraw/zinc/77/01/72/432770172.db2.gz WQJKRZYZNQWFOI-UHFFFAOYSA-N 0 0 324.355 3.054 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000275604457 432734562 /nfs/dbraw/zinc/73/45/62/432734562.db2.gz LADRPJMLEMNLMZ-KRWDZBQOSA-N 0 0 307.390 3.180 10 30 DGEERN CCN(C(=O)c1cc(O)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000188740431 432744066 /nfs/dbraw/zinc/74/40/66/432744066.db2.gz JCMKNDGWXXGTIJ-ZDUSSCGKSA-N 0 0 324.380 3.496 10 30 DGEERN N#Cc1ccsc1NC(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000245395204 432827099 /nfs/dbraw/zinc/82/70/99/432827099.db2.gz HJMWGYFTRAJFIL-GXTWGEPZSA-N 0 0 303.431 3.213 10 30 DGEERN CCOC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)c(O)c1 ZINC000161700517 432793602 /nfs/dbraw/zinc/79/36/02/432793602.db2.gz UXPDXUVPPPCQHE-UHFFFAOYSA-N 0 0 324.336 3.001 10 30 DGEERN N#C[C@@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C1CC1 ZINC000161862121 432801238 /nfs/dbraw/zinc/80/12/38/432801238.db2.gz RITDYTIAVQRXRW-MSOLQXFVSA-N 0 0 306.365 3.225 10 30 DGEERN N#Cc1ccc(F)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000162028233 432808504 /nfs/dbraw/zinc/80/85/04/432808504.db2.gz YKIPQIGNDFMDQB-MRXNPFEDSA-N 0 0 302.374 3.332 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000189659779 432808732 /nfs/dbraw/zinc/80/87/32/432808732.db2.gz BBPACCBQQXEYJQ-PBHICJAKSA-N 0 0 302.418 3.469 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000162954202 432838855 /nfs/dbraw/zinc/83/88/55/432838855.db2.gz VYWYMXPURXHCLO-HNAYVOBHSA-N 0 0 320.392 3.469 10 30 DGEERN C=CCNc1ncc(C(=O)N2CC[C@H](CC(F)(F)F)C2)s1 ZINC000277595447 432863538 /nfs/dbraw/zinc/86/35/38/432863538.db2.gz WEWKGLMVFJWYTG-SECBINFHSA-N 0 0 319.352 3.156 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000277816923 432876976 /nfs/dbraw/zinc/87/69/76/432876976.db2.gz WUBLWTYDUAROAH-SFHVURJKSA-N 0 0 319.408 3.198 10 30 DGEERN CCc1nc(CNC(=O)c2coc(C3CCOCC3)n2)cs1 ZINC000329919170 432883761 /nfs/dbraw/zinc/88/37/61/432883761.db2.gz RMLOJHKHGBAOQN-UHFFFAOYSA-N 0 0 321.402 3.092 10 30 DGEERN CN(C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC000329986690 432886112 /nfs/dbraw/zinc/88/61/12/432886112.db2.gz SBMYEPBLDQVDIT-NWANDNLSSA-N 0 0 319.380 3.036 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCCc2c(O)cccc21 ZINC000330017220 432888769 /nfs/dbraw/zinc/88/87/69/432888769.db2.gz QSBQSKASIBEEOU-ZMSDIMECSA-N 0 0 301.386 3.336 10 30 DGEERN CC(C)(CNC(=O)C1CCS(=O)(=O)CC1)C1=CCCCC1 ZINC000330024199 432889237 /nfs/dbraw/zinc/88/92/37/432889237.db2.gz JPHRMMQANPIPGH-UHFFFAOYSA-N 0 0 313.463 3.294 10 30 DGEERN N#Cc1ccc(SCC(=O)Nc2ccncc2)c(Cl)c1 ZINC000163292328 432850068 /nfs/dbraw/zinc/85/00/68/432850068.db2.gz GUQSILJSIXYGLL-UHFFFAOYSA-N 0 0 303.774 3.337 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245645566 432852856 /nfs/dbraw/zinc/85/28/56/432852856.db2.gz FTXBHMTVCGSRTH-KGLIPLIRSA-N 0 0 317.424 3.102 10 30 DGEERN Cc1ccc(C#N)c(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 ZINC000245717266 432857836 /nfs/dbraw/zinc/85/78/36/432857836.db2.gz GUWNZVXIFFBAOI-CXAGYDPISA-N 0 0 311.360 3.367 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@@H](CC)c2nc(C)cs2)cc1 ZINC000296912903 432938990 /nfs/dbraw/zinc/93/89/90/432938990.db2.gz PCSMIIBFBFBYLX-HNNXBMFYSA-N 0 0 313.426 3.383 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000278726007 432899723 /nfs/dbraw/zinc/89/97/23/432899723.db2.gz HSZPYZHXIYLVQL-RVZJWNSFSA-N 0 0 311.381 3.075 10 30 DGEERN C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273581 432902480 /nfs/dbraw/zinc/90/24/80/432902480.db2.gz ZKHGQQPVASDMMY-JBCWJZNQSA-N 0 0 310.344 3.098 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000278828072 432905931 /nfs/dbraw/zinc/90/59/31/432905931.db2.gz QHPYOMJDCRUEBU-QZTJIDSGSA-N 0 0 315.413 3.079 10 30 DGEERN Cc1c(Cl)cc(F)c(NC(=O)N[C@H](CO)C(C)C)c1F ZINC000330557094 432917339 /nfs/dbraw/zinc/91/73/39/432917339.db2.gz ZZLBAZBALVJVHL-SNVBAGLBSA-N 0 0 306.740 3.269 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCSC[C@H]1C ZINC000289734293 432972563 /nfs/dbraw/zinc/97/25/63/432972563.db2.gz QDSGUFXFDFXULE-LLVKDONJSA-N 0 0 318.446 3.283 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(OCCOC)nc2)no1 ZINC000290045080 432983289 /nfs/dbraw/zinc/98/32/89/432983289.db2.gz JGLYLEJXGQAVRF-GFCCVEGCSA-N 0 0 303.362 3.227 10 30 DGEERN C=C(C)C[C@H](C)c1nc([C@H]2CC(=O)N(CC3CCC3)C2)no1 ZINC000290182862 433008877 /nfs/dbraw/zinc/00/88/77/433008877.db2.gz VPRZSDKVZRHKRG-JSGCOSHPSA-N 0 0 303.406 3.255 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCOC1(C)C ZINC000297938145 433033835 /nfs/dbraw/zinc/03/38/35/433033835.db2.gz WBBBUTFEKCRZCB-MRXNPFEDSA-N 0 0 302.418 3.342 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000280405290 433047010 /nfs/dbraw/zinc/04/70/10/433047010.db2.gz OLPXGQOWVMZPPT-DOTOQJQBSA-N 0 0 302.418 3.199 10 30 DGEERN C=CCC1(C(=O)N[C@@H](CC)CNc2ccccc2)CCOCC1 ZINC000425318925 433160475 /nfs/dbraw/zinc/16/04/75/433160475.db2.gz VMFPEZLAURWGTH-INIZCTEOSA-N 0 0 316.445 3.366 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](COC)CC1 ZINC000453423139 433175855 /nfs/dbraw/zinc/17/58/55/433175855.db2.gz BOOBQNKDMIPTFA-GJZGRUSLSA-N 0 0 306.454 3.231 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)c(OC)cc1C ZINC000280801019 433178878 /nfs/dbraw/zinc/17/88/78/433178878.db2.gz YKKLPOVQKYGFML-RHSMWYFYSA-N 0 0 318.417 3.415 10 30 DGEERN C=CCN(CC=C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000361447851 433179421 /nfs/dbraw/zinc/17/94/21/433179421.db2.gz SIIIYQSEZCWQBO-UHFFFAOYSA-N 0 0 314.263 3.428 10 30 DGEERN C=CCn1c(N(C)[C@@H](C)CCSC)nnc1[C@]1(C)CCCO1 ZINC000453441937 433186288 /nfs/dbraw/zinc/18/62/88/433186288.db2.gz OWKZBGCKDMPMMO-BBRMVZONSA-N 0 0 324.494 3.068 10 30 DGEERN C=CCn1c(N(CC)CC2CCC2)nnc1[C@@]1(C)CCCO1 ZINC000453439491 433187517 /nfs/dbraw/zinc/18/75/17/433187517.db2.gz LNGYHCDESOAEEQ-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N2Cc3ccccc3C2)nnc1[C@@]1(C)CCCO1 ZINC000453458782 433197754 /nfs/dbraw/zinc/19/77/54/433197754.db2.gz ARZLMCLUCRGAGX-LJQANCHMSA-N 0 0 324.428 3.400 10 30 DGEERN C=C(C)Cn1c(N(CC)CC2CC2)nnc1[C@]1(C)CCCO1 ZINC000453465887 433200408 /nfs/dbraw/zinc/20/04/08/433200408.db2.gz NKGJWLVYMGLRTO-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N2CCC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465904 433200944 /nfs/dbraw/zinc/20/09/44/433200944.db2.gz NLBKENRQDGTWHC-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000374478980 433200926 /nfs/dbraw/zinc/20/09/26/433200926.db2.gz DZPKWOHXOJIMET-ZWKOTPCHSA-N 0 0 314.429 3.372 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000280866378 433202370 /nfs/dbraw/zinc/20/23/70/433202370.db2.gz ZOPGHFMRDRMQJV-ZUZCIYMTSA-N 0 0 310.325 3.136 10 30 DGEERN C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2ccc(F)cc2)C1=O ZINC000337194556 433216136 /nfs/dbraw/zinc/21/61/36/433216136.db2.gz VKOQCXYDBBYYKN-IRXDYDNUSA-N 0 0 302.393 3.140 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000425595328 433314824 /nfs/dbraw/zinc/31/48/24/433314824.db2.gz ZTHSHVMOBSHBBK-KSZLIROESA-N 0 0 314.429 3.433 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000281215750 433271387 /nfs/dbraw/zinc/27/13/87/433271387.db2.gz USKJLXYKPYBXNA-HNNXBMFYSA-N 0 0 302.418 3.372 10 30 DGEERN C=CCC[C@@H](CO)Nc1nccc2cc(Br)ccc21 ZINC000413315324 433273459 /nfs/dbraw/zinc/27/34/59/433273459.db2.gz JXBIDAIOCQOQPI-ZDUSSCGKSA-N 0 0 321.218 3.736 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000338105859 433275291 /nfs/dbraw/zinc/27/52/91/433275291.db2.gz UWYHLGUFISWSAD-AWEZNQCLSA-N 0 0 313.401 3.613 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338123275 433277826 /nfs/dbraw/zinc/27/78/26/433277826.db2.gz VUPVQKGJPPQAKT-SWLSCSKDSA-N 0 0 306.381 3.476 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](CC)CC=C)C1 ZINC000298965241 433284564 /nfs/dbraw/zinc/28/45/64/433284564.db2.gz OLFIRAFEHHIRCU-ZYGGUILKSA-N 0 0 320.477 3.345 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C)ccc1C ZINC000425563563 433301067 /nfs/dbraw/zinc/30/10/67/433301067.db2.gz JIOLXFYXITWDKS-RDJZCZTQSA-N 0 0 302.418 3.036 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCc1cccs1 ZINC000425563577 433303068 /nfs/dbraw/zinc/30/30/68/433303068.db2.gz JJUOLWCWYOAMPG-HOCLYGCPSA-N 0 0 322.474 3.303 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccsc1 ZINC000425572010 433305387 /nfs/dbraw/zinc/30/53/87/433305387.db2.gz IRSBFLDAAVYGSE-QEJZJMRPSA-N 0 0 306.431 3.186 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000281530218 433310906 /nfs/dbraw/zinc/31/09/06/433310906.db2.gz YMFVZNOGJWFNOF-INIZCTEOSA-N 0 0 312.417 3.368 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(Cc1ccc(C)s1)C(C)C ZINC000299241169 433354264 /nfs/dbraw/zinc/35/42/64/433354264.db2.gz YKMDFNVTXRWRMJ-UHFFFAOYSA-N 0 0 322.474 3.218 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sccc2[C@H]1CC ZINC000425855388 433361746 /nfs/dbraw/zinc/36/17/46/433361746.db2.gz MDEJKAHNYGPOGK-CFVMTHIKSA-N 0 0 320.458 3.358 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000425851001 433362819 /nfs/dbraw/zinc/36/28/19/433362819.db2.gz HDNFTEKPAXJBFK-YOEHRIQHSA-N 0 0 318.417 3.325 10 30 DGEERN C=CCCS(=O)(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000291847469 433372718 /nfs/dbraw/zinc/37/27/18/433372718.db2.gz HMIJHYNHQAFDBC-JTQLQIEISA-N 0 0 305.852 3.274 10 30 DGEERN CC(C)(CCC#N)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361663081 433327903 /nfs/dbraw/zinc/32/79/03/433327903.db2.gz SOTLHOLFYPLNPC-KRWDZBQOSA-N 0 0 302.418 3.096 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000447972578 433339492 /nfs/dbraw/zinc/33/94/92/433339492.db2.gz RXWLFCZTITZOFL-UHFFFAOYSA-N 0 0 316.323 3.393 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1OC ZINC000413993385 433340608 /nfs/dbraw/zinc/34/06/08/433340608.db2.gz ZIENSYZMEPTRDC-SQNIBIBYSA-N 0 0 301.430 3.495 10 30 DGEERN C=CCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000447989643 433341564 /nfs/dbraw/zinc/34/15/64/433341564.db2.gz ITLDPZICBLQWBQ-HOTGVXAUSA-N 0 0 321.852 3.351 10 30 DGEERN N#CC1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000361766711 433380846 /nfs/dbraw/zinc/38/08/46/433380846.db2.gz ASSGBHWQNINPTI-UHFFFAOYSA-N 0 0 310.319 3.400 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(CC)C[C@@H]1CCCO1 ZINC000351159441 433395047 /nfs/dbraw/zinc/39/50/47/433395047.db2.gz DONFBHQJDFSWJY-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C[C@H](COc1ccc(F)cc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301117797 433420234 /nfs/dbraw/zinc/42/02/34/433420234.db2.gz WFIKOFGWCRVSSZ-LLVKDONJSA-N 0 0 315.304 3.485 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000454422191 433421045 /nfs/dbraw/zinc/42/10/45/433421045.db2.gz FZAFHLQEVHGVFI-MNOVXSKESA-N 0 0 310.385 3.278 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000454426638 433421380 /nfs/dbraw/zinc/42/13/80/433421380.db2.gz JKMJGYFQIGZTSV-OAHLLOKOSA-N 0 0 308.422 3.422 10 30 DGEERN C#Cc1ccccc1CC(=O)NC1(c2nc(C)cs2)CCC1 ZINC000292062818 433447018 /nfs/dbraw/zinc/44/70/18/433447018.db2.gz OBTCRYDYQHOBKV-UHFFFAOYSA-N 0 0 310.422 3.171 10 30 DGEERN C[C@@H](Nc1cccc(F)c1C#N)C(=O)N1CCc2ccccc21 ZINC000301188712 433448433 /nfs/dbraw/zinc/44/84/33/433448433.db2.gz QQGLZIOLHXUHFT-GFCCVEGCSA-N 0 0 309.344 3.087 10 30 DGEERN N#Cc1nccnc1N[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000301193446 433449040 /nfs/dbraw/zinc/44/90/40/433449040.db2.gz SOIKUWIGVZZSMD-RYUDHWBXSA-N 0 0 315.174 3.079 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000426259443 433451212 /nfs/dbraw/zinc/45/12/12/433451212.db2.gz ZLVXAGRUBQMXGN-OLZOCXBDSA-N 0 0 303.362 3.406 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@@H](O)CC(C)(C)C)cc1 ZINC000292098607 433459834 /nfs/dbraw/zinc/45/98/34/433459834.db2.gz ZCKWTAFCDSMCDV-OAHLLOKOSA-N 0 0 305.418 3.055 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@H](O)CC(C)(C)C)cc1 ZINC000292098603 433459920 /nfs/dbraw/zinc/45/99/20/433459920.db2.gz ZCKWTAFCDSMCDV-HNNXBMFYSA-N 0 0 305.418 3.055 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC000421267212 433467592 /nfs/dbraw/zinc/46/75/92/433467592.db2.gz VWVMWRYSEDZKCX-GJZGRUSLSA-N 0 0 316.405 3.118 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000448652668 433474690 /nfs/dbraw/zinc/47/46/90/433474690.db2.gz YWZPORNYKGLSKV-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000448662558 433479950 /nfs/dbraw/zinc/47/99/50/433479950.db2.gz CCAVQCXRDOVNOL-UHFFFAOYSA-N 0 0 313.788 3.355 10 30 DGEERN CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1cccc(Cl)c1 ZINC000448663031 433481578 /nfs/dbraw/zinc/48/15/78/433481578.db2.gz FIBAXNONFCATPT-CQSZACIVSA-N 0 0 301.777 3.431 10 30 DGEERN Cc1ccc([C@@](C)(O)CNc2c(C#N)cnc3ccccc32)o1 ZINC000301408655 433541086 /nfs/dbraw/zinc/54/10/86/433541086.db2.gz IOJXPIATHFRIST-SFHVURJKSA-N 0 0 307.353 3.328 10 30 DGEERN N#Cc1cc(NC[C@@H](O)c2ccc(F)cc2)c2ccccc2n1 ZINC000301377638 433528744 /nfs/dbraw/zinc/52/87/44/433528744.db2.gz YHTPUZVUHAETFT-GOSISDBHSA-N 0 0 307.328 3.391 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1nn(C)c(C)c1Cl ZINC000421353868 433496986 /nfs/dbraw/zinc/49/69/86/433496986.db2.gz GMUZAPOYUZABEE-UHFFFAOYSA-N 0 0 323.824 3.046 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O ZINC000414369608 433577622 /nfs/dbraw/zinc/57/76/22/433577622.db2.gz UUPDFIYBPBFZAQ-AWEZNQCLSA-N 0 0 301.390 3.061 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1nnn(C(C)C)c1C ZINC000292574754 433579997 /nfs/dbraw/zinc/57/99/97/433579997.db2.gz TXWJYVKVMHQOJO-UHFFFAOYSA-N 0 0 316.380 3.135 10 30 DGEERN CO[C@@H](C)c1nc(CN(C)c2ccc(Cl)c(C#N)n2)cs1 ZINC000301519226 433590652 /nfs/dbraw/zinc/59/06/52/433590652.db2.gz CRRMXGRLLMVYDI-VIFPVBQESA-N 0 0 322.821 3.407 10 30 DGEERN C=C(C)COc1cc(C[N@@H+]2CCC23CCOCC3)ccc1OC ZINC000375733215 433545713 /nfs/dbraw/zinc/54/57/13/433545713.db2.gz RPESRCCVRJPINS-UHFFFAOYSA-N 0 0 317.429 3.405 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000362297178 433629841 /nfs/dbraw/zinc/62/98/41/433629841.db2.gz MAZBLPUMPHKTTD-CYBMUJFWSA-N 0 0 321.417 3.321 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@@H](C3CCC3)C2)cc1OC ZINC000414469978 433634313 /nfs/dbraw/zinc/63/43/13/433634313.db2.gz HNMUYVSMDDTGLA-LJQANCHMSA-N 0 0 317.429 3.261 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@H](C3CCC3)C2)cc1OC ZINC000414469977 433635868 /nfs/dbraw/zinc/63/58/68/433635868.db2.gz HNMUYVSMDDTGLA-IBGZPJMESA-N 0 0 317.429 3.261 10 30 DGEERN C#CCOc1ccc(CCNc2c(F)c(F)nc(F)c2F)cc1 ZINC000301615078 433636577 /nfs/dbraw/zinc/63/65/77/433636577.db2.gz UWNRTBBKHNJFMS-UHFFFAOYSA-N 0 0 324.277 3.305 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000342373604 433646933 /nfs/dbraw/zinc/64/69/33/433646933.db2.gz MOVUAWKKSWMUQI-NOZJJQNGSA-N 0 0 305.765 3.136 10 30 DGEERN CO[C@H](C)c1nc(CN(C)c2ccc(F)cc2C#N)cs1 ZINC000301525906 433595113 /nfs/dbraw/zinc/59/51/13/433595113.db2.gz FYEVECGNDCOPLW-SNVBAGLBSA-N 0 0 305.378 3.498 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000448889277 433597718 /nfs/dbraw/zinc/59/77/18/433597718.db2.gz YDVRUVIHWYJWBV-MRXNPFEDSA-N 0 0 307.397 3.307 10 30 DGEERN N#Cc1cc(NC[C@H](O)c2ccccc2F)c2ccccc2n1 ZINC000301535722 433598787 /nfs/dbraw/zinc/59/87/87/433598787.db2.gz QRGWKEIMLQNSHU-SFHVURJKSA-N 0 0 307.328 3.391 10 30 DGEERN C=C(Br)CN[C@@H](c1nccs1)C(F)(F)F ZINC000292950506 433604512 /nfs/dbraw/zinc/60/45/12/433604512.db2.gz KMTZDXZZOKPEOQ-LURJTMIESA-N 0 0 301.131 3.245 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000282441284 433610385 /nfs/dbraw/zinc/61/03/85/433610385.db2.gz ZLIRCAPLGDRZSA-AWEZNQCLSA-N 0 0 302.809 3.420 10 30 DGEERN C=C(Cl)CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000376164009 433682715 /nfs/dbraw/zinc/68/27/15/433682715.db2.gz CVKKVBHZTHHCFT-CQSZACIVSA-N 0 0 321.852 3.362 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCOCC2(CC2)C1 ZINC000362402046 433696955 /nfs/dbraw/zinc/69/69/55/433696955.db2.gz KJPUGJNRPLVBRR-UHFFFAOYSA-N 0 0 303.427 3.217 10 30 DGEERN C[C@@H](O)[C@@H]1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000301755132 433706790 /nfs/dbraw/zinc/70/67/90/433706790.db2.gz CXEFLFIXRFOJSA-VXGBXAGGSA-N 0 0 315.804 3.357 10 30 DGEERN N#Cc1cnccc1N1CCC(OCc2ccccc2F)CC1 ZINC000372337717 293236645 /nfs/dbraw/zinc/23/66/45/293236645.db2.gz NYLXKCYAYUZTSU-UHFFFAOYSA-N 0 0 311.360 3.278 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)CCC ZINC000356812590 433713566 /nfs/dbraw/zinc/71/35/66/433713566.db2.gz CLUVEXARODKCBN-UHFFFAOYSA-N 0 0 302.418 3.393 10 30 DGEERN C=CCC1(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CCCC1 ZINC000449063199 433719409 /nfs/dbraw/zinc/71/94/09/433719409.db2.gz LTZPWPJTAGPDMC-UHFFFAOYSA-N 0 0 318.392 3.359 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000362491213 433730595 /nfs/dbraw/zinc/73/05/95/433730595.db2.gz DKDKCXOTRMJDRC-GFCCVEGCSA-N 0 0 304.415 3.456 10 30 DGEERN COc1cccc([C@H]2C[C@H](O)CN2c2cccc(F)c2C#N)c1 ZINC000283517325 433739599 /nfs/dbraw/zinc/73/95/99/433739599.db2.gz MVPQYGHHMWBORL-SCLBCKFNSA-N 0 0 312.344 3.018 10 30 DGEERN N#Cc1cc(N(CCO)Cc2ccsc2)c2ccccc2n1 ZINC000301820646 433741376 /nfs/dbraw/zinc/74/13/76/433741376.db2.gz BBCTUUZWEUSQDQ-UHFFFAOYSA-N 0 0 309.394 3.167 10 30 DGEERN Cc1c(CNc2cc(C#N)c3cc(Cl)ccc3n2)cnn1C ZINC000301825390 433743532 /nfs/dbraw/zinc/74/35/32/433743532.db2.gz DRLQRXKBONECQW-UHFFFAOYSA-N 0 0 311.776 3.414 10 30 DGEERN CCc1nnc(NCc2nc(C)sc2C)c(C#N)c1CC ZINC000301836301 433751015 /nfs/dbraw/zinc/75/10/15/433751015.db2.gz LWATWOPEBVWWOM-UHFFFAOYSA-N 0 0 301.419 3.159 10 30 DGEERN Cc1csc(NC2CCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000376487372 433751469 /nfs/dbraw/zinc/75/14/69/433751469.db2.gz VTDQFPVFYBHHBB-UHFFFAOYSA-N 0 0 313.430 3.108 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000362546298 433751666 /nfs/dbraw/zinc/75/16/66/433751666.db2.gz XDHFDKTVZNOHOQ-CYDGBPFRSA-N 0 0 305.340 3.157 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000376539182 433765670 /nfs/dbraw/zinc/76/56/70/433765670.db2.gz HJTVIVGNVQMSBU-MSOLQXFVSA-N 0 0 322.408 3.413 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000456673486 433768491 /nfs/dbraw/zinc/76/84/91/433768491.db2.gz TXIOZZRKBZUNDS-FZKCQIBNSA-N 0 0 319.449 3.099 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000456673487 433770487 /nfs/dbraw/zinc/77/04/87/433770487.db2.gz TXIOZZRKBZUNDS-JJXSEGSLSA-N 0 0 319.449 3.099 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362451424 433723142 /nfs/dbraw/zinc/72/31/42/433723142.db2.gz LQXBKQCFNBYGOI-JKSUJKDBSA-N 0 0 304.434 3.477 10 30 DGEERN CCc1nnc(NCc2nc3c(cccc3C)[nH]2)c(C#N)c1CC ZINC000301887155 433779257 /nfs/dbraw/zinc/77/92/57/433779257.db2.gz MPVMINQTFJULPF-UHFFFAOYSA-N 0 0 320.400 3.270 10 30 DGEERN CC#CC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283825594 433785148 /nfs/dbraw/zinc/78/51/48/433785148.db2.gz UFKUYWPQTUZHHZ-DOTOQJQBSA-N 0 0 322.811 3.142 10 30 DGEERN C=CC[C@@H](CO)Nc1ccnc2c(Br)cccc12 ZINC000302134450 433810768 /nfs/dbraw/zinc/81/07/68/433810768.db2.gz LUMHEDFRRCYBBK-JTQLQIEISA-N 0 0 307.191 3.346 10 30 DGEERN C=C[C@@H](C)NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000362658535 433812009 /nfs/dbraw/zinc/81/20/09/433812009.db2.gz OAQFSYAMPZUWFX-GFCCVEGCSA-N 0 0 315.348 3.387 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000376848413 433830402 /nfs/dbraw/zinc/83/04/02/433830402.db2.gz VQQPKLFIFYCOMF-ZDUSSCGKSA-N 0 0 322.191 3.206 10 30 DGEERN C=C(CC)CNC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000456815978 433839448 /nfs/dbraw/zinc/83/94/48/433839448.db2.gz ZYKYTHLLWADAMH-QGZVFWFLSA-N 0 0 303.402 3.006 10 30 DGEERN C=C(CC)CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000456812141 433839785 /nfs/dbraw/zinc/83/97/85/433839785.db2.gz MBOXACPIUZVBRG-UHFFFAOYSA-N 0 0 318.161 3.352 10 30 DGEERN C=C(CC)CNC(=O)Cc1cc(Br)ccc1OC ZINC000456815248 433840137 /nfs/dbraw/zinc/84/01/37/433840137.db2.gz XFUOTOUKTLHKOQ-UHFFFAOYSA-N 0 0 312.207 3.083 10 30 DGEERN C=C(CC)CNC(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000456815680 433840343 /nfs/dbraw/zinc/84/03/43/433840343.db2.gz YVMJZQYMQSFHRV-UHFFFAOYSA-N 0 0 309.793 3.394 10 30 DGEERN N#Cc1nc(NCCCOC2CCCCC2)ccc1[N+](=O)[O-] ZINC000302723208 433840522 /nfs/dbraw/zinc/84/05/22/433840522.db2.gz MIOZBOVNDJHHIZ-UHFFFAOYSA-N 0 0 304.350 3.013 10 30 DGEERN Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C#N)n1C ZINC000449875766 433847312 /nfs/dbraw/zinc/84/73/12/433847312.db2.gz ZUHOISLASCSJLJ-MRXNPFEDSA-N 0 0 307.397 3.053 10 30 DGEERN N#Cc1nc(N2CCC[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000302754960 433852291 /nfs/dbraw/zinc/85/22/91/433852291.db2.gz WKKFJZNYEGAELS-LBPRGKRZSA-N 0 0 300.343 3.264 10 30 DGEERN CC(=Cc1nc(C#N)cs1)c1nc(=O)c2ccsc2[nH]1 ZINC000357075833 433857821 /nfs/dbraw/zinc/85/78/21/433857821.db2.gz ONNDQOGLWNMTBB-QPJJXVBHSA-N 0 0 300.368 3.286 10 30 DGEERN COc1cccc([C@H]2CN(c3c(C#N)cccc3C#N)CCO2)c1 ZINC000302911328 433906548 /nfs/dbraw/zinc/90/65/48/433906548.db2.gz ZOSHYUXPSYSBMM-GOSISDBHSA-N 0 0 319.364 3.016 10 30 DGEERN C=CCn1c2ccccc2nc1SC[C@@H](O)COC(C)C ZINC000302958729 433909441 /nfs/dbraw/zinc/90/94/41/433909441.db2.gz GIJWHKLWDPNXRX-ZDUSSCGKSA-N 0 0 306.431 3.100 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1 ZINC000285246660 433925243 /nfs/dbraw/zinc/92/52/43/433925243.db2.gz GZDDZSQWRJLXGY-LJQANCHMSA-N 0 0 306.409 3.463 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000450013363 433925391 /nfs/dbraw/zinc/92/53/91/433925391.db2.gz XFTLOKSVWICFOB-ILEACXBISA-N 0 0 321.461 3.164 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@H](COC)CC2)cc1 ZINC000457049748 433954624 /nfs/dbraw/zinc/95/46/24/433954624.db2.gz VFJVXOHZFVGECW-HNNXBMFYSA-N 0 0 303.402 3.140 10 30 DGEERN C=CCC1(C(=O)NCC[C@@H]2COc3ccccc3O2)CCCC1 ZINC000450143298 433992941 /nfs/dbraw/zinc/99/29/41/433992941.db2.gz DJTBQZAWAQWJDZ-OAHLLOKOSA-N 0 0 315.413 3.469 10 30 DGEERN N#Cc1cc(Cl)cc(Br)c1N[C@@H]1CCOC1 ZINC000390758738 293824712 /nfs/dbraw/zinc/82/47/12/293824712.db2.gz KKADAWAGPGAJIH-SECBINFHSA-N 0 0 301.571 3.175 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC000294192083 434036585 /nfs/dbraw/zinc/03/65/85/434036585.db2.gz KLPBNMVMEBWOCK-WFASDCNBSA-N 0 0 309.793 3.060 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(C(=O)C1(C#N)CCCCC1)CC2 ZINC000363444068 434057304 /nfs/dbraw/zinc/05/73/04/434057304.db2.gz MCBKZUKINYZXKC-UHFFFAOYSA-N 0 0 324.424 3.290 10 30 DGEERN N#Cc1ccnc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000285990097 434126215 /nfs/dbraw/zinc/12/62/15/434126215.db2.gz CRBKAHKJBHCGFT-YQVWRLOYSA-N 0 0 317.392 3.362 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1OC ZINC000286023856 434139552 /nfs/dbraw/zinc/13/95/52/434139552.db2.gz ZUAXXHAAEKAHHR-LJQANCHMSA-N 0 0 321.420 3.379 10 30 DGEERN C=CCOc1ccccc1CNc1cccc(S(C)(=O)=O)c1 ZINC000314497871 434144611 /nfs/dbraw/zinc/14/46/11/434144611.db2.gz SORIXVDBTSKWRA-UHFFFAOYSA-N 0 0 317.410 3.267 10 30 DGEERN N#CC1(c2ccc(C(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000294863133 434149843 /nfs/dbraw/zinc/14/98/43/434149843.db2.gz OBCNBMZXLUHSDI-FXAWDEMLSA-N 0 0 322.408 3.025 10 30 DGEERN CC1(C)CC[C@@H](CNc2ncc(Br)cc2C#N)O1 ZINC000450451947 434193960 /nfs/dbraw/zinc/19/39/60/434193960.db2.gz KUMUPIKAYFNZFY-NSHDSACASA-N 0 0 310.195 3.085 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(Br)co1 ZINC000457508005 434211843 /nfs/dbraw/zinc/21/18/43/434211843.db2.gz ITLGNPANYZRVSF-UHFFFAOYSA-N 0 0 312.085 3.233 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)CCC1 ZINC000364253376 434264952 /nfs/dbraw/zinc/26/49/52/434264952.db2.gz FMXLSWJCMWRFTQ-OAHLLOKOSA-N 0 0 301.434 3.184 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000364375197 434270305 /nfs/dbraw/zinc/27/03/05/434270305.db2.gz OMDRIYKDARFWJJ-SJORKVTESA-N 0 0 316.420 3.434 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[nH]c2cc(F)ccc21 ZINC000437498499 434271905 /nfs/dbraw/zinc/27/19/05/434271905.db2.gz NZASDGOHHRPOIY-MEDUHNTESA-N 0 0 302.349 3.018 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cccc2c1O[C@@H](C)C2 ZINC000450489566 434222874 /nfs/dbraw/zinc/22/28/74/434222874.db2.gz QQSUVOYNACLWMR-AWEZNQCLSA-N 0 0 311.381 3.474 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)noc1C(C)C ZINC000286646779 434283413 /nfs/dbraw/zinc/28/34/13/434283413.db2.gz DMFPJNKRXOCQEB-MRXNPFEDSA-N 0 0 310.397 3.471 10 30 DGEERN C#CCC1(C(=O)Nc2cccc3c2OCC[C@H]3O)CCCCC1 ZINC000365067081 434287382 /nfs/dbraw/zinc/28/73/82/434287382.db2.gz BINUWDCTTGEJAE-MRXNPFEDSA-N 0 0 313.397 3.415 10 30 DGEERN C=C[C@@H](CC(=O)N1CCOC[C@@H]1CC(F)F)c1ccccc1 ZINC000286760430 434289991 /nfs/dbraw/zinc/28/99/91/434289991.db2.gz PMLHHFVVTFKFDK-ZFWWWQNUSA-N 0 0 309.356 3.229 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000286869457 434293719 /nfs/dbraw/zinc/29/37/19/434293719.db2.gz DCFCFPQBZQMWGM-CVEARBPZSA-N 0 0 320.383 3.356 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@@H]1C(C)C)CCC2 ZINC000328660288 434297764 /nfs/dbraw/zinc/29/77/64/434297764.db2.gz VDJULHFTPUZLMP-JKSUJKDBSA-N 0 0 318.465 3.493 10 30 DGEERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328699224 434302413 /nfs/dbraw/zinc/30/24/13/434302413.db2.gz MDNNRBNWYQXURJ-TWMKSMIVSA-N 0 0 318.465 3.444 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC000287225964 434310675 /nfs/dbraw/zinc/31/06/75/434310675.db2.gz JAOGSBRZLINSHS-QGZVFWFLSA-N 0 0 309.413 3.003 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC000437521644 434277704 /nfs/dbraw/zinc/27/77/04/434277704.db2.gz CKKAABXISFDOEN-SJCJKPOMSA-N 0 0 316.376 3.028 10 30 DGEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCC2(CC2)CC1 ZINC000329134507 434363655 /nfs/dbraw/zinc/36/36/55/434363655.db2.gz QDYVKOYNTVSTOL-ZIAGYGMSSA-N 0 0 303.406 3.177 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCCc1nccs1 ZINC000287453891 434364424 /nfs/dbraw/zinc/36/44/24/434364424.db2.gz RSYFJYBDKGFZGM-INIZCTEOSA-N 0 0 312.438 3.217 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCSCC[C@H]1C ZINC000287471494 434368594 /nfs/dbraw/zinc/36/85/94/434368594.db2.gz RUGTUQIIKVVGFB-NVXWUHKLSA-N 0 0 316.470 3.158 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000437993794 434379891 /nfs/dbraw/zinc/37/98/91/434379891.db2.gz OGZCLTNOTZLANF-GDBMZVCRSA-N 0 0 308.466 3.435 10 30 DGEERN CCO[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C ZINC000450742252 434380383 /nfs/dbraw/zinc/38/03/83/434380383.db2.gz ANXRFSYXHAZJIU-CMPLNLGQSA-N 0 0 313.323 3.223 10 30 DGEERN [O-]C(=[NH+][C@@H]1CCC[C@@H]1c1ccccc1)N1CCc2cncnc2C1 ZINC000329274419 434381748 /nfs/dbraw/zinc/38/17/48/434381748.db2.gz JKKOPNXNNCJVGF-IAGOWNOFSA-N 0 0 322.412 3.085 10 30 DGEERN C[C@@H]1CC[C@]2(CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342599 434392048 /nfs/dbraw/zinc/39/20/48/434392048.db2.gz OOLWVZVKEYFOPM-ZTNFWEORSA-N 0 0 321.424 3.279 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 ZINC000417430513 434389763 /nfs/dbraw/zinc/38/97/63/434389763.db2.gz JQFXFMQQHFVCGY-CYBMUJFWSA-N 0 0 304.390 3.393 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCCCCC1)C2 ZINC000329311822 434390395 /nfs/dbraw/zinc/39/03/95/434390395.db2.gz ZTSDDGLERCPLBV-AWEZNQCLSA-N 0 0 318.465 3.285 10 30 DGEERN O=C(NC[C@@H]1CCCn2ccnc21)N1CCCc2ccccc2C1 ZINC000329010960 434346635 /nfs/dbraw/zinc/34/66/35/434346635.db2.gz DMUWKKMRBNGAOO-INIZCTEOSA-N 0 0 324.428 3.123 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCOC(C)C ZINC000287390976 434350060 /nfs/dbraw/zinc/35/00/60/434350060.db2.gz NLWVQEKXWFQFFI-SFHVURJKSA-N 0 0 316.445 3.078 10 30 DGEERN C=CCN(CC=C)c1nnc(CCC(C)C)n1C[C@H]1CCCO1 ZINC000359460449 434417904 /nfs/dbraw/zinc/41/79/04/434417904.db2.gz CRPRXIVIEJLHJT-MRXNPFEDSA-N 0 0 318.465 3.224 10 30 DGEERN C#Cc1ccc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 ZINC000295596469 434420456 /nfs/dbraw/zinc/42/04/56/434420456.db2.gz WUTVSDPJDFXRNN-UHFFFAOYSA-N 0 0 307.349 3.018 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438144724 434422536 /nfs/dbraw/zinc/42/25/36/434422536.db2.gz MRWVGSIRBJORGK-CFAJVAMVSA-N 0 0 303.402 3.037 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162771825 294819030 /nfs/dbraw/zinc/81/90/30/294819030.db2.gz OPHWIIQYDRWEQI-CABZTGNLSA-N 0 0 324.178 3.139 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000295642349 434426620 /nfs/dbraw/zinc/42/66/20/434426620.db2.gz YJTSVFIFOYWBDR-ZFWWWQNUSA-N 0 0 314.385 3.072 10 30 DGEERN C[C@@H]1CCN(C(=O)NCC2(CC#N)CC2)[C@@H](c2ccco2)C1 ZINC000366761565 434504908 /nfs/dbraw/zinc/50/49/08/434504908.db2.gz FBUUBRZJJCFVLB-ZIAGYGMSSA-N 0 0 301.390 3.456 10 30 DGEERN C=CCc1cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000438362152 434468208 /nfs/dbraw/zinc/46/82/08/434468208.db2.gz WTPGECSCODSJGN-MELADBBJSA-N 0 0 305.418 3.127 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Br)ccc1F ZINC000417623871 434471907 /nfs/dbraw/zinc/47/19/07/434471907.db2.gz JOSXFGCOUWBBDN-LLVKDONJSA-N 0 0 316.170 3.097 10 30 DGEERN CC(C)C(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000438390158 434474995 /nfs/dbraw/zinc/47/49/95/434474995.db2.gz GWGUALJKDQEUAT-QGZVFWFLSA-N 0 0 310.438 3.046 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000417629071 434477589 /nfs/dbraw/zinc/47/75/89/434477589.db2.gz RMTDCGIGOSSBLN-GFCCVEGCSA-N 0 0 317.307 3.137 10 30 DGEERN C=CCCCCNC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000366734737 434495427 /nfs/dbraw/zinc/49/54/27/434495427.db2.gz LBVQZBHMMOPWBC-UHFFFAOYSA-N 0 0 306.410 3.060 10 30 DGEERN C=CCCCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000366735313 434499590 /nfs/dbraw/zinc/49/95/90/434499590.db2.gz MRKXFRHNIWUIIS-UHFFFAOYSA-N 0 0 314.429 3.011 10 30 DGEERN Cc1ccc(CNC(=O)N2CCO[C@@H](C3CCCCC3)C2)cn1 ZINC000329658249 434451373 /nfs/dbraw/zinc/45/13/73/434451373.db2.gz HDSPFVKZLBMPCM-QGZVFWFLSA-N 0 0 317.433 3.085 10 30 DGEERN C=CCOc1cccnc1C(=O)NC1CCC(C(F)F)CC1 ZINC000458177163 434512105 /nfs/dbraw/zinc/51/21/05/434512105.db2.gz GTQZZJBFVKWARH-UHFFFAOYSA-N 0 0 310.344 3.200 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC2(C1)Oc1ccccc1O2 ZINC000341061758 434521171 /nfs/dbraw/zinc/52/11/71/434521171.db2.gz AABMLZPXAQMZQK-UHFFFAOYSA-N 0 0 320.348 3.139 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN[C@H](c2ccccc2Cl)C1 ZINC000366926467 434531687 /nfs/dbraw/zinc/53/16/87/434531687.db2.gz QVEIXIDYGMRLAL-BBRMVZONSA-N 0 0 306.837 3.415 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000408004514 434535194 /nfs/dbraw/zinc/53/51/94/434535194.db2.gz MIMYDBFMUAGAOH-XQAQDONZSA-N 0 0 318.804 3.232 10 30 DGEERN C#Cc1ccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000367355275 434545656 /nfs/dbraw/zinc/54/56/56/434545656.db2.gz BCGJSAMKMPLKJL-OAHLLOKOSA-N 0 0 302.381 3.099 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000458612658 434548288 /nfs/dbraw/zinc/54/82/88/434548288.db2.gz GCQWJUXLVXUYBU-YLFCFFPRSA-N 0 0 308.466 3.456 10 30 DGEERN CC(C)(C)[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@H]1O ZINC000408195373 434550189 /nfs/dbraw/zinc/55/01/89/434550189.db2.gz OJPCXISTVPZDIX-NVXWUHKLSA-N 0 0 309.413 3.340 10 30 DGEERN Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000408230759 434555463 /nfs/dbraw/zinc/55/54/63/434555463.db2.gz DEKWOHDKWNDBRP-DGCLKSJQSA-N 0 0 321.218 3.488 10 30 DGEERN N#Cc1c(C#N)c(N[C@H]2CCC[C@@H]2C#N)nc2c1CCCCCC2 ZINC000408329483 434563328 /nfs/dbraw/zinc/56/33/28/434563328.db2.gz JKACOGSEFKVIBN-DYVFJYSZSA-N 0 0 319.412 3.588 10 30 DGEERN N#Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1O)CCCC3)CC2 ZINC000408413381 434572113 /nfs/dbraw/zinc/57/21/13/434572113.db2.gz GQEWNKXBOCDCDS-UHFFFAOYSA-N 0 0 318.376 3.346 10 30 DGEERN N#Cc1cnc(C(=O)N2CCC3(C2)CCCCC3)c(Cl)c1 ZINC000439242933 434579353 /nfs/dbraw/zinc/57/93/53/434579353.db2.gz DGHGICKWCIYFQX-UHFFFAOYSA-N 0 0 303.793 3.403 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000369147057 434587053 /nfs/dbraw/zinc/58/70/53/434587053.db2.gz FRSRNXBQWQVGAN-ROKHWSDSSA-N 0 0 306.410 3.058 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000424122408 434628876 /nfs/dbraw/zinc/62/88/76/434628876.db2.gz IVSMPSDCOYZBIK-AGIUHOORSA-N 0 0 324.519 3.362 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCO[C@H](CCC)C1 ZINC000424125455 434631343 /nfs/dbraw/zinc/63/13/43/434631343.db2.gz OAYDCUVHTTTZAW-KGLIPLIRSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000369796244 434601391 /nfs/dbraw/zinc/60/13/91/434601391.db2.gz NFOUPOMEZVEVKG-RTBURBONSA-N 0 0 322.408 3.155 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000369793622 434602055 /nfs/dbraw/zinc/60/20/55/434602055.db2.gz CRNWXYDQTCDHJS-GOSISDBHSA-N 0 0 302.393 3.302 10 30 DGEERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000370159794 434608814 /nfs/dbraw/zinc/60/88/14/434608814.db2.gz GYFGZPLBBHBWJQ-CQSZACIVSA-N 0 0 322.412 3.343 10 30 DGEERN C=CCCOCCCCC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000452607794 434659048 /nfs/dbraw/zinc/65/90/48/434659048.db2.gz UXCVMAZVSZEVTK-DFEOGRTESA-N 0 0 303.446 3.420 10 30 DGEERN C=CCC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOCC1 ZINC000424225847 434661942 /nfs/dbraw/zinc/66/19/42/434661942.db2.gz WDMAMIZYLHFTCQ-UHFFFAOYSA-N 0 0 315.329 3.269 10 30 DGEERN C=C(C)CN(C)c1nnc([C@@H]2CCCS2)n1CCCOCC ZINC000424241283 434664897 /nfs/dbraw/zinc/66/48/97/434664897.db2.gz IZRDURZTWWOLOU-AWEZNQCLSA-N 0 0 324.494 3.285 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC[C@@H](OC)C1 ZINC000424260693 434669067 /nfs/dbraw/zinc/66/90/67/434669067.db2.gz ZEUCQAAGCHIJIB-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCC1(C(=O)N(C)CCCOc2ccccc2)CCOCC1 ZINC000424577868 434746704 /nfs/dbraw/zinc/74/67/04/434746704.db2.gz AMLVRIPMSUUJIT-UHFFFAOYSA-N 0 0 317.429 3.287 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(-c3nnco3)c2)CCOCC1 ZINC000424577148 434748194 /nfs/dbraw/zinc/74/81/94/434748194.db2.gz OFADJQFWHMNOPO-UHFFFAOYSA-N 0 0 313.357 3.048 10 30 DGEERN C=CCC1(c2nc(Cc3cccc(OC)c3)no2)CCOCC1 ZINC000424342389 434704649 /nfs/dbraw/zinc/70/46/49/434704649.db2.gz YHFVLIGOJSYYPS-UHFFFAOYSA-N 0 0 314.385 3.293 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000452778922 434711578 /nfs/dbraw/zinc/71/15/78/434711578.db2.gz RMVUYEGGKZLMFE-IUODEOHRSA-N 0 0 300.402 3.223 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC(F)(F)C1 ZINC000440579165 434717980 /nfs/dbraw/zinc/71/79/80/434717980.db2.gz RALBHUPUYXTYSG-UHFFFAOYSA-N 0 0 310.300 3.155 10 30 DGEERN COc1cc(C#N)ccc1OCC(=O)NCC1CCCCCC1 ZINC000452802279 434720047 /nfs/dbraw/zinc/72/00/47/434720047.db2.gz VZCOOKKOHSRDHV-UHFFFAOYSA-N 0 0 316.401 3.032 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN1C[C@@H]2C[C@H]1CS2 ZINC000459793537 434722699 /nfs/dbraw/zinc/72/26/99/434722699.db2.gz KVIQVOBOOPKCNO-STQMWFEESA-N 0 0 320.483 3.093 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cnc(C)cn1 ZINC000411191149 434742016 /nfs/dbraw/zinc/74/20/16/434742016.db2.gz IUTSTHFSJJJIFH-AWEZNQCLSA-N 0 0 312.373 3.442 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000452927022 434758862 /nfs/dbraw/zinc/75/88/62/434758862.db2.gz KIJAGFARFNPFGN-NEPJUHHUSA-N 0 0 308.740 3.034 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000452928191 434759677 /nfs/dbraw/zinc/75/96/77/434759677.db2.gz LVRVYKTUJCUZKR-MOPGFXCFSA-N 0 0 305.377 3.331 10 30 DGEERN CCC1(CC)[C@H](NC(=O)NCC2CCC(C#N)CC2)C[C@@H]1OC ZINC000440997628 434760533 /nfs/dbraw/zinc/76/05/33/434760533.db2.gz GLEFLKAQUAAMMP-FJBKBRRZSA-N 0 0 321.465 3.209 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2CCOc3ccccc32)CCOCC1 ZINC000424666105 434774684 /nfs/dbraw/zinc/77/46/84/434774684.db2.gz RZQSSXGFGACSQV-OAHLLOKOSA-N 0 0 315.413 3.042 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)Cc2cccs2)CCOCC1 ZINC000424684096 434779389 /nfs/dbraw/zinc/77/93/89/434779389.db2.gz JINVHNSNIDBFDI-CQSZACIVSA-N 0 0 307.459 3.416 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCOCC1 ZINC000424711443 434783975 /nfs/dbraw/zinc/78/39/75/434783975.db2.gz QABDORMUPBWPPS-MRXNPFEDSA-N 0 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/nfs/dbraw/zinc/82/87/70/434828770.db2.gz KEJUJBUKQPUQDH-GWCFXTLKSA-N 0 0 300.185 3.314 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(SC)ccc1Cl ZINC000424913164 434828826 /nfs/dbraw/zinc/82/88/26/434828826.db2.gz JNYIBUNGQRILNA-HZMBPMFUSA-N 0 0 311.834 3.383 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)Cc1ccccc1C ZINC000424925242 434829268 /nfs/dbraw/zinc/82/92/68/434829268.db2.gz OCKIXCYVGNOTKD-NJAFHUGGSA-N 0 0 301.430 3.271 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N(CC)CCC)cc1 ZINC000424934211 434830044 /nfs/dbraw/zinc/83/00/44/434830044.db2.gz UCLHOCIDHWCEHK-WMZOPIPTSA-N 0 0 316.445 3.244 10 30 DGEERN COc1ccc(C[C@@H](C)Nc2cc(C)nc(C#N)c2)cc1OC ZINC000553409300 434890123 /nfs/dbraw/zinc/89/01/23/434890123.db2.gz UNMVWTFFKSORTM-GFCCVEGCSA-N 0 0 311.385 3.322 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc2c(s1)CCC2(C)C ZINC000573559005 434908258 /nfs/dbraw/zinc/90/82/58/434908258.db2.gz BUFNZWWDUMXFMV-QWRGUYRKSA-N 0 0 321.446 3.080 10 30 DGEERN C=CCCCCCNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000573575324 434909508 /nfs/dbraw/zinc/90/95/08/434909508.db2.gz FMQKKPQEUJVRFQ-AWEZNQCLSA-N 0 0 310.829 3.239 10 30 DGEERN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)C1CC1 ZINC000460953544 434866385 /nfs/dbraw/zinc/86/63/85/434866385.db2.gz UQIOJVSCAPTZHV-UHFFFAOYSA-N 0 0 312.417 3.340 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000573104765 434874110 /nfs/dbraw/zinc/87/41/10/434874110.db2.gz CVTKBBABKKMVAN-MRXNPFEDSA-N 0 0 304.438 3.403 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)CC1CCOCC1 ZINC000555266148 434966875 /nfs/dbraw/zinc/96/68/75/434966875.db2.gz VODFFDSWJIPHFM-UHFFFAOYSA-N 0 0 320.481 3.306 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)CC1CC1 ZINC000555238295 434967400 /nfs/dbraw/zinc/96/74/00/434967400.db2.gz LNBHZEBHCFZADQ-UHFFFAOYSA-N 0 0 312.417 3.376 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1Br ZINC000575382769 435033587 /nfs/dbraw/zinc/03/35/87/435033587.db2.gz VBKQHDASTFRDJA-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1OC(F)(F)F 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435032917 /nfs/dbraw/zinc/03/29/17/435032917.db2.gz HTRKBQPQKVYAMZ-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COC(=O)Cc1c(C#N)cc(Br)cc1C(F)(F)F ZINC000575383833 435033055 /nfs/dbraw/zinc/03/30/55/435033055.db2.gz MEJBHOQCADNARW-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN COC(=O)c1cc(Br)cc(C#N)c1OC(F)(F)F ZINC000575383598 435033080 /nfs/dbraw/zinc/03/30/80/435033080.db2.gz SGARSSYAXYRJJQ-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000574968811 435005200 /nfs/dbraw/zinc/00/52/00/435005200.db2.gz MJTTYYOMAWAUHR-IAGOWNOFSA-N 0 0 319.412 3.382 10 30 DGEERN CCOC(=O)Cc1cc(Cl)c(OC(F)(F)F)cc1C#N ZINC000575383044 435033191 /nfs/dbraw/zinc/03/31/91/435033191.db2.gz BXFUHXXPHOMZQY-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1Br ZINC000575383570 435033278 /nfs/dbraw/zinc/03/32/78/435033278.db2.gz OSXFHVIXCRAJIH-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN COC(=O)Cc1c(C(F)(F)F)cc(C#N)cc1C(F)(F)F ZINC000575381201 435033392 /nfs/dbraw/zinc/03/33/92/435033392.db2.gz XAHVDDPONRDEHG-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN COC(=O)Cc1c(Br)cc(C(F)(F)F)cc1C#N ZINC000575383873 435033415 /nfs/dbraw/zinc/03/34/15/435033415.db2.gz OXAKLSABSMQGGP-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN N#CCCn1ncc(C(=O)NCCCC2CC2)c1-c1ccccc1 ZINC000576924580 435058421 /nfs/dbraw/zinc/05/84/21/435058421.db2.gz SXQHKTIHKSJHPS-UHFFFAOYSA-N 0 0 322.412 3.384 10 30 DGEERN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000530908962 435058602 /nfs/dbraw/zinc/05/86/02/435058602.db2.gz BVNIMRYTDALPHB-WMZOPIPTSA-N 0 0 314.429 3.058 10 30 DGEERN COc1ccccc1[C@H]1CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000530913602 435059067 /nfs/dbraw/zinc/05/90/67/435059067.db2.gz JLMKEARJNGMIEV-GOSISDBHSA-N 0 0 320.392 3.473 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000557590923 435059103 /nfs/dbraw/zinc/05/91/03/435059103.db2.gz PQBUARJACMTOEH-UHFFFAOYSA-N 0 0 320.396 3.244 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000577189022 435059567 /nfs/dbraw/zinc/05/95/67/435059567.db2.gz NWXOTMPMJTXDHW-UHFFFAOYSA-N 0 0 323.462 3.242 10 30 DGEERN N#CC1(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000577579222 435061232 /nfs/dbraw/zinc/06/12/32/435061232.db2.gz QYGCTADSRFHGCT-RYUDHWBXSA-N 0 0 324.302 3.109 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@H](c2ccsc2)C1 ZINC000577752419 435061762 /nfs/dbraw/zinc/06/17/62/435061762.db2.gz USYUTSBNSUOBBO-AWEZNQCLSA-N 0 0 318.446 3.056 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000466261487 435068180 /nfs/dbraw/zinc/06/81/80/435068180.db2.gz RJVHFIHDPUURTN-AWEZNQCLSA-N 0 0 308.466 3.084 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCc1ccccc1)CC(=O)OCC ZINC000466444634 435076084 /nfs/dbraw/zinc/07/60/84/435076084.db2.gz XYANQALCEGASOL-INIZCTEOSA-N 0 0 317.429 3.223 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531384487 435091196 /nfs/dbraw/zinc/09/11/96/435091196.db2.gz QJYGGKSGQNTVGE-UHFFFAOYSA-N 0 0 314.772 3.079 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1OC(F)F ZINC000575385265 435034689 /nfs/dbraw/zinc/03/46/89/435034689.db2.gz HKVYDSROVWVTJD-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)c1c(C#N)cc(C=O)cc1SC(F)(F)F ZINC000575391027 435035177 /nfs/dbraw/zinc/03/51/77/435035177.db2.gz DLJOLTFOJFJPDR-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(OC)cc(SC(F)(F)F)c1C#N ZINC000575394091 435035411 /nfs/dbraw/zinc/03/54/11/435035411.db2.gz APWUVGZNXKNMEF-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(Cl)cc(C)c1OC ZINC000529239134 435035413 /nfs/dbraw/zinc/03/54/13/435035413.db2.gz UBXGOVHHCHBUEO-YPMHNXCESA-N 0 0 310.781 3.122 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575393510 435035486 /nfs/dbraw/zinc/03/54/86/435035486.db2.gz DVYMGPYOGSDGGI-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1C=O ZINC000575391387 435035559 /nfs/dbraw/zinc/03/55/59/435035559.db2.gz KZOPRGAZFWTVJF-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc(C)o2)C1 ZINC000529522592 435036956 /nfs/dbraw/zinc/03/69/56/435036956.db2.gz WXBCZYUYTWISHW-AWEZNQCLSA-N 0 0 313.401 3.417 10 30 DGEERN Cc1cc(I)c(OC(F)F)c(CC#N)c1 ZINC000575663641 435039814 /nfs/dbraw/zinc/03/98/14/435039814.db2.gz FXUKECSBOUVCMN-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(OC(F)F)cc(I)c1C#N ZINC000575663987 435040605 /nfs/dbraw/zinc/04/06/05/435040605.db2.gz RIQZLMMAEBGWFK-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCOc1cc(I)c(C#N)cc1CC ZINC000575670609 435041515 /nfs/dbraw/zinc/04/15/15/435041515.db2.gz OQGVCOHVRLWOQG-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#Cc1c(I)cc([N+](=O)[O-])cc1C(F)F ZINC000575671655 435041718 /nfs/dbraw/zinc/04/17/18/435041718.db2.gz SNZVYORUSVFBGH-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc(I)cc(F)c1C(F)F ZINC000575668408 435041836 /nfs/dbraw/zinc/04/18/36/435041836.db2.gz PGQWTBZXHKYCHT-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#CCc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575669197 435041902 /nfs/dbraw/zinc/04/19/02/435041902.db2.gz ZWMHGXKMYPBSMI-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#Cc1cc(I)c(C(F)F)cc1[N+](=O)[O-] ZINC000575671475 435042279 /nfs/dbraw/zinc/04/22/79/435042279.db2.gz QUDNRCRFZAOVOE-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1Br ZINC000575687156 435044265 /nfs/dbraw/zinc/04/42/65/435044265.db2.gz RLGLLTZTBBIART-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1cc([N+](=O)[O-])c(OC(F)F)cc1Br ZINC000575683521 435044296 /nfs/dbraw/zinc/04/42/96/435044296.db2.gz AHOIUFDAQDZLTB-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN Cc1c(Br)cc(I)cc1C#N ZINC000575692453 435045317 /nfs/dbraw/zinc/04/53/17/435045317.db2.gz FMVKQICBKBVXAO-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1c(Br)c(C#N)ccc1I ZINC000575692923 435045548 /nfs/dbraw/zinc/04/55/48/435045548.db2.gz JHQILINSQULWJK-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1cc(Br)c(I)c(C#N)c1 ZINC000575692801 435045575 /nfs/dbraw/zinc/04/55/75/435045575.db2.gz HQAZPDJKCFYVHO-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN COc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1Cl ZINC000530670251 435046157 /nfs/dbraw/zinc/04/61/57/435046157.db2.gz KOAXMUKYERFBBX-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000530521114 435046198 /nfs/dbraw/zinc/04/61/98/435046198.db2.gz QUQZOKPNKPTCAT-WOJBJXKFSA-N 0 0 319.404 3.384 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000575863003 435053511 /nfs/dbraw/zinc/05/35/11/435053511.db2.gz QEJGPBDDDOKGJU-RKDXNWHRSA-N 0 0 320.336 3.390 10 30 DGEERN COc1ccc([C@H](NC(=O)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000531386752 435090466 /nfs/dbraw/zinc/09/04/66/435090466.db2.gz BPCSRVJTRWBIED-HXUWFJFHSA-N 0 0 320.392 3.377 10 30 DGEERN C=CCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000466782251 435092616 /nfs/dbraw/zinc/09/26/16/435092616.db2.gz JGKSDYHHUVZFMF-CVEARBPZSA-N 0 0 321.852 3.303 10 30 DGEERN C=C(C)Cn1c(CCC2CCCCC2)nnc1N(C)CCOC ZINC000558996070 435118361 /nfs/dbraw/zinc/11/83/61/435118361.db2.gz YGWCVGGCGJJQTH-UHFFFAOYSA-N 0 0 320.481 3.450 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@H](CCC)C1 ZINC000558984704 435118677 /nfs/dbraw/zinc/11/86/77/435118677.db2.gz YOPKVLLLGMQRRE-MRXNPFEDSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCN1CC[C@H](N(C)Cc2ccc(C(C)(C)C)s2)C1=O ZINC000467518047 435123356 /nfs/dbraw/zinc/12/33/56/435123356.db2.gz ZNMCMEGDELRJQF-AWEZNQCLSA-N 0 0 306.475 3.264 10 30 DGEERN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Cc1cccc(C#N)c1 ZINC000532012217 435134581 /nfs/dbraw/zinc/13/45/81/435134581.db2.gz VBRXSSQWBBVBQC-IRXDYDNUSA-N 0 0 314.429 3.153 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000561513285 435222870 /nfs/dbraw/zinc/22/28/70/435222870.db2.gz ZSEGXURIVSUWQZ-UHFFFAOYSA-N 0 0 309.765 3.205 10 30 DGEERN C=CCCCCCNC(=O)NCc1nc(C)c2ccccc2n1 ZINC000563370041 435265759 /nfs/dbraw/zinc/26/57/59/435265759.db2.gz OELVZKDCQCQKFH-UHFFFAOYSA-N 0 0 312.417 3.484 10 30 DGEERN C=CCCCCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000563354564 435266471 /nfs/dbraw/zinc/26/64/71/435266471.db2.gz HIVBQYZLBGRBHR-UHFFFAOYSA-N 0 0 306.362 3.009 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc2ccccc2s1 ZINC000564880443 435275718 /nfs/dbraw/zinc/27/57/18/435275718.db2.gz HEICKYAVVMOZEU-ZFWWWQNUSA-N 0 0 316.426 3.292 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000565285213 435277243 /nfs/dbraw/zinc/27/72/43/435277243.db2.gz ZYRGVHSERDRUOJ-OAHLLOKOSA-N 0 0 310.344 3.014 10 30 DGEERN C=CCCCCCNC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000565165754 435277840 /nfs/dbraw/zinc/27/78/40/435277840.db2.gz XYLBFJRLVUXZJU-UHFFFAOYSA-N 0 0 300.406 3.488 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)N[C@@](C)(C#N)CC)c2)c1C ZINC000534296513 435278090 /nfs/dbraw/zinc/27/80/90/435278090.db2.gz FYNABLCGLNAUSH-LJQANCHMSA-N 0 0 324.428 3.474 10 30 DGEERN N#CC1CCC(CNc2nc(C(F)(F)F)nc3nc[nH]c32)CC1 ZINC000562512250 435261403 /nfs/dbraw/zinc/26/14/03/435261403.db2.gz HORKBURXYWEJTO-UHFFFAOYSA-N 0 0 324.310 3.065 10 30 DGEERN C=CCCOCCNC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000535313195 435327970 /nfs/dbraw/zinc/32/79/70/435327970.db2.gz HUIKYHFJAAHIPA-UHFFFAOYSA-N 0 0 322.836 3.117 10 30 DGEERN C=CCN(CC=C)Cc1cc(Br)ccc1C(=O)OC ZINC000513969093 435406680 /nfs/dbraw/zinc/40/66/80/435406680.db2.gz PQDQRPRKAALIGD-UHFFFAOYSA-N 0 0 324.218 3.410 10 30 DGEERN C=CCCCC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000481120813 435410928 /nfs/dbraw/zinc/41/09/28/435410928.db2.gz RHQSBCTWEMZRAF-HZPDHXFCSA-N 0 0 307.434 3.313 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1C[C@@H]1C ZINC000481230211 435414474 /nfs/dbraw/zinc/41/44/74/435414474.db2.gz OTRQWLHRXPTDPI-GOEBONIOSA-N 0 0 304.438 3.208 10 30 DGEERN CCc1nnc(N2CC[C@H](C(F)(F)F)[C@H]2C)c(C#N)c1CC ZINC000480554586 435383625 /nfs/dbraw/zinc/38/36/25/435383625.db2.gz NEXQRIIATDULKP-SKDRFNHKSA-N 0 0 312.339 3.250 10 30 DGEERN C=CCC1(C(=O)NC[C@@]2(C)COc3ccccc3O2)CCC1 ZINC000628324457 435397255 /nfs/dbraw/zinc/39/72/55/435397255.db2.gz UUCBULNGWTWVSI-KRWDZBQOSA-N 0 0 301.386 3.079 10 30 DGEERN CCC1(CC)[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H](C)[C@@H]1OC ZINC000537805428 435467636 /nfs/dbraw/zinc/46/76/36/435467636.db2.gz ZXKUKZSEWQPMTQ-VHSSKADRSA-N 0 0 314.429 3.057 10 30 DGEERN CC#CCCNC(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000568506269 435442614 /nfs/dbraw/zinc/44/26/14/435442614.db2.gz VMNBSGQOAZMVNP-GJZGRUSLSA-N 0 0 324.428 3.302 10 30 DGEERN Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccncc2C#N)cc1 ZINC000568959983 435488031 /nfs/dbraw/zinc/48/80/31/435488031.db2.gz ADSJKUMJARIONT-VQIMIIECSA-N 0 0 307.397 3.263 10 30 DGEERN Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1nc(C)cc(C#N)n1)CC3 ZINC000569797290 435560413 /nfs/dbraw/zinc/56/04/13/435560413.db2.gz HPJZODLHTRBQHU-ZDUSSCGKSA-N 0 0 317.396 3.416 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1cccs1)C(CC)CC ZINC000539712254 435563655 /nfs/dbraw/zinc/56/36/55/435563655.db2.gz LCLZSUXGTFJZGM-DZGCQCFKSA-N 0 0 310.463 3.462 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000485515055 435569257 /nfs/dbraw/zinc/56/92/57/435569257.db2.gz DGLQJEYDFRDQJJ-TWINXVHLSA-N 0 0 323.795 3.432 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000570407642 435616356 /nfs/dbraw/zinc/61/63/56/435616356.db2.gz HSONOMVICMZSEZ-CJNGLKHVSA-N 0 0 308.397 3.293 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC000487378607 435625889 /nfs/dbraw/zinc/62/58/89/435625889.db2.gz MVPWYFNONNJCNS-LLVKDONJSA-N 0 0 308.428 3.026 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000540386266 435597803 /nfs/dbraw/zinc/59/78/03/435597803.db2.gz NXGOIZXPGVHIQQ-JQHSSLGASA-N 0 0 316.445 3.197 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](C2CCCCC2)C1 ZINC000541718381 435643837 /nfs/dbraw/zinc/64/38/37/435643837.db2.gz JDAVWYHLMLXAPN-AEFFLSMTSA-N 0 0 322.493 3.081 10 30 DGEERN N#CCC1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000541977627 435647146 /nfs/dbraw/zinc/64/71/46/435647146.db2.gz VQPMKLDDTXMFRS-UHFFFAOYSA-N 0 0 300.406 3.223 10 30 DGEERN C=C[C@H]1CCCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000489498161 435649061 /nfs/dbraw/zinc/64/90/61/435649061.db2.gz PVWAZAMTDXBZHB-NSHDSACASA-N 0 0 315.442 3.426 10 30 DGEERN C=CCCCS(=O)(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000489521238 435649793 /nfs/dbraw/zinc/64/97/93/435649793.db2.gz XJDYYODBZHRHEO-NSHDSACASA-N 0 0 315.822 3.223 10 30 DGEERN Cc1cc(Nc2ccncc2C#N)cnc1N1CCCC[C@@H]1C ZINC000548163145 435674873 /nfs/dbraw/zinc/67/48/73/435674873.db2.gz WZVPBAXWNRKQQM-AWEZNQCLSA-N 0 0 307.401 3.201 10 30 DGEERN C=CCC1(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCCC1 ZINC000571392645 435703626 /nfs/dbraw/zinc/70/36/26/435703626.db2.gz JHEDINHIWHWCQY-HNNXBMFYSA-N 0 0 312.413 3.365 10 30 DGEERN C=CCCCCCNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000571775109 435736592 /nfs/dbraw/zinc/73/65/92/435736592.db2.gz WWHSDNCPMCAGMK-CYBMUJFWSA-N 0 0 321.387 3.011 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)cc1OC(C)C ZINC000572836396 435873143 /nfs/dbraw/zinc/87/31/43/435873143.db2.gz FHXMTQCROKPKTI-WFASDCNBSA-N 0 0 322.380 3.326 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1nc2c(s1)CCCCC2 ZINC000408230285 303167006 /nfs/dbraw/zinc/16/70/06/303167006.db2.gz AIBQGDPHQYMTDI-MNOVXSKESA-N 0 0 304.419 3.226 10 30 DGEERN CCn1nc(C)c(CN[C@@H](C)c2ccc(C#N)cc2F)c1C ZINC000542834638 314102450 /nfs/dbraw/zinc/10/24/50/314102450.db2.gz SYTCTCVKXHTCNK-NSHDSACASA-N 0 0 300.381 3.381 10 30 DGEERN C[C@H](Nc1cnn(-c2ccccn2)c1)c1ccc(C#N)cc1F ZINC000543754912 314156579 /nfs/dbraw/zinc/15/65/79/314156579.db2.gz KUXUDBIHASSIAM-LBPRGKRZSA-N 0 0 307.332 3.451 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000545202949 314232672 /nfs/dbraw/zinc/23/26/72/314232672.db2.gz WEPVIEYVIWRHNL-MOPGFXCFSA-N 0 0 320.392 3.137 10 30 DGEERN COCCSc1ccc([C@@H](C)Nc2ccncc2C#N)cc1 ZINC000548480385 314451707 /nfs/dbraw/zinc/45/17/07/314451707.db2.gz YWPZBICJRRWXTQ-CYBMUJFWSA-N 0 0 313.426 3.287 10 30 DGEERN C[C@@](O)(CNC(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000555410041 314722651 /nfs/dbraw/zinc/72/26/51/314722651.db2.gz QXGBRHMQSPJZSO-QGZVFWFLSA-N 0 0 320.820 3.273 10 30 DGEERN CCn1ccnc1[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000559610245 314887981 /nfs/dbraw/zinc/88/79/81/314887981.db2.gz XKQPYFVPTZCTMF-KRWDZBQOSA-N 0 0 322.412 3.071 10 30 DGEERN COc1cc(SC)ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000562328726 315010244 /nfs/dbraw/zinc/01/02/44/315010244.db2.gz AILKQIGXXHVLSO-UHFFFAOYSA-N 0 0 312.394 3.470 10 30 DGEERN Cc1cccc(NC(=O)NCCOc2ccc(C#N)cc2)c1F ZINC000179928192 323216958 /nfs/dbraw/zinc/21/69/58/323216958.db2.gz GNEOZCQURZLDAK-UHFFFAOYSA-N 0 0 313.332 3.206 10 30 DGEERN CCS[C@H]1CCC[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188042981 323421272 /nfs/dbraw/zinc/42/12/72/323421272.db2.gz DKVYIGJAXFXWJP-HOTGVXAUSA-N 0 0 314.454 3.380 10 30 DGEERN CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000380704599 323613185 /nfs/dbraw/zinc/61/31/85/323613185.db2.gz HHKKHEXYHHVQFS-UHFFFAOYSA-N 0 0 314.838 3.315 10 30 DGEERN CC(=O)Nc1ccc(C)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000583669380 324381828 /nfs/dbraw/zinc/38/18/28/324381828.db2.gz PKWFBROTSRAVLK-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN COc1ccccc1/C(C)=N/NC(=S)NCc1ccccc1 ZINC000005445403 331491300 /nfs/dbraw/zinc/49/13/00/331491300.db2.gz ZMYLPJFGIDIKKI-CPNJWEJPSA-N 0 0 313.426 3.084 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2cccn2C)cc1 ZINC000297471865 331598561 /nfs/dbraw/zinc/59/85/61/331598561.db2.gz DDXRVQCAQQODSY-LJQANCHMSA-N 0 0 321.424 3.443 10 30 DGEERN C=CCCS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528543438 331601466 /nfs/dbraw/zinc/60/14/66/331601466.db2.gz YBPPHZQQHVCSSB-OAHLLOKOSA-N 0 0 311.422 3.300 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@@H](O)CC23CCC3)c1 ZINC000557678000 331808379 /nfs/dbraw/zinc/80/83/79/331808379.db2.gz LXXOEQGCUBFPDT-OAHLLOKOSA-N 0 0 316.401 3.163 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000584169204 331851160 /nfs/dbraw/zinc/85/11/60/331851160.db2.gz DQLCCRVKLMTWLV-YOEHRIQHSA-N 0 0 317.433 3.244 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CSC1(C)C ZINC000558812660 331945489 /nfs/dbraw/zinc/94/54/89/331945489.db2.gz BMGNRDZAHHHVKL-OAHLLOKOSA-N 0 0 304.459 3.321 10 30 DGEERN C=C(C)CN(C)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000181278619 332190117 /nfs/dbraw/zinc/19/01/17/332190117.db2.gz FXXONBWEQZCPRE-UHFFFAOYSA-N 0 0 318.417 3.359 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000425585728 335107054 /nfs/dbraw/zinc/10/70/54/335107054.db2.gz QMHRIWDZSJIFQI-ZFWWWQNUSA-N 0 0 308.809 3.073 10 30 DGEERN C=CCCN(C)C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425587585 335107365 /nfs/dbraw/zinc/10/73/65/335107365.db2.gz SDIZZWQSYAQNEC-CQSZACIVSA-N 0 0 312.454 3.208 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000185028971 335108089 /nfs/dbraw/zinc/10/80/89/335108089.db2.gz QCERUZNYDJLNED-GFCCVEGCSA-N 0 0 311.389 3.216 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2OC)cc1 ZINC000293771795 335113326 /nfs/dbraw/zinc/11/33/26/335113326.db2.gz YQFUCHUMYGSVCJ-IAGOWNOFSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC[C@H](C(C)C)C2)cc1 ZINC000561878367 332510245 /nfs/dbraw/zinc/51/02/45/332510245.db2.gz ZVVFUQAYOPJCLC-INIZCTEOSA-N 0 0 302.418 3.439 10 30 DGEERN CC(C)n1cc([C@@H](C)NC(=O)NCC2CCC(C#N)CC2)cn1 ZINC000562456792 332594998 /nfs/dbraw/zinc/59/49/98/332594998.db2.gz KISDKPHMBJOEDB-WLYUNCDWSA-N 0 0 317.437 3.154 10 30 DGEERN Cn1c2ccccc2n2c(SCC#Cc3ccccc3)nnc12 ZINC000188064439 333158600 /nfs/dbraw/zinc/15/86/00/333158600.db2.gz NZJPXYFXRJPAFL-UHFFFAOYSA-N 0 0 318.405 3.365 10 30 DGEERN CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000332930396 333323330 /nfs/dbraw/zinc/32/33/30/333323330.db2.gz TWUOGZMVHPUBEP-LIDHIPMTSA-N 0 0 304.434 3.026 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)CCCSC ZINC000563127769 333395049 /nfs/dbraw/zinc/39/50/49/333395049.db2.gz SEUGETKADKGBRO-UHFFFAOYSA-N 0 0 323.491 3.085 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)cc1C(=O)NC1CC1 ZINC000185711598 335148366 /nfs/dbraw/zinc/14/83/66/335148366.db2.gz CYRQNTKOLFNZLY-GFCCVEGCSA-N 0 0 316.401 3.128 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000571157232 333671624 /nfs/dbraw/zinc/67/16/24/333671624.db2.gz TTWIQJMCXPAPNY-GWCFXTLKSA-N 0 0 314.307 3.418 10 30 DGEERN C=CCN(CCC#N)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000293686673 334200900 /nfs/dbraw/zinc/20/09/00/334200900.db2.gz HORRKBHNKAHPDO-UHFFFAOYSA-N 0 0 307.737 3.099 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 ZINC000535040334 334358323 /nfs/dbraw/zinc/35/83/23/334358323.db2.gz NQFXQYUXMNFOSU-MRXNPFEDSA-N 0 0 324.428 3.474 10 30 DGEERN C=CC1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000114274613 335791876 /nfs/dbraw/zinc/79/18/76/335791876.db2.gz FNZYNJOXVTWUNW-UHFFFAOYSA-N 0 0 314.248 3.478 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1ccc(Br)c(C)c1F ZINC000520682315 336014949 /nfs/dbraw/zinc/01/49/49/336014949.db2.gz PLSWYFIFAUXROE-SECBINFHSA-N 0 0 313.170 3.319 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)[C@@H](C)C1CC1 ZINC000584350579 336060382 /nfs/dbraw/zinc/06/03/82/336060382.db2.gz QWPMFUHAUSJRER-NSHDSACASA-N 0 0 303.435 3.131 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000352149579 336196829 /nfs/dbraw/zinc/19/68/29/336196829.db2.gz UAFNDEPINIGJQJ-INIZCTEOSA-N 0 0 320.389 3.139 10 30 DGEERN Cc1cc(S(=O)(=O)N(CCC#N)CCC(C)C)c(C)s1 ZINC000103496159 336242031 /nfs/dbraw/zinc/24/20/31/336242031.db2.gz LKGBEUVNSBYWPH-UHFFFAOYSA-N 0 0 314.476 3.315 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000571680319 336396104 /nfs/dbraw/zinc/39/61/04/336396104.db2.gz UGGJXXBPEFVTCM-VXGBXAGGSA-N 0 0 317.462 3.378 10 30 DGEERN C=CCN(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)C1CC1 ZINC000357391615 336583740 /nfs/dbraw/zinc/58/37/40/336583740.db2.gz PTWUITHVMSUHMW-UHFFFAOYSA-N 0 0 301.390 3.463 10 30 DGEERN CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CC#N)C1CC1 ZINC000357697129 336594857 /nfs/dbraw/zinc/59/48/57/336594857.db2.gz SDWBNZRQDUEEQD-INIZCTEOSA-N 0 0 300.402 3.482 10 30 DGEERN C[C@H]1CC[C@@H](NS(=O)(=O)CCCCC#N)c2ccccc21 ZINC000162335102 533715483 /nfs/dbraw/zinc/71/54/83/533715483.db2.gz MBHQHKQYAVTQHS-XJKSGUPXSA-N 0 0 306.431 3.238 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000373353970 336957112 /nfs/dbraw/zinc/95/71/12/336957112.db2.gz LVEITFZPTILTOW-HNNXBMFYSA-N 0 0 320.477 3.276 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C)n1 ZINC000582772206 337144074 /nfs/dbraw/zinc/14/40/74/337144074.db2.gz QCAPOSLNSXDCHW-KRWDZBQOSA-N 0 0 309.413 3.377 10 30 DGEERN N#CCCn1ccc(NC(=O)NCc2ccc(C(F)F)cc2)n1 ZINC000183868879 337195106 /nfs/dbraw/zinc/19/51/06/337195106.db2.gz UOAGUSBWITVYJR-UHFFFAOYSA-N 0 0 319.315 3.056 10 30 DGEERN CC(C)(C#N)c1ccc(C(=O)NCCOCC2CCC2)cc1 ZINC000582820020 337200856 /nfs/dbraw/zinc/20/08/56/337200856.db2.gz NTRALMKRPVHDLJ-UHFFFAOYSA-N 0 0 300.402 3.034 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000185693880 337250305 /nfs/dbraw/zinc/25/03/05/337250305.db2.gz WYYMVACMHKTRNS-INIZCTEOSA-N 0 0 316.788 3.069 10 30 DGEERN C=CCCCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000583271834 337297979 /nfs/dbraw/zinc/29/79/79/337297979.db2.gz QNYOPVGFZUBBLV-UHFFFAOYSA-N 0 0 305.378 3.183 10 30 DGEERN CS(=O)(=O)OCCC/C=C/c1ccc(Br)cc1 ZINC000584609958 337372041 /nfs/dbraw/zinc/37/20/41/337372041.db2.gz AGRVSVULRCATAQ-HWKANZROSA-N 0 0 319.220 3.219 10 30 DGEERN CC(C)(C=O)[C@H](C[N+](=O)[O-])c1cccc(Br)c1 ZINC000584610557 337372058 /nfs/dbraw/zinc/37/20/58/337372058.db2.gz PZTQNKKNNVJZDL-LLVKDONJSA-N 0 0 300.152 3.035 10 30 DGEERN Ic1cccnc1C#Cc1ccccc1 ZINC000584632376 337377184 /nfs/dbraw/zinc/37/71/84/337377184.db2.gz WOYLYMSZOVNFFN-UHFFFAOYSA-N 0 0 305.118 3.086 10 30 DGEERN CCCCCCCCC[C@H](C)[NH2+]CCOS(=O)([O-])=S ZINC000584651803 337380961 /nfs/dbraw/zinc/38/09/61/337380961.db2.gz NRANTDNNGXCICM-ZDUSSCGKSA-N 0 0 311.513 3.256 10 30 DGEERN C=CCCCCCNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000571775113 337576390 /nfs/dbraw/zinc/57/63/90/337576390.db2.gz WWHSDNCPMCAGMK-ZDUSSCGKSA-N 0 0 321.387 3.011 10 30 DGEERN N#CC1(NC(=O)C/C=C/c2cccc(F)c2)CCSCC1 ZINC000162105569 337606130 /nfs/dbraw/zinc/60/61/30/337606130.db2.gz ANXXDLFKXXRNPC-DUXPYHPUSA-N 0 0 304.390 3.135 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000079996977 337647341 /nfs/dbraw/zinc/64/73/41/337647341.db2.gz KAKMWYKULKBSKM-HNNXBMFYSA-N 0 0 317.385 3.062 10 30 DGEERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108840503 337842395 /nfs/dbraw/zinc/84/23/95/337842395.db2.gz ISODKCJTYHEJNZ-LRDDRELGSA-N 0 0 300.402 3.170 10 30 DGEERN N#C[C@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000119666801 337863833 /nfs/dbraw/zinc/86/38/33/337863833.db2.gz BINCBMHCFKOABF-IBGZPJMESA-N 0 0 319.408 3.112 10 30 DGEERN C=CCCCN(C)C(=O)COc1ccccc1Br ZINC000122449160 337921234 /nfs/dbraw/zinc/92/12/34/337921234.db2.gz KKKPCLHRVYPXJQ-UHFFFAOYSA-N 0 0 312.207 3.253 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000515171467 337981635 /nfs/dbraw/zinc/98/16/35/337981635.db2.gz QBGCPYVZYUPOBZ-LBPRGKRZSA-N 0 0 324.371 3.005 10 30 DGEERN CC#CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000498602299 340020834 /nfs/dbraw/zinc/02/08/34/340020834.db2.gz KTDQSNZDJPLBJC-SNVBAGLBSA-N 0 0 300.185 3.290 10 30 DGEERN CC#CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000499000593 340027641 /nfs/dbraw/zinc/02/76/41/340027641.db2.gz LLENYHNVNUXVOU-OLZOCXBDSA-N 0 0 311.303 3.218 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000501316754 340078519 /nfs/dbraw/zinc/07/85/19/340078519.db2.gz NLMHGGPDRSRRIK-ZMSDIMECSA-N 0 0 317.429 3.125 10 30 DGEERN C=CCCCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C ZINC000507944675 340236208 /nfs/dbraw/zinc/23/62/08/340236208.db2.gz GZSBNVYIUBNEDC-UHFFFAOYSA-N 0 0 314.433 3.413 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@@H](OC)C1 ZINC000508481873 340244554 /nfs/dbraw/zinc/24/45/54/340244554.db2.gz USBVFGPPNKSKJK-MRXNPFEDSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC ZINC000508508551 340245219 /nfs/dbraw/zinc/24/52/19/340245219.db2.gz LGHMVGMIXIVDEU-UHFFFAOYSA-N 0 0 308.332 3.189 10 30 DGEERN C=CC1CCN(c2nnc(CCCc3cccs3)n2C)CC1 ZINC000508719589 340251371 /nfs/dbraw/zinc/25/13/71/340251371.db2.gz YINCBELCFBOCNC-UHFFFAOYSA-N 0 0 316.474 3.454 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](CC)C1 ZINC000508816986 340253728 /nfs/dbraw/zinc/25/37/28/340253728.db2.gz LQMAKFNWINBGBF-PBHICJAKSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000508889961 340255380 /nfs/dbraw/zinc/25/53/80/340255380.db2.gz VFKZEMGYAMXXQX-CABCVRRESA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC000508905878 340255585 /nfs/dbraw/zinc/25/55/85/340255585.db2.gz BPTPDERMUNYMNU-HOTGVXAUSA-N 0 0 310.445 3.456 10 30 DGEERN C=CCn1c(-c2cccn2C)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000508923296 340255825 /nfs/dbraw/zinc/25/58/25/340255825.db2.gz UFROBXGQJRUSMY-GJZGRUSLSA-N 0 0 311.433 3.096 10 30 DGEERN CCN(C(=O)NCC(C)(C)C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000512914083 340383786 /nfs/dbraw/zinc/38/37/86/340383786.db2.gz ZDKTZGGAUBKITN-CQSZACIVSA-N 0 0 317.433 3.207 10 30 DGEERN COc1ccc2nc(C(=O)N[C@@H](C#N)C3CCCCC3)ccc2c1 ZINC000176598778 340429107 /nfs/dbraw/zinc/42/91/07/340429107.db2.gz WSIHWQURKARMHO-SFHVURJKSA-N 0 0 323.396 3.446 10 30 DGEERN CC#CCCCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000185365259 340500406 /nfs/dbraw/zinc/50/04/06/340500406.db2.gz ZGSDHOHMTCRNFK-MRXNPFEDSA-N 0 0 315.413 3.018 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000185529688 340502443 /nfs/dbraw/zinc/50/24/43/340502443.db2.gz LESCIRUMXUHGSK-HNNXBMFYSA-N 0 0 314.429 3.028 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000185607821 340503436 /nfs/dbraw/zinc/50/34/36/340503436.db2.gz FRLQQPPTGACTKK-WBVHZDCISA-N 0 0 317.429 3.222 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000185714745 340504431 /nfs/dbraw/zinc/50/44/31/340504431.db2.gz QMTYTTUDBGXSHB-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCOc1ccc(CNCc2n[nH]cc2Br)cc1 ZINC000523391330 340623022 /nfs/dbraw/zinc/62/30/22/340623022.db2.gz LZANKVCPRILXOW-UHFFFAOYSA-N 0 0 322.206 3.027 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000303752629 340640928 /nfs/dbraw/zinc/64/09/28/340640928.db2.gz FUMZOQJCYSLZHC-UHFFFAOYSA-N 0 0 311.447 3.369 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Cn1ccc(C(F)F)n1 ZINC000529217909 340748747 /nfs/dbraw/zinc/74/87/47/340748747.db2.gz JZNNSOPJYPJQSK-UHFFFAOYSA-N 0 0 319.355 3.426 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1)c1ccccc1 ZINC000530078482 340778943 /nfs/dbraw/zinc/77/89/43/340778943.db2.gz GZCWUQSFJBIPJN-WMLDXEAASA-N 0 0 323.396 3.206 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)noc1C ZINC000062896902 340796539 /nfs/dbraw/zinc/79/65/39/340796539.db2.gz YPSOCXDTWXZLND-UHFFFAOYSA-N 0 0 315.329 3.028 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000128378728 340879960 /nfs/dbraw/zinc/87/99/60/340879960.db2.gz ACILWNSBLRNXHH-KGLIPLIRSA-N 0 0 321.852 3.303 10 30 DGEERN C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000540942160 340952522 /nfs/dbraw/zinc/95/25/22/340952522.db2.gz QWWIZLFSMNXKJW-TZMCWYRMSA-N 0 0 301.390 3.238 10 30 DGEERN CC(C)(C#N)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000542830944 341022600 /nfs/dbraw/zinc/02/26/00/341022600.db2.gz UXYWFVFFLJJCSR-UHFFFAOYSA-N 0 0 307.325 3.120 10 30 DGEERN CC(C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000542831048 341022676 /nfs/dbraw/zinc/02/26/76/341022676.db2.gz ZXLPDPKVUFLSKB-MNOVXSKESA-N 0 0 312.291 3.107 10 30 DGEERN C=CCC(CC=C)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000131047481 341056998 /nfs/dbraw/zinc/05/69/98/341056998.db2.gz ZXDVFTFRAZDPAG-HOTGVXAUSA-N 0 0 309.475 3.268 10 30 DGEERN C=CCC(CC=C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000131047078 341057005 /nfs/dbraw/zinc/05/70/05/341057005.db2.gz ZXDVFTFRAZDPAG-CVEARBPZSA-N 0 0 309.475 3.268 10 30 DGEERN CC#CCCNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000544581644 341087232 /nfs/dbraw/zinc/08/72/32/341087232.db2.gz MCPQCMACJNUEPJ-UHFFFAOYSA-N 0 0 306.337 3.232 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000076491977 341208287 /nfs/dbraw/zinc/20/82/87/341208287.db2.gz BGFKPTIVXLGMCN-QGZVFWFLSA-N 0 0 300.402 3.386 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000134988136 341228115 /nfs/dbraw/zinc/22/81/15/341228115.db2.gz KSPXUORMBPTCFX-SFHVURJKSA-N 0 0 311.385 3.286 10 30 DGEERN Cc1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n(CCC#N)n1 ZINC000547733198 341229344 /nfs/dbraw/zinc/22/93/44/341229344.db2.gz VYBHDOWLBFVMQQ-UHFFFAOYSA-N 0 0 320.755 3.079 10 30 DGEERN CC(C)NC(=O)c1ccccc1NCC#Cc1ccc(F)cc1 ZINC000135554598 341241922 /nfs/dbraw/zinc/24/19/22/341241922.db2.gz RSEWUSJCRPLXRZ-UHFFFAOYSA-N 0 0 310.372 3.428 10 30 DGEERN N#C[C@@H](NC(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000136044350 341251507 /nfs/dbraw/zinc/25/15/07/341251507.db2.gz HMEVQGAJDOCLEJ-SNVBAGLBSA-N 0 0 313.582 3.134 10 30 DGEERN CC(C)(C)[C@@H](NC(=O)N1CCC(C)(C#N)CC1)C(F)(F)F ZINC000548511294 341265079 /nfs/dbraw/zinc/26/50/79/341265079.db2.gz MVJUCVHKGLHVOU-SNVBAGLBSA-N 0 0 305.344 3.299 10 30 DGEERN Cc1cc(C)cc(OCC(=O)NCC2CCC(C#N)CC2)c1 ZINC000548843419 341277645 /nfs/dbraw/zinc/27/76/45/341277645.db2.gz MLJWOSUXFJRRPK-UHFFFAOYSA-N 0 0 300.402 3.128 10 30 DGEERN CCc1cccc(OCC(=O)NCC2CCC(C#N)CC2)c1 ZINC000548844391 341277729 /nfs/dbraw/zinc/27/77/29/341277729.db2.gz COAZACYAFZPFRV-UHFFFAOYSA-N 0 0 300.402 3.074 10 30 DGEERN N#CC1CCC(CNC(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000548923160 341281110 /nfs/dbraw/zinc/28/11/10/341281110.db2.gz NGSRKYKYOHOQSR-UHFFFAOYSA-N 0 0 300.406 3.058 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@](C)(OC)C1 ZINC000549250100 341289678 /nfs/dbraw/zinc/28/96/78/341289678.db2.gz RTHVJHAATCXMAJ-SFHVURJKSA-N 0 0 320.481 3.448 10 30 DGEERN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C)C1 ZINC000549260539 341289839 /nfs/dbraw/zinc/28/98/39/341289839.db2.gz FJLOWRRVMQKNMC-YOEHRIQHSA-N 0 0 324.428 3.377 10 30 DGEERN CC(C)Cn1c(CC2CC2)nnc1N1CCC(C)(C#N)CC1 ZINC000549442780 341294725 /nfs/dbraw/zinc/29/47/25/341294725.db2.gz INQXJQQUHDAYHY-UHFFFAOYSA-N 0 0 301.438 3.017 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(COC)CC1 ZINC000549656716 341300012 /nfs/dbraw/zinc/30/00/12/341300012.db2.gz OJOYGYPDAKFEGS-UHFFFAOYSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCN(CC=C)c1nnc(C(F)(F)Oc2ccccc2)n1C ZINC000564378552 341340374 /nfs/dbraw/zinc/34/03/74/341340374.db2.gz NOHHSRJLBRPTHT-UHFFFAOYSA-N 0 0 320.343 3.122 10 30 DGEERN CN(C)c1nc(CNc2ccccc2SCCC#N)ns1 ZINC000089660319 341406613 /nfs/dbraw/zinc/40/66/13/341406613.db2.gz DYYXZBAVKUTTCS-UHFFFAOYSA-N 0 0 319.459 3.222 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](CC)C1 ZINC000555265460 341478796 /nfs/dbraw/zinc/47/87/96/341478796.db2.gz KDQVKVLDZHKRNT-OAHLLOKOSA-N 0 0 314.433 3.469 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000565019609 341515280 /nfs/dbraw/zinc/51/52/80/341515280.db2.gz GPAVLBLVYVQDDN-PMUMKWKESA-N 0 0 309.450 3.415 10 30 DGEERN C=CCN(CC=C)C(=O)COc1cc(C)nc2c(C)cccc12 ZINC000565336947 341524226 /nfs/dbraw/zinc/52/42/26/341524226.db2.gz ZNNNLCKRDCVRKW-UHFFFAOYSA-N 0 0 310.397 3.431 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccccc1SCC(N)=O ZINC000566423040 341557465 /nfs/dbraw/zinc/55/74/65/341557465.db2.gz JYAYEPKNORSRJU-UHFFFAOYSA-N 0 0 321.446 3.132 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1Nc1ccc(C)cc1 ZINC000567085794 341578912 /nfs/dbraw/zinc/57/89/12/341578912.db2.gz KFMCQQBXGQRQQQ-MRXNPFEDSA-N 0 0 310.397 3.405 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000567400073 341601395 /nfs/dbraw/zinc/60/13/95/341601395.db2.gz IBCMMIYYJWQHOO-SUHUHFCYSA-N 0 0 302.399 3.065 10 30 DGEERN C=CCCOCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000155473534 341608009 /nfs/dbraw/zinc/60/80/09/341608009.db2.gz OUUXRJCJCUTXGA-UHFFFAOYSA-N 0 0 303.333 3.408 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000568229841 341659890 /nfs/dbraw/zinc/65/98/90/341659890.db2.gz GAKZBODMSQHEGT-HNNXBMFYSA-N 0 0 316.449 3.467 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(CC)CC(C)C ZINC000568509823 341673398 /nfs/dbraw/zinc/67/33/98/341673398.db2.gz BUFWHGIYHGYMFB-UHFFFAOYSA-N 0 0 305.451 3.378 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000572615109 341697898 /nfs/dbraw/zinc/69/78/98/341697898.db2.gz RCJBWROKZNCIOW-UHFFFAOYSA-N 0 0 309.435 3.068 10 30 DGEERN Cc1ccc(OCCCC(=O)NC2(C#N)CCCC2)c(C)c1 ZINC000163774906 341701148 /nfs/dbraw/zinc/70/11/48/341701148.db2.gz RYZYKKYMMUFMAT-UHFFFAOYSA-N 0 0 300.402 3.415 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(Cc2ccccc2)CCC1 ZINC000573481274 341729567 /nfs/dbraw/zinc/72/95/67/341729567.db2.gz QVPIKYIFODFYLZ-IRXDYDNUSA-N 0 0 314.429 3.042 10 30 DGEERN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)C3CC3)c12 ZINC000171722977 341783535 /nfs/dbraw/zinc/78/35/35/341783535.db2.gz SROGAFAQEZGHTF-HNNXBMFYSA-N 0 0 324.384 3.085 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NC2(C3(C)CC3)CC2)cc1 ZINC000580621518 341888211 /nfs/dbraw/zinc/88/82/11/341888211.db2.gz YELKMVBDXIQWDB-UHFFFAOYSA-N 0 0 313.401 3.057 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000176633977 341893565 /nfs/dbraw/zinc/89/35/65/341893565.db2.gz CJFHMXCXSWLZAL-KSZLIROESA-N 0 0 312.413 3.387 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CCOC)Cc2ccccc2)cc1 ZINC000296724729 500571568 /nfs/dbraw/zinc/57/15/68/500571568.db2.gz JPMGXCDXZCDQPS-UHFFFAOYSA-N 0 0 322.408 3.026 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000584024096 500572069 /nfs/dbraw/zinc/57/20/69/500572069.db2.gz RLBSWIOJEJASRA-UHFFFAOYSA-N 0 0 308.353 3.351 10 30 DGEERN C[C@H](C(=O)Nc1cc(C#N)ccn1)c1cn(C)c2ccccc12 ZINC000436009552 534296363 /nfs/dbraw/zinc/29/63/63/534296363.db2.gz VHZMVYIMFJIKJQ-LBPRGKRZSA-N 0 0 304.353 3.187 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000468874201 534358085 /nfs/dbraw/zinc/35/80/85/534358085.db2.gz HQMDWWZJQLUJLD-IAGOWNOFSA-N 0 0 317.404 3.345 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](OCCCC)C1(C)C ZINC000469530799 534360382 /nfs/dbraw/zinc/36/03/82/534360382.db2.gz IRTJMUJFLITDPL-QKPAOTATSA-N 0 0 309.450 3.068 10 30 DGEERN C=C(CC)CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000458234148 534408278 /nfs/dbraw/zinc/40/82/78/534408278.db2.gz IKJDKICEGWXWFA-UHFFFAOYSA-N 0 0 317.364 3.289 10 30 DGEERN C=CCc1cc(CNCc2cnc(CCC)o2)cc(OC)c1O ZINC000449609204 534416991 /nfs/dbraw/zinc/41/69/91/534416991.db2.gz ARROIMQPBWIYDD-UHFFFAOYSA-N 0 0 316.401 3.360 10 30 DGEERN C=CCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000453417054 534450389 /nfs/dbraw/zinc/45/03/89/534450389.db2.gz XRDXZWRWLVOQNB-HDMKZQKVSA-N 0 0 316.449 3.332 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000455383618 534508074 /nfs/dbraw/zinc/50/80/74/534508074.db2.gz KYECWOYEFRQTPR-IBGZPJMESA-N 0 0 314.429 3.430 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000458982355 534510242 /nfs/dbraw/zinc/51/02/42/534510242.db2.gz APDGCECHMSATLC-UHFFFAOYSA-N 0 0 314.429 3.212 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000455384967 534513713 /nfs/dbraw/zinc/51/37/13/534513713.db2.gz MXUSRTXAMQROFB-HOTGVXAUSA-N 0 0 302.418 3.276 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000458805794 534546545 /nfs/dbraw/zinc/54/65/45/534546545.db2.gz AYERZNVWJVRIDX-ARFHVFGLSA-N 0 0 308.466 3.314 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000495228225 534550227 /nfs/dbraw/zinc/55/02/27/534550227.db2.gz DGTMAFGTDKGVOX-GDBMZVCRSA-N 0 0 302.418 3.376 10 30 DGEERN N#CC1(CS(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180390761 534561309 /nfs/dbraw/zinc/56/13/09/534561309.db2.gz UKZRLHRFCQUSDF-CQSZACIVSA-N 0 0 324.833 3.014 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000455435606 534565138 /nfs/dbraw/zinc/56/51/38/534565138.db2.gz QGQILSIOVRBZFK-JQHSSLGASA-N 0 0 316.445 3.301 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccccc1)C(C)C ZINC000459037860 534566028 /nfs/dbraw/zinc/56/60/28/534566028.db2.gz FYWBLUZWRPVJBJ-SJORKVTESA-N 0 0 302.418 3.340 10 30 DGEERN C=CCC1(CNC(=O)N2CCC[C@]3(CCOC3)C2)CCCC1 ZINC000455472041 534599130 /nfs/dbraw/zinc/59/91/30/534599130.db2.gz ZOYGUJXOYXNOJS-SFHVURJKSA-N 0 0 306.450 3.335 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000455405332 534600459 /nfs/dbraw/zinc/60/04/59/534600459.db2.gz KMFPZHDQFXXDBI-IMJJTQAJSA-N 0 0 320.820 3.182 10 30 DGEERN CCc1nnc(NCCC[C@@H]2CCCC[C@@H]2O)c(C#N)c1CC ZINC000154533972 522779169 /nfs/dbraw/zinc/77/91/69/522779169.db2.gz KXKKGQXZWSODKJ-GUYCJALGSA-N 0 0 316.449 3.216 10 30 DGEERN Cc1cnc([C@H](C)Nc2ncc(Br)cc2C#N)o1 ZINC000311209981 534659652 /nfs/dbraw/zinc/65/96/52/534659652.db2.gz OPJXBGNJRDIZPD-QMMMGPOBSA-N 0 0 307.151 3.185 10 30 DGEERN C=CCCCCNC(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000458686024 534683324 /nfs/dbraw/zinc/68/33/24/534683324.db2.gz WJEUGXCLTRVBLC-UHFFFAOYSA-N 0 0 318.352 3.031 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000494214139 534690736 /nfs/dbraw/zinc/69/07/36/534690736.db2.gz YLBGSXBQXHXDPZ-OCCSQVGLSA-N 0 0 302.374 3.226 10 30 DGEERN C=CCCCCNC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000471702999 534691242 /nfs/dbraw/zinc/69/12/42/534691242.db2.gz YBQVGDOZMFVMTC-UHFFFAOYSA-N 0 0 300.406 3.173 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000458471698 534706201 /nfs/dbraw/zinc/70/62/01/534706201.db2.gz STYVOACYOCIRCH-LLVKDONJSA-N 0 0 313.184 3.092 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472334921 534712097 /nfs/dbraw/zinc/71/20/97/534712097.db2.gz AVYXAKXRRJOHGV-UHFFFAOYSA-N 0 0 311.378 3.467 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000472340630 534712156 /nfs/dbraw/zinc/71/21/56/534712156.db2.gz NQVZTOLSRWVWSB-UHFFFAOYSA-N 0 0 305.802 3.374 10 30 DGEERN C=CCCCNC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000454893345 534727524 /nfs/dbraw/zinc/72/75/24/534727524.db2.gz MDNKEMPWBNOQHP-ZDUSSCGKSA-N 0 0 316.380 3.338 10 30 DGEERN N#CCc1cccc(C(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000177816109 534729856 /nfs/dbraw/zinc/72/98/56/534729856.db2.gz ABYWJIHBVMTQNI-HNNXBMFYSA-N 0 0 312.394 3.028 10 30 DGEERN C=CCCCS(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000489813954 534742394 /nfs/dbraw/zinc/74/23/94/534742394.db2.gz AYAJHQFJIALUJK-UHFFFAOYSA-N 0 0 309.765 3.004 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H](C)F ZINC000458879393 534839442 /nfs/dbraw/zinc/83/94/42/534839442.db2.gz JUQUJFUONXELGB-GFCCVEGCSA-N 0 0 309.341 3.041 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC#N)c1ccccc1 ZINC000195122085 534858247 /nfs/dbraw/zinc/85/82/47/534858247.db2.gz MXKVIIZGOXAMMZ-UHFFFAOYSA-N 0 0 324.428 3.255 10 30 DGEERN C=CCN(CCOC)C(=O)NCCc1c(C)oc2ccccc21 ZINC000359269894 526288409 /nfs/dbraw/zinc/28/84/09/526288409.db2.gz DNQKYKJWLMDPRT-UHFFFAOYSA-N 0 0 316.401 3.128 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282304966 526293245 /nfs/dbraw/zinc/29/32/45/526293245.db2.gz MKIFVINBQSUISB-INIZCTEOSA-N 0 0 313.445 3.119 10 30 DGEERN CC#CCCCC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000185672323 526304975 /nfs/dbraw/zinc/30/49/75/526304975.db2.gz ZRWWOGGCEWCSFZ-UHFFFAOYSA-N 0 0 315.398 3.346 10 30 DGEERN C/C=C/c1ccc(OCC(=O)NC2(C#N)CCCC2)c(OC)c1 ZINC000058858214 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DGEERN C=C1CCN(S(=O)(=O)Cc2ccc3ccccc3c2)CC1 ZINC000349592729 526905934 /nfs/dbraw/zinc/90/59/34/526905934.db2.gz WQENNSVPAUEGDN-UHFFFAOYSA-N 0 0 301.411 3.322 10 30 DGEERN C=C1CCN([C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000343910519 526908130 /nfs/dbraw/zinc/90/81/30/526908130.db2.gz DADAVVFQCQVZNB-KRWDZBQOSA-N 0 0 302.393 3.282 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296672107 526944533 /nfs/dbraw/zinc/94/45/33/526944533.db2.gz PLXMFRYDBABXSP-HOCLYGCPSA-N 0 0 313.401 3.133 10 30 DGEERN C=CCOc1cccnc1-c1nc(-c2cc(C)cc(C)n2)no1 ZINC000356945215 526951662 /nfs/dbraw/zinc/95/16/62/526951662.db2.gz FSDOEZAUOUOCHK-UHFFFAOYSA-N 0 0 308.341 3.375 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000433723628 526957885 /nfs/dbraw/zinc/95/78/85/526957885.db2.gz SJVSAARFZZJNAU-LLVKDONJSA-N 0 0 314.307 3.061 10 30 DGEERN C=CC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000357913912 526960869 /nfs/dbraw/zinc/96/08/69/526960869.db2.gz CQTMMWLRVAMFPA-UHFFFAOYSA-N 0 0 322.202 3.056 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@@H](C)c1ccccc1OC ZINC000341887616 526965948 /nfs/dbraw/zinc/96/59/48/526965948.db2.gz HZDHOKJIHOGXKF-ZDUSSCGKSA-N 0 0 312.369 3.146 10 30 DGEERN C=CCSCCNC(=O)CCCC(=O)c1ccc(C)cc1 ZINC000184438367 526984186 /nfs/dbraw/zinc/98/41/86/526984186.db2.gz UIZWMWJVRAZBHF-UHFFFAOYSA-N 0 0 305.443 3.383 10 30 DGEERN C=CCC(C)(C)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000355968473 526984707 /nfs/dbraw/zinc/98/47/07/526984707.db2.gz UEEXLNVUSPOVIB-UHFFFAOYSA-N 0 0 300.402 3.136 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000288331153 527030820 /nfs/dbraw/zinc/03/08/20/527030820.db2.gz IIGBNTHRSXYVMY-NQBHXWOUSA-N 0 0 304.365 3.115 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000126539869 527032904 /nfs/dbraw/zinc/03/29/04/527032904.db2.gz OBNMKQQKXVWWLV-UHFFFAOYSA-N 0 0 323.396 3.452 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000281530221 527039056 /nfs/dbraw/zinc/03/90/56/527039056.db2.gz YMFVZNOGJWFNOF-MRXNPFEDSA-N 0 0 312.417 3.368 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000341442265 527046017 /nfs/dbraw/zinc/04/60/17/527046017.db2.gz QVXOINMAMUHYOE-MRXNPFEDSA-N 0 0 312.417 3.335 10 30 DGEERN C=CCC1(C(=O)N2CCc3cc(OC)c(F)cc3C2)CCC1 ZINC000359942398 527048763 /nfs/dbraw/zinc/04/87/63/527048763.db2.gz NNNPLQXVLVNFNO-UHFFFAOYSA-N 0 0 303.377 3.465 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)CCOCC1 ZINC000424792105 527057964 /nfs/dbraw/zinc/05/79/64/527057964.db2.gz YWNIPDMKNBQBDC-CABCVRRESA-N 0 0 309.450 3.068 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCCOc3ccccc32)CCOCC1 ZINC000424645630 527059610 /nfs/dbraw/zinc/05/96/10/527059610.db2.gz STEPYCIGWPTHGC-INIZCTEOSA-N 0 0 315.413 3.389 10 30 DGEERN C=CCC1(C(=O)Nc2cc(OC)ccc2OCC)CCOCC1 ZINC000425483048 527060126 /nfs/dbraw/zinc/06/01/26/527060126.db2.gz VUPJFMJHAVBZAE-UHFFFAOYSA-N 0 0 319.401 3.405 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CC1(CSc2ccccc2)CC1 ZINC000186370205 527086794 /nfs/dbraw/zinc/08/67/94/527086794.db2.gz XLZSQIXZYSCDFX-AWEZNQCLSA-N 0 0 305.443 3.002 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000359002335 527092837 /nfs/dbraw/zinc/09/28/37/527092837.db2.gz NXVBHZWZNUMGRG-OLZOCXBDSA-N 0 0 316.376 3.276 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000347691958 527093227 /nfs/dbraw/zinc/09/32/27/527093227.db2.gz VDPAJADYDWKAGL-HOTGVXAUSA-N 0 0 304.434 3.400 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000346340550 527094431 /nfs/dbraw/zinc/09/44/31/527094431.db2.gz TVQVSMWMRQAOMM-WMZOPIPTSA-N 0 0 316.445 3.424 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000184658739 527095583 /nfs/dbraw/zinc/09/55/83/527095583.db2.gz BVDHJYZTYYPXTM-LBPRGKRZSA-N 0 0 317.414 3.232 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1occc1CSc1ccccc1 ZINC000185891061 527101038 /nfs/dbraw/zinc/10/10/38/527101038.db2.gz DVQRGKDDWQEAAI-AWEZNQCLSA-N 0 0 317.410 3.239 10 30 DGEERN C=CCCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000183266734 527106020 /nfs/dbraw/zinc/10/60/20/527106020.db2.gz GQYZSGSCPICNNV-SOUVJXGZSA-N 0 0 322.449 3.104 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1nnn(C(C)C)c1C ZINC000412842999 527112394 /nfs/dbraw/zinc/11/23/94/527112394.db2.gz RKQPCAYELRFHCU-INIZCTEOSA-N 0 0 312.417 3.085 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cc(C(=O)OC)ccn2)CCCC1(C)C ZINC000415524508 527117502 /nfs/dbraw/zinc/11/75/02/527117502.db2.gz APZAOZVPVOANKK-HNNXBMFYSA-N 0 0 316.401 3.075 10 30 DGEERN C=CC[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000342364984 527136777 /nfs/dbraw/zinc/13/67/77/527136777.db2.gz XJWDEJNMEYWNEJ-ZDUSSCGKSA-N 0 0 307.353 3.440 10 30 DGEERN C=CC[C@H](C)NC(=O)c1cccc2c1[nH]c1ccccc1c2=O ZINC000445018186 527137751 /nfs/dbraw/zinc/13/77/51/527137751.db2.gz IDQLPDACMWRNKP-LBPRGKRZSA-N 0 0 306.365 3.376 10 30 DGEERN C=CC[C@H](CC)NC(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000337088472 527145381 /nfs/dbraw/zinc/14/53/81/527145381.db2.gz HHDHCHXXJOLHHM-AWEZNQCLSA-N 0 0 319.401 3.138 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)N[C@@](C)(CO)C(C)C)c1C(C)C ZINC000331157476 527158627 /nfs/dbraw/zinc/15/86/27/527158627.db2.gz CAUAMHAAZQUHSX-KRWDZBQOSA-N 0 0 308.422 3.361 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)N(C[C@H](C)C#N)C2CC2)c1C(C)C ZINC000338347788 527161711 /nfs/dbraw/zinc/16/17/11/527161711.db2.gz LQTVPUJMYHANMA-LLVKDONJSA-N 0 0 315.417 3.413 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000281939370 527180724 /nfs/dbraw/zinc/18/07/24/527180724.db2.gz KJPREEMCTYZUGZ-UHFFFAOYSA-N 0 0 308.809 3.320 10 30 DGEERN C=CCCCN(C)C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000340551226 527181319 /nfs/dbraw/zinc/18/13/19/527181319.db2.gz RHBFNFDSOXBBAT-JCYILVPMSA-N 0 0 309.450 3.165 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cn(-c2ccccc2)nc1C ZINC000182987402 527184859 /nfs/dbraw/zinc/18/48/59/527184859.db2.gz IVYIMABRTNLPML-UHFFFAOYSA-N 0 0 312.417 3.288 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000353860225 527187131 /nfs/dbraw/zinc/18/71/31/527187131.db2.gz LYFPQTUULFXJKI-UHFFFAOYSA-N 0 0 308.353 3.351 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000184850993 527187843 /nfs/dbraw/zinc/18/78/43/527187843.db2.gz OIPITZXPYNCKAB-CQSZACIVSA-N 0 0 318.417 3.468 10 30 DGEERN C=CCCCN(C)C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000076491753 527189332 /nfs/dbraw/zinc/18/93/32/527189332.db2.gz WQSCYYDIZZUECV-IBGZPJMESA-N 0 0 314.429 3.106 10 30 DGEERN C=CCCCN(C)C(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC000360268912 527190047 /nfs/dbraw/zinc/19/00/47/527190047.db2.gz SIRIOPYDLCWSHE-HNNXBMFYSA-N 0 0 301.434 3.356 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000183208525 527202232 /nfs/dbraw/zinc/20/22/32/527202232.db2.gz AMGHMGHAOGFLST-CQSZACIVSA-N 0 0 315.373 3.017 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000185892088 527206795 /nfs/dbraw/zinc/20/67/95/527206795.db2.gz BXWURLAYYUCXSW-CYBMUJFWSA-N 0 0 305.374 3.221 10 30 DGEERN C=CC[C@H](CO)Nc1nc(C)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000358486452 527212213 /nfs/dbraw/zinc/21/22/13/527212213.db2.gz YEWCPLGMSXZTPE-ZYHUDNBSSA-N 0 0 317.458 3.473 10 30 DGEERN C=CCCCNC(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000344470029 527212897 /nfs/dbraw/zinc/21/28/97/527212897.db2.gz WASYXHRYEILQIC-UHFFFAOYSA-N 0 0 309.793 3.394 10 30 DGEERN C=CCCCNC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000448248289 527216275 /nfs/dbraw/zinc/21/62/75/527216275.db2.gz JCPKUOPQGRFMRC-QGZVFWFLSA-N 0 0 320.408 3.483 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000413833219 527216533 /nfs/dbraw/zinc/21/65/33/527216533.db2.gz KFQIVOQUCZHXMI-BVIKNXMNSA-N 0 0 316.445 3.381 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000413832623 527218948 /nfs/dbraw/zinc/21/89/48/527218948.db2.gz JHWCICJXTZWRGE-RCCFBDPRSA-N 0 0 316.445 3.024 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1nnn(C(C)C)c1C ZINC000412843001 527221503 /nfs/dbraw/zinc/22/15/03/527221503.db2.gz RKQPCAYELRFHCU-MRXNPFEDSA-N 0 0 312.417 3.085 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cnn(C)c1SC ZINC000412838183 527221944 /nfs/dbraw/zinc/22/19/44/527221944.db2.gz JKMCNXQHEPXKMD-CQSZACIVSA-N 0 0 315.442 3.059 10 30 DGEERN C=CCCCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000357486732 527224045 /nfs/dbraw/zinc/22/40/45/527224045.db2.gz NKLVCEQVLSARBI-SFHVURJKSA-N 0 0 322.408 3.240 10 30 DGEERN C=CC[C@H]1N(C(=O)N[C@@H](C)c2csnn2)CCCC1(C)C ZINC000413806198 527225490 /nfs/dbraw/zinc/22/54/90/527225490.db2.gz BNQZPTPEKWMVLN-WCQYABFASA-N 0 0 308.451 3.375 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000302031589 527226274 /nfs/dbraw/zinc/22/62/74/527226274.db2.gz NNNCSXIWILGXHZ-HNNXBMFYSA-N 0 0 319.364 3.299 10 30 DGEERN C=CCCC[C@@H](C)N1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000431299768 527249313 /nfs/dbraw/zinc/24/93/13/527249313.db2.gz XAPXALCBRIIKIJ-GFCCVEGCSA-N 0 0 322.355 3.474 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000181097471 527261368 /nfs/dbraw/zinc/26/13/68/527261368.db2.gz DVSKGTYDQPEVFZ-HIFRSBDPSA-N 0 0 320.437 3.087 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000182655373 527269145 /nfs/dbraw/zinc/26/91/45/527269145.db2.gz VBLDXZGNFWEPIU-WBVHZDCISA-N 0 0 314.429 3.152 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000343238170 527270649 /nfs/dbraw/zinc/27/06/49/527270649.db2.gz MQRHOZNZKRFWSK-LSDHHAIUSA-N 0 0 301.434 3.402 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H](C)CCSC ZINC000351076547 527278500 /nfs/dbraw/zinc/27/85/00/527278500.db2.gz SWUZPILWKCSYCS-LBPRGKRZSA-N 0 0 306.435 3.302 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NC1CCN(c2ccccn2)CC1 ZINC000180558691 527290526 /nfs/dbraw/zinc/29/05/26/527290526.db2.gz IILLOUNKIOSJAS-HNNXBMFYSA-N 0 0 316.449 3.094 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000337862510 527290962 /nfs/dbraw/zinc/29/09/62/527290962.db2.gz NYVPYMMREATZLJ-CQSZACIVSA-N 0 0 318.446 3.227 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000446461296 527292152 /nfs/dbraw/zinc/29/21/52/527292152.db2.gz FEJJAXFMMNXPLG-CMPLNLGQSA-N 0 0 318.343 3.068 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(CCC)C[C@H]1CCCCO1 ZINC000350796571 527305625 /nfs/dbraw/zinc/30/56/25/527305625.db2.gz OQOZWQCMTSZQGO-OAHLLOKOSA-N 0 0 304.438 3.127 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1Cc2ccccc2C2(CC2)C1 ZINC000351113152 527307312 /nfs/dbraw/zinc/30/73/12/527307312.db2.gz HQBSZKZOPKIAAG-UHFFFAOYSA-N 0 0 306.413 3.393 10 30 DGEERN C=CCCN(C)C(=O)Cc1c(F)ccc(Br)c1F ZINC000337016861 527308195 /nfs/dbraw/zinc/30/81/95/527308195.db2.gz RRUGFTJJQKXNMU-UHFFFAOYSA-N 0 0 318.161 3.304 10 30 DGEERN C=CCCN(C)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000433785911 527312911 /nfs/dbraw/zinc/31/29/11/527312911.db2.gz LBUNHFULLBIYBU-UHFFFAOYSA-N 0 0 302.353 3.266 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)C[C@@H]1CCCCO1 ZINC000337877351 527315545 /nfs/dbraw/zinc/31/55/45/527315545.db2.gz ZVJRKCSQCZYXID-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(CCCc2cccs2)nnc1N(C)C1CC1 ZINC000350752596 527318810 /nfs/dbraw/zinc/31/88/10/527318810.db2.gz QKMMXYFFCUMXEK-UHFFFAOYSA-N 0 0 302.447 3.300 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](C)C1 ZINC000337819591 527319650 /nfs/dbraw/zinc/31/96/50/527319650.db2.gz QWGGLRZIZQEUSF-CQSZACIVSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)Cc1ccoc1 ZINC000337913731 527319880 /nfs/dbraw/zinc/31/98/80/527319880.db2.gz RJOQHVQEABVHQG-UHFFFAOYSA-N 0 0 312.373 3.072 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC(C(C)(C)C)CC1 ZINC000337858062 527322894 /nfs/dbraw/zinc/32/28/94/527322894.db2.gz MFFMUJKXHPDMJD-UHFFFAOYSA-N 0 0 306.454 3.263 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000351078669 527327380 /nfs/dbraw/zinc/32/73/80/527327380.db2.gz YVBALSBXORYCJC-OAHLLOKOSA-N 0 0 323.444 3.219 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C)C1 ZINC000337876697 527328132 /nfs/dbraw/zinc/32/81/32/527328132.db2.gz ZFVNAMSSXSTQHU-LBPRGKRZSA-N 0 0 320.487 3.058 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@](C)(OC)C1 ZINC000424131126 527351628 /nfs/dbraw/zinc/35/16/28/527351628.db2.gz VTPQSRHEVHFWML-BBRMVZONSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173415812 527372330 /nfs/dbraw/zinc/37/23/30/527372330.db2.gz MWQJGRWIIXCBRV-KBPBESRZSA-N 0 0 308.447 3.139 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000361420987 527375699 /nfs/dbraw/zinc/37/56/99/527375699.db2.gz DNBNLAILDLRFOL-KSSFIOAISA-N 0 0 305.393 3.297 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000337332129 527375951 /nfs/dbraw/zinc/37/59/51/527375951.db2.gz JDHRDUVSOSKLKI-YJBOKZPZSA-N 0 0 305.393 3.373 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC000442927122 527384520 /nfs/dbraw/zinc/38/45/20/527384520.db2.gz SXVAAJXWIQPDAM-VIFPVBQESA-N 0 0 319.279 3.211 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000069313081 527386814 /nfs/dbraw/zinc/38/68/14/527386814.db2.gz TWHLUWLPZHEAQX-NSHDSACASA-N 0 0 311.403 3.153 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128845516 527392334 /nfs/dbraw/zinc/39/23/34/527392334.db2.gz CQNSFBBNBNSWEH-PBHICJAKSA-N 0 0 321.392 3.015 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435599344 527417711 /nfs/dbraw/zinc/41/77/11/527417711.db2.gz TVPQMXTWOMCEBF-WCQYABFASA-N 0 0 320.241 3.345 10 30 DGEERN C=CCCS(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000130377121 527418609 /nfs/dbraw/zinc/41/86/09/527418609.db2.gz VSHWFPNDFUTYON-SNVBAGLBSA-N 0 0 318.236 3.006 10 30 DGEERN C=C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000181377652 527420648 /nfs/dbraw/zinc/42/06/48/527420648.db2.gz BENAFAAXSWZHQB-GOEBONIOSA-N 0 0 310.401 3.218 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@@H]2CCc3cc(Cl)ccc32)C1=O ZINC000419957852 527461241 /nfs/dbraw/zinc/46/12/41/527461241.db2.gz VPXSBICJUDFWEN-UONOGXRCSA-N 0 0 304.777 3.214 10 30 DGEERN C=CCC[C@H](C(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000337025043 527463151 /nfs/dbraw/zinc/46/31/51/527463151.db2.gz 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/nfs/dbraw/zinc/51/49/29/527514929.db2.gz XZZXZZUJTKMZPX-UHFFFAOYSA-N 0 0 323.400 3.420 10 30 DGEERN C=CCN(C(=O)Cn1c2ccccc2nc1C(F)(F)F)C1CC1 ZINC000357947440 527537176 /nfs/dbraw/zinc/53/71/76/527537176.db2.gz ZHMAZBCUTOKXHH-UHFFFAOYSA-N 0 0 323.318 3.232 10 30 DGEERN C=CCN(C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)C1CC1 ZINC000367845446 527539315 /nfs/dbraw/zinc/53/93/15/527539315.db2.gz FECUZWMGKKTHSF-SJORKVTESA-N 0 0 300.402 3.267 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000354653788 527549162 /nfs/dbraw/zinc/54/91/62/527549162.db2.gz DCPSVAKXXNVRFA-QWHCGFSZSA-N 0 0 321.726 3.387 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000356288585 527550638 /nfs/dbraw/zinc/55/06/38/527550638.db2.gz YVHQIUKXGVGBFV-LJQANCHMSA-N 0 0 310.397 3.246 10 30 DGEERN C=CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1 ZINC000357529712 527552303 /nfs/dbraw/zinc/55/23/03/527552303.db2.gz VFFFAYNGPDXNBX-UHFFFAOYSA-N 0 0 301.777 3.316 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H](C)c1c(C)noc1C ZINC000133886366 527586283 /nfs/dbraw/zinc/58/62/83/527586283.db2.gz PUBOQMQLRKWHCZ-SECBINFHSA-N 0 0 304.312 3.362 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnn1-c1ccccc1 ZINC000348131572 527587864 /nfs/dbraw/zinc/58/78/64/527587864.db2.gz CPZXONHVPSSZJL-UHFFFAOYSA-N 0 0 309.291 3.063 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1nn(-c2ccccc2)cc1C ZINC000185356462 527590115 /nfs/dbraw/zinc/59/01/15/527590115.db2.gz IYADFJOUEPNWLV-UHFFFAOYSA-N 0 0 323.318 3.371 10 30 DGEERN C=CCN(CC=C)C(=O)CN(C)Cc1cc(Cl)ccc1F ZINC000444705123 527606419 /nfs/dbraw/zinc/60/64/19/527606419.db2.gz LZLPHOAZTIELTR-UHFFFAOYSA-N 0 0 310.800 3.112 10 30 DGEERN C=CCN(CC=C)C(=O)Cc1sccc1Br ZINC000294199179 527619311 /nfs/dbraw/zinc/61/93/11/527619311.db2.gz HHYYUUASXOXZDI-UHFFFAOYSA-N 0 0 300.221 3.254 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2cnn(C(C)(C)C)c2)no1 ZINC000347167417 527623914 /nfs/dbraw/zinc/62/39/14/527623914.db2.gz TVUFYNCKJAYFRA-MRXNPFEDSA-N 0 0 304.394 3.168 10 30 DGEERN CC(C)(C)C1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000172300304 527634887 /nfs/dbraw/zinc/63/48/87/527634887.db2.gz NHLVNSZHJYGDAU-UHFFFAOYSA-N 0 0 300.402 3.487 10 30 DGEERN C=CCN(CCC#N)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000292215956 527658249 /nfs/dbraw/zinc/65/82/49/527658249.db2.gz OTFHJOJHQMCYNL-HNNXBMFYSA-N 0 0 303.793 3.235 10 30 DGEERN CCCC1CCC(NC(=O)N2CCc3cncnc3C2)CC1 ZINC000329291904 528066588 /nfs/dbraw/zinc/06/65/88/528066588.db2.gz QZXPTTLSQBLHCM-UHFFFAOYSA-N 0 0 302.422 3.108 10 30 DGEERN CCCCCCCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374758735 528119471 /nfs/dbraw/zinc/11/94/71/528119471.db2.gz CVKCZSXHGQONGO-RDJZCZTQSA-N 0 0 311.466 3.031 10 30 DGEERN CCCCCCCCCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173547645 528122470 /nfs/dbraw/zinc/12/24/70/528122470.db2.gz UJRLDPMQHOMTGX-OAHLLOKOSA-N 0 0 322.453 3.154 10 30 DGEERN CC(C)C[C@H](C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000184657288 528453591 /nfs/dbraw/zinc/45/35/91/528453591.db2.gz CBKBIWPLNCCPBN-WMZOPIPTSA-N 0 0 313.445 3.078 10 30 DGEERN CC(C)Cn1ccnc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180224638 528735800 /nfs/dbraw/zinc/73/58/00/528735800.db2.gz BHOOAHNNLLGUOE-UHFFFAOYSA-N 0 0 308.385 3.347 10 30 DGEERN CCCn1nccc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000178539962 528895312 /nfs/dbraw/zinc/89/53/12/528895312.db2.gz XXBGTIXBLRZRIB-OAHLLOKOSA-N 0 0 311.389 3.460 10 30 DGEERN CC1(C)CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000174659811 528906355 /nfs/dbraw/zinc/90/63/55/528906355.db2.gz HOWBXEYZIQMOKF-UHFFFAOYSA-N 0 0 315.417 3.357 10 30 DGEERN CC1(C)CN(C(=O)c2ccnc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000194343085 529108905 /nfs/dbraw/zinc/10/89/05/529108905.db2.gz HDGZRWYBCSFBNO-LBPRGKRZSA-N 0 0 311.307 3.004 10 30 DGEERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177930992 529217251 /nfs/dbraw/zinc/21/72/51/529217251.db2.gz XJEGVPMZRRXUIJ-ZIAGYGMSSA-N 0 0 307.394 3.493 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC000190243543 546215776 /nfs/dbraw/zinc/21/57/76/546215776.db2.gz VPGURWZKRROHDA-LSDHHAIUSA-N 0 0 304.409 3.465 10 30 DGEERN CN(C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCC1 ZINC000328747794 546481408 /nfs/dbraw/zinc/48/14/08/546481408.db2.gz QFMRCRWGWNZZAX-ZDUSSCGKSA-N 0 0 318.465 3.284 10 30 DGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000328744382 546481595 /nfs/dbraw/zinc/48/15/95/546481595.db2.gz KMRAXAXIJNIKQR-VNQPRFMTSA-N 0 0 303.406 3.090 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCCOCC1 ZINC000329242875 546484067 /nfs/dbraw/zinc/48/40/67/546484067.db2.gz SNMWLGJENNHEGK-AVGNSLFASA-N 0 0 322.371 3.428 10 30 DGEERN CCC1CCC(NC(=O)c2cn(C)nc2[C@H]2CCOC2)CC1 ZINC000329859548 546493426 /nfs/dbraw/zinc/49/34/26/546493426.db2.gz OWIMOGNDSWAHBU-MOKVOYLWSA-N 0 0 305.422 3.197 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000330178218 546495662 /nfs/dbraw/zinc/49/56/62/546495662.db2.gz DLRKWXPAOOPYCD-NOOOWODRSA-N 0 0 308.344 3.036 10 30 DGEERN CCn1nc(NC(=O)N[C@H](C)c2csc(C)n2)cc1C1CC1 ZINC000330283888 546497361 /nfs/dbraw/zinc/49/73/61/546497361.db2.gz WSFMEPOMSXRCAY-SECBINFHSA-N 0 0 319.434 3.632 10 30 DGEERN C=CCOc1cc(OC)ccc1-c1nc(C[C@H]2CCCO2)no1 ZINC000349745271 546603875 /nfs/dbraw/zinc/60/38/75/546603875.db2.gz AOQIFQXUBKVRCE-CYBMUJFWSA-N 0 0 316.357 3.032 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000410069760 546769536 /nfs/dbraw/zinc/76/95/36/546769536.db2.gz HWAZBOGNHZXNIM-QGZVFWFLSA-N 0 0 303.446 3.360 10 30 DGEERN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000526135210 546968286 /nfs/dbraw/zinc/96/82/86/546968286.db2.gz GBZGALXCJCUQIS-HNNXBMFYSA-N 0 0 306.793 3.128 10 30 DGEERN CC(C)[C@@H](O)CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245032 549811334 /nfs/dbraw/zinc/81/13/34/549811334.db2.gz DLOWKAGSVATKNX-ZDUSSCGKSA-N 0 0 307.191 3.084 10 30 DGEERN C=CC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685962114 549810844 /nfs/dbraw/zinc/81/08/44/549810844.db2.gz UTOVPCUMDQBWKS-XJKSGUPXSA-N 0 0 319.401 3.240 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2c(C)cccc2C)c1 ZINC000730403493 574528777 /nfs/dbraw/zinc/52/87/77/574528777.db2.gz MHXYLDYZTKYIPE-UHFFFAOYSA-N 0 0 324.376 3.438 10 30 DGEERN C#CCOc1cccc(COC(=O)c2sc(CC)nc2C)c1 ZINC000730404556 574528781 /nfs/dbraw/zinc/52/87/81/574528781.db2.gz GIOFUZYAMWQWPY-UHFFFAOYSA-N 0 0 315.394 3.383 10 30 DGEERN C#CCOc1cccc(OS(=O)(=O)c2cc(C)sc2C)c1 ZINC000730574424 574532330 /nfs/dbraw/zinc/53/23/30/574532330.db2.gz PCEULOAMVIVZPO-UHFFFAOYSA-N 0 0 322.407 3.145 10 30 DGEERN C#Cc1ccc(C(=O)N(CC)[C@H](C)Cc2ccc(OC)cc2)cn1 ZINC000731335039 574547424 /nfs/dbraw/zinc/54/74/24/574547424.db2.gz JUKFRGINTMCVHB-OAHLLOKOSA-N 0 0 322.408 3.165 10 30 DGEERN N#C[C@H](NC(=O)C1=COCCC1)c1cccc(C(F)(F)F)c1 ZINC000731645454 574554272 /nfs/dbraw/zinc/55/42/72/574554272.db2.gz MPZNKKHBHCHYTN-ZDUSSCGKSA-N 0 0 310.275 3.081 10 30 DGEERN O=C1c2cc(F)ccc2OC/C1=C\c1ccc(-n2cncn2)cc1 ZINC000731565163 574551898 /nfs/dbraw/zinc/55/18/98/574551898.db2.gz GXXVRIYJISFBJO-NTUHNPAUSA-N 0 0 321.311 3.065 10 30 DGEERN Cc1c(C(=O)/C=C\c2cnn3ccccc23)c(C#N)c2n1CCC2 ZINC000731936790 574563188 /nfs/dbraw/zinc/56/31/88/574563188.db2.gz COGXDCASJGUVOI-FPLPWBNLSA-N 0 0 316.364 3.158 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)/C=C\C2CCOCC2)cc1 ZINC000732709462 574579331 /nfs/dbraw/zinc/57/93/31/574579331.db2.gz ATTTXOPBFQCNKK-NOKKCYSASA-N 0 0 314.381 3.286 10 30 DGEERN CCCCCC[C@@H](C)CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732649309 574577781 /nfs/dbraw/zinc/57/77/81/574577781.db2.gz FEHQQYRSSJLGGX-WBVHZDCISA-N 0 0 305.466 3.182 10 30 DGEERN CCCCC1CCC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000732652384 574578073 /nfs/dbraw/zinc/57/80/73/574578073.db2.gz YPMDRXVBFARBTJ-HTWSVDAQSA-N 0 0 317.477 3.182 10 30 DGEERN C=CCCOCC(=O)OCc1cc(Br)cs1 ZINC000733219796 574608332 /nfs/dbraw/zinc/60/83/32/574608332.db2.gz CMBPGRPPLJFALO-UHFFFAOYSA-N 0 0 305.193 3.147 10 30 DGEERN C#CCCNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000733246805 574609759 /nfs/dbraw/zinc/60/97/59/574609759.db2.gz FPVVVVJANZRTKA-UHFFFAOYSA-N 0 0 314.410 3.350 10 30 DGEERN C#CCCNC(=O)c1csc(-c2ccc(OCCC)cc2)n1 ZINC000733246177 574609781 /nfs/dbraw/zinc/60/97/81/574609781.db2.gz HTARCHAICJRGTO-UHFFFAOYSA-N 0 0 314.410 3.352 10 30 DGEERN C#CCCNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000733247984 574610149 /nfs/dbraw/zinc/61/01/49/574610149.db2.gz UZZAGCADDULRIM-UHFFFAOYSA-N 0 0 320.230 3.400 10 30 DGEERN C#CCCNC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000733347063 574617332 /nfs/dbraw/zinc/61/73/32/574617332.db2.gz ZQTGELABLBMLMY-UHFFFAOYSA-N 0 0 312.335 3.306 10 30 DGEERN C#CCCNC(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000733337112 574617353 /nfs/dbraw/zinc/61/73/53/574617353.db2.gz HHBFUFQIBXHHCT-LBPRGKRZSA-N 0 0 300.358 3.215 10 30 DGEERN C=C(COC(=O)C1(c2cccc(C)c2)CCC1)C(=O)OCC ZINC000734026000 574647386 /nfs/dbraw/zinc/64/73/86/574647386.db2.gz CFWGLEZAWZDNHC-UHFFFAOYSA-N 0 0 302.370 3.079 10 30 DGEERN C=C(COC(=O)c1sc2nccc(C)c2c1C)C(=O)OCC ZINC000734028995 574647541 /nfs/dbraw/zinc/64/75/41/574647541.db2.gz OQOWFVXOIBNWHX-UHFFFAOYSA-N 0 0 319.382 3.189 10 30 DGEERN C=C(COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C(=O)OCC ZINC000734022850 574648377 /nfs/dbraw/zinc/64/83/77/574648377.db2.gz KSXAXUWMWOCWGK-XJKSGUPXSA-N 0 0 304.386 3.479 10 30 DGEERN C=C(COC(=O)c1csc2c1CC[C@H](C)C2)C(=O)OCC ZINC000734023321 574648386 /nfs/dbraw/zinc/64/83/86/574648386.db2.gz RVHSHKLJWHJPIJ-JTQLQIEISA-N 0 0 308.399 3.149 10 30 DGEERN C=C(COC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)OCC ZINC000734023322 574648486 /nfs/dbraw/zinc/64/84/86/574648486.db2.gz RVHSHKLJWHJPIJ-SNVBAGLBSA-N 0 0 308.399 3.149 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000734166864 574653684 /nfs/dbraw/zinc/65/36/84/574653684.db2.gz GUNYGQXFTUVVEI-ROUUACIJSA-N 0 0 320.392 3.054 10 30 DGEERN CSC[C@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735350245 574699205 /nfs/dbraw/zinc/69/92/05/574699205.db2.gz LXFCQUUVVLXMGQ-JTQLQIEISA-N 0 0 313.806 3.285 10 30 DGEERN C=CCCCN(C)C(=S)Nc1ccc2c(c1)OCCCO2 ZINC000736450216 574754220 /nfs/dbraw/zinc/75/42/20/574754220.db2.gz NECICLVVOCJTFT-UHFFFAOYSA-N 0 0 306.431 3.443 10 30 DGEERN C=CCCCN(C)Cn1ncn(-c2ccccc2F)c1=S ZINC000736590644 574759802 /nfs/dbraw/zinc/75/98/02/574759802.db2.gz ZJOQDLSQWRLRSQ-UHFFFAOYSA-N 0 0 306.410 3.398 10 30 DGEERN COc1cccc(Cl)c1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302747424 574812190 /nfs/dbraw/zinc/81/21/90/574812190.db2.gz GDEWCLXZZDMQDD-UHFFFAOYSA-N 0 0 318.720 3.136 10 30 DGEERN C=CCOc1ccccc1C=NNCCc1ccc(OC)cc1 ZINC000737440956 574844037 /nfs/dbraw/zinc/84/40/37/574844037.db2.gz UOZRGULLWACJFL-UHFFFAOYSA-N 0 0 310.397 3.426 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)CC/C=C\c1ccccc1 ZINC000738677117 574877834 /nfs/dbraw/zinc/87/78/34/574877834.db2.gz NMDNGKNMUZDXDO-WQLSENKSSA-N 0 0 315.413 3.448 10 30 DGEERN C[C@H](OC(=O)c1sccc1C#N)c1ccc2c(c1)CC(=O)N2 ZINC000741114407 574950893 /nfs/dbraw/zinc/95/08/93/574950893.db2.gz URGVYIKPXPKZEN-VIFPVBQESA-N 0 0 312.350 3.032 10 30 DGEERN C[C@@H](OC(=O)c1sccc1C#N)c1ccc2c(c1)CC(=O)N2 ZINC000741114406 574950948 /nfs/dbraw/zinc/95/09/48/574950948.db2.gz URGVYIKPXPKZEN-SECBINFHSA-N 0 0 312.350 3.032 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000741527956 574961561 /nfs/dbraw/zinc/96/15/61/574961561.db2.gz GMGRSVWFSDUQPG-HUUCEWRRSA-N 0 0 322.449 3.271 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CC[C@@H]2O ZINC000030725574 571742060 /nfs/dbraw/zinc/74/20/60/571742060.db2.gz TXNCGXATKOMEQC-KOUJMVCDSA-N 0 0 302.414 3.058 10 30 endogenous,in-man DGEERN C#Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000728937346 575196375 /nfs/dbraw/zinc/19/63/75/575196375.db2.gz LEWINEYCALUKPL-LBPRGKRZSA-N 0 0 319.320 3.031 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)/C=C(/CC)c1ccccc1 ZINC000729015872 575208717 /nfs/dbraw/zinc/20/87/17/575208717.db2.gz TXRWZNIAFGKIEK-VBKFSLOCSA-N 0 0 315.413 3.448 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCc1cccnc1 ZINC000729803955 575263340 /nfs/dbraw/zinc/26/33/40/575263340.db2.gz RWLSLVZXMOBSJQ-GOSISDBHSA-N 0 0 324.380 3.143 10 30 DGEERN N#Cc1ccc(CNC(=O)C(F)(F)c2ccc(F)cc2)c(F)c1 ZINC000729832905 575263633 /nfs/dbraw/zinc/26/36/33/575263633.db2.gz SEGMVNMAFZMNFJ-UHFFFAOYSA-N 0 0 322.261 3.245 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc(Cl)nc2)c(F)c1 ZINC000729856852 575264511 /nfs/dbraw/zinc/26/45/11/575264511.db2.gz JSCKUSFNJDJREX-UHFFFAOYSA-N 0 0 304.712 3.067 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)CCCn1cccn1 ZINC000729888396 575265411 /nfs/dbraw/zinc/26/54/11/575265411.db2.gz IFSIBHCGKJNIAE-UHFFFAOYSA-N 0 0 314.385 3.396 10 30 DGEERN CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(O)cc1F ZINC000729932653 575266967 /nfs/dbraw/zinc/26/69/67/575266967.db2.gz NLHLEHACGADARI-UHFFFAOYSA-N 0 0 321.352 3.381 10 30 DGEERN C#Cc1cccc(NC(=S)Nc2ccc(N3CCCC3)nc2)c1 ZINC000726454310 576023465 /nfs/dbraw/zinc/02/34/65/576023465.db2.gz YZTAOSLBQOWCPG-UHFFFAOYSA-N 0 0 322.437 3.472 10 30 DGEERN C=CCNC(=O)[C@H](C)OC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000727213802 576112478 /nfs/dbraw/zinc/11/24/78/576112478.db2.gz OVXDNLRJNDLUDX-ZFWWWQNUSA-N 0 0 321.442 3.037 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(C)n(C)n2)c1 ZINC000728182545 576166841 /nfs/dbraw/zinc/16/68/41/576166841.db2.gz WXMTUCCVSFYXAS-UHFFFAOYSA-N 0 0 319.364 3.150 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C)nc1 ZINC000728807147 576206930 /nfs/dbraw/zinc/20/69/30/576206930.db2.gz LBRMOCLTQBRJFX-UHFFFAOYSA-N 0 0 316.364 3.118 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000728825025 576210616 /nfs/dbraw/zinc/21/06/16/576210616.db2.gz ZYRRJZKJQKBMSE-HNNXBMFYSA-N 0 0 318.298 3.439 10 30 DGEERN C#CCOc1ccc(C(=O)N(CCC)C[C@@H]2CCCCO2)cc1 ZINC000154768373 620716426 /nfs/dbraw/zinc/71/64/26/620716426.db2.gz AFBGTFJQSGTBAU-SFHVURJKSA-N 0 0 315.413 3.120 10 30 DGEERN C#CCCCCNC(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000155038759 620758052 /nfs/dbraw/zinc/75/80/52/620758052.db2.gz ZQPTYCBVBBUQPC-JKSUJKDBSA-N 0 0 306.450 3.169 10 30 DGEERN COc1ccc(OCCCC(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000154190385 618090531 /nfs/dbraw/zinc/09/05/31/618090531.db2.gz RAPKLQKNCMUMBO-OAHLLOKOSA-N 0 0 305.374 3.336 10 30 DGEERN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](C)c1nc(CC)cs1 ZINC000910743070 620311276 /nfs/dbraw/zinc/31/12/76/620311276.db2.gz UUKVEUPIMLWSKD-MRVWCRGKSA-N 0 0 308.447 3.254 10 30 DGEERN C=CCC(CC=C)C(=O)Oc1cc(OC)ccc1C(=O)OC ZINC000151140194 620425745 /nfs/dbraw/zinc/42/57/45/620425745.db2.gz MQZNIYKNFXTTGH-UHFFFAOYSA-N 0 0 304.342 3.156 10 30 DGEERN C=CCC(CC=C)C(=O)O[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000151541248 620457760 /nfs/dbraw/zinc/45/77/60/620457760.db2.gz GFMHUNPIHMCRLY-AWEZNQCLSA-N 0 0 309.406 3.307 10 30 DGEERN C=CCC(CC=C)C(=O)OC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000151575723 620463791 /nfs/dbraw/zinc/46/37/91/620463791.db2.gz VBXMGUAPRRGWMC-OAHLLOKOSA-N 0 0 313.397 3.351 10 30 DGEERN Cc1cc(S(=O)(=O)Oc2cccc(F)c2C#N)c(C)s1 ZINC000151735508 620472794 /nfs/dbraw/zinc/47/27/94/620472794.db2.gz ZKJFYUHPJQZKSR-UHFFFAOYSA-N 0 0 311.359 3.143 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)/C=C/c1ccnc(Cl)c1 ZINC000151829114 620476291 /nfs/dbraw/zinc/47/62/91/620476291.db2.gz XTFDVHIBHKMOAL-HWKANZROSA-N 0 0 314.728 3.234 10 30 DGEERN C=CCc1ccccc1OC(=O)CCc1cccc(C(=O)NC)c1 ZINC000152127819 620493736 /nfs/dbraw/zinc/49/37/36/620493736.db2.gz DGOYCTDFSWOMPE-UHFFFAOYSA-N 0 0 323.392 3.313 10 30 DGEERN C#C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000152548645 620511827 /nfs/dbraw/zinc/51/18/27/620511827.db2.gz ZSPYCDFOKWILMN-GFCCVEGCSA-N 0 0 313.231 3.182 10 30 DGEERN C#C[C@@H](OC(=O)c1cc(CC=C)c(OC)c(OC)c1)C1CC1 ZINC000152821308 620524869 /nfs/dbraw/zinc/52/48/69/620524869.db2.gz RNGIHILNKJGTCV-OAHLLOKOSA-N 0 0 300.354 3.001 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000112582136 620834005 /nfs/dbraw/zinc/83/40/05/620834005.db2.gz QYWKVVZLONGJMH-LSDHHAIUSA-N 0 0 302.370 3.199 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000112817393 620856219 /nfs/dbraw/zinc/85/62/19/620856219.db2.gz QUWAJXRWALZOLQ-LSDHHAIUSA-N 0 0 302.370 3.199 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(-c2ncon2)cc1)c1ccccn1 ZINC000113661413 620935197 /nfs/dbraw/zinc/93/51/97/620935197.db2.gz PPHHETPOFFVLNR-MRXNPFEDSA-N 0 0 319.320 3.053 10 30 DGEERN C=CCc1ccc(OCC(=O)OCc2ccoc2C)c(OC)c1 ZINC000113678031 620936211 /nfs/dbraw/zinc/93/62/11/620936211.db2.gz YVTXSVCHSMHRNU-UHFFFAOYSA-N 0 0 316.353 3.447 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)CCCC(=O)NC(C)C ZINC000118912199 621580997 /nfs/dbraw/zinc/58/09/97/621580997.db2.gz SWUDEDXMUJWKQO-UHFFFAOYSA-N 0 0 319.401 3.024 10 30 DGEERN C#CCCCCC(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000119750897 621722121 /nfs/dbraw/zinc/72/21/21/621722121.db2.gz PMQKNJPYMLVHFF-UHFFFAOYSA-N 0 0 300.358 3.303 10 30 DGEERN C#CCN(C(=O)N[C@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000120671337 621968357 /nfs/dbraw/zinc/96/83/57/621968357.db2.gz LNJJITAYPOWPSW-KRWDZBQOSA-N 0 0 300.377 3.400 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000121618343 622167111 /nfs/dbraw/zinc/16/71/11/622167111.db2.gz BXNJCADOCSUMAZ-CQSZACIVSA-N 0 0 303.749 3.231 10 30 DGEERN C=C[C@H](CC(=O)OCCCn1ccccc1=O)c1ccccc1 ZINC000123954359 622805801 /nfs/dbraw/zinc/80/58/01/622805801.db2.gz CPQWIKAQBYGTGF-MRXNPFEDSA-N 0 0 311.381 3.142 10 30 DGEERN C=CCOCCCC(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000125789514 623551530 /nfs/dbraw/zinc/55/15/30/623551530.db2.gz ZYJHFJDBDZIAHB-MRXNPFEDSA-N 0 0 304.390 3.234 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000129550885 625677659 /nfs/dbraw/zinc/67/76/59/625677659.db2.gz KTPXIMBALXNACO-UHFFFAOYSA-N 0 0 323.274 3.008 10 30 DGEERN C[C@@H](OC(=O)Cc1ccccc1Br)C(C)(C)C#N ZINC000130410750 625847728 /nfs/dbraw/zinc/84/77/28/625847728.db2.gz FVCZTILWRYYGRL-SNVBAGLBSA-N 0 0 310.191 3.473 10 30 DGEERN COc1ccc2c(CC(=O)O[C@H](C)C(C)(C)C#N)coc2c1 ZINC000130486614 625861879 /nfs/dbraw/zinc/86/18/79/625861879.db2.gz PJATUUFXBRPOGY-LLVKDONJSA-N 0 0 301.342 3.465 10 30 DGEERN CCOCCC1(C(=O)OCC#Cc2cccc(OC)c2)CCC1 ZINC000130550589 625868726 /nfs/dbraw/zinc/86/87/26/625868726.db2.gz IFMDCLLXTNWZDB-UHFFFAOYSA-N 0 0 316.397 3.187 10 30 DGEERN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCSC)cc1 ZINC000131012831 625931650 /nfs/dbraw/zinc/93/16/50/625931650.db2.gz DKAXPSGSJGYJAJ-AWEZNQCLSA-N 0 0 304.415 3.040 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1Cc2ccccc2C1 ZINC000131147519 625950940 /nfs/dbraw/zinc/95/09/40/625950940.db2.gz XEWSGOPQDWTOIP-UHFFFAOYSA-N 0 0 315.380 3.099 10 30 DGEERN CC(C)c1noc2ncc(C(=O)O[C@@H](C)C(C)(C)C#N)cc21 ZINC000131707392 626671252 /nfs/dbraw/zinc/67/12/52/626671252.db2.gz MFAQUHSDQBBPLL-JTQLQIEISA-N 0 0 301.346 3.441 10 30 DGEERN COc1ccc(N(C)Cc2ccc(OC)c(C#N)c2)c(OC)c1 ZINC000131921722 626688869 /nfs/dbraw/zinc/68/88/69/626688869.db2.gz SEVYLSOGOGKONK-UHFFFAOYSA-N 0 0 312.369 3.220 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cc(S(C)(=O)=O)cs1)C1CC1 ZINC000133057724 626762742 /nfs/dbraw/zinc/76/27/42/626762742.db2.gz JIYZPXOJHDUVSW-GFCCVEGCSA-N 0 0 314.428 3.053 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nc(C2CCCC2)no1)C1CC1 ZINC000135274932 626918702 /nfs/dbraw/zinc/91/87/02/626918702.db2.gz XPGVGQJDMQBAGH-CQSZACIVSA-N 0 0 302.374 3.005 10 30 DGEERN C=CCOc1ccc([C@H]2Nc3ccc(OC)cc3C(=O)N2C)cc1 ZINC000102418206 630104549 /nfs/dbraw/zinc/10/45/49/630104549.db2.gz ANYBCWLYZFAUEC-SFHVURJKSA-N 0 0 324.380 3.456 10 30 DGEERN COc1cccc(C#CCOC(=O)Cc2c(F)cccc2F)c1 ZINC000121590203 631199670 /nfs/dbraw/zinc/19/96/70/631199670.db2.gz QGDSSVVVFANHBE-UHFFFAOYSA-N 0 0 316.303 3.111 10 30 DGEERN C=C(Br)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094276 632057861 /nfs/dbraw/zinc/05/78/61/632057861.db2.gz JDFJXKSEQLVAML-ZJUUUORDSA-N 0 0 316.145 3.093 10 30 DGEERN COCCOCc1cc(C(=O)OCC(C)(C)CC#N)ccc1F ZINC000184782510 660186615 /nfs/dbraw/zinc/18/66/15/660186615.db2.gz IZINUPAYQCIXDC-UHFFFAOYSA-N 0 0 323.364 3.085 10 30 DGEERN COc1ccc(CCC(=O)OCC(C)(C)CC#N)cc1OC ZINC000184779798 660186680 /nfs/dbraw/zinc/18/66/80/660186680.db2.gz GDILKABWXUAFPD-UHFFFAOYSA-N 0 0 305.374 3.119 10 30 DGEERN C#CCOc1cccc(COC(=O)/C=C/c2ncccc2C)c1 ZINC000185275231 660212896 /nfs/dbraw/zinc/21/28/96/660212896.db2.gz ZFKAAVFOIKFEOS-MDZDMXLPSA-N 0 0 307.349 3.159 10 30 DGEERN C=CCCC(=O)OCc1cc(=O)c(OCc2ccccc2)co1 ZINC000185296781 660213893 /nfs/dbraw/zinc/21/38/93/660213893.db2.gz XFDNOPCXWHKIRB-UHFFFAOYSA-N 0 0 314.337 3.228 10 30 DGEERN Cc1cccnc1/C=C/C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000185318385 660215105 /nfs/dbraw/zinc/21/51/05/660215105.db2.gz WATFERBGQKNPCR-PSKZRQQASA-N 0 0 312.394 3.390 10 30 DGEERN C#CCC(C)(C)COC(=O)c1ncccc1OCC(F)(F)F ZINC000185347298 660217236 /nfs/dbraw/zinc/21/72/36/660217236.db2.gz YYLMZUQIMLNRKZ-UHFFFAOYSA-N 0 0 315.291 3.229 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000185376458 660219175 /nfs/dbraw/zinc/21/91/75/660219175.db2.gz UIUUSCDUYDSISL-UHFFFAOYSA-N 0 0 310.397 3.398 10 30 DGEERN C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000073091437 660239873 /nfs/dbraw/zinc/23/98/73/660239873.db2.gz FKHVYANLVNGQBV-AWEZNQCLSA-N 0 0 314.385 3.055 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Oc1cccc(C)c1)c1ccccn1 ZINC000073294389 660261391 /nfs/dbraw/zinc/26/13/91/660261391.db2.gz VGJKOCBOYJBEMW-YJBOKZPZSA-N 0 0 309.365 3.465 10 30 DGEERN CC(C)OC[C@@H](O)CNc1ccccc1S[C@@H](C)CC#N ZINC000186069713 660264927 /nfs/dbraw/zinc/26/49/27/660264927.db2.gz DNKLBBLFMOGACE-KBPBESRZSA-N 0 0 308.447 3.279 10 30 DGEERN CC(C)OC[C@H](O)CNc1ccccc1S[C@@H](C)CC#N ZINC000186069693 660265026 /nfs/dbraw/zinc/26/50/26/660265026.db2.gz DNKLBBLFMOGACE-UONOGXRCSA-N 0 0 308.447 3.279 10 30 DGEERN C=CCOc1ccc(COC(=O)c2cnn(CCC)c2)cc1 ZINC000186194589 660338705 /nfs/dbraw/zinc/33/87/05/660338705.db2.gz LWYNKLRPTBPNJC-UHFFFAOYSA-N 0 0 300.358 3.215 10 30 DGEERN O=C(C#Cc1ccccc1)NCc1nc2ccccc2n1C1CC1 ZINC000186269005 660356268 /nfs/dbraw/zinc/35/62/68/660356268.db2.gz MPRPFEVKDUMEGV-UHFFFAOYSA-N 0 0 315.376 3.039 10 30 DGEERN C#CCNC(=O)N[C@H](C)c1ccc(OCCC)c(OCCC)c1 ZINC000073258304 660447075 /nfs/dbraw/zinc/44/70/75/660447075.db2.gz FMJPPWNIWNFHQL-CQSZACIVSA-N 0 0 318.417 3.258 10 30 DGEERN C#C[C@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000700589756 660630173 /nfs/dbraw/zinc/63/01/73/660630173.db2.gz NMNBDDBXFAWNMR-ZDUSSCGKSA-N 0 0 307.846 3.445 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700941663 660647017 /nfs/dbraw/zinc/64/70/17/660647017.db2.gz QMDVHCBPKGIKBY-VIFPVBQESA-N 0 0 313.170 3.021 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000704241657 660806440 /nfs/dbraw/zinc/80/64/40/660806440.db2.gz SVVIIMZWDCCDKE-LLVKDONJSA-N 0 0 302.424 3.357 10 30 DGEERN C#CC[C@H](OC(=O)c1cn(CCCC)nc1C)c1ccccn1 ZINC000187501479 655550389 /nfs/dbraw/zinc/55/03/89/655550389.db2.gz OBIDNLXAPWVSDI-KRWDZBQOSA-N 0 0 311.385 3.308 10 30 DGEERN CCOc1ccc(O)c(/C=N\[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000255077464 655592699 /nfs/dbraw/zinc/59/26/99/655592699.db2.gz HMWONXIGNZVRMT-XHEYCZLTSA-N 0 0 315.417 3.191 10 30 DGEERN Cc1csc(=Nc2ccccc2C#N)n1[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000255130838 655607996 /nfs/dbraw/zinc/60/79/96/655607996.db2.gz JBZUPLHPJZWJAU-BMFZPTHFSA-N 0 0 311.410 3.455 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C(C)C ZINC000177718341 655628599 /nfs/dbraw/zinc/62/85/99/655628599.db2.gz BFPVIZDGOZJYPE-PBHICJAKSA-N 0 0 302.370 3.248 10 30 DGEERN C=C[C@H](C)OC(=O)CSc1nnc(-c2cccs2)n1CC ZINC000187637688 655650088 /nfs/dbraw/zinc/65/00/88/655650088.db2.gz JWKUMWYCXUVVIL-JTQLQIEISA-N 0 0 323.443 3.236 10 30 DGEERN C#CCN(C(=O)c1csc(Br)c1)C(C)(C)C ZINC000723037854 655654262 /nfs/dbraw/zinc/65/42/62/655654262.db2.gz YNDXEGLSDFPMKX-UHFFFAOYSA-N 0 0 300.221 3.385 10 30 DGEERN N#Cc1ccc(CN2CCS[C@H](C(F)(F)F)C2)cc1F ZINC000721449627 655655910 /nfs/dbraw/zinc/65/59/10/655655910.db2.gz NBGOUGDIICDELA-LBPRGKRZSA-N 0 0 304.312 3.177 10 30 DGEERN Cc1ncccc1/C=C1\COC/C(=C/c2cccnc2C)C1=O ZINC000255355802 655705412 /nfs/dbraw/zinc/70/54/12/655705412.db2.gz HFPGCGZVHVNFLL-BUOZRGFLSA-N 0 0 306.365 3.160 10 30 DGEERN N#C[C@@H](OC(=O)/C=C/c1ccccc1OC(F)(F)F)C1CC1 ZINC000176078545 655732121 /nfs/dbraw/zinc/73/21/21/655732121.db2.gz WKDCAXAKEODGST-SBDDDAINSA-N 0 0 311.259 3.444 10 30 DGEERN Cn1cc(C#N)cc1C(=O)O[C@@H](c1ccccc1)c1cccnc1 ZINC000176131318 655741026 /nfs/dbraw/zinc/74/10/26/655741026.db2.gz WNIRPCIBRGIQRT-SFHVURJKSA-N 0 0 317.348 3.238 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000072068530 655764746 /nfs/dbraw/zinc/76/47/46/655764746.db2.gz UYNAUBWYHCQEBL-UHFFFAOYSA-N 0 0 312.281 3.003 10 30 DGEERN N#Cc1ccc(NS(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000176672730 655779608 /nfs/dbraw/zinc/77/96/08/655779608.db2.gz IHJDTPLOTHVVFR-MDZDMXLPSA-N 0 0 302.330 3.110 10 30 DGEERN Cc1ccc(C#N)cc1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176697891 655785777 /nfs/dbraw/zinc/78/57/77/655785777.db2.gz SWWVGUQHWOQYFU-CMDGGOBGSA-N 0 0 316.357 3.418 10 30 DGEERN CCc1ccc(C=NOCC(=O)Nc2ccccc2OC)cc1 ZINC000255520426 655789818 /nfs/dbraw/zinc/78/98/18/655789818.db2.gz MGHQLJNQMBSLOI-UHFFFAOYSA-N 0 0 312.369 3.247 10 30 DGEERN C[C@@H](NC(=O)[C@H](C)ON=Cc1cccs1)c1ccccc1 ZINC000255538779 655793034 /nfs/dbraw/zinc/79/30/34/655793034.db2.gz DDZMYYBBRLAZHY-OLZOCXBDSA-N 0 0 302.399 3.365 10 30 DGEERN CCOc1cc2c(cc1/C=C\C(=O)OCCCC#N)O[C@H](C)C2 ZINC000255548760 655794365 /nfs/dbraw/zinc/79/43/65/655794365.db2.gz HUWLUSCPZXIZFV-FMFIFOJESA-N 0 0 315.369 3.269 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000187583940 655809289 /nfs/dbraw/zinc/80/92/89/655809289.db2.gz OVKYEJIIKBRLSO-ACJLOTCBSA-N 0 0 320.385 3.291 10 30 DGEERN C#CCN(Cc1noc(Cc2ccccc2C)n1)C1CCCC1 ZINC000155883410 655810833 /nfs/dbraw/zinc/81/08/33/655810833.db2.gz WEGYXLZRKDEAIZ-UHFFFAOYSA-N 0 0 309.413 3.347 10 30 DGEERN C=CCN(C)C(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000161739572 655814103 /nfs/dbraw/zinc/81/41/03/655814103.db2.gz DUQCTHOVUDRYCT-GWJCSSMESA-N 0 0 301.386 3.066 10 30 DGEERN C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000246951968 655827722 /nfs/dbraw/zinc/82/77/22/655827722.db2.gz SKYAFYIUVSTMBB-MSOLQXFVSA-N 0 0 317.429 3.273 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000065655279 655848110 /nfs/dbraw/zinc/84/81/10/655848110.db2.gz VLJITOITWOAZDV-KGLIPLIRSA-N 0 0 320.385 3.261 10 30 DGEERN N#Cc1cc(NS(=O)(=O)/C=C\c2ccccc2)ccc1F ZINC000255621070 655877311 /nfs/dbraw/zinc/87/73/11/655877311.db2.gz PNAPVLQJZRWATG-HJWRWDBZSA-N 0 0 302.330 3.110 10 30 DGEERN Cc1ccc([C@H](C)OC(=O)c2ccc(C#N)cn2)cc1[N+](=O)[O-] ZINC000176942817 655879710 /nfs/dbraw/zinc/87/97/10/655879710.db2.gz KEWZTPICLWSKLZ-NSHDSACASA-N 0 0 311.297 3.088 10 30 DGEERN C[C@@H](Oc1cccc(Br)c1)C(=O)O[C@H](C#N)C1CC1 ZINC000177015839 655886805 /nfs/dbraw/zinc/88/68/05/655886805.db2.gz GWIAVUSLHVPOEE-NOZJJQNGSA-N 0 0 324.174 3.062 10 30 DGEERN N#C[C@@H](OC(=O)CCc1cccc(Br)c1)C1CC1 ZINC000177040452 655890001 /nfs/dbraw/zinc/89/00/01/655890001.db2.gz SYWSODVBCYEFQG-CYBMUJFWSA-N 0 0 308.175 3.227 10 30 DGEERN COC(=O)c1cnc(/C=C\c2ccc(O[C@H](C)C#N)cc2)s1 ZINC000255828188 655908148 /nfs/dbraw/zinc/90/81/48/655908148.db2.gz AVUHNHSJGWYBEL-UIJKISKDSA-N 0 0 314.366 3.391 10 30 DGEERN COc1cc(C(=O)/C=C\c2cccc3c2OCO3)ccc1F ZINC000255863348 655917218 /nfs/dbraw/zinc/91/72/18/655917218.db2.gz NFWKPCPFQDVVGF-VURMDHGXSA-N 0 0 300.285 3.459 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1cnn(-c2ccccc2)c1)C(C)C ZINC000177726624 655943401 /nfs/dbraw/zinc/94/34/01/655943401.db2.gz XZILEKMBWADHFB-GOSISDBHSA-N 0 0 310.397 3.396 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(C)C ZINC000177736575 655944050 /nfs/dbraw/zinc/94/40/50/655944050.db2.gz KJAYRRCGGLHULB-QGZVFWFLSA-N 0 0 313.397 3.014 10 30 DGEERN N#CCOc1cc(F)ccc1NC(=O)NCCc1ccsc1 ZINC000178155745 655956291 /nfs/dbraw/zinc/95/62/91/655956291.db2.gz NBYHBKFQHFDIAA-UHFFFAOYSA-N 0 0 319.361 3.154 10 30 DGEERN Cc1n[nH]c2cc(NC(=O)C=Cc3ccccc3C#N)ccc12 ZINC000180336523 655964613 /nfs/dbraw/zinc/96/46/13/655964613.db2.gz PYQFCRREILCVFJ-RMKNXTFCSA-N 0 0 302.337 3.395 10 30 DGEERN Cc1nn(C)c(C)c1CCCN=Cc1cc2ccccc2[nH]c1=O ZINC000180483505 655966154 /nfs/dbraw/zinc/96/61/54/655966154.db2.gz IUQIPSYLYOXBFQ-UDWIEESQSA-N 0 0 322.412 3.342 10 30 DGEERN C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000329157949 656087146 /nfs/dbraw/zinc/08/71/46/656087146.db2.gz CQRPIPYZWLQURA-XBVQOTNRSA-N 0 0 302.418 3.456 10 30 DGEERN C[C@@H](CC(=O)OCC1(C#N)CCOCC1)c1ccccc1F ZINC000183908301 656115901 /nfs/dbraw/zinc/11/59/01/656115901.db2.gz RFNJCSWSYFFANM-ZDUSSCGKSA-N 0 0 305.349 3.183 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000188110540 656143715 /nfs/dbraw/zinc/14/37/15/656143715.db2.gz CINFVGLGQSQCBG-GDBMZVCRSA-N 0 0 303.358 3.093 10 30 DGEERN C#CC[C@@H](COC)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000716842586 661229711 /nfs/dbraw/zinc/22/97/11/661229711.db2.gz IXAIZVWGCRYMKI-NSHDSACASA-N 0 0 301.173 3.153 10 30 DGEERN CC(C)(C)OC(=O)CCC(=O)OC[C@H](C#N)Cc1cccs1 ZINC000192820352 656182079 /nfs/dbraw/zinc/18/20/79/656182079.db2.gz FSMFVFJBRPMFQL-LBPRGKRZSA-N 0 0 323.414 3.095 10 30 DGEERN CC(=O)N[C@@H](CC(=O)OCC(C)(C)CCC#N)c1ccccc1 ZINC000195076520 656208770 /nfs/dbraw/zinc/20/87/70/656208770.db2.gz CTOOKTVXLXXNPA-INIZCTEOSA-N 0 0 316.401 3.127 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@@H]1CCCN(C(=O)CCC)C1 ZINC000125248754 656268977 /nfs/dbraw/zinc/26/89/77/656268977.db2.gz GEMCHOKXRUJNDZ-MRXNPFEDSA-N 0 0 315.413 3.359 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)C1CCCC1 ZINC000163926317 657290788 /nfs/dbraw/zinc/29/07/88/657290788.db2.gz AHJXZFSTLPGGFI-LSDHHAIUSA-N 0 0 303.352 3.473 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)CCc1ccc(C#N)cc1 ZINC000191142716 657371245 /nfs/dbraw/zinc/37/12/45/657371245.db2.gz IXYFXHWGMDMJDU-SFHVURJKSA-N 0 0 301.386 3.263 10 30 DGEERN CCOC1CC(CC(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 ZINC000191030363 657386075 /nfs/dbraw/zinc/38/60/75/657386075.db2.gz QQUVPXIHXYWSRY-ISXOHVOVSA-N 0 0 319.376 3.256 10 30 DGEERN C=CCCCOC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000303652330 657555649 /nfs/dbraw/zinc/55/56/49/657555649.db2.gz BKMANXIFKFLKQT-ZDUSSCGKSA-N 0 0 319.426 3.271 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000191105157 657755239 /nfs/dbraw/zinc/75/52/39/657755239.db2.gz PXFPCQNYAFEAPS-INIZCTEOSA-N 0 0 307.346 3.289 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)C(C)C ZINC000177718352 658068300 /nfs/dbraw/zinc/06/83/00/658068300.db2.gz BFPVIZDGOZJYPE-WMLDXEAASA-N 0 0 302.370 3.248 10 30 DGEERN COc1ccccc1C=NNC(=S)Nc1ccc(F)cc1 ZINC000254420453 658092200 /nfs/dbraw/zinc/09/22/00/658092200.db2.gz TUNGSRQPKKSFRB-UHFFFAOYSA-N 0 0 303.362 3.155 10 30 DGEERN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccccc2C#N)C1 ZINC000008345835 658397769 /nfs/dbraw/zinc/39/77/69/658397769.db2.gz FRJLVIQHDJYXBH-OAHLLOKOSA-N 0 0 323.396 3.342 10 30 DGEERN Cc1c(C(=O)/C=C/c2cocn2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000191293298 658744485 /nfs/dbraw/zinc/74/44/85/658744485.db2.gz CNJKJDDDLNNWGW-ONEGZZNKSA-N 0 0 317.257 3.004 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000067801027 658745288 /nfs/dbraw/zinc/74/52/88/658745288.db2.gz VLJITOITWOAZDV-ZIAGYGMSSA-N 0 0 320.385 3.261 10 30 DGEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)CSC(C)(C)C)cc1 ZINC000128488492 658747927 /nfs/dbraw/zinc/74/79/27/658747927.db2.gz VTWZIZVEEZHZIF-CQSZACIVSA-N 0 0 318.442 3.428 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000436134449 658790930 /nfs/dbraw/zinc/79/09/30/658790930.db2.gz STYLMQDBCSBBIV-UHFFFAOYSA-N 0 0 324.359 3.234 10 30 DGEERN C#C[C@H](C)OC(=O)CCSc1ccc(Br)cc1 ZINC000174418907 658821216 /nfs/dbraw/zinc/82/12/16/658821216.db2.gz HUNVCISDGOLBPC-JTQLQIEISA-N 0 0 313.216 3.496 10 30 DGEERN C#CCN(C(=O)CSc1ccc(OC)cc1)C1CCCC1 ZINC000163854561 658902069 /nfs/dbraw/zinc/90/20/69/658902069.db2.gz KSHQTCBBSIQBHQ-UHFFFAOYSA-N 0 0 303.427 3.192 10 30 DGEERN C#CCN(C(=O)c1cccc(Br)c1)C1CCCC1 ZINC000163902890 658908271 /nfs/dbraw/zinc/90/82/71/658908271.db2.gz MMUFPLWFXIWRNP-UHFFFAOYSA-N 0 0 306.203 3.467 10 30 DGEERN C#CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000163987170 658911283 /nfs/dbraw/zinc/91/12/83/658911283.db2.gz PSWNXJXOOVVNQF-CABCVRRESA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000164345418 658929620 /nfs/dbraw/zinc/92/96/20/658929620.db2.gz NZFGPNYVURXLAQ-UHFFFAOYSA-N 0 0 318.398 3.091 10 30 DGEERN C=CCc1ccc(OC(=O)[C@@H](C)C2CCOCC2)c(OC)c1 ZINC000164992510 658961440 /nfs/dbraw/zinc/96/14/40/658961440.db2.gz BQOUCOHSOSZKED-ZDUSSCGKSA-N 0 0 304.386 3.392 10 30 DGEERN N#C[C@@H](COC(=O)CSCC(F)(F)F)Cc1ccccc1 ZINC000157021094 658977777 /nfs/dbraw/zinc/97/77/77/658977777.db2.gz RUNMQFVICAKULP-LBPRGKRZSA-N 0 0 317.332 3.208 10 30 DGEERN C#CCOCCC(=O)O[C@H](C)c1ccc(F)cc1OC(F)F ZINC000166821603 659058644 /nfs/dbraw/zinc/05/86/44/659058644.db2.gz UFMOEBJFZYORHB-SNVBAGLBSA-N 0 0 316.275 3.071 10 30 DGEERN CC(C)(C)c1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000228115253 659174913 /nfs/dbraw/zinc/17/49/13/659174913.db2.gz ZVGGGLKISSRVOY-CMPLNLGQSA-N 0 0 305.809 3.455 10 30 DGEERN CSCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000171482162 659281849 /nfs/dbraw/zinc/28/18/49/659281849.db2.gz IPGLTGXDLAQWTA-SECBINFHSA-N 0 0 309.341 3.361 10 30 DGEERN COc1ccccc1[C@H](O)CNc1ccc(Cl)cc1C#N ZINC000171562855 659288419 /nfs/dbraw/zinc/28/84/19/659288419.db2.gz JMQFGHRAXCWWOW-OAHLLOKOSA-N 0 0 302.761 3.366 10 30 DGEERN N#C[C@H](C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777055 659298001 /nfs/dbraw/zinc/29/80/01/659298001.db2.gz GCOMUGTYJZICFX-MAUKXSAKSA-N 0 0 324.424 3.264 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)/C=C/c1ccccc1C#N ZINC000172333294 659330011 /nfs/dbraw/zinc/33/00/11/659330011.db2.gz UTHYPJMQRONKIP-VQHVLOKHSA-N 0 0 311.772 3.278 10 30 DGEERN C#CCSCCNC(=O)c1sc(C2CCCC2)nc1C ZINC000173700155 659398249 /nfs/dbraw/zinc/39/82/49/659398249.db2.gz MCXWOPJKMSCADY-UHFFFAOYSA-N 0 0 308.472 3.205 10 30 DGEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc3cc[nH]c32)c1 ZINC000173964784 659406504 /nfs/dbraw/zinc/40/65/04/659406504.db2.gz VHFFXDZXTJBFLB-MRXNPFEDSA-N 0 0 317.348 3.438 10 30 DGEERN C=CCCO[C@H](C)C(=O)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000174373691 659429700 /nfs/dbraw/zinc/42/97/00/659429700.db2.gz ANSHNXPBJYPRDO-HZPDHXFCSA-N 0 0 303.402 3.037 10 30 DGEERN C=CCOCCCC(=O)OC[C@H]1CCN(c2ccccc2)C1 ZINC000174388285 659433343 /nfs/dbraw/zinc/43/33/43/659433343.db2.gz UMLHFVSWGHYANS-INIZCTEOSA-N 0 0 303.402 3.039 10 30 DGEERN C#C[C@@H](C)OC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000174420076 659433361 /nfs/dbraw/zinc/43/33/61/659433361.db2.gz LBXRFWMYKVZJRS-GFCCVEGCSA-N 0 0 301.367 3.140 10 30 DGEERN C=C(C)CCOC(=O)c1ccc(CSc2nccn2C)o1 ZINC000174794376 659674851 /nfs/dbraw/zinc/67/48/51/659674851.db2.gz APJIYTJQWHVOIH-UHFFFAOYSA-N 0 0 306.387 3.428 10 30 DGEERN C#CC[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000175332293 659919054 /nfs/dbraw/zinc/91/90/54/659919054.db2.gz MCWZARVVHSOWII-AWEZNQCLSA-N 0 0 305.355 3.032 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(OCC)cc1)C1CC1 ZINC000175335462 659919143 /nfs/dbraw/zinc/91/91/43/659919143.db2.gz JBBYXCGDDGLLLH-SFHVURJKSA-N 0 0 314.381 3.393 10 30 DGEERN N#C[C@@H](COC(=O)CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000175366851 659919350 /nfs/dbraw/zinc/91/93/50/659919350.db2.gz SUKUUUOTTZOFQD-DLBZAZTESA-N 0 0 301.386 3.261 10 30 DGEERN 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CCC[C@@H](C)COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000189949997 661998464 /nfs/dbraw/zinc/99/84/64/661998464.db2.gz DWVISYJJIFWSGG-CYBMUJFWSA-N 0 0 305.422 3.326 10 30 DGEERN N#Cc1ccc(COc2cccnc2Br)cc1F ZINC000190058221 662003763 /nfs/dbraw/zinc/00/37/63/662003763.db2.gz BGASOMWDLLURLW-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C=CC[C@]1(C(=O)N[C@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000190205174 662022902 /nfs/dbraw/zinc/02/29/02/662022902.db2.gz SWPMYHWGVZUVRW-CXAGYDPISA-N 0 0 310.438 3.247 10 30 DGEERN C#C[C@H](OC(=O)Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000190851420 662047053 /nfs/dbraw/zinc/04/70/53/662047053.db2.gz XPVCFWSHAFBXTK-AWEZNQCLSA-N 0 0 312.287 3.125 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(OC)ccc1OC ZINC000191097487 662053999 /nfs/dbraw/zinc/05/39/99/662053999.db2.gz GLERVDSVOVVDTC-KRWDZBQOSA-N 0 0 308.374 3.089 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1ccc([C@@H]2CCOC2)cc1 ZINC000191118915 662054727 /nfs/dbraw/zinc/05/47/27/662054727.db2.gz JFSYIPLHTZGLGA-CRAIPNDOSA-N 0 0 304.386 3.325 10 30 DGEERN CCN(C)c1ccc(/C=C2/COc3c(OC)cccc3C2=O)cn1 ZINC000191276184 662058211 /nfs/dbraw/zinc/05/82/11/662058211.db2.gz LWEXHSFPDFLACP-UVTDQMKNSA-N 0 0 324.380 3.205 10 30 DGEERN Cn1c(=O)sc2cc(/C=C/C(=O)c3ccc(O)cc3)ccc21 ZINC000191490672 662069084 /nfs/dbraw/zinc/06/90/84/662069084.db2.gz DBRYZYVEXUYOQE-YCRREMRBSA-N 0 0 311.362 3.202 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000192435690 662098517 /nfs/dbraw/zinc/09/85/17/662098517.db2.gz ASCHWROAHYFKSO-CYBMUJFWSA-N 0 0 307.415 3.369 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)C1CC1 ZINC000079209159 662103910 /nfs/dbraw/zinc/10/39/10/662103910.db2.gz NNJCLYFKLCCQMZ-YVEFUNNKSA-N 0 0 302.345 3.380 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC000080388639 662139660 /nfs/dbraw/zinc/13/96/60/662139660.db2.gz CDYSITRKYVNAFE-UHFFFAOYSA-N 0 0 314.429 3.307 10 30 DGEERN CC(=O)CCc1ccc(OCCC(=O)O[C@H](C#N)C(C)C)cc1 ZINC000080389180 662139665 /nfs/dbraw/zinc/13/96/65/662139665.db2.gz 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/nfs/dbraw/zinc/16/36/99/662163699.db2.gz WGZWTRUOHUYYJC-UHFFFAOYSA-N 0 0 312.398 3.101 10 30 DGEERN CCOc1cc2c(cc1/C=C/C(=O)OC(C)(C)C#N)O[C@@H](C)C2 ZINC000194456866 662166047 /nfs/dbraw/zinc/16/60/47/662166047.db2.gz LPBWMCGDRHYKHE-SYTKJHMZSA-N 0 0 315.369 3.267 10 30 DGEERN C=CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000194585732 662169517 /nfs/dbraw/zinc/16/95/17/662169517.db2.gz VNVVIZYROBGYAN-INIZCTEOSA-N 0 0 323.392 3.421 10 30 DGEERN C[C@H]1CN(C(=O)C#Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000081836623 662173900 /nfs/dbraw/zinc/17/39/00/662173900.db2.gz HSHBOIJPEOVSOJ-KXBFYZLASA-N 0 0 323.367 3.166 10 30 DGEERN C=C(Br)CNc1cc(C)nc(-c2cccnc2)n1 ZINC000195127816 662178643 /nfs/dbraw/zinc/17/86/43/662178643.db2.gz OXERWEIPEWMAJQ-UHFFFAOYSA-N 0 0 305.179 3.168 10 30 DGEERN C=C(Br)CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000195490783 662190726 /nfs/dbraw/zinc/19/07/26/662190726.db2.gz RBRRVYYZMFGHEI-HNNXBMFYSA-N 0 0 308.219 3.305 10 30 DGEERN COc1cccc(/C=C/C(=O)c2cc(O)ccc2OC)c1F 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C#CCOc1ccc(F)cc1NC(=O)c1scnc1C1CC1 ZINC000089815774 662248416 /nfs/dbraw/zinc/24/84/16/662248416.db2.gz HCKWFYCFWNGRNM-UHFFFAOYSA-N 0 0 316.357 3.424 10 30 DGEERN COc1ccc(COCCCC(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000089968233 662251254 /nfs/dbraw/zinc/25/12/54/662251254.db2.gz GOAKOGVYKMTRJU-INIZCTEOSA-N 0 0 305.374 3.083 10 30 DGEERN N#Cc1sc(NCCOC(F)(F)C(F)(F)F)nc1Cl ZINC000720251709 662306335 /nfs/dbraw/zinc/30/63/35/662306335.db2.gz ZIFLRLKRNOUHQJ-UHFFFAOYSA-N 0 0 321.658 3.252 10 30 DGEERN Cn1cc(C#N)cc1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000091761094 662317821 /nfs/dbraw/zinc/31/78/21/662317821.db2.gz GJNQIQAXXNIYCD-OAHLLOKOSA-N 0 0 323.377 3.300 10 30 DGEERN C#Cc1cccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1 ZINC000247813330 662328729 /nfs/dbraw/zinc/32/87/29/662328729.db2.gz ARBUDESOKXDKOF-UHFFFAOYSA-N 0 0 309.413 3.318 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(F)cc1C#N ZINC000133149853 685068288 /nfs/dbraw/zinc/06/82/88/685068288.db2.gz CRPMPPUZLNZEAV-UHFFFAOYSA-N 0 0 318.739 3.410 10 30 DGEERN C#C[C@H](C)OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000174439352 685105922 /nfs/dbraw/zinc/10/59/22/685105922.db2.gz RSJQEUIAQHSRSY-LBPRGKRZSA-N 0 0 306.358 3.061 10 30 DGEERN C=C[C@@H](C)OC(=O)c1csc(I)c1 ZINC000388775335 685190595 /nfs/dbraw/zinc/19/05/95/685190595.db2.gz HVBNEGRBRBWOPJ-ZCFIWIBFSA-N 0 0 308.140 3.084 10 30 DGEERN N#Cc1cnc(NCCc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000226431153 1176487417 /nfs/dbraw/zinc/48/74/17/1176487417.db2.gz VLQYKEZNYIENEF-UHFFFAOYSA-N 0 0 308.750 3.231 10 30 DGEERN COc1cccc(NC(=O)[C@H](C#N)C(=O)C(C)=CC(C)(C)C)c1 ZINC000588507726 1176510410 /nfs/dbraw/zinc/51/04/10/1176510410.db2.gz GBNMMPAYWNVQDR-KUGGDMIFSA-N 0 0 314.385 3.335 10 30 DGEERN N#Cc1ccc(Br)cc1NCc1cncc(F)c1 ZINC000236249208 1176653067 /nfs/dbraw/zinc/65/30/67/1176653067.db2.gz DDWCSCGCIZCJQY-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN COc1cccc(CC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC000328787994 1176661515 /nfs/dbraw/zinc/66/15/15/1176661515.db2.gz XMXNXFBFCYCOCJ-GUYCJALGSA-N 0 0 306.406 3.040 10 30 DGEERN C#C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1)C(C)C ZINC000304156408 1176921724 /nfs/dbraw/zinc/92/17/24/1176921724.db2.gz FTZSLWGOURNIBF-GFCCVEGCSA-N 0 0 314.610 3.490 10 30 DGEERN Cc1cn2cc(NC(=O)c3ncoc3[C@@H]3CCCO3)ccc2n1 ZINC000329317288 1177000475 /nfs/dbraw/zinc/00/04/75/1177000475.db2.gz SJVWYIDCXWKUNZ-LBPRGKRZSA-N 0 0 312.329 3.119 10 30 DGEERN N#Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc1 ZINC000585433670 1177014914 /nfs/dbraw/zinc/01/49/14/1177014914.db2.gz ONSMXCOWJBCTKV-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN CO[C@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@@H]1C ZINC000228198227 1177038217 /nfs/dbraw/zinc/03/82/17/1177038217.db2.gz ZGDBZIAJPNXVES-HZMBPMFUSA-N 0 0 309.207 3.182 10 30 DGEERN C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 ZINC000516873569 1177143389 /nfs/dbraw/zinc/14/33/89/1177143389.db2.gz YJKCHKFUBQOPCX-UHFFFAOYSA-N 0 0 305.385 3.308 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2)c(OC)c1 ZINC000045240653 1194318738 /nfs/dbraw/zinc/31/87/38/1194318738.db2.gz YCFYRFODHRBHFV-LBPRGKRZSA-N 0 0 310.353 3.066 10 30 DGEERN N#CCOc1cccc(NC(=O)c2ccc(Cl)cc2N)c1 ZINC000059953264 1195125426 /nfs/dbraw/zinc/12/54/26/1195125426.db2.gz YLCCAGFCFCOCMA-UHFFFAOYSA-N 0 0 301.733 3.077 10 30 DGEERN C#CCN(CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(F)cc1 ZINC000060168283 1195127450 /nfs/dbraw/zinc/12/74/50/1195127450.db2.gz YVFLPCXVTSMXNX-MRXNPFEDSA-N 0 0 324.399 3.138 10 30 DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(CC#N)cc1 ZINC000080760630 1197116959 /nfs/dbraw/zinc/11/69/59/1197116959.db2.gz TVZPGZQVOPOJMO-OAHLLOKOSA-N 0 0 306.431 3.096 10 30 DGEERN C=CCO[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000120087318 1197688287 /nfs/dbraw/zinc/68/82/87/1197688287.db2.gz FZXJRPBGSYORIL-ZDUSSCGKSA-N 0 0 319.361 3.020 10 30 DGEERN C=CCc1cc(CNc2cnn(CC(F)F)c2)cc(OC)c1O ZINC000090189531 1198118264 /nfs/dbraw/zinc/11/82/64/1198118264.db2.gz JJGAOMKEPRIXFE-UHFFFAOYSA-N 0 0 323.343 3.203 10 30 DGEERN CCN(c1cc(Br)ccc1C#N)[C@@H]1CCCOC1 ZINC000402822904 1199460628 /nfs/dbraw/zinc/46/06/28/1199460628.db2.gz IEIHCPGLTNKUTH-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)c2cccnc2Br)c1 ZINC000308127542 1199701562 /nfs/dbraw/zinc/70/15/62/1199701562.db2.gz FJWDVFYLJOZBOF-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C[C@@H](Nc1cc(Br)c(C#N)cc1F)c1cn[nH]c1 ZINC000310610894 1199722141 /nfs/dbraw/zinc/72/21/41/1199722141.db2.gz ANAYIYQQROFUBL-SSDOTTSWSA-N 0 0 309.142 3.356 10 30 DGEERN C=CCN(C(=O)c1cc(F)c(Br)cc1N)C(C)C ZINC000310692328 1199723994 /nfs/dbraw/zinc/72/39/94/1199723994.db2.gz RNAWWXZVAAESGA-UHFFFAOYSA-N 0 0 315.186 3.207 10 30 DGEERN C[C@@](O)(CNc1cc(Br)ccc1C#N)C(F)(F)F ZINC000310885298 1199731438 /nfs/dbraw/zinc/73/14/38/1199731438.db2.gz SJYSNSOGZKMLSC-SNVBAGLBSA-N 0 0 323.112 3.046 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1ccc(C#N)cc1C ZINC000314756856 1199795215 /nfs/dbraw/zinc/79/52/15/1199795215.db2.gz AAIMSLMYGQFNIO-UHFFFAOYSA-N 0 0 306.431 3.282 10 30 DGEERN N#Cc1ccc(Br)cc1NCCc1cccnc1 ZINC000123130939 1200272617 /nfs/dbraw/zinc/27/26/17/1200272617.db2.gz XXSFVHLRNJFITH-UHFFFAOYSA-N 0 0 302.175 3.370 10 30 DGEERN COc1cc(CNc2cc(Br)ccc2C#N)ccn1 ZINC000123258569 1200275735 /nfs/dbraw/zinc/27/57/35/1200275735.db2.gz KOQNWPDXMSTIBH-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN CC[C@@H](C)NC(=O)CCNc1cc(Br)ccc1C#N ZINC000123218255 1200275994 /nfs/dbraw/zinc/27/59/94/1200275994.db2.gz RRPSQGSIDZUMQN-SNVBAGLBSA-N 0 0 324.222 3.037 10 30 DGEERN COC(=O)C[C@H](C)Sc1cc(Br)ccc1C#N ZINC000123972874 1200307134 /nfs/dbraw/zinc/30/71/34/1200307134.db2.gz PKPPDZLRUCQIOM-QMMMGPOBSA-N 0 0 314.204 3.364 10 30 DGEERN C#CCOc1ccc(NC(=O)c2cn(CC)nc2C(C)C)cc1 ZINC000131778350 1201159228 /nfs/dbraw/zinc/15/92/28/1201159228.db2.gz SRZOTOXMKAFFPT-UHFFFAOYSA-N 0 0 311.385 3.291 10 30 DGEERN C=CCOc1ccc(CNc2ccn(CC(F)F)n2)cc1OC ZINC000133833015 1201195275 /nfs/dbraw/zinc/19/52/75/1201195275.db2.gz DBMWTFKCSIQEBP-UHFFFAOYSA-N 0 0 323.343 3.334 10 30 DGEERN N#Cc1ccc(NCc2ccncc2)c(F)c1Br ZINC000231843853 1202600296 /nfs/dbraw/zinc/60/02/96/1202600296.db2.gz NNNXCGGPURHXQI-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN CN(Cc1cccnc1)c1ccc(C#N)c(Br)c1F ZINC000231844197 1202600325 /nfs/dbraw/zinc/60/03/25/1202600325.db2.gz IYHVYBGUPJFMFN-UHFFFAOYSA-N 0 0 320.165 3.491 10 30 DGEERN C#CCOc1ccc(CNc2ccc(NC(C)=O)cc2OC)cc1 ZINC000158504918 1202603739 /nfs/dbraw/zinc/60/37/39/1202603739.db2.gz QURLLCUBHFAGDW-UHFFFAOYSA-N 0 0 324.380 3.278 10 30 DGEERN CO[C@@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 ZINC000234896198 1202603862 /nfs/dbraw/zinc/60/38/62/1202603862.db2.gz VUIZGOBDFGIZIV-NXEZZACHSA-N 0 0 313.170 3.439 10 30 DGEERN C#CCN(C(=O)CCc1ccc(F)cc1F)c1nccs1 ZINC000159968759 1202607587 /nfs/dbraw/zinc/60/75/87/1202607587.db2.gz KHQAFOVRTSWCMJ-UHFFFAOYSA-N 0 0 306.337 3.020 10 30 DGEERN Cc1cc(C(=O)NCC(C)(C)C#N)sc1Br ZINC000167217283 1203817013 /nfs/dbraw/zinc/81/70/13/1203817013.db2.gz DRAIPGJEPGDOPD-UHFFFAOYSA-N 0 0 301.209 3.099 10 30 DGEERN N#Cc1cccc(Cl)c1NCCN1C(=O)Cc2ccccc21 ZINC000174717479 1203907498 /nfs/dbraw/zinc/90/74/98/1203907498.db2.gz IAVWXRXCSNQAFQ-UHFFFAOYSA-N 0 0 311.772 3.213 10 30 DGEERN O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCC[C@@H]1O ZINC000175046927 1203917009 /nfs/dbraw/zinc/91/70/09/1203917009.db2.gz FSHOKKJFKFYUGB-OALUTQOASA-N 0 0 320.392 3.121 10 30 DGEERN CCCCCCC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177995749 1203990893 /nfs/dbraw/zinc/99/08/93/1203990893.db2.gz VDHWLTRSCJFOKX-UHFFFAOYSA-N 0 0 311.389 3.107 10 30 DGEERN C=C(C)COCCN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000180652089 1204333392 /nfs/dbraw/zinc/33/33/92/1204333392.db2.gz DRMFDCHOJQDINH-MRXNPFEDSA-N 0 0 319.836 3.345 10 30 DGEERN COc1ccc(-c2cnc(CON=C3CCCOCC3)o2)cc1 ZINC000588398899 1082140729 /nfs/dbraw/zinc/14/07/29/1082140729.db2.gz DDKFHOXPTRHFPN-UHFFFAOYSA-N 0 0 316.357 3.423 10 30 DGEERN N#CC1(COC(=O)/C=C\c2ccccc2Cl)CCOCC1 ZINC000588411913 1082174729 /nfs/dbraw/zinc/17/47/29/1082174729.db2.gz YHCVMDQRISMXQC-WAYWQWQTSA-N 0 0 305.761 3.217 10 30 DGEERN Cc1cccnc1/C=C\C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000588456523 1082333672 /nfs/dbraw/zinc/33/36/72/1082333672.db2.gz VFXNUTNTMJEAPK-QWGSZXSUSA-N 0 0 324.355 3.468 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)/C=C\c1ccncn1 ZINC000588539216 1082587137 /nfs/dbraw/zinc/58/71/37/1082587137.db2.gz POZJZMRLXPVNPT-TWGQIWQCSA-N 0 0 310.353 3.223 10 30 DGEERN N#Cc1cc2c(nc1N1CCC=C(Br)C1)CCCC2 ZINC000404366513 1082661652 /nfs/dbraw/zinc/66/16/52/1082661652.db2.gz GVFAHIMSNKAVHU-UHFFFAOYSA-N 0 0 318.218 3.321 10 30 DGEERN COc1cc(Br)ccc1/C=C\C(=O)c1ccnn1C ZINC000588594930 1082831485 /nfs/dbraw/zinc/83/14/85/1082831485.db2.gz GGRYPJRLYPLNKJ-XQRVVYSFSA-N 0 0 321.174 3.087 10 30 DGEERN Cc1cncc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)c1 ZINC000588598927 1082838607 /nfs/dbraw/zinc/83/86/07/1082838607.db2.gz KFPYZTQXQUCKAB-XQRVVYSFSA-N 0 0 310.378 3.200 10 30 DGEERN COc1cccc(C#CCOC(=O)c2cc(F)ccc2F)c1 ZINC000176597825 1088142592 /nfs/dbraw/zinc/14/25/92/1088142592.db2.gz XGKULKZNFWCIAU-UHFFFAOYSA-N 0 0 302.276 3.182 10 30 DGEERN COc1cccc(C#CCOC(=O)c2csc(C(C)C)n2)c1 ZINC000176603005 1088161790 /nfs/dbraw/zinc/16/17/90/1088161790.db2.gz IVCWQYAPSGFXNQ-UHFFFAOYSA-N 0 0 315.394 3.484 10 30 DGEERN C#Cc1cccc(N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000401969264 1093982215 /nfs/dbraw/zinc/98/22/15/1093982215.db2.gz JRNMKRHYNMGRDY-LJQANCHMSA-N 0 0 320.392 3.491 10 30 DGEERN CN(Cc1cscc1Br)Cc1cncc(C#N)c1 ZINC000721518585 1097396795 /nfs/dbraw/zinc/39/67/95/1097396795.db2.gz WRAYZRDGBLQKAL-UHFFFAOYSA-N 0 0 322.231 3.409 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)cc1 ZINC000081398506 1101703766 /nfs/dbraw/zinc/70/37/66/1101703766.db2.gz UBBQBSDFOWIILQ-AWEZNQCLSA-N 0 0 313.422 3.463 10 30 DGEERN Cc1nc(C)c(CNc2cc(Br)ccc2C#N)[nH]1 ZINC000724778726 1109159685 /nfs/dbraw/zinc/15/96/85/1109159685.db2.gz PZUWQTDDHBIPBW-UHFFFAOYSA-N 0 0 305.179 3.273 10 30 DGEERN N#Cc1nc(N(CCO)Cc2cccc(Cl)c2)ccc1Cl ZINC000302723575 230821507 /nfs/dbraw/zinc/82/15/07/230821507.db2.gz MMIKAHPIEAXSFD-UHFFFAOYSA-N 0 0 322.195 3.259 10 30 DGEERN C=CCNC(=O)[C@@H](C)SCc1cc(F)cc2cccnc21 ZINC000079349734 185166096 /nfs/dbraw/zinc/16/60/96/185166096.db2.gz ZJXXPSAWBRKFLC-LLVKDONJSA-N 0 0 304.390 3.298 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1C ZINC000062887991 432004932 /nfs/dbraw/zinc/00/49/32/432004932.db2.gz LNBXSZROGVTGND-UHFFFAOYSA-N 0 0 300.314 3.325 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C#N)cc1F ZINC000088233641 185243028 /nfs/dbraw/zinc/24/30/28/185243028.db2.gz JVGHLCRCHHAKTN-CYBMUJFWSA-N 0 0 312.344 3.262 10 30 DGEERN CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(Cl)cc1 ZINC000448625225 529667504 /nfs/dbraw/zinc/66/75/04/529667504.db2.gz LSKNAGMFMUXZJK-CQSZACIVSA-N 0 0 301.777 3.431 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000181342809 199283302 /nfs/dbraw/zinc/28/33/02/199283302.db2.gz BOTVTRXZZNRPLC-CYBMUJFWSA-N 0 0 311.385 3.412 10 30 DGEERN CCCOc1ccc(CN=NC(=S)NCC)cc1OCC ZINC000007008426 190627214 /nfs/dbraw/zinc/62/72/14/190627214.db2.gz YSVSOTOQWRCJHX-GZTJUZNOSA-N 0 0 309.435 3.103 10 30 DGEERN N#Cc1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)o1 ZINC000092968651 185350588 /nfs/dbraw/zinc/35/05/88/185350588.db2.gz RSOXHMZDEVYECG-MRXNPFEDSA-N 0 0 310.353 3.260 10 30 DGEERN COC[C@H](C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000103379718 185448881 /nfs/dbraw/zinc/44/88/81/185448881.db2.gz NFESXNVLRPPVDO-AWEZNQCLSA-N 0 0 324.380 3.358 10 30 DGEERN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000234180228 201902613 /nfs/dbraw/zinc/90/26/13/201902613.db2.gz IAKYOIKWLDENKS-QMMMGPOBSA-N 0 0 303.347 3.053 10 30 DGEERN N#Cc1cc(F)ccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000126661886 185882206 /nfs/dbraw/zinc/88/22/06/185882206.db2.gz CBNVICVGSINSAN-MRXNPFEDSA-N 0 0 302.374 3.332 10 30 DGEERN CC(C)Oc1ccc(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000066826939 432021854 /nfs/dbraw/zinc/02/18/54/432021854.db2.gz QUDDJAFOYVFGND-KRWDZBQOSA-N 0 0 321.396 3.079 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189977186 186257694 /nfs/dbraw/zinc/25/76/94/186257694.db2.gz NAGQRTCXBZMNEM-JSGCOSHPSA-N 0 0 302.374 3.099 10 30 DGEERN CCc1cc(C#N)c(NC(=O)[C@H](C)n2nc(C)cc2C)s1 ZINC000194265929 186274300 /nfs/dbraw/zinc/27/43/00/186274300.db2.gz VPCOXKLPMHRQBP-NSHDSACASA-N 0 0 302.403 3.195 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(F)c(COCCOC)c1 ZINC000265996014 186353112 /nfs/dbraw/zinc/35/31/12/186353112.db2.gz FNNHAKDAEJXBOH-UHFFFAOYSA-N 0 0 309.381 3.027 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000172347632 198083312 /nfs/dbraw/zinc/08/33/12/198083312.db2.gz XOVXNDCIWCDBKM-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C#CCSCCNc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000172762815 198146649 /nfs/dbraw/zinc/14/66/49/198146649.db2.gz LKJFBSATSKQJFA-UHFFFAOYSA-N 0 0 302.403 3.033 10 30 DGEERN C=CC[C@H](C)NC(=O)Cc1cc(Br)ccc1OC ZINC000173800599 198254005 /nfs/dbraw/zinc/25/40/05/198254005.db2.gz MOKKPJGTHRIWQH-JTQLQIEISA-N 0 0 312.207 3.081 10 30 DGEERN N#Cc1ccccc1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173710471 198243430 /nfs/dbraw/zinc/24/34/30/198243430.db2.gz SSLPYSUPMLAFPS-UHFFFAOYSA-N 0 0 308.385 3.378 10 30 DGEERN C=CCOCCCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000173809453 198255123 /nfs/dbraw/zinc/25/51/23/198255123.db2.gz AEGKRPXLCLEWKE-YOEHRIQHSA-N 0 0 321.392 3.097 10 30 DGEERN COc1ccc(N(C(=O)c2ccc(C#N)cn2)[C@H](C)C2CC2)cc1 ZINC000107468176 432032319 /nfs/dbraw/zinc/03/23/19/432032319.db2.gz QGQVNPPTZBCAEQ-CYBMUJFWSA-N 0 0 321.380 3.407 10 30 DGEERN COc1cc(Br)ccc1CCCn1ccnc1C#N ZINC000182105463 199387513 /nfs/dbraw/zinc/38/75/13/199387513.db2.gz FYFMLXDGHOKPQZ-UHFFFAOYSA-N 0 0 320.190 3.159 10 30 DGEERN C/C(=N/N(C)c1ncccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000003909179 181057584 /nfs/dbraw/zinc/05/75/84/181057584.db2.gz AYUKZHMZVBAKDV-NVMNQCDNSA-N 0 0 306.272 3.128 10 30 DGEERN N#Cc1c[nH]c(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000181033114 283084659 /nfs/dbraw/zinc/08/46/59/283084659.db2.gz ZBNBGVGWLUCBBY-ZDUSSCGKSA-N 0 0 315.760 3.183 10 30 DGEERN N#Cc1cc(F)c(C(=O)N[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000176182939 283095954 /nfs/dbraw/zinc/09/59/54/283095954.db2.gz GRICFXDUMZNJOU-CQSZACIVSA-N 0 0 314.291 3.090 10 30 DGEERN Cc1c2nc(NC(=O)c3cc(C#N)cn3C)sc2ccc1F ZINC000164830343 432051866 /nfs/dbraw/zinc/05/18/66/432051866.db2.gz IBNNISURKOTLBB-UHFFFAOYSA-N 0 0 314.345 3.206 10 30 DGEERN CCOC(=O)c1ccccc1N[C@H](C=O)c1ccc(OC)cc1 ZINC000005332645 181230183 /nfs/dbraw/zinc/23/01/83/181230183.db2.gz HITKDFRPJSXXNJ-QGZVFWFLSA-N 0 0 313.353 3.224 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccnc1Br ZINC000177331774 198704736 /nfs/dbraw/zinc/70/47/36/198704736.db2.gz GPDRAUIESTTYHC-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN N#Cc1ccc(CC(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000179376641 432055518 /nfs/dbraw/zinc/05/55/18/432055518.db2.gz ZNVFNCXAOXBTGI-SFHVURJKSA-N 0 0 308.356 3.434 10 30 DGEERN C=CCNc1nnc(SCC(=O)Nc2ccccc2F)s1 ZINC000005785710 181283690 /nfs/dbraw/zinc/28/36/90/181283690.db2.gz QDUAKYIUCPMCCB-UHFFFAOYSA-N 0 0 324.406 3.006 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000276933984 213186057 /nfs/dbraw/zinc/18/60/57/213186057.db2.gz OTECSNOXTMSCGS-MAUKXSAKSA-N 0 0 303.402 3.052 10 30 DGEERN C=C[C@H](CC(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccccc1 ZINC000276902155 213164469 /nfs/dbraw/zinc/16/44/69/213164469.db2.gz ALKGCJRVPPSZJY-CQSZACIVSA-N 0 0 308.381 3.032 10 30 DGEERN C=C[C@@H](CC(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccccc1 ZINC000276902151 213163206 /nfs/dbraw/zinc/16/32/06/213163206.db2.gz ALKGCJRVPPSZJY-AWEZNQCLSA-N 0 0 308.381 3.032 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000170248985 432071928 /nfs/dbraw/zinc/07/19/28/432071928.db2.gz OGRVXUJODXHSAX-UHSVVUDUSA-N 0 0 309.413 3.288 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000179384100 199026094 /nfs/dbraw/zinc/02/60/94/199026094.db2.gz CVZIHYDKEKZYTC-UHFFFAOYSA-N 0 0 323.261 3.364 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632524 432074644 /nfs/dbraw/zinc/07/46/44/432074644.db2.gz YTVCGICCKIKRFV-CMDGGOBGSA-N 0 0 316.320 3.260 10 30 DGEERN N#Cc1cnc(Nc2ccc3nc(N4CCCC4)sc3c2)cn1 ZINC000185142834 199815258 /nfs/dbraw/zinc/81/52/58/199815258.db2.gz OPPWSFPDHBLCRN-UHFFFAOYSA-N 0 0 322.397 3.302 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000134728037 432084660 /nfs/dbraw/zinc/08/46/60/432084660.db2.gz DUJKJKCIPZZVDS-ZDUSSCGKSA-N 0 0 310.394 3.041 10 30 DGEERN Cc1n[nH]c2cc(NC(=O)CCc3ccc(C#N)cc3)ccc12 ZINC000180343590 432084502 /nfs/dbraw/zinc/08/45/02/432084502.db2.gz VLLYNQDHOHYNNH-UHFFFAOYSA-N 0 0 304.353 3.314 10 30 DGEERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(C#N)s2)c2ccccc2)[nH]1 ZINC000134874682 432087845 /nfs/dbraw/zinc/08/78/45/432087845.db2.gz PHOZNRDFZOIDCK-ZBEGNZNMSA-N 0 0 323.425 3.487 10 30 DGEERN CO[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@H]1C ZINC000189874730 200463477 /nfs/dbraw/zinc/46/34/77/200463477.db2.gz KIVAJIFZWQRUEJ-YGRLFVJLSA-N 0 0 307.781 3.100 10 30 DGEERN CC(=O)N1c2ccccc2C(=NNc2ccc(Cl)cc2)C1=O ZINC000006159138 181316451 /nfs/dbraw/zinc/31/64/51/181316451.db2.gz KLYPOCJQDZIDJD-CYVLTUHYSA-N 0 0 313.744 3.049 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189828583 432094279 /nfs/dbraw/zinc/09/42/79/432094279.db2.gz LZEOWDQBSDDBPG-OAHLLOKOSA-N 0 0 315.413 3.063 10 30 DGEERN CC(C)CCc1nnc(NCc2c(F)cc(C#N)cc2F)o1 ZINC000192751981 200935145 /nfs/dbraw/zinc/93/51/45/200935145.db2.gz NRQJRDVVQBQVEC-UHFFFAOYSA-N 0 0 306.316 3.420 10 30 DGEERN N#Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccn1 ZINC000194984271 201322239 /nfs/dbraw/zinc/32/22/39/201322239.db2.gz QQLYAJRQTFYDBX-UHFFFAOYSA-N 0 0 320.179 3.233 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000189875762 432100671 /nfs/dbraw/zinc/10/06/71/432100671.db2.gz CQJFNCUAEWIEOI-OAHLLOKOSA-N 0 0 314.429 3.345 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCS[C@@H](C)C1 ZINC000246154440 432101015 /nfs/dbraw/zinc/10/10/15/432101015.db2.gz QBTCPKLCDCSOJU-UONOGXRCSA-N 0 0 324.515 3.089 10 30 DGEERN COc1ccc([C@@H](NC(=O)c2ccc(C#N)n2C)C(C)C)cc1 ZINC000448626629 239821850 /nfs/dbraw/zinc/82/18/50/239821850.db2.gz BLQVYWKZMISRJX-KRWDZBQOSA-N 0 0 311.385 3.032 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000448844324 239906804 /nfs/dbraw/zinc/90/68/04/239906804.db2.gz AHIHJSWRQNUSTQ-SUMWQHHRSA-N 0 0 306.381 3.175 10 30 DGEERN C=CCC[C@H](NCc1c[nH]c(-c2ccccc2)n1)C(=O)OCC ZINC000449659885 240348482 /nfs/dbraw/zinc/34/84/82/240348482.db2.gz WMQQDEBVDITDDG-INIZCTEOSA-N 0 0 313.401 3.064 10 30 DGEERN C=CCCCN(C)C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000449962817 240498916 /nfs/dbraw/zinc/49/89/16/240498916.db2.gz VAMFNQBDQCMYFW-UHFFFAOYSA-N 0 0 301.430 3.451 10 30 DGEERN CCCOc1cc(F)ccc1NC(=O)c1ccc(C#N)n1C ZINC000450111284 240566956 /nfs/dbraw/zinc/56/69/56/240566956.db2.gz HFUQCEWROQLKSU-UHFFFAOYSA-N 0 0 301.321 3.077 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000451172458 241030191 /nfs/dbraw/zinc/03/01/91/241030191.db2.gz WPRDGURYDJGHFQ-HZPDHXFCSA-N 0 0 307.397 3.353 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000451383229 241103113 /nfs/dbraw/zinc/10/31/13/241103113.db2.gz KAWXUYNFZILZBQ-STQMWFEESA-N 0 0 311.360 3.102 10 30 DGEERN C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000451248908 241059807 /nfs/dbraw/zinc/05/98/07/241059807.db2.gz YROOMPZFSGZDCQ-LBPRGKRZSA-N 0 0 324.421 3.086 10 30 DGEERN CN([C@H]1CCC(C)(C)C1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451482615 241139545 /nfs/dbraw/zinc/13/95/45/241139545.db2.gz DCCZWZPLNJXENA-HNNXBMFYSA-N 0 0 324.421 3.038 10 30 DGEERN C[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451444620 241125755 /nfs/dbraw/zinc/12/57/55/241125755.db2.gz FBZDZSFQQDOQBL-MLGOLLRUSA-N 0 0 324.421 3.086 10 30 DGEERN COc1ccc([C@H](NC(=O)c2cc(C#N)cn2C)C(C)C)cc1 ZINC000080971513 283906354 /nfs/dbraw/zinc/90/63/54/283906354.db2.gz VPXVHNUGYFFESW-QGZVFWFLSA-N 0 0 311.385 3.032 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000081061174 283908837 /nfs/dbraw/zinc/90/88/37/283908837.db2.gz WSTOXWXOIMQPPK-UHFFFAOYSA-N 0 0 318.336 3.336 10 30 DGEERN C[C@]1(C(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000184008353 291370932 /nfs/dbraw/zinc/37/09/32/291370932.db2.gz BTJHSFAEOYPKPK-HUUCEWRRSA-N 0 0 323.223 3.138 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CCC[C@](C)(F)C2)c(OC)c1 ZINC000452194657 241347146 /nfs/dbraw/zinc/34/71/46/241347146.db2.gz MKBXDTKVMBXEKQ-SFHVURJKSA-N 0 0 321.392 3.153 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000081547498 283920047 /nfs/dbraw/zinc/92/00/47/283920047.db2.gz YTKIWMZHCAKHHO-DLBZAZTESA-N 0 0 307.397 3.038 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453455936 241793255 /nfs/dbraw/zinc/79/32/55/241793255.db2.gz UMMFVOIZDQBMFV-SFHVURJKSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)Cn1c(N(C)Cc2ccoc2)nnc1[C@]1(C)CCCO1 ZINC000453472728 241798643 /nfs/dbraw/zinc/79/86/43/241798643.db2.gz YDGKHMKBAJFMQL-KRWDZBQOSA-N 0 0 316.405 3.109 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000454422198 241947374 /nfs/dbraw/zinc/94/73/74/241947374.db2.gz FZAFHLQEVHGVFI-WDEREUQCSA-N 0 0 310.385 3.278 10 30 DGEERN C=CCC[C@@H](NC(=O)N[C@@H]1COCC1(C)C)c1ccccc1 ZINC000454706540 242015859 /nfs/dbraw/zinc/01/58/59/242015859.db2.gz ZDAAXHMTBXQAIK-HZPDHXFCSA-N 0 0 302.418 3.418 10 30 DGEERN C=C(C)CCNC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000455311212 242165553 /nfs/dbraw/zinc/16/55/53/242165553.db2.gz NLOCQHXLIDIFQY-GFCCVEGCSA-N 0 0 311.451 3.348 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000455366635 242181545 /nfs/dbraw/zinc/18/15/45/242181545.db2.gz MULUJYOFAAMGRJ-UHFFFAOYSA-N 0 0 306.406 3.057 10 30 DGEERN C=C(CC)CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000455529226 242225978 /nfs/dbraw/zinc/22/59/78/242225978.db2.gz YFNREFMGTNNHNU-UHFFFAOYSA-N 0 0 323.234 3.483 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CC)c(OC)c1 ZINC000455879345 242303117 /nfs/dbraw/zinc/30/31/17/242303117.db2.gz PZVRGGFEAJHDPR-PBHICJAKSA-N 0 0 318.417 3.360 10 30 DGEERN Cc1csc([C@H](C)NC(=O)Nc2cccc(CC#N)c2)n1 ZINC000455920882 242311622 /nfs/dbraw/zinc/31/16/22/242311622.db2.gz ODFBZPSFJAKPER-NSHDSACASA-N 0 0 300.387 3.400 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1(Cc2cccc(Cl)c2)CC1 ZINC000456742001 242542371 /nfs/dbraw/zinc/54/23/71/242542371.db2.gz WWIAPQHVRVNHEQ-UHFFFAOYSA-N 0 0 313.788 3.055 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000458319459 243030295 /nfs/dbraw/zinc/03/02/95/243030295.db2.gz KJWPXUACMCJIST-UHFFFAOYSA-N 0 0 318.392 3.369 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1CC(C(C)(C)C)C1 ZINC000458378473 243043181 /nfs/dbraw/zinc/04/31/81/243043181.db2.gz MLODROZMPSPRQF-UHFFFAOYSA-N 0 0 302.418 3.439 10 30 DGEERN C=CCC[C@H](NC(=O)N1CC[C@H](CO)[C@@H]1CC)c1ccccc1 ZINC000458573669 243094847 /nfs/dbraw/zinc/09/48/47/243094847.db2.gz MIAMIFAQWWNWBM-SQNIBIBYSA-N 0 0 316.445 3.496 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458835665 243174292 /nfs/dbraw/zinc/17/42/92/243174292.db2.gz KATOUEGGLPXEDG-QGZVFWFLSA-N 0 0 315.417 3.266 10 30 DGEERN C=CCC1(CNC(=O)NC[C@H](CO)c2ccccc2)CCCC1 ZINC000459046997 243235592 /nfs/dbraw/zinc/23/55/92/243235592.db2.gz HAEVEBQUDSDTTG-QGZVFWFLSA-N 0 0 316.445 3.198 10 30 DGEERN C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)C[C@H](c2ccccc2)O1 ZINC000459261641 243305471 /nfs/dbraw/zinc/30/54/71/243305471.db2.gz SCWVLMJFBIVFME-GDBMZVCRSA-N 0 0 315.417 3.098 10 30 DGEERN C=CCN(CCn1cc(Cl)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC000459325157 243336018 /nfs/dbraw/zinc/33/60/18/243336018.db2.gz KXIAJUXWIIBVKN-UHFFFAOYSA-N 0 0 320.780 3.133 10 30 DGEERN N#Cc1ccc(NC2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000112012566 284083731 /nfs/dbraw/zinc/08/37/31/284083731.db2.gz XCKRHOHFZQLFRH-UHFFFAOYSA-N 0 0 301.287 3.136 10 30 DGEERN CC1(C)CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC(C)(C)C1 ZINC000466571087 243927974 /nfs/dbraw/zinc/92/79/74/243927974.db2.gz AICZFFJHQXCRSP-UHFFFAOYSA-N 0 0 324.421 3.144 10 30 DGEERN CC#CCCCC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000466643577 243932556 /nfs/dbraw/zinc/93/25/56/243932556.db2.gz XVBALOXEMUTAAD-IRXDYDNUSA-N 0 0 319.445 3.150 10 30 DGEERN C=CCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000468392113 244039189 /nfs/dbraw/zinc/03/91/89/244039189.db2.gz KRQMYJWCBYETII-KRWDZBQOSA-N 0 0 316.445 3.222 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000275110279 212126194 /nfs/dbraw/zinc/12/61/94/212126194.db2.gz XZUXEWPEEZSLTE-BMIGLBTASA-N 0 0 320.343 3.366 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)N[C@@H](CC)C(F)(F)F ZINC000470449743 244172502 /nfs/dbraw/zinc/17/25/02/244172502.db2.gz NBOAWKCUGCLYMY-LBPRGKRZSA-N 0 0 304.312 3.361 10 30 DGEERN Cc1cc([C@@H]2CN(Cc3ccc(C#N)o3)CCO2)ccc1F ZINC000093637496 193279277 /nfs/dbraw/zinc/27/92/77/193279277.db2.gz ANKIXMTYUGWYLO-KRWDZBQOSA-N 0 0 300.333 3.172 10 30 DGEERN COC(=O)CCCSc1nc(C(F)(F)F)ccc1C#N ZINC000274963208 212044685 /nfs/dbraw/zinc/04/46/85/212044685.db2.gz BIOUOMAQNWMNFW-UHFFFAOYSA-N 0 0 304.293 3.017 10 30 DGEERN C=CCOc1ccc(CNc2ccc3c(c2)N(C(N)=O)CC3)cc1 ZINC000487198121 245033519 /nfs/dbraw/zinc/03/35/19/245033519.db2.gz JMZAONLKZRESNA-UHFFFAOYSA-N 0 0 323.396 3.305 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000487607596 245082815 /nfs/dbraw/zinc/08/28/15/245082815.db2.gz RFPSMTBYCAUODX-CQSZACIVSA-N 0 0 322.453 3.111 10 30 DGEERN Cc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C#N ZINC000488988537 245259294 /nfs/dbraw/zinc/25/92/94/245259294.db2.gz YEYIEPMFNZCESI-FQEVSTJZSA-N 0 0 322.408 3.147 10 30 DGEERN C=CC[C@@H](CC)NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489874425 245356217 /nfs/dbraw/zinc/35/62/17/245356217.db2.gz LPDPJNOAMJEKDZ-LLVKDONJSA-N 0 0 310.444 3.238 10 30 DGEERN CC(C)c1csc(NC(=O)COc2ccc(C#N)cc2)n1 ZINC000010637862 181675191 /nfs/dbraw/zinc/67/51/91/181675191.db2.gz SVUHNWCWORPGHI-UHFFFAOYSA-N 0 0 301.371 3.156 10 30 DGEERN O=S(=O)(/N=C(/Cl)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000010149155 181658493 /nfs/dbraw/zinc/65/84/93/181658493.db2.gz MIENOBBMSDLYPB-GHRIWEEISA-N 0 0 315.728 3.339 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000135097002 335019167 /nfs/dbraw/zinc/01/91/67/335019167.db2.gz MFSAYMJUBSLDFK-CZUORRHYSA-N 0 0 300.402 3.319 10 30 DGEERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cn2)o1 ZINC000128489691 284377194 /nfs/dbraw/zinc/37/71/94/284377194.db2.gz IPSBAOGDQGPWOQ-INIZCTEOSA-N 0 0 309.369 3.476 10 30 DGEERN N/C(=N\O)c1cccc(COc2ccccc2Br)c1 ZINC000019517745 182127181 /nfs/dbraw/zinc/12/71/81/182127181.db2.gz SZBITWJUNYVLSB-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN COC(=O)c1sc2ncnc(Nc3cccc(C#N)c3)c2c1C ZINC000019957549 182169943 /nfs/dbraw/zinc/16/99/43/182169943.db2.gz PDTJBLXDOAMTCS-UHFFFAOYSA-N 0 0 324.365 3.402 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000129935880 284427859 /nfs/dbraw/zinc/42/78/59/284427859.db2.gz GZODBFQPSQMFKJ-CQSZACIVSA-N 0 0 306.365 3.258 10 30 DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000134727849 284449863 /nfs/dbraw/zinc/44/98/63/284449863.db2.gz MGAKNBWWGBSWIR-OAHLLOKOSA-N 0 0 306.431 3.210 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCN(CC(F)F)CC1)c1ccccc1 ZINC000494838033 246200728 /nfs/dbraw/zinc/20/07/28/246200728.db2.gz YPMOXWXRRNGVOL-MRXNPFEDSA-N 0 0 322.399 3.146 10 30 DGEERN C=CCSCCNC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000171470313 432136037 /nfs/dbraw/zinc/13/60/37/432136037.db2.gz HFRQUYZUAKHZJW-UHFFFAOYSA-N 0 0 317.458 3.237 10 30 DGEERN C=CC[C@H](C(=O)N1CC=C(c2ccnn2C)CC1)c1ccccc1 ZINC000286270289 335031045 /nfs/dbraw/zinc/03/10/45/335031045.db2.gz LJYQKCCYXGZAKY-SFHVURJKSA-N 0 0 321.424 3.396 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000029789871 182577352 /nfs/dbraw/zinc/57/73/52/182577352.db2.gz XEKQYFVZYDYYLO-YOEHRIQHSA-N 0 0 321.380 3.084 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000274392063 211572133 /nfs/dbraw/zinc/57/21/33/211572133.db2.gz OLDCKGIRYNZCPI-SGIREYDYSA-N 0 0 311.372 3.495 10 30 DGEERN O=C(/C=C\c1ccc(O)c(O)c1)c1cc2ccccc2oc1=O ZINC000034861312 182740001 /nfs/dbraw/zinc/74/00/01/182740001.db2.gz OJILEBWGUSICHP-ALCCZGGFSA-N 0 0 308.289 3.100 10 30 DGEERN CC[C@@H](CNC(=O)Cc1cccc(C#N)c1)Oc1ccccc1C ZINC000531459829 269675109 /nfs/dbraw/zinc/67/51/09/269675109.db2.gz UAKGMAOQWBUPMW-SFHVURJKSA-N 0 0 322.408 3.383 10 30 DGEERN COc1ccc(OCCOc2cccc(C#N)c2)cc1C(C)=O ZINC000181745834 432143426 /nfs/dbraw/zinc/14/34/26/432143426.db2.gz OWLMTZYTLWEXQZ-UHFFFAOYSA-N 0 0 311.337 3.227 10 30 DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000152056243 284598299 /nfs/dbraw/zinc/59/82/99/284598299.db2.gz RFKHHWKOAKSREH-CQSZACIVSA-N 0 0 310.394 3.041 10 30 DGEERN N#Cc1cc(N)cnc1Oc1ccc(F)cc1Br ZINC000037759236 182924199 /nfs/dbraw/zinc/92/41/99/182924199.db2.gz DINTZPKGXNPFPQ-UHFFFAOYSA-N 0 0 308.110 3.229 10 30 DGEERN CO[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@H]1C ZINC000190363331 432148737 /nfs/dbraw/zinc/14/87/37/432148737.db2.gz YSDHHIKVHFZBKF-BMIGLBTASA-N 0 0 317.339 3.246 10 30 DGEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@@H](c2cccc(Cl)c2)O1 ZINC000039127589 183014076 /nfs/dbraw/zinc/01/40/76/183014076.db2.gz PSFLMNWZJGJGHP-MRXNPFEDSA-N 0 0 314.772 3.272 10 30 DGEERN C=C(C)C(=O)NCc1nc2ccccc2n1Cc1ccccc1F ZINC000040194184 183044588 /nfs/dbraw/zinc/04/45/88/183044588.db2.gz CATCAJCRQKZDPU-UHFFFAOYSA-N 0 0 323.371 3.416 10 30 DGEERN N#CC1(NC(=O)c2cc(F)cc(Br)c2)CCCC1 ZINC000040218558 183047295 /nfs/dbraw/zinc/04/72/95/183047295.db2.gz DHQBBNZMGRBNCJ-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1-c1ccco1 ZINC000040239076 183048682 /nfs/dbraw/zinc/04/86/82/183048682.db2.gz ANSOXPUZHGGXFL-UHFFFAOYSA-N 0 0 321.380 3.497 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000126502572 291671604 /nfs/dbraw/zinc/67/16/04/291671604.db2.gz LCKDZCRLHCPESQ-KXBFYZLASA-N 0 0 320.392 3.469 10 30 DGEERN C=CCNc1ncnc(Oc2ccc(Br)cc2)c1N ZINC000040709191 183121394 /nfs/dbraw/zinc/12/13/94/183121394.db2.gz ZEMQVZQEINXALM-UHFFFAOYSA-N 0 0 321.178 3.212 10 30 DGEERN C=CCNc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040598923 183108139 /nfs/dbraw/zinc/10/81/39/183108139.db2.gz FTKCFNBQBKAOEN-UHFFFAOYSA-N 0 0 322.328 3.275 10 30 DGEERN N/C(CCN(Cc1c(Cl)cccc1Cl)C1CC1)=N/O ZINC000042546153 183283182 /nfs/dbraw/zinc/28/31/82/183283182.db2.gz RSINLFDMPJQOGM-UHFFFAOYSA-N 0 0 302.205 3.094 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1O ZINC000153528033 284676156 /nfs/dbraw/zinc/67/61/56/284676156.db2.gz GPHBIUXRUPMCDF-JTQLQIEISA-N 0 0 316.744 3.323 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1oc(C2CC2)nc1C ZINC000273941906 211195024 /nfs/dbraw/zinc/19/50/24/211195024.db2.gz KIBVTGQUSLHOOU-UHFFFAOYSA-N 0 0 300.358 3.324 10 30 DGEERN C=CCCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273851378 211112824 /nfs/dbraw/zinc/11/28/24/211112824.db2.gz HLNQNEBUFMEGNP-UHFFFAOYSA-N 0 0 308.353 3.436 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C#N)cc1 ZINC000106505156 194220705 /nfs/dbraw/zinc/22/07/05/194220705.db2.gz PRTNSVIOKJPYMU-INIZCTEOSA-N 0 0 301.390 3.371 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000155069670 197018513 /nfs/dbraw/zinc/01/85/13/197018513.db2.gz WKBXETBFPWDDQO-KRWDZBQOSA-N 0 0 314.429 3.215 10 30 DGEERN C[C@H](CC#N)N(C)c1c(N)cnc2ccc(Br)cc21 ZINC000063086946 184269526 /nfs/dbraw/zinc/26/95/26/184269526.db2.gz AVKLVBKZSQXEPZ-SECBINFHSA-N 0 0 319.206 3.318 10 30 DGEERN C=CCN1C(=S)N=NC1CCCOc1ccc(CC)cc1 ZINC000064872038 184305257 /nfs/dbraw/zinc/30/52/57/184305257.db2.gz UTPQXCMUIDDXNA-UHFFFAOYSA-N 0 0 303.431 3.327 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000066179623 184395458 /nfs/dbraw/zinc/39/54/58/184395458.db2.gz JVMWEXPSXDBMQQ-PBHICJAKSA-N 0 0 315.417 3.046 10 30 DGEERN N#Cc1cccc(CNC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000117597771 194834894 /nfs/dbraw/zinc/83/48/94/194834894.db2.gz UDEDYFQELMCZAY-MRXNPFEDSA-N 0 0 306.365 3.131 10 30 DGEERN Cc1ccccc1C(C)(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173906791 252665339 /nfs/dbraw/zinc/66/53/39/252665339.db2.gz HCXMTLPLRUYMLD-UHFFFAOYSA-N 0 0 322.408 3.340 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)ccn1 ZINC000195178402 207647605 /nfs/dbraw/zinc/64/76/05/207647605.db2.gz CUNWMJHPBZTZCZ-QGZVFWFLSA-N 0 0 303.321 3.066 10 30 DGEERN CSc1ccc(O[C@H](C)C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436016459 532992495 /nfs/dbraw/zinc/99/24/95/532992495.db2.gz RJIPNKPVKDHESV-LLVKDONJSA-N 0 0 313.382 3.081 10 30 DGEERN COc1ccc(OC)c([C@H]2CCCN2c2ccc(C#N)nc2)c1 ZINC000301565370 532988214 /nfs/dbraw/zinc/98/82/14/532988214.db2.gz JMHWJKWCBBXOMI-QGZVFWFLSA-N 0 0 309.369 3.312 10 30 DGEERN CCC1(CC)CN([C@H](C)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000249044978 285049197 /nfs/dbraw/zinc/04/91/97/285049197.db2.gz VSGBZQHKIZRCAW-SZNDQCEHSA-N 0 0 304.459 3.242 10 30 DGEERN N#Cc1ccc(F)c(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000157858754 197221272 /nfs/dbraw/zinc/22/12/72/197221272.db2.gz MYNUTWRIIHFBKY-HNNXBMFYSA-N 0 0 302.374 3.332 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000187512230 533147760 /nfs/dbraw/zinc/14/77/60/533147760.db2.gz HUIUDKRMVXJQMV-LBPRGKRZSA-N 0 0 310.357 3.039 10 30 DGEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCCCCC#N)C2)cc1 ZINC000172375151 533146847 /nfs/dbraw/zinc/14/68/47/533146847.db2.gz FRRXLEKXPLNGQF-GDBMZVCRSA-N 0 0 315.417 3.276 10 30 DGEERN Cc1cnc(CCN(C)C(=O)Nc2cc(C#N)ccc2C)s1 ZINC000153782697 196908311 /nfs/dbraw/zinc/90/83/11/196908311.db2.gz RPKHHMFMEMZAJG-UHFFFAOYSA-N 0 0 314.414 3.338 10 30 DGEERN CC[C@@H]1c2cc(F)c(F)cc2CCN1c1cc(C#N)ncn1 ZINC000521396626 257240289 /nfs/dbraw/zinc/24/02/89/257240289.db2.gz CVMLERNWVAJNCY-OAHLLOKOSA-N 0 0 300.312 3.140 10 30 DGEERN C[C@H]1C[C@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000072094799 184930446 /nfs/dbraw/zinc/93/04/46/184930446.db2.gz WBEFINIFWHIXDP-SCLBCKFNSA-N 0 0 306.365 3.275 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000124093406 195602702 /nfs/dbraw/zinc/60/27/02/195602702.db2.gz KNVRISODVDFRNP-WBVHZDCISA-N 0 0 314.429 3.438 10 30 DGEERN CCOc1cc(C#N)ccc1OCc1ccc(OC)c(C#N)c1 ZINC000125003782 195702616 /nfs/dbraw/zinc/70/26/16/195702616.db2.gz UTFZAWCNCHAIPG-UHFFFAOYSA-N 0 0 308.337 3.416 10 30 DGEERN Cc1ccccc1CN(Cc1ccccn1)c1cnc(C#N)cn1 ZINC000125498394 195756411 /nfs/dbraw/zinc/75/64/11/195756411.db2.gz XCOUATSJDCWNDT-UHFFFAOYSA-N 0 0 315.380 3.259 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000125688684 195776640 /nfs/dbraw/zinc/77/66/40/195776640.db2.gz JFNCWVOMUGXQJA-AWEZNQCLSA-N 0 0 320.433 3.242 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2Cc2ccc(C#N)s2)no1 ZINC000127857229 195915931 /nfs/dbraw/zinc/91/59/31/195915931.db2.gz HVCVBERSLXXZSV-CYBMUJFWSA-N 0 0 302.403 3.463 10 30 DGEERN C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)c1cccnc1 ZINC000174736165 533310873 /nfs/dbraw/zinc/31/08/73/533310873.db2.gz QHICVBZSPIKNAX-BEFAXECRSA-N 0 0 307.397 3.216 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000494254206 533503451 /nfs/dbraw/zinc/50/34/51/533503451.db2.gz OYAIYWLLHCJRLG-UHFFFAOYSA-N 0 0 320.343 3.243 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000472168905 533509113 /nfs/dbraw/zinc/50/91/13/533509113.db2.gz DVDNQVCJVJGHQC-IRXDYDNUSA-N 0 0 302.418 3.342 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@H](CO)[C@@H]2CC)c1 ZINC000454674706 533520005 /nfs/dbraw/zinc/52/00/05/533520005.db2.gz QIHXTHHGFALFDX-PBHICJAKSA-N 0 0 318.417 3.266 10 30 DGEERN C[C@H](CC#N)N(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000184981078 533603080 /nfs/dbraw/zinc/60/30/80/533603080.db2.gz AATVOLTYXWTZMA-SECBINFHSA-N 0 0 307.195 3.059 10 30 DGEERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ncccc1C#N ZINC000302418199 533623064 /nfs/dbraw/zinc/62/30/64/533623064.db2.gz IJJFVEMDNWNLHO-GXTWGEPZSA-N 0 0 316.405 3.011 10 30 DGEERN C[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000128554416 195973900 /nfs/dbraw/zinc/97/39/00/195973900.db2.gz HHOMHOQRZBCHJT-KSSFIOAISA-N 0 0 320.392 3.172 10 30 DGEERN Cc1ccc(C#N)c(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 ZINC000161570627 292044960 /nfs/dbraw/zinc/04/49/60/292044960.db2.gz GUWNZVXIFFBAOI-DYVFJYSZSA-N 0 0 311.360 3.367 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCC[C@H]1CCC ZINC000616114798 400085792 /nfs/dbraw/zinc/08/57/92/400085792.db2.gz DRFXUOASPPBMMT-IKGGRYGDSA-N 0 0 308.466 3.180 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)N[C@](C)(C#N)CC(C)C ZINC000616166593 400093284 /nfs/dbraw/zinc/09/32/84/400093284.db2.gz SPWUJZXQJFPMMF-INIZCTEOSA-N 0 0 305.447 3.462 10 30 DGEERN CC#CCNc1cc(I)ccc1Cl ZINC000300986391 400100207 /nfs/dbraw/zinc/10/02/07/400100207.db2.gz TYHKWMPLHYPPII-UHFFFAOYSA-N 0 0 305.546 3.380 10 30 DGEERN C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC ZINC000581357779 400079517 /nfs/dbraw/zinc/07/95/17/400079517.db2.gz IAJIVUGGLQIVIT-UHFFFAOYSA-N 0 0 321.222 3.350 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000581615893 400081332 /nfs/dbraw/zinc/08/13/32/400081332.db2.gz WMIAUBAINUXPRT-UHFFFAOYSA-N 0 0 313.405 3.350 10 30 DGEERN Cc1cc(C#N)cc(N[C@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000587979963 400176485 /nfs/dbraw/zinc/17/64/85/400176485.db2.gz VRMGPFJICKMYOW-INIZCTEOSA-N 0 0 310.376 3.482 10 30 DGEERN CC(C)(NC(=O)NCc1ccc(C#N)cc1F)c1cccs1 ZINC000609746865 400188899 /nfs/dbraw/zinc/18/88/99/400188899.db2.gz XAAZBIMWQFSFFM-UHFFFAOYSA-N 0 0 317.389 3.493 10 30 DGEERN N#Cc1ccc(CNC(=O)NCc2coc3ccccc23)c(F)c1 ZINC000609626743 400182351 /nfs/dbraw/zinc/18/23/51/400182351.db2.gz GGCRFAFYLKVOMC-UHFFFAOYSA-N 0 0 323.327 3.443 10 30 DGEERN Cn1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c([C@@H]2CCOC2)n1 ZINC000328644874 400184022 /nfs/dbraw/zinc/18/40/22/400184022.db2.gz ZMLFCFMGTDHQGM-IIAWOOMASA-N 0 0 317.433 3.197 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1ccc(=O)[nH]c1C ZINC000328630485 400184174 /nfs/dbraw/zinc/18/41/74/400184174.db2.gz PYGGVCBTRLGCPJ-NSHDSACASA-N 0 0 317.414 3.285 10 30 DGEERN CC(C)COc1ncc(CNc2ccc(C#N)nn2)cc1Cl ZINC000091679135 400131153 /nfs/dbraw/zinc/13/11/53/400131153.db2.gz ZOQHSUMCJNQWOX-UHFFFAOYSA-N 0 0 317.780 3.044 10 30 DGEERN COc1ccccc1C1(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609228812 400153081 /nfs/dbraw/zinc/15/30/81/400153081.db2.gz QQJLGXCNUQQUKM-UHFFFAOYSA-N 0 0 324.355 3.054 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccccn2)c(F)c1 ZINC000609252803 400153849 /nfs/dbraw/zinc/15/38/49/400153849.db2.gz LPQGTFXTTPOMKO-KRWDZBQOSA-N 0 0 324.359 3.139 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cc(F)cc(F)c2)c(F)c1 ZINC000609252222 400154024 /nfs/dbraw/zinc/15/40/24/400154024.db2.gz LQWBXBOJPZXKMT-UHFFFAOYSA-N 0 0 305.259 3.297 10 30 DGEERN N#Cc1ccc(CNC(=O)NCCC2CCCCC2)c(F)c1 ZINC000609240243 400154121 /nfs/dbraw/zinc/15/41/21/400154121.db2.gz WUWSIGNTDDBYON-UHFFFAOYSA-N 0 0 303.381 3.467 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC000609252806 400154426 /nfs/dbraw/zinc/15/44/26/400154426.db2.gz LPQGTFXTTPOMKO-QGZVFWFLSA-N 0 0 324.359 3.139 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000616478289 400155788 /nfs/dbraw/zinc/15/57/88/400155788.db2.gz OCIGCELNNHVMOD-BBWFWOEESA-N 0 0 320.477 3.132 10 30 DGEERN CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000015800995 400168367 /nfs/dbraw/zinc/16/83/67/400168367.db2.gz IHOHXJLAZPPYTO-ZDUSSCGKSA-N 0 0 310.353 3.363 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000015801024 400168541 /nfs/dbraw/zinc/16/85/41/400168541.db2.gz ROMRWHIILWXRLQ-CYBMUJFWSA-N 0 0 306.365 3.453 10 30 DGEERN C=CCn1c(Sc2cc(C#N)nc(C3CC3)n2)nnc1C1CC1 ZINC000601100404 400232549 /nfs/dbraw/zinc/23/25/49/400232549.db2.gz BQWBAYZUDLKQGE-UHFFFAOYSA-N 0 0 324.413 3.032 10 30 DGEERN C=CCC1(c2nc(C3(COC)CCOCC3)no2)CCCC1 ZINC000351141768 400235941 /nfs/dbraw/zinc/23/59/41/400235941.db2.gz BFVHTUGDDZTJMY-UHFFFAOYSA-N 0 0 306.406 3.152 10 30 DGEERN C=CCOCCCc1nc([C@H](Cc2ccccc2)OC)no1 ZINC000351139604 400235960 /nfs/dbraw/zinc/23/59/60/400235960.db2.gz HJJGNMADHXTEIM-HNNXBMFYSA-N 0 0 302.374 3.135 10 30 DGEERN C=CCC1(c2nc(-c3ccc4nccnc4c3)no2)CCOCC1 ZINC000351365959 400249150 /nfs/dbraw/zinc/24/91/50/400249150.db2.gz ZBHUOMJSQOUCRX-UHFFFAOYSA-N 0 0 322.368 3.304 10 30 DGEERN CC(C)(C)OC(=O)N1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616652878 400194142 /nfs/dbraw/zinc/19/41/42/400194142.db2.gz QJZLDFVKOZLRHK-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN CC(=O)N1CCCc2cc(NC(=O)C3(C#N)CC4(CC4)C3)ccc21 ZINC000601027730 400206532 /nfs/dbraw/zinc/20/65/32/400206532.db2.gz XTSRUZUIFVKQEU-UHFFFAOYSA-N 0 0 323.396 3.008 10 30 DGEERN N#Cc1c(F)cccc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000092825916 400206827 /nfs/dbraw/zinc/20/68/27/400206827.db2.gz XLIMKFXLIURFLM-GFCCVEGCSA-N 0 0 311.364 3.008 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC ZINC000616697737 400207933 /nfs/dbraw/zinc/20/79/33/400207933.db2.gz GNYBFCKMPUTFDT-UHFFFAOYSA-N 0 0 301.390 3.238 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCO[C@H](c3ccccc3)C2)c1 ZINC000610521473 400270363 /nfs/dbraw/zinc/27/03/63/400270363.db2.gz VMKIFBLEQIJVMX-IBGZPJMESA-N 0 0 320.392 3.091 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCS[C@@H](c3ccccc3)C2)c1 ZINC000610522172 400270667 /nfs/dbraw/zinc/27/06/67/400270667.db2.gz CNPNKZXCJPVOHU-GOSISDBHSA-N 0 0 322.433 3.417 10 30 DGEERN CC[C@@H](C#N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000390708691 400271819 /nfs/dbraw/zinc/27/18/19/400271819.db2.gz IHSCNYZNKUJGNY-INIZCTEOSA-N 0 0 308.381 3.432 10 30 DGEERN Cc1nnc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C1CC1 ZINC000610604092 400280994 /nfs/dbraw/zinc/28/09/94/400280994.db2.gz WTHLVOMDQVXIKX-ROUUACIJSA-N 0 0 321.428 3.193 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617036428 400287590 /nfs/dbraw/zinc/28/75/90/400287590.db2.gz ATCKEBWOXNDSDT-YOEHRIQHSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000617036735 400287712 /nfs/dbraw/zinc/28/77/12/400287712.db2.gz DVRGCESPUKBCAL-IAGOWNOFSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)c1cccs1 ZINC000617037658 400287834 /nfs/dbraw/zinc/28/78/34/400287834.db2.gz PJZCNRRSQJXVFY-ZIAGYGMSSA-N 0 0 320.458 3.071 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000617035827 400288067 /nfs/dbraw/zinc/28/80/67/400288067.db2.gz SXSUDDHHQCADBE-JKSUJKDBSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)COCc1cccc(OC)c1 ZINC000617037322 400288127 /nfs/dbraw/zinc/28/81/27/400288127.db2.gz LQLBWVKGDWXEME-WMZOPIPTSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000617037595 400288184 /nfs/dbraw/zinc/28/81/84/400288184.db2.gz OVGQTOYYHZDIOD-DOTOQJQBSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCCCC1 ZINC000617039113 400288778 /nfs/dbraw/zinc/28/87/78/400288778.db2.gz CHGXEVVYCHIEOJ-WBVHZDCISA-N 0 0 320.477 3.324 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000617039759 400288847 /nfs/dbraw/zinc/28/88/47/400288847.db2.gz LQNUPVFRQPYKCM-MZMPZRCHSA-N 0 0 317.477 3.467 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000617039444 400289250 /nfs/dbraw/zinc/28/92/50/400289250.db2.gz HJJBPKAZZGMBOF-QGPMSJSTSA-N 0 0 317.429 3.197 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCn1c(C)c(C)sc1=O ZINC000617040434 400289843 /nfs/dbraw/zinc/28/98/43/400289843.db2.gz UHBUFGXNLNGWRZ-HUUCEWRRSA-N 0 0 322.474 3.168 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCn1c(C)c(C)sc1=O ZINC000617040435 400289850 /nfs/dbraw/zinc/28/98/50/400289850.db2.gz UHBUFGXNLNGWRZ-LSDHHAIUSA-N 0 0 322.474 3.168 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000617041571 400290151 /nfs/dbraw/zinc/29/01/51/400290151.db2.gz FZERVEYEGLBVSP-KBXCAEBGSA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000617040398 400290307 /nfs/dbraw/zinc/29/03/07/400290307.db2.gz TZQGICDFXRCYML-MAZHCROVSA-N 0 0 303.450 3.392 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(CC(F)F)CC1 ZINC000617042513 400290943 /nfs/dbraw/zinc/29/09/43/400290943.db2.gz SGOYNSGQMONNRU-UKRRQHHQSA-N 0 0 314.420 3.215 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000617042068 400290979 /nfs/dbraw/zinc/29/09/79/400290979.db2.gz MSLCNLXULMDDNH-XJKSGUPXSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1ccccc1OC ZINC000617042821 400291054 /nfs/dbraw/zinc/29/10/54/400291054.db2.gz WCFDGAQBCVQKKJ-UKRRQHHQSA-N 0 0 301.386 3.129 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000617043093 400291094 /nfs/dbraw/zinc/29/10/94/400291094.db2.gz ZJBITRNCMVYLLW-BBRMVZONSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000617045093 400292240 /nfs/dbraw/zinc/29/22/40/400292240.db2.gz XAVKLZRUTCNNNC-YPMHNXCESA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1nn(C)c2ccccc12 ZINC000617045233 400292468 /nfs/dbraw/zinc/29/24/68/400292468.db2.gz XVRHGPATRSRYDB-GDBMZVCRSA-N 0 0 311.429 3.367 10 30 DGEERN CCCCCCCCOc1cc(C(=O)OC)nc(C(=O)OC)c1 ZINC000105846044 400324208 /nfs/dbraw/zinc/32/42/08/400324208.db2.gz WTEKMFSKJPMNOT-UHFFFAOYSA-N 0 0 323.389 3.394 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1C ZINC000504468354 400306668 /nfs/dbraw/zinc/30/66/68/400306668.db2.gz FCJITNMWQDLGSN-GOEBONIOSA-N 0 0 314.429 3.296 10 30 DGEERN CCC1(CC)[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H](C)[C@H]1OC ZINC000504411246 400306670 /nfs/dbraw/zinc/30/66/70/400306670.db2.gz NAJLQHJTHJZLFK-RRFJBIMHSA-N 0 0 321.465 3.161 10 30 DGEERN C[C@@H](Nc1ccc(C#N)nc1)C1CCN(CC(F)(F)F)CC1 ZINC000589596453 400306552 /nfs/dbraw/zinc/30/65/52/400306552.db2.gz WCKWSTHTRPVOHJ-LLVKDONJSA-N 0 0 312.339 3.028 10 30 DGEERN N#Cc1ccsc1C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000610918526 400324900 /nfs/dbraw/zinc/32/49/00/400324900.db2.gz BMZJBJSHOPHSHB-UHFFFAOYSA-N 0 0 304.321 3.368 10 30 DGEERN N#Cc1ccc(F)c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029658399 400313340 /nfs/dbraw/zinc/31/33/40/400313340.db2.gz JABLXCBKQNQFPJ-SFHVURJKSA-N 0 0 314.335 3.410 10 30 DGEERN N#CCn1c(C(=O)N[C@H]2CCCC(F)(F)C2)cc2ccccc21 ZINC000610863026 400316565 /nfs/dbraw/zinc/31/65/65/400316565.db2.gz NUKBNQIFRGDSFT-ZDUSSCGKSA-N 0 0 317.339 3.473 10 30 DGEERN Cc1nc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(Cl)cc1C#N ZINC000589690273 400321416 /nfs/dbraw/zinc/32/14/16/400321416.db2.gz XHDHKVWOULOKFF-JSGCOSHPSA-N 0 0 307.825 3.148 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)NC(=O)C2CCCC2)CCCC1 ZINC000617416129 400384102 /nfs/dbraw/zinc/38/41/02/400384102.db2.gz BWHCEWJPNJFQDO-OAHLLOKOSA-N 0 0 320.477 3.324 10 30 DGEERN C=CCCC1(CNC(=O)c2cn(C(C)(C)C)nn2)CCCC1 ZINC000617418255 400385346 /nfs/dbraw/zinc/38/53/46/400385346.db2.gz XVSDUVVSOMLWPQ-UHFFFAOYSA-N 0 0 304.438 3.290 10 30 DGEERN C=CCCC1(CNC(=O)Cc2ccnc(OC)c2)CCCC1 ZINC000617417929 400385497 /nfs/dbraw/zinc/38/54/97/400385497.db2.gz MEGGDPUYYQQUOZ-UHFFFAOYSA-N 0 0 302.418 3.276 10 30 DGEERN C=CCCC1(CNC(=O)Cc2ncccc2OC)CCCC1 ZINC000617418225 400385685 /nfs/dbraw/zinc/38/56/85/400385685.db2.gz WQNKMTYDWSBHCD-UHFFFAOYSA-N 0 0 302.418 3.276 10 30 DGEERN C=CCCC1(CNC(=O)c2ccnc3c2ncn3C)CCCC1 ZINC000617417749 400385693 /nfs/dbraw/zinc/38/56/93/400385693.db2.gz FFPWZZPBDRDTQJ-UHFFFAOYSA-N 0 0 312.417 3.225 10 30 DGEERN C=CC[C@@]1(C)C(=O)N(C)[C@H](C(C)(C)C)N1C(=O)OC(C)(C)C ZINC000038316857 400394682 /nfs/dbraw/zinc/39/46/82/400394682.db2.gz UDCNIKPKDKYELM-SJCJKPOMSA-N 0 0 310.438 3.403 10 30 DGEERN C=CCCCCCNC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000578880820 400332195 /nfs/dbraw/zinc/33/21/95/400332195.db2.gz MUMAWPYWRNVCPU-CQSZACIVSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCCCCCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000578880812 400332706 /nfs/dbraw/zinc/33/27/06/400332706.db2.gz MUMAWPYWRNVCPU-AWEZNQCLSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1ccsc1CC(=O)OC ZINC000601745182 400343614 /nfs/dbraw/zinc/34/36/14/400343614.db2.gz SBBYDNCNYJTXLW-UHFFFAOYSA-N 0 0 309.431 3.186 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000601781510 400348158 /nfs/dbraw/zinc/34/81/58/400348158.db2.gz IICZCUXMRFVXIE-VHSXEESVSA-N 0 0 315.822 3.129 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1csc(C(F)(F)F)c1)C(=O)OC ZINC000601783218 400349457 /nfs/dbraw/zinc/34/94/57/400349457.db2.gz ALXIGRZXTCNOMM-VIFPVBQESA-N 0 0 321.320 3.005 10 30 DGEERN C=C(C)[C@@H](CO)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000611192163 400357193 /nfs/dbraw/zinc/35/71/93/400357193.db2.gz LNHAGMCFJUSNFV-LLVKDONJSA-N 0 0 318.192 3.386 10 30 DGEERN C=C[C@H](CC(=O)N1C2CCC1(C(=O)OC)CC2)c1ccccc1 ZINC000601830315 400361650 /nfs/dbraw/zinc/36/16/50/400361650.db2.gz AFSUPBDQMVMBHL-ICXUMSERSA-N 0 0 313.397 3.043 10 30 DGEERN CC(C)C[C@H](C#N)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000611251211 400364899 /nfs/dbraw/zinc/36/48/99/400364899.db2.gz RPHDYDGSPOTUJG-WBVHZDCISA-N 0 0 313.401 3.016 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601859951 400366329 /nfs/dbraw/zinc/36/63/29/400366329.db2.gz CZHQFDPDMFOGJD-UONOGXRCSA-N 0 0 301.438 3.181 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601872976 400368126 /nfs/dbraw/zinc/36/81/26/400368126.db2.gz BVAJPTLFXUDQSS-QLFBSQMISA-N 0 0 301.438 3.496 10 30 DGEERN C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601875614 400369408 /nfs/dbraw/zinc/36/94/08/400369408.db2.gz XBPPXSGBIQHQRM-GDBMZVCRSA-N 0 0 322.416 3.045 10 30 DGEERN CC(=O)N(Cc1ccc(NC(=O)CC2(C#N)CC2)cc1)C(C)C ZINC000590258940 400372466 /nfs/dbraw/zinc/37/24/66/400372466.db2.gz PSJZEWWPSSMEHW-UHFFFAOYSA-N 0 0 313.401 3.076 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000041807729 400414016 /nfs/dbraw/zinc/41/40/16/400414016.db2.gz FQUGYAXHEGLPJB-XJKSGUPXSA-N 0 0 300.402 3.319 10 30 DGEERN O[C@H]1CC[C@H](Nc2ncc(C#Cc3ccccc3)cc2F)CC1 ZINC000116753373 400412668 /nfs/dbraw/zinc/41/26/68/400412668.db2.gz NPOYSOMBYNGHJU-CALCHBBNSA-N 0 0 310.372 3.336 10 30 DGEERN C=CCCNC(=O)c1cnn(-c2ccccc2C)c1C(F)F ZINC000617611361 400425435 /nfs/dbraw/zinc/42/54/35/400425435.db2.gz WGBSYPCNYKCROT-UHFFFAOYSA-N 0 0 305.328 3.424 10 30 DGEERN C=CCN(C(=O)c1[nH]c2ccc(C)cc2c1C)[C@H](C)COC ZINC000617580949 400418264 /nfs/dbraw/zinc/41/82/64/400418264.db2.gz IJUSRYHTBVKFKO-CYBMUJFWSA-N 0 0 300.402 3.448 10 30 DGEERN CCC[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccn1 ZINC000611544048 400418978 /nfs/dbraw/zinc/41/89/78/400418978.db2.gz VBOOXPBFNKHKAC-OAHLLOKOSA-N 0 0 300.406 3.258 10 30 DGEERN C=CCN(C(=O)c1ccc(C(F)(F)F)c(O)c1)[C@H](C)COC ZINC000617582806 400419203 /nfs/dbraw/zinc/41/92/03/400419203.db2.gz VOSDCINJLYLQGG-SNVBAGLBSA-N 0 0 317.307 3.074 10 30 DGEERN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Cc1cccc(C#N)c1 ZINC000611548125 400420200 /nfs/dbraw/zinc/42/02/00/400420200.db2.gz FHPFZOVPGRHNOO-RISCZKNCSA-N 0 0 310.319 3.290 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NC1CCC(C(=O)OC)CC1 ZINC000602250845 400430693 /nfs/dbraw/zinc/43/06/93/400430693.db2.gz VDCUCGKHNFJMLV-UHFFFAOYSA-N 0 0 310.438 3.010 10 30 DGEERN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120725802 400448046 /nfs/dbraw/zinc/44/80/46/400448046.db2.gz QISCLNUSNYNXLF-DTWKUNHWSA-N 0 0 319.207 3.474 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000602377051 400448205 /nfs/dbraw/zinc/44/82/05/400448205.db2.gz NHHBNYZRTMRHIG-LLVKDONJSA-N 0 0 306.387 3.355 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](C)c2cscn2)cc1OC ZINC000617829548 400460458 /nfs/dbraw/zinc/46/04/58/400460458.db2.gz IRGQMGAEKPGKMY-LLVKDONJSA-N 0 0 318.398 3.208 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000617778312 400451477 /nfs/dbraw/zinc/45/14/77/400451477.db2.gz CUHSDDQUPNYTEF-ZDUSSCGKSA-N 0 0 312.413 3.345 10 30 DGEERN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC[C@](C)(C#N)C1 ZINC000612167006 400503325 /nfs/dbraw/zinc/50/33/25/400503325.db2.gz ZGYSJRYFKRQBLC-GDBMZVCRSA-N 0 0 324.783 3.319 10 30 DGEERN C[C@H](NCc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000612204210 400507221 /nfs/dbraw/zinc/50/72/21/400507221.db2.gz OJTMYPALSOGLDF-LBPRGKRZSA-N 0 0 308.360 3.435 10 30 DGEERN Cc1ccc(OCCN(C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000045027336 400508918 /nfs/dbraw/zinc/50/89/18/400508918.db2.gz PCVDEYPGDJVRQS-UHFFFAOYSA-N 0 0 309.369 3.409 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCc1cccc(OC)n1 ZINC000129361252 400525199 /nfs/dbraw/zinc/52/51/99/400525199.db2.gz FZXJOXHGDHBSKL-UHFFFAOYSA-N 0 0 317.414 3.050 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CCC(C)C)CC1 ZINC000612360487 400530064 /nfs/dbraw/zinc/53/00/64/400530064.db2.gz FGFWNIGXPUZSEM-KRWDZBQOSA-N 0 0 308.466 3.132 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@](C)(C#N)C1 ZINC000591621753 400546683 /nfs/dbraw/zinc/54/66/83/400546683.db2.gz PRKFJFAZXBKRHN-CZUORRHYSA-N 0 0 317.462 3.162 10 30 DGEERN C=CCC1(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000618250475 400551282 /nfs/dbraw/zinc/55/12/82/400551282.db2.gz CGLSLALZFPNZSW-VXGBXAGGSA-N 0 0 305.340 3.207 10 30 DGEERN C=CCC1(C(=O)Nc2scc(C(=O)OC)c2C)CCOCC1 ZINC000591774269 400555653 /nfs/dbraw/zinc/55/56/53/400555653.db2.gz GDXPPLRNWIRPLT-UHFFFAOYSA-N 0 0 323.414 3.155 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2c(C#N)nnc3ccccc32)c1 ZINC000075066403 400557646 /nfs/dbraw/zinc/55/76/46/400557646.db2.gz QVSBUUQOMNRLGM-UHFFFAOYSA-N 0 0 317.352 3.228 10 30 DGEERN C=C(C)C[C@H](NCc1cc(Cl)cc(Cl)c1N)C(=O)OC ZINC000602737425 400557914 /nfs/dbraw/zinc/55/79/14/400557914.db2.gz BWDOHYGXABJHLI-LBPRGKRZSA-N 0 0 317.216 3.173 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H]2CCCCO2)n1CC1CC1 ZINC000612933391 400628446 /nfs/dbraw/zinc/62/84/46/400628446.db2.gz LSQNKPBPAUWPEU-HNNXBMFYSA-N 0 0 304.438 3.332 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H](C(=O)OC)C(C)(C)C)c1ccccc1 ZINC000134961950 400582699 /nfs/dbraw/zinc/58/26/99/400582699.db2.gz RRSBVASTGPMAQY-CJNGLKHVSA-N 0 0 303.402 3.050 10 30 DGEERN C=CCCOCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000144202137 400640980 /nfs/dbraw/zinc/64/09/80/400640980.db2.gz NMBBJRGEQVBJQY-UHFFFAOYSA-N 0 0 320.389 3.404 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592090402 400604870 /nfs/dbraw/zinc/60/48/70/400604870.db2.gz SGBQWHKFZZYJPW-KFWWJZLASA-N 0 0 314.495 3.283 10 30 DGEERN C=CCOCCCNC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000618517587 400609026 /nfs/dbraw/zinc/60/90/26/400609026.db2.gz ZLSLQLIGOLZEFJ-HNNXBMFYSA-N 0 0 309.793 3.010 10 30 DGEERN C=CCOCCCNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000618516021 400609123 /nfs/dbraw/zinc/60/91/23/400609123.db2.gz IHGFVYJNVOUOSO-OAHLLOKOSA-N 0 0 303.402 3.040 10 30 DGEERN C=CCOCCCNC(=O)Cc1ccccc1OC1CCCC1 ZINC000618515615 400609227 /nfs/dbraw/zinc/60/92/27/400609227.db2.gz DSHYEMUGMKQFRG-UHFFFAOYSA-N 0 0 317.429 3.259 10 30 DGEERN C=CCOCCCNC(=O)c1cc(Br)ccc1C ZINC000618523915 400610836 /nfs/dbraw/zinc/61/08/36/400610836.db2.gz VQMSCGFQOSMAGI-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000618522863 400611023 /nfs/dbraw/zinc/61/10/23/400611023.db2.gz WPPLNESNKISSGU-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN C=CCOCCCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000618525509 400611362 /nfs/dbraw/zinc/61/13/62/400611362.db2.gz DCBUOMPGYOGZTM-UHFFFAOYSA-N 0 0 315.335 3.347 10 30 DGEERN C=CCOCCCNC(=O)c1c(C)cccc1Br ZINC000618526046 400611585 /nfs/dbraw/zinc/61/15/85/400611585.db2.gz PGIAIJFNMKMUNC-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=CCOCCCNC(=O)c1ccccc1COC(C)(C)C ZINC000618525751 400611702 /nfs/dbraw/zinc/61/17/02/400611702.db2.gz GBLLFHJLAITLTK-UHFFFAOYSA-N 0 0 305.418 3.324 10 30 DGEERN C=CCOCCCNC(=O)c1c[nH]cc1-c1ccc(C)s1 ZINC000618526089 400611862 /nfs/dbraw/zinc/61/18/62/400611862.db2.gz JUXYLQFAHMIPNV-UHFFFAOYSA-N 0 0 304.415 3.374 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCC#Cc2ccccc2)cc1 ZINC000146537459 400649364 /nfs/dbraw/zinc/64/93/64/400649364.db2.gz ATQKHAFFNSSOPP-UHFFFAOYSA-N 0 0 300.379 3.142 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603159581 400651547 /nfs/dbraw/zinc/65/15/47/400651547.db2.gz WVLLNCNFCCGIGU-PKOBYXMFSA-N 0 0 311.429 3.198 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000148929486 400657751 /nfs/dbraw/zinc/65/77/51/400657751.db2.gz HMMHMTZCKBQSMU-UHFFFAOYSA-N 0 0 309.413 3.362 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccccc2F)c1C ZINC000076491322 400658526 /nfs/dbraw/zinc/65/85/26/400658526.db2.gz QIUZUIZKGPDWDQ-UHFFFAOYSA-N 0 0 301.365 3.358 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000618671473 400662082 /nfs/dbraw/zinc/66/20/82/400662082.db2.gz CFEDPAPKAGVCNJ-ZDUSSCGKSA-N 0 0 321.380 3.032 10 30 DGEERN C=CCOCCCC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000618747133 400681881 /nfs/dbraw/zinc/68/18/81/400681881.db2.gz LXVDZOXJYHXLPV-IBGZPJMESA-N 0 0 317.429 3.168 10 30 DGEERN N#Cc1cc(F)c(NCC2CSC2)cc1Br ZINC000603414412 400683688 /nfs/dbraw/zinc/68/36/88/400683688.db2.gz REMIZDOEAZJBPW-UHFFFAOYSA-N 0 0 301.184 3.235 10 30 DGEERN C[C@H](OS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000166228832 400753949 /nfs/dbraw/zinc/75/39/49/400753949.db2.gz YVVKKCQXCVQIQX-LURJTMIESA-N 0 0 313.600 3.140 10 30 DGEERN N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cscn3)no2)cc1 ZINC000618956486 400726223 /nfs/dbraw/zinc/72/62/23/400726223.db2.gz USOULQRJNKNNTF-AWEZNQCLSA-N 0 0 323.381 3.406 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@](C)(CC)C2CC2)c(OC)c1 ZINC000618958895 400726997 /nfs/dbraw/zinc/72/69/97/400726997.db2.gz ZTTUYHUPUDACQN-LJQANCHMSA-N 0 0 317.429 3.497 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@@](C)(CC)C2CC2)c(OC)c1 ZINC000618958894 400727045 /nfs/dbraw/zinc/72/70/45/400727045.db2.gz ZTTUYHUPUDACQN-IBGZPJMESA-N 0 0 317.429 3.497 10 30 DGEERN Cc1ccc(-c2noc(Cn3nc(C#N)c4ccccc43)n2)cc1 ZINC000618960646 400727380 /nfs/dbraw/zinc/72/73/80/400727380.db2.gz ASEVKIBUSMPVMW-UHFFFAOYSA-N 0 0 315.336 3.315 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000077604152 400730825 /nfs/dbraw/zinc/73/08/25/400730825.db2.gz CAAHFBGTVRCREW-MRXNPFEDSA-N 0 0 319.424 3.402 10 30 DGEERN C=C(Cl)CNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000077790847 400747445 /nfs/dbraw/zinc/74/74/45/400747445.db2.gz ORTMHNJNDYGRFD-ZDUSSCGKSA-N 0 0 315.200 3.175 10 30 DGEERN COc1cc(/C=[N+](/C)O)ccc1OCc1ccc(Cl)cc1 ZINC000165672158 400752626 /nfs/dbraw/zinc/75/26/26/400752626.db2.gz ZHGXZVCARVEPJN-ZDLGFXPLSA-N 0 0 306.769 3.378 10 30 DGEERN C=CCn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000165708646 400752693 /nfs/dbraw/zinc/75/26/93/400752693.db2.gz HGZTYTQTEGFRRM-UHFFFAOYSA-N 0 0 308.135 3.407 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618851995 400701209 /nfs/dbraw/zinc/70/12/09/400701209.db2.gz RRJZQLGTSHVNIA-GOSISDBHSA-N 0 0 312.413 3.446 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC(=O)N1C ZINC000613901100 400809444 /nfs/dbraw/zinc/80/94/44/400809444.db2.gz NNMFYKFVRIGVKR-OAHLLOKOSA-N 0 0 314.429 3.488 10 30 DGEERN COc1cc(-c2nc(Cl)ccc2C#N)cc(OC)c1OC ZINC000167861879 400756895 /nfs/dbraw/zinc/75/68/95/400756895.db2.gz JPOOFPXPZXZJIJ-UHFFFAOYSA-N 0 0 304.733 3.299 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000619101241 400765937 /nfs/dbraw/zinc/76/59/37/400765937.db2.gz FQWWKYLEUFDTGL-IIDMSEBBSA-N 0 0 323.477 3.458 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000604488312 400780080 /nfs/dbraw/zinc/78/00/80/400780080.db2.gz HIBIHFZYUVSNFH-CYBMUJFWSA-N 0 0 308.447 3.365 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CCC ZINC000604488403 400780082 /nfs/dbraw/zinc/78/00/82/400780082.db2.gz VJKXSSWJHHUXJD-ZDUSSCGKSA-N 0 0 305.378 3.481 10 30 DGEERN CO[C@H](C)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000171013837 400781562 /nfs/dbraw/zinc/78/15/62/400781562.db2.gz RILFYBSTDNWXKJ-GFCCVEGCSA-N 0 0 316.382 3.066 10 30 DGEERN C=CCNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000053512288 400788244 /nfs/dbraw/zinc/78/82/44/400788244.db2.gz FHLSXIQZFYILBD-GFCCVEGCSA-N 0 0 301.415 3.371 10 30 DGEERN C=CCC(CC=C)C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593223613 400793928 /nfs/dbraw/zinc/79/39/28/400793928.db2.gz XLDOREVNEYSBBV-UKRRQHHQSA-N 0 0 307.434 3.476 10 30 DGEERN C[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000614300269 400873330 /nfs/dbraw/zinc/87/33/30/400873330.db2.gz CBJBAGWBLNKECR-MLGOLLRUSA-N 0 0 310.353 3.470 10 30 DGEERN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000619658563 400878718 /nfs/dbraw/zinc/87/87/18/400878718.db2.gz JRLASBJRKDPXIZ-YXGQEBDGSA-N 0 0 311.429 3.346 10 30 DGEERN N#CC1(c2ccc(C(=O)NCc3cc(F)ccc3F)cc2)CC1 ZINC000180421371 400884074 /nfs/dbraw/zinc/88/40/74/400884074.db2.gz KCOHUXIIAOCXOJ-UHFFFAOYSA-N 0 0 312.319 3.450 10 30 DGEERN C=C[C@@](C)(O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000614002768 400825222 /nfs/dbraw/zinc/82/52/22/400825222.db2.gz LGZMYKRQFSVYPC-CQSZACIVSA-N 0 0 301.308 3.402 10 30 DGEERN C=CCn1c(C)nnc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000078778135 400825659 /nfs/dbraw/zinc/82/56/59/400825659.db2.gz ULEIUASXBLSXFG-SECBINFHSA-N 0 0 307.423 3.306 10 30 DGEERN 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C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000628142530 401532892 /nfs/dbraw/zinc/53/28/92/401532892.db2.gz HIJXVNHMEJOKRL-BBWFWOEESA-N 0 0 314.429 3.390 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H](C)COc2ccc(F)cc2F)C1 ZINC000623497195 401533150 /nfs/dbraw/zinc/53/31/50/401533150.db2.gz AEPRIIRXSQVADG-STQMWFEESA-N 0 0 324.371 3.340 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](COC)c2ccc(CC)o2)C1 ZINC000623661081 401564839 /nfs/dbraw/zinc/56/48/39/401564839.db2.gz HPGJAOXPHPSPIN-UKRRQHHQSA-N 0 0 306.406 3.137 10 30 DGEERN C=CC(C)(C)CCNC(=O)CCc1cc(OC)c(O)c(OC)c1 ZINC000628311715 401573897 /nfs/dbraw/zinc/57/38/97/401573897.db2.gz WREZFAPEVJQHBV-UHFFFAOYSA-N 0 0 321.417 3.061 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cn(C)nc1-c1cccs1 ZINC000628314753 401574373 /nfs/dbraw/zinc/57/43/73/401574373.db2.gz LZNLAJPCTLBOCX-UHFFFAOYSA-N 0 0 303.431 3.481 10 30 DGEERN C=CC(C)(C)CCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000628313245 401574528 /nfs/dbraw/zinc/57/45/28/401574528.db2.gz IYPTUPDUXASBCR-NSHDSACASA-N 0 0 317.355 3.175 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000628314917 401574652 /nfs/dbraw/zinc/57/46/52/401574652.db2.gz RFJMOGYHKJSNHC-UHFFFAOYSA-N 0 0 304.365 3.043 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cnn(-c2nc(CC)cs2)c1 ZINC000628315012 401574927 /nfs/dbraw/zinc/57/49/27/401574927.db2.gz VWYRDWUBCRJYQG-UHFFFAOYSA-N 0 0 318.446 3.223 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000628317019 401575222 /nfs/dbraw/zinc/57/52/22/401575222.db2.gz SQBLPVZSMPZLCG-CVEARBPZSA-N 0 0 320.477 3.134 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000628315337 401575240 /nfs/dbraw/zinc/57/52/40/401575240.db2.gz HYMXCIHBJMNXCP-GJZGRUSLSA-N 0 0 315.413 3.280 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1nn(-c2ccccc2)cc1OC ZINC000628318132 401575463 /nfs/dbraw/zinc/57/54/63/401575463.db2.gz PYIIFUCCYJJGER-UHFFFAOYSA-N 0 0 313.401 3.213 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccccc1S(=O)(=O)C(C)C ZINC000628317507 401575486 /nfs/dbraw/zinc/57/54/86/401575486.db2.gz MXFADZPFQVKEQK-UHFFFAOYSA-N 0 0 323.458 3.201 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cccnc1N1CCCCC1 ZINC000628317295 401575680 /nfs/dbraw/zinc/57/56/80/401575680.db2.gz DCMIIIWMODTTQW-UHFFFAOYSA-N 0 0 301.434 3.404 10 30 DGEERN C=CCCOCCNC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000632129340 401581493 /nfs/dbraw/zinc/58/14/93/401581493.db2.gz IDECKKDFVQTSIB-SFHVURJKSA-N 0 0 316.445 3.454 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000623856505 401588578 /nfs/dbraw/zinc/58/85/78/401588578.db2.gz WXROCBGYOOTQEY-WOPDTQHZSA-N 0 0 308.344 3.092 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000623857144 401589113 /nfs/dbraw/zinc/58/91/13/401589113.db2.gz JTUCFMHPWWMXPQ-NEPJUHHUSA-N 0 0 318.343 3.031 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@H](C)COc2ccccc2OC)C1 ZINC000632204275 401589791 /nfs/dbraw/zinc/58/97/91/401589791.db2.gz JTXUAIXJOMZLIU-AWEZNQCLSA-N 0 0 303.402 3.183 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCOc3c(OC)cccc32)C1 ZINC000623541857 401542671 /nfs/dbraw/zinc/54/26/71/401542671.db2.gz ATUSKEOMGBRSSZ-ZFWWWQNUSA-N 0 0 316.401 3.126 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000623590187 401551890 /nfs/dbraw/zinc/55/18/90/401551890.db2.gz HQYHZFQHUHVRJZ-CABCVRRESA-N 0 0 300.402 3.160 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC000628216660 401552547 /nfs/dbraw/zinc/55/25/47/401552547.db2.gz WMPHBIBOYIBUCU-IXDOHACOSA-N 0 0 320.477 3.298 10 30 DGEERN C=CCN(CCOC)C(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000632750480 401623203 /nfs/dbraw/zinc/62/32/03/401623203.db2.gz ZHFKSFUHSPPOEI-SFHVURJKSA-N 0 0 316.445 3.407 10 30 DGEERN C=CCOCC(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 ZINC000628657035 401624061 /nfs/dbraw/zinc/62/40/61/401624061.db2.gz IAQFWJQTGGAKKX-UHFFFAOYSA-N 0 0 311.385 3.028 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000633055022 401647651 /nfs/dbraw/zinc/64/76/51/401647651.db2.gz AUHOUDUXPGVLNV-CYBMUJFWSA-N 0 0 320.481 3.260 10 30 DGEERN C=CCC(C)(C)CNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000624111696 401627644 /nfs/dbraw/zinc/62/76/44/401627644.db2.gz BIGUKTYYDBRQOP-INIZCTEOSA-N 0 0 302.418 3.029 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CSc3ccccc32)C1 ZINC000624136207 401631189 /nfs/dbraw/zinc/63/11/89/401631189.db2.gz AIEAZSIZXDSUGQ-KGLIPLIRSA-N 0 0 302.443 3.484 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1c(C)nn(COCC)c1C ZINC000632849771 401631806 /nfs/dbraw/zinc/63/18/06/401631806.db2.gz QFKWBQOXYVMYQU-CZUORRHYSA-N 0 0 321.465 3.143 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000624162667 401633721 /nfs/dbraw/zinc/63/37/21/401633721.db2.gz HTMJOXIYIZUMIJ-CVEARBPZSA-N 0 0 317.433 3.203 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000624169793 401634478 /nfs/dbraw/zinc/63/44/78/401634478.db2.gz YAHIDLRSTGIEIF-JKSUJKDBSA-N 0 0 302.418 3.453 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CCCc2c1cnn2C ZINC000632909657 401637671 /nfs/dbraw/zinc/63/76/71/401637671.db2.gz OOWHRONVTMZDJW-AWEZNQCLSA-N 0 0 304.438 3.089 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2c(Cl)cccc2OC)C1 ZINC000623933957 401601426 /nfs/dbraw/zinc/60/14/26/401601426.db2.gz YERKDJGVRLQIBM-GFCCVEGCSA-N 0 0 308.809 3.456 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000623955445 401605168 /nfs/dbraw/zinc/60/51/68/401605168.db2.gz AJJLELCJNQIEBO-VXGBXAGGSA-N 0 0 306.410 3.036 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)C1 ZINC000628482215 401605950 /nfs/dbraw/zinc/60/59/50/401605950.db2.gz HVOAWMPDJJZJKJ-MRXNPFEDSA-N 0 0 315.413 3.473 10 30 DGEERN C=CCc1cc(C(=O)N2CC[C@H](CC=C)C2)cc(OC)c1OC ZINC000628484780 401606191 /nfs/dbraw/zinc/60/61/91/401606191.db2.gz VGKWFYHPGKLFJR-AWEZNQCLSA-N 0 0 315.413 3.471 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000628485046 401606237 /nfs/dbraw/zinc/60/62/37/401606237.db2.gz AXQYVVQVYLJMNM-AWEZNQCLSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)C1 ZINC000628485494 401606240 /nfs/dbraw/zinc/60/62/40/401606240.db2.gz MKQASMGJHKSENM-CKEIUWERSA-N 0 0 312.413 3.319 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000628487292 401606916 /nfs/dbraw/zinc/60/69/16/401606916.db2.gz BVNCLBDFEFKWEF-NSHDSACASA-N 0 0 322.202 3.056 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C1 ZINC000628488310 401607325 /nfs/dbraw/zinc/60/73/25/401607325.db2.gz WMIIXPGTXOTJJX-NSHDSACASA-N 0 0 300.333 3.118 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000628492391 401607552 /nfs/dbraw/zinc/60/75/52/401607552.db2.gz TUUUBBNKWUOABE-WBVHZDCISA-N 0 0 309.413 3.356 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)C1 ZINC000628492611 401607573 /nfs/dbraw/zinc/60/75/73/401607573.db2.gz YBMKHZPTEPYIJI-ZIAGYGMSSA-N 0 0 320.458 3.384 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)[C@H]2OCCc3sccc32)C1 ZINC000628491873 401607766 /nfs/dbraw/zinc/60/77/66/401607766.db2.gz JLLMIFUZOBMKEB-XJKCOSOUSA-N 0 0 305.443 3.423 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)o2)C1 ZINC000628493474 401608048 /nfs/dbraw/zinc/60/80/48/401608048.db2.gz QKFQLSPXGGRRDN-JTQLQIEISA-N 0 0 303.280 3.259 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)C1 ZINC000628493555 401608141 /nfs/dbraw/zinc/60/81/41/401608141.db2.gz RTIXISJZOMFFRF-NSHDSACASA-N 0 0 323.318 3.391 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(O)cc(Br)c2)C1 ZINC000628494747 401608307 /nfs/dbraw/zinc/60/83/07/401608307.db2.gz YCSOPDWBAPBMRX-JTQLQIEISA-N 0 0 310.191 3.193 10 30 DGEERN C=C1CC(C)(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000632569242 401615125 /nfs/dbraw/zinc/61/51/25/401615125.db2.gz DQYAWQPFBZFXKV-UHFFFAOYSA-N 0 0 324.218 3.430 10 30 DGEERN C=CCN(C)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000632570837 401615230 /nfs/dbraw/zinc/61/52/30/401615230.db2.gz ZVUVQPOGYFLETO-DZGCQCFKSA-N 0 0 308.219 3.371 10 30 DGEERN C=CCOCCCNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000624368663 401655772 /nfs/dbraw/zinc/65/57/72/401655772.db2.gz VEXDDRNAYJTYEP-OAHLLOKOSA-N 0 0 308.809 3.219 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000624376190 401656702 /nfs/dbraw/zinc/65/67/02/401656702.db2.gz KOXQDHNXSCMZSG-HZPDHXFCSA-N 0 0 318.465 3.033 10 30 DGEERN CC#CCNC(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000633141381 401653436 /nfs/dbraw/zinc/65/34/36/401653436.db2.gz KIHWEACQNIUGRA-SFHVURJKSA-N 0 0 307.397 3.078 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC(Cc2nccs2)CC1 ZINC000633208819 401660698 /nfs/dbraw/zinc/66/06/98/401660698.db2.gz UNXZZEHCLOJWNW-CQSZACIVSA-N 0 0 307.463 3.462 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)CC(=O)N(C)C1CCCCC1 ZINC000624459364 401662451 /nfs/dbraw/zinc/66/24/51/401662451.db2.gz ADURBESGKYMUAC-UHFFFAOYSA-N 0 0 323.481 3.021 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000624464673 401662549 /nfs/dbraw/zinc/66/25/49/401662549.db2.gz KLGRRGKADULVGQ-CVEARBPZSA-N 0 0 308.466 3.437 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@](OC)(C(F)(F)F)C1 ZINC000624464044 401662619 /nfs/dbraw/zinc/66/26/19/401662619.db2.gz JRDZPIFNQPCOFA-CQSZACIVSA-N 0 0 322.371 3.342 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC(c2c[nH]nc2C)CC1 ZINC000624463271 401662648 /nfs/dbraw/zinc/66/26/48/401662648.db2.gz BVNLTGHIRHTLNO-UHFFFAOYSA-N 0 0 304.438 3.209 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000624463653 401662711 /nfs/dbraw/zinc/66/27/11/401662711.db2.gz SGYKLTNLHAUAHV-UHFFFAOYSA-N 0 0 304.438 3.344 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC1CCC(OC(F)F)CC1 ZINC000624463110 401662753 /nfs/dbraw/zinc/66/27/53/401662753.db2.gz SVHAJNRCCJHOCB-UHFFFAOYSA-N 0 0 304.381 3.438 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)[C@@H](COC)Cc1ccccc1 ZINC000624464314 401662760 /nfs/dbraw/zinc/66/27/60/401662760.db2.gz VBFMSOXGRSGDTR-QGZVFWFLSA-N 0 0 318.461 3.488 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCc2ccc(OC)cc2CC1 ZINC000624463942 401662777 /nfs/dbraw/zinc/66/27/77/401662777.db2.gz GCJYGEVUXHHSAD-UHFFFAOYSA-N 0 0 316.445 3.408 10 30 DGEERN CC(=O)c1ccc(C#N)c(N[C@H]2COc3cccc(C)c3C2)c1 ZINC000624472463 401663469 /nfs/dbraw/zinc/66/34/69/401663469.db2.gz ARQISABBIWPNNH-MRXNPFEDSA-N 0 0 306.365 3.485 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC(Cc2nccs2)CC1 ZINC000633281395 401669290 /nfs/dbraw/zinc/66/92/90/401669290.db2.gz VJFKRQYTUDKYIR-UHFFFAOYSA-N 0 0 307.463 3.319 10 30 DGEERN C=CCOc1cccnc1-c1nc(-c2coc(C3CC3)n2)no1 ZINC000624714038 401684818 /nfs/dbraw/zinc/68/48/18/401684818.db2.gz HRRYOLGTLAGHGP-UHFFFAOYSA-N 0 0 310.313 3.229 10 30 DGEERN Cc1ccc([C@H]2CSCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000193284375 292275233 /nfs/dbraw/zinc/27/52/33/292275233.db2.gz KKNIBDMOSWKCIA-QGZVFWFLSA-N 0 0 323.421 3.192 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)sc2C1 ZINC000408232490 296765797 /nfs/dbraw/zinc/76/57/97/296765797.db2.gz OPQVJIVUCQTRFA-GMTAPVOTSA-N 0 0 304.419 3.082 10 30 DGEERN N#Cc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000170891378 164617427 /nfs/dbraw/zinc/61/74/27/164617427.db2.gz ILEMZXBGUJFGRT-ZDUSSCGKSA-N 0 0 312.398 3.426 10 30 DGEERN N#Cc1ccc(NC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171807724 164639630 /nfs/dbraw/zinc/63/96/30/164639630.db2.gz STCAUMRDGIFYDU-UHFFFAOYSA-N 0 0 320.396 3.440 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000172748699 164668712 /nfs/dbraw/zinc/66/87/12/164668712.db2.gz PDAFVIMDIRPZMM-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176192507 164776074 /nfs/dbraw/zinc/77/60/74/164776074.db2.gz GYLZOHSSNREMIB-BLLLJJGKSA-N 0 0 311.360 3.259 10 30 DGEERN Cc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)sc1C ZINC000183694287 164958374 /nfs/dbraw/zinc/95/83/74/164958374.db2.gz URPDHXYJERZMSZ-UHFFFAOYSA-N 0 0 323.381 3.070 10 30 DGEERN C[C@H](NCc1ccc(F)c(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000185485126 165005986 /nfs/dbraw/zinc/00/59/86/165005986.db2.gz SOXNGXONLVTMRK-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN CC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC000187161507 165079104 /nfs/dbraw/zinc/07/91/04/165079104.db2.gz ZWPHZVLMHXATNI-CQSZACIVSA-N 0 0 311.410 3.314 10 30 DGEERN CCc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187230570 165080576 /nfs/dbraw/zinc/08/05/76/165080576.db2.gz TWVNEWJNKWHXSJ-UHFFFAOYSA-N 0 0 304.393 3.469 10 30 DGEERN CC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000188922323 165142964 /nfs/dbraw/zinc/14/29/64/165142964.db2.gz VFBCHMMMGFAMCZ-INIZCTEOSA-N 0 0 323.396 3.462 10 30 DGEERN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(C#N)cc1 ZINC000190041602 165187824 /nfs/dbraw/zinc/18/78/24/165187824.db2.gz TWVIAVCMRZROBE-QGZVFWFLSA-N 0 0 321.380 3.190 10 30 DGEERN N#Cc1ccc(CNc2cccc(Cl)c2C(N)=O)cc1F ZINC000190381504 165200882 /nfs/dbraw/zinc/20/08/82/165200882.db2.gz ZIOCXNUPHKTAEL-UHFFFAOYSA-N 0 0 303.724 3.062 10 30 DGEERN Cc1nc(C[S@](=O)Cc2ccc(C#N)c(F)c2)sc1C ZINC000190822017 165217786 /nfs/dbraw/zinc/21/77/86/165217786.db2.gz HRNWWLJUBZZBSZ-HXUWFJFHSA-N 0 0 308.403 3.220 10 30 DGEERN C[C@H](c1ccccc1)S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000190889413 165218912 /nfs/dbraw/zinc/21/89/12/165218912.db2.gz BRBJRYNYMGPVLR-GFCCVEGCSA-N 0 0 303.358 3.373 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(C#N)cs1 ZINC000191450679 165250844 /nfs/dbraw/zinc/25/08/44/165250844.db2.gz NWOLUWSJADSDME-UHFFFAOYSA-N 0 0 308.366 3.366 10 30 DGEERN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccnc(C#N)c1 ZINC000192583591 165298814 /nfs/dbraw/zinc/29/88/14/165298814.db2.gz SPGCBFDBNDPMBF-JTQLQIEISA-N 0 0 301.296 3.065 10 30 DGEERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccnc(C#N)c1 ZINC000192701121 165302898 /nfs/dbraw/zinc/30/28/98/165302898.db2.gz GXWNXYXTFNMSCY-UHFFFAOYSA-N 0 0 322.368 3.109 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000192706376 165302911 /nfs/dbraw/zinc/30/29/11/165302911.db2.gz JCXIPKIAODOVSW-JTQLQIEISA-N 0 0 317.295 3.046 10 30 DGEERN Cc1c2cc(F)ccc2oc1CNC(=O)c1ccnc(C#N)c1 ZINC000192909434 165309620 /nfs/dbraw/zinc/30/96/20/165309620.db2.gz PLFKDJXQTRNXGT-UHFFFAOYSA-N 0 0 309.300 3.077 10 30 DGEERN CN(CCc1cccc2ccccc21)C(=O)c1ccnc(C#N)c1 ZINC000193056981 165316585 /nfs/dbraw/zinc/31/65/85/165316585.db2.gz XVVSFYVVGLWBSQ-UHFFFAOYSA-N 0 0 315.376 3.421 10 30 DGEERN CC(C)(CNC(=O)c1ccnc(C#N)c1)c1ccccc1Cl ZINC000193136082 165318671 /nfs/dbraw/zinc/31/86/71/165318671.db2.gz FNDITGJCIZVGSX-UHFFFAOYSA-N 0 0 313.788 3.314 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccn1 ZINC000193393387 165324995 /nfs/dbraw/zinc/32/49/95/165324995.db2.gz RUHMFCNZBMHYNY-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN N#Cc1ccccc1OCCN1CCc2[nH]c3ccccc3c2C1 ZINC000171620293 432152955 /nfs/dbraw/zinc/15/29/55/432152955.db2.gz OXHDRRPNAOLHOR-UHFFFAOYSA-N 0 0 317.392 3.477 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1ccc(F)cc1 ZINC000129381639 196044344 /nfs/dbraw/zinc/04/43/44/196044344.db2.gz QOPWEQKOIALUAH-UHFFFAOYSA-N 0 0 320.327 3.147 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccccc1 ZINC000129434181 196047972 /nfs/dbraw/zinc/04/79/72/196047972.db2.gz LISFQRWSLPCQLM-UHFFFAOYSA-N 0 0 304.353 3.204 10 30 DGEERN C=CCCS(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000190560299 432171623 /nfs/dbraw/zinc/17/16/23/432171623.db2.gz VYFVOPNMVCGWFU-UHFFFAOYSA-N 0 0 321.364 3.347 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@H](C)c2ccccc2OC)s1 ZINC000269333459 432163902 /nfs/dbraw/zinc/16/39/02/432163902.db2.gz YNWLWQFJWOARNL-LLVKDONJSA-N 0 0 317.414 3.241 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000171723281 432165728 /nfs/dbraw/zinc/16/57/28/432165728.db2.gz UHVWKEOQZMOXQB-QGZVFWFLSA-N 0 0 316.364 3.057 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NCCc1ccsc1 ZINC000171830253 432177909 /nfs/dbraw/zinc/17/79/09/432177909.db2.gz ANDPVVOUABQWJX-UHFFFAOYSA-N 0 0 316.426 3.355 10 30 DGEERN CC1(C)CN(C(=O)c2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000190675732 432182237 /nfs/dbraw/zinc/18/22/37/432182237.db2.gz PHYIXYFZOPXPHN-GFCCVEGCSA-N 0 0 311.307 3.004 10 30 DGEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1O ZINC000190736618 432184605 /nfs/dbraw/zinc/18/46/05/432184605.db2.gz CCGMICUTGDCWPY-QGZVFWFLSA-N 0 0 324.355 3.250 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000129853958 196080294 /nfs/dbraw/zinc/08/02/94/196080294.db2.gz VDVJPMLCJZSVSV-DYVFJYSZSA-N 0 0 306.365 3.161 10 30 DGEERN CC(C)Oc1ccc(NC(=O)[C@@H](C)c2cccnc2)cc1C#N ZINC000130782585 196109914 /nfs/dbraw/zinc/10/99/14/196109914.db2.gz ZTZJZEVGEWTFLZ-ZDUSSCGKSA-N 0 0 309.369 3.483 10 30 DGEERN C[C@H](SC1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130830516 196114483 /nfs/dbraw/zinc/11/44/83/196114483.db2.gz MDHUYHCXXPXECO-JTQLQIEISA-N 0 0 324.833 3.451 10 30 DGEERN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247157462 432207142 /nfs/dbraw/zinc/20/71/42/432207142.db2.gz ZBNBWJVLFAYZBD-SQWLQELKSA-N 0 0 300.402 3.411 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NCCCCSC ZINC000172409658 432213793 /nfs/dbraw/zinc/21/37/93/432213793.db2.gz TWIDBRACOLMIIW-UHFFFAOYSA-N 0 0 307.419 3.222 10 30 DGEERN N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCCOC1 ZINC000182779341 432227318 /nfs/dbraw/zinc/22/73/18/432227318.db2.gz OQRHLQCAYZQIDJ-HNNXBMFYSA-N 0 0 322.364 3.259 10 30 DGEERN C=CCC[C@@H](C(=O)NCC1(C)OCCCO1)c1ccccc1 ZINC000191123326 432223774 /nfs/dbraw/zinc/22/37/74/432223774.db2.gz INRQKJOBPHVMMP-MRXNPFEDSA-N 0 0 303.402 3.006 10 30 DGEERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1C ZINC000133956434 196348430 /nfs/dbraw/zinc/34/84/30/196348430.db2.gz PICVFQQKJDSBFZ-GOSISDBHSA-N 0 0 322.408 3.280 10 30 DGEERN CC(C)CC1(CNC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000134177983 196368655 /nfs/dbraw/zinc/36/86/55/196368655.db2.gz QCTALAJFEXZKHM-AWEZNQCLSA-N 0 0 300.402 3.268 10 30 DGEERN N#Cc1cc(F)c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000151174602 196643213 /nfs/dbraw/zinc/64/32/13/196643213.db2.gz DTPMESIQJPVGPP-UONOGXRCSA-N 0 0 312.319 3.370 10 30 DGEERN C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1COc2ccccc21 ZINC000153206867 227082751 /nfs/dbraw/zinc/08/27/51/227082751.db2.gz RPUAKQLPVWZGGR-GUYCJALGSA-N 0 0 321.380 3.439 10 30 DGEERN Cc1ccc(C)c([C@@H]2CN(C(=O)C(C)(C)C#N)[C@H](C)CO2)c1 ZINC000174706930 228293671 /nfs/dbraw/zinc/29/36/71/228293671.db2.gz CXPUNQUQVNOZNN-ZBFHGGJFSA-N 0 0 300.402 3.142 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000161889347 228255450 /nfs/dbraw/zinc/25/54/50/228255450.db2.gz KYVSBRFMKAQPDV-UHFFFAOYSA-N 0 0 308.356 3.467 10 30 DGEERN N#CC1(NC(=O)c2ccc(OCc3ccccc3)nc2)CCCC1 ZINC000171253435 228269964 /nfs/dbraw/zinc/26/99/64/228269964.db2.gz QMTBZUYBEFXNRN-UHFFFAOYSA-N 0 0 321.380 3.227 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCOC1 ZINC000171740809 228273067 /nfs/dbraw/zinc/27/30/67/228273067.db2.gz HQPBJQYOQZXSPG-CHWSQXEVSA-N 0 0 319.430 3.239 10 30 DGEERN N#CCCCCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173068717 228278733 /nfs/dbraw/zinc/27/87/33/228278733.db2.gz OYDGVIYVOBNYFW-UHFFFAOYSA-N 0 0 310.357 3.038 10 30 DGEERN N#CCCn1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)n1 ZINC000173440437 228281760 /nfs/dbraw/zinc/28/17/60/228281760.db2.gz DXAMLZCANHVPEK-UHFFFAOYSA-N 0 0 323.400 3.039 10 30 DGEERN N#CCOc1ccc(/C=C/C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000173728344 228284003 /nfs/dbraw/zinc/28/40/03/228284003.db2.gz BNOCXLACYFCGLX-VMPITWQZSA-N 0 0 310.397 3.395 10 30 DGEERN N#C[C@H](NC(=O)c1coc(Br)c1)C1CCCCC1 ZINC000176581792 228315730 /nfs/dbraw/zinc/31/57/30/228315730.db2.gz DJZULEVIPQSODX-NSHDSACASA-N 0 0 311.179 3.244 10 30 DGEERN N#C[C@@H](NC(=O)c1coc(Br)c1)C1CCCCC1 ZINC000176581807 228315738 /nfs/dbraw/zinc/31/57/38/228315738.db2.gz DJZULEVIPQSODX-LLVKDONJSA-N 0 0 311.179 3.244 10 30 DGEERN Cc1sc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1[N+](=O)[O-] ZINC000176620369 228316355 /nfs/dbraw/zinc/31/63/55/228316355.db2.gz WRZQNUXETKADJN-NSHDSACASA-N 0 0 307.375 3.167 10 30 DGEERN COC(=O)[C@@H](N[C@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000176708074 228318805 /nfs/dbraw/zinc/31/88/05/228318805.db2.gz ZQKMFJPOSLYIHB-OALUTQOASA-N 0 0 320.392 3.440 10 30 DGEERN Cc1nc(C(=O)Nc2ncccc2OCCCC#N)c(C)s1 ZINC000178494076 228342131 /nfs/dbraw/zinc/34/21/31/228342131.db2.gz FTMLFBFEBPOMSA-UHFFFAOYSA-N 0 0 316.386 3.090 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000178583212 228343904 /nfs/dbraw/zinc/34/39/04/228343904.db2.gz XNPZPMAMMPGLAA-OAHLLOKOSA-N 0 0 319.408 3.048 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000178623783 228344403 /nfs/dbraw/zinc/34/44/03/228344403.db2.gz MQHDWNJXXYUEFK-WBVHZDCISA-N 0 0 310.401 3.222 10 30 DGEERN N#Cc1ccc(NC(=O)NCCCc2ccccn2)cc1Cl ZINC000178904588 228348282 /nfs/dbraw/zinc/34/82/82/228348282.db2.gz UEKMYCIZRHVPQM-UHFFFAOYSA-N 0 0 314.776 3.361 10 30 DGEERN C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180032228 228354339 /nfs/dbraw/zinc/35/43/39/228354339.db2.gz NZXMHXJQEWUGMR-AWEZNQCLSA-N 0 0 305.381 3.470 10 30 DGEERN COC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000180234991 228355198 /nfs/dbraw/zinc/35/51/98/228355198.db2.gz KIWBOJQTCNCMKD-GOSISDBHSA-N 0 0 320.392 3.359 10 30 DGEERN C[C@H](CNc1ccccc1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181898126 228365646 /nfs/dbraw/zinc/36/56/46/228365646.db2.gz RYQDMZFREVEWJC-OAHLLOKOSA-N 0 0 319.408 3.472 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000182325262 228367729 /nfs/dbraw/zinc/36/77/29/228367729.db2.gz WASBNLYFINLCME-KRWDZBQOSA-N 0 0 307.397 3.444 10 30 DGEERN N#C[C@@H](NC(=O)Cc1ccc(O)cc1Cl)C1CCCCC1 ZINC000182559069 228369013 /nfs/dbraw/zinc/36/90/13/228369013.db2.gz OLMCNXWOHCKLOF-OAHLLOKOSA-N 0 0 306.793 3.177 10 30 DGEERN C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000188777159 228469037 /nfs/dbraw/zinc/46/90/37/228469037.db2.gz RGCSZRLKNOMLGH-CYBMUJFWSA-N 0 0 306.365 3.173 10 30 DGEERN C[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)c2ccccc2S1 ZINC000448634003 287567950 /nfs/dbraw/zinc/56/79/50/287567950.db2.gz JAQCEVOVELUZGA-GFCCVEGCSA-N 0 0 311.410 3.428 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000328893687 228918671 /nfs/dbraw/zinc/91/86/71/228918671.db2.gz VEOVZKYBDAUDFR-XZJROXQQSA-N 0 0 306.381 3.266 10 30 DGEERN Cn1cc(NC(=O)N2CCC[C@H]2C2CCCC2)c(C2CC2)n1 ZINC000329629184 228952489 /nfs/dbraw/zinc/95/24/89/228952489.db2.gz QFSDJIJUGSKBCJ-HNNXBMFYSA-N 0 0 302.422 3.498 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CSCc1ccc(Cl)cc1 ZINC000359674435 229380770 /nfs/dbraw/zinc/38/07/70/229380770.db2.gz PGWGEUWWAOSZBU-GXTWGEPZSA-N 0 0 308.834 3.382 10 30 DGEERN Cc1nccn1-c1ccc([C@H](C)Nc2ccc(C#N)nn2)cc1 ZINC000301974342 230013701 /nfs/dbraw/zinc/01/37/01/230013701.db2.gz VKTROIGDYIDRID-LBPRGKRZSA-N 0 0 304.357 3.016 10 30 DGEERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ncccc1C#N ZINC000302418202 230239473 /nfs/dbraw/zinc/23/94/73/230239473.db2.gz IJJFVEMDNWNLHO-TZMCWYRMSA-N 0 0 316.405 3.011 10 30 DGEERN C[C@H]1[C@H](Nc2ccc(C#N)nc2)CCCN1C(=O)OC(C)(C)C ZINC000302436485 230245244 /nfs/dbraw/zinc/24/52/44/230245244.db2.gz PRJHTYYTXWOVNF-SWLSCSKDSA-N 0 0 316.405 3.153 10 30 DGEERN Cc1ccc(Br)cc1CNc1cnc(C#N)cn1 ZINC000302551121 230294622 /nfs/dbraw/zinc/29/46/22/230294622.db2.gz JZNZQQZWBWNCMC-UHFFFAOYSA-N 0 0 303.163 3.031 10 30 DGEERN Cc1ccc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)nc1C#N ZINC000302597477 230310740 /nfs/dbraw/zinc/31/07/40/230310740.db2.gz BMYZYPGWCIEASE-AWEZNQCLSA-N 0 0 310.376 3.339 10 30 DGEERN COc1ccc(CCNC(=O)c2cccc(C#N)c2)c(Cl)c1 ZINC000075002688 269775754 /nfs/dbraw/zinc/77/57/54/269775754.db2.gz QZBXPJSMKSJRLQ-UHFFFAOYSA-N 0 0 314.772 3.193 10 30 DGEERN C[C@@H]1c2c(F)cccc2CCN1C(=O)Cc1cccc(C#N)c1 ZINC000530915150 269863698 /nfs/dbraw/zinc/86/36/98/269863698.db2.gz TUAVEQYPEAZOFP-CYBMUJFWSA-N 0 0 308.356 3.386 10 30 DGEERN CCCC[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000183622097 263601370 /nfs/dbraw/zinc/60/13/70/263601370.db2.gz SDMUPEQEWGKBGV-OAHLLOKOSA-N 0 0 316.401 3.189 10 30 DGEERN Cc1ccc(NCCSCc2ccccc2C#N)nc1C#N ZINC000189584254 263722076 /nfs/dbraw/zinc/72/20/76/263722076.db2.gz AFCWZZGNXBEQRG-UHFFFAOYSA-N 0 0 308.410 3.479 10 30 DGEERN CC1(C)CCCC[C@@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000194360795 263811882 /nfs/dbraw/zinc/81/18/82/263811882.db2.gz PMLWFFVDUFRGDH-MRXNPFEDSA-N 0 0 300.402 3.270 10 30 DGEERN C=Cc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000346186687 263978991 /nfs/dbraw/zinc/97/89/91/263978991.db2.gz ZNWZEIYEUNZUQM-UHFFFAOYSA-N 0 0 320.392 3.490 10 30 DGEERN Cc1cccc(CNC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000110638926 270003585 /nfs/dbraw/zinc/00/35/85/270003585.db2.gz BXEKNCSJLIZDMH-UHFFFAOYSA-N 0 0 323.396 3.127 10 30 DGEERN CC(C)(C)Oc1ccncc1NC(=O)Cc1cccc(C#N)c1 ZINC000533568444 270005119 /nfs/dbraw/zinc/00/51/19/270005119.db2.gz VAYJNPWGGHFPJE-UHFFFAOYSA-N 0 0 309.369 3.312 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000182802030 432230715 /nfs/dbraw/zinc/23/07/15/432230715.db2.gz IAAGMEYQOSISQT-GXSJLCMTSA-N 0 0 317.216 3.291 10 30 DGEERN C[C@H](C(=O)N(c1ccccc1)C1CCCCC1)n1cnc(C#N)n1 ZINC000357021831 267125660 /nfs/dbraw/zinc/12/56/60/267125660.db2.gz GBWKVJQFRLBTKC-CQSZACIVSA-N 0 0 323.400 3.077 10 30 DGEERN CN(C[C@H]1CC=CCC1)c1nnc(-c2ccc(C#N)cc2)n1C ZINC000508591633 267308401 /nfs/dbraw/zinc/30/84/01/267308401.db2.gz KAUXVLRVQLLEPX-HNNXBMFYSA-N 0 0 307.401 3.146 10 30 DGEERN Cc1cccc(C)c1OC[C@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000530908025 268050848 /nfs/dbraw/zinc/05/08/48/268050848.db2.gz QHSRBXBMEGECCF-INIZCTEOSA-N 0 0 322.408 3.301 10 30 DGEERN N#Cc1ccc(Cl)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000375753566 268096023 /nfs/dbraw/zinc/09/60/23/268096023.db2.gz AGKYYKQTJVLLRI-UHFFFAOYSA-N 0 0 323.743 3.249 10 30 DGEERN N#Cc1ccc(Cn2c(=O)sc3c2CCCCC3)cc1F ZINC000190084686 268101266 /nfs/dbraw/zinc/10/12/66/268101266.db2.gz WSTQVUZKJZQUKC-UHFFFAOYSA-N 0 0 302.374 3.238 10 30 DGEERN N#Cc1cccc(CCNC(=O)c2[nH]nc3ccc(Cl)cc32)c1 ZINC000357672427 268244171 /nfs/dbraw/zinc/24/41/71/268244171.db2.gz HTVAUQJUWLSNCG-UHFFFAOYSA-N 0 0 324.771 3.060 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000530908862 268275148 /nfs/dbraw/zinc/27/51/48/268275148.db2.gz PSLJSPAGWDCOGQ-UHFFFAOYSA-N 0 0 316.763 3.252 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC000531148835 268275793 /nfs/dbraw/zinc/27/57/93/268275793.db2.gz TYADADCSWREVHQ-SFHVURJKSA-N 0 0 304.393 3.337 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000531151149 268278483 /nfs/dbraw/zinc/27/84/83/268278483.db2.gz GZMLDXLPFOUAAP-UHFFFAOYSA-N 0 0 311.288 3.215 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000370309359 268300928 /nfs/dbraw/zinc/30/09/28/268300928.db2.gz LWVDGEHDGJZTEL-UHFFFAOYSA-N 0 0 318.348 3.213 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000362316725 268301209 /nfs/dbraw/zinc/30/12/09/268301209.db2.gz JDNAIDMWVIVOSX-UHFFFAOYSA-N 0 0 311.410 3.110 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000363393830 268302323 /nfs/dbraw/zinc/30/23/23/268302323.db2.gz WLMISUMQCCLBEA-ZDUSSCGKSA-N 0 0 300.358 3.389 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000359406064 268304642 /nfs/dbraw/zinc/30/46/42/268304642.db2.gz WPESGDYLAODTAY-UHFFFAOYSA-N 0 0 312.379 3.391 10 30 DGEERN C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)c4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000006067753 275721041 /nfs/dbraw/zinc/72/10/41/275721041.db2.gz XFBUZQAUNLRYCT-ZPNQOMQUSA-N 0 0 312.409 3.104 10 30 in-vitro DGEERN C=CC[C@H]1N(C(=O)COc2ccc(O)cc2)CCCC1(C)C ZINC000444635558 275749395 /nfs/dbraw/zinc/74/93/95/275749395.db2.gz LCHQXLXVJWKFIG-MRXNPFEDSA-N 0 0 303.402 3.364 10 30 DGEERN CCCC[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 ZINC000096336753 276244003 /nfs/dbraw/zinc/24/40/03/276244003.db2.gz ZYENLXSEZMTVGK-NSHDSACASA-N 0 0 310.357 3.251 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCc2sccc2[C@H]1C ZINC000281803443 276870276 /nfs/dbraw/zinc/87/02/76/276870276.db2.gz MVMHCAIAGMDRHJ-IOASZLSFSA-N 0 0 320.458 3.358 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CSc3ccccc32)CCOCC1 ZINC000424687305 276882940 /nfs/dbraw/zinc/88/29/40/276882940.db2.gz VIJXFBZJTHNUCF-AWEZNQCLSA-N 0 0 303.427 3.323 10 30 DGEERN C#CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184754696 277692497 /nfs/dbraw/zinc/69/24/97/277692497.db2.gz WKRLIOVNNPIBFZ-OCCSQVGLSA-N 0 0 312.196 3.211 10 30 DGEERN C=C(C)Cn1c(N(C)Cc2ccco2)nnc1[C@]1(C)CCCO1 ZINC000453470871 277785367 /nfs/dbraw/zinc/78/53/67/277785367.db2.gz RIGILEFQWRQGTI-KRWDZBQOSA-N 0 0 316.405 3.109 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453466633 277785556 /nfs/dbraw/zinc/78/55/56/277785556.db2.gz OZOSUGBNCDTNBU-YOEHRIQHSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCOc1ccccc1CNc1cc(C#N)nc(C2CC2)n1 ZINC000601115859 430535574 /nfs/dbraw/zinc/53/55/74/430535574.db2.gz LTOOAMHKECAISV-UHFFFAOYSA-N 0 0 306.369 3.403 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@](C)(CO)C(C)C)c1ccccc1 ZINC000358800401 277838567 /nfs/dbraw/zinc/83/85/67/277838567.db2.gz BIACSGCEDCAPAQ-FUHWJXTLSA-N 0 0 304.434 3.400 10 30 DGEERN CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000066054809 278076429 /nfs/dbraw/zinc/07/64/29/278076429.db2.gz JFPXRFIBKKSHGY-UHFFFAOYSA-N 0 0 305.337 3.086 10 30 DGEERN C[C@H]1COCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000193805701 278460543 /nfs/dbraw/zinc/46/05/43/278460543.db2.gz KQZWUNAQRWOVQH-WDEREUQCSA-N 0 0 304.415 3.110 10 30 DGEERN C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCCNC1=O ZINC000329872166 278620357 /nfs/dbraw/zinc/62/03/57/278620357.db2.gz CYBGKMTYEBIXRU-UKRRQHHQSA-N 0 0 315.417 3.293 10 30 DGEERN CSCCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000068456715 431128994 /nfs/dbraw/zinc/12/89/94/431128994.db2.gz DSBSUNQQVVYIQT-NSHDSACASA-N 0 0 303.214 3.427 10 30 DGEERN N#CC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCCCC1 ZINC000109053086 431165995 /nfs/dbraw/zinc/16/59/95/431165995.db2.gz LEARCSHZBCEBMU-CYBMUJFWSA-N 0 0 303.431 3.323 10 30 DGEERN C=CC12CC[NH+](CC1)[C@H]([C@@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345733 431168668 /nfs/dbraw/zinc/16/86/68/431168668.db2.gz FNBBFRCDCVFRON-OALUTQOASA-N 0 0 324.424 3.317 10 30 DGEERN CCCOc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1OCCC ZINC000108828334 431157248 /nfs/dbraw/zinc/15/72/48/431157248.db2.gz LNDCJYMBIALTHM-HNNXBMFYSA-N 0 0 316.401 3.296 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C1CC1 ZINC000108837337 431157886 /nfs/dbraw/zinc/15/78/86/431157886.db2.gz DONUBYJRPUIAEF-CYBMUJFWSA-N 0 0 301.733 3.027 10 30 DGEERN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108829237 431157998 /nfs/dbraw/zinc/15/79/98/431157998.db2.gz IWCCOWGFENXXRK-LRDDRELGSA-N 0 0 300.402 3.170 10 30 DGEERN COc1cc(C(=O)N[C@@H](C#N)C2CC2)ccc1OCCC(C)C ZINC000108843531 431160960 /nfs/dbraw/zinc/16/09/60/431160960.db2.gz PYDWWNDGHFAPMY-HNNXBMFYSA-N 0 0 316.401 3.152 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000111717915 431234719 /nfs/dbraw/zinc/23/47/19/431234719.db2.gz JVALSNZLZDQZDM-KRWDZBQOSA-N 0 0 308.385 3.042 10 30 DGEERN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@@]21C ZINC000005764426 431312612 /nfs/dbraw/zinc/31/26/12/431312612.db2.gz KQJCDKMHNQVWDV-XIPNHXGNSA-N 0 0 312.409 3.318 10 30 in-vitro DGEERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NC1(C#N)CCCC1 ZINC000112903660 431312959 /nfs/dbraw/zinc/31/29/59/431312959.db2.gz UQMRMEWUHOSPNW-SNVBAGLBSA-N 0 0 310.756 3.199 10 30 DGEERN CCCCCN1c2ccccc2C(=NNc2ccccn2)C1=O ZINC000006910337 431324025 /nfs/dbraw/zinc/32/40/25/431324025.db2.gz KGEAMYPWIMABCC-HEHNFIMWSA-N 0 0 308.385 3.435 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)c1nc(C(C)C)no1 ZINC000072921075 431360368 /nfs/dbraw/zinc/36/03/68/431360368.db2.gz APQGRXXIYHTNMU-NSHDSACASA-N 0 0 322.372 3.241 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)nc1 ZINC000115007888 431421721 /nfs/dbraw/zinc/42/17/21/431421721.db2.gz AXVJYLHAEAPAPJ-UHFFFAOYSA-N 0 0 317.801 3.497 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115040556 431424478 /nfs/dbraw/zinc/42/44/78/431424478.db2.gz JTQGOXWZMGBHLB-CQSZACIVSA-N 0 0 313.319 3.267 10 30 DGEERN N#Cc1cnc(NCC[C@H]2C(=O)Nc3ccccc32)c(Cl)c1 ZINC000114708586 431405708 /nfs/dbraw/zinc/40/57/08/431405708.db2.gz UCVKUDDPYLVHST-GFCCVEGCSA-N 0 0 312.760 3.145 10 30 DGEERN C[C@H]1C[C@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115360744 431451127 /nfs/dbraw/zinc/45/11/27/431451127.db2.gz GEQXBOKXPIKJCU-SCLBCKFNSA-N 0 0 306.365 3.275 10 30 DGEERN C=CCCCN(C)C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000076650897 431557651 /nfs/dbraw/zinc/55/76/51/431557651.db2.gz CQVALAZVOPVDSE-UHFFFAOYSA-N 0 0 309.460 3.462 10 30 DGEERN C=CC[C@H](C)NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000116862657 431534388 /nfs/dbraw/zinc/53/43/88/431534388.db2.gz HIGWVMYDRKFQKV-ZDUSSCGKSA-N 0 0 324.380 3.272 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000076947592 431565444 /nfs/dbraw/zinc/56/54/44/431565444.db2.gz JTHCIACRKKAYMP-UHFFFAOYSA-N 0 0 324.808 3.219 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1SCCC(N)=O ZINC000077444359 431596594 /nfs/dbraw/zinc/59/65/94/431596594.db2.gz YCVIXERXIHBSAF-UHFFFAOYSA-N 0 0 321.446 3.084 10 30 DGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C(C)(C)C1 ZINC000408302233 288240619 /nfs/dbraw/zinc/24/06/19/288240619.db2.gz XYQJLDPYHSMQRY-JTQLQIEISA-N 0 0 312.822 3.021 10 30 DGEERN N#Cc1cccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000025527961 431659474 /nfs/dbraw/zinc/65/94/74/431659474.db2.gz PDXIWSXPHNJKOA-UHFFFAOYSA-N 0 0 319.339 3.377 10 30 DGEERN O=C(/C=C/c1ccccc1)CCS(=O)(=O)c1ccccc1 ZINC000027436010 431690240 /nfs/dbraw/zinc/69/02/40/431690240.db2.gz CQOZNHWVUIXCGY-VAWYXSNFSA-N 0 0 300.379 3.133 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCc2occc21 ZINC000119521231 431699948 /nfs/dbraw/zinc/69/99/48/431699948.db2.gz CEOQDJNMHBXDFM-SWLSCSKDSA-N 0 0 310.353 3.112 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000029740109 431726696 /nfs/dbraw/zinc/72/66/96/431726696.db2.gz SFIMVCWUVXYQEW-XXWNAHEMSA-N 0 0 324.424 3.411 10 30 DGEERN Cc1cc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c(C)s1 ZINC000030522174 431738778 /nfs/dbraw/zinc/73/87/78/431738778.db2.gz ORVWJYZYMLKXIY-UHFFFAOYSA-N 0 0 320.439 3.057 10 30 DGEERN C=CCNC(=O)[C@@H](C)SCc1csc(Br)c1 ZINC000121996945 431808554 /nfs/dbraw/zinc/80/85/54/431808554.db2.gz KLQPMGXOYKBPGI-MRVPVSSYSA-N 0 0 320.277 3.435 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(F)ccc1C#N ZINC000122627416 431840414 /nfs/dbraw/zinc/84/04/14/431840414.db2.gz HTPZRZGNHNCEIP-UHFFFAOYSA-N 0 0 317.327 3.184 10 30 DGEERN C=CCOCCCC(=O)NCc1ccc(F)cc1CSC ZINC000087435571 431854726 /nfs/dbraw/zinc/85/47/26/431854726.db2.gz KQHSPYIBJNMXBT-UHFFFAOYSA-N 0 0 311.422 3.288 10 30 DGEERN Cc1c(Br)cccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000088441076 431857845 /nfs/dbraw/zinc/85/78/45/431857845.db2.gz YFZIREYRSQJWOZ-GWCFXTLKSA-N 0 0 307.191 3.180 10 30 DGEERN CCn1ncc2ccc(NCc3cnc4ccc(C#N)cn34)cc21 ZINC000123448517 431865970 /nfs/dbraw/zinc/86/59/70/431865970.db2.gz QJSXXZVYYXPDHF-UHFFFAOYSA-N 0 0 316.368 3.188 10 30 DGEERN CCC(CC)CN(CCC#N)Cc1cnc2nc(C)cc(C)n12 ZINC000093101013 431913496 /nfs/dbraw/zinc/91/34/96/431913496.db2.gz YXWOLVZMATXAJO-UHFFFAOYSA-N 0 0 313.449 3.498 10 30 DGEERN N#CC1(NC(=O)c2ccnc(OC3CCCCC3)c2)CCCC1 ZINC000093203106 431914237 /nfs/dbraw/zinc/91/42/37/431914237.db2.gz HBEWQGCJCNKFFI-UHFFFAOYSA-N 0 0 313.401 3.359 10 30 DGEERN N#CCSCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000047903073 431916903 /nfs/dbraw/zinc/91/69/03/431916903.db2.gz IJJWDMMYJXOGBM-UHFFFAOYSA-N 0 0 307.375 3.144 10 30 DGEERN Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)no1 ZINC000091050353 431900334 /nfs/dbraw/zinc/90/03/34/431900334.db2.gz JJLFRPWMSMLAAQ-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000046971825 431903514 /nfs/dbraw/zinc/90/35/14/431903514.db2.gz CPBQRGTYJWFTMN-WMLDXEAASA-N 0 0 315.417 3.047 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)NCCCF)cc1 ZINC000091247823 431904233 /nfs/dbraw/zinc/90/42/33/431904233.db2.gz FPSSQTKCHOCHNG-UHFFFAOYSA-N 0 0 311.360 3.384 10 30 DGEERN Cc1nn(-c2ccccc2)c(C)c1[C@H](NCC#N)C(F)(F)F ZINC000091709549 431905046 /nfs/dbraw/zinc/90/50/46/431905046.db2.gz OBFSACJYCBGFGM-AWEZNQCLSA-N 0 0 308.307 3.206 10 30 DGEERN CCc1ccc([C@@H]2CCCCN2CC(=O)N(CC)CCC#N)o1 ZINC000124838452 431905854 /nfs/dbraw/zinc/90/58/54/431905854.db2.gz QFYROJKAZFOPBE-INIZCTEOSA-N 0 0 317.433 3.131 10 30 DGEERN C=CCNC(=S)N/N=C(/C)c1cccc(C(F)(F)F)c1 ZINC000097991742 431976168 /nfs/dbraw/zinc/97/61/68/431976168.db2.gz RUJMNRSHZQIXRU-NVMNQCDNSA-N 0 0 301.337 3.080 10 30 DGEERN Cc1nc2cc(NC(=O)NCc3cccc(C#N)c3)ccc2o1 ZINC000125468694 431926810 /nfs/dbraw/zinc/92/68/10/431926810.db2.gz SXTAHZCHOLVDER-UHFFFAOYSA-N 0 0 306.325 3.330 10 30 DGEERN N#Cc1c(CN2CCO[C@H](c3ccsc3)C2)cn2ccccc12 ZINC000125883031 431937802 /nfs/dbraw/zinc/93/78/02/431937802.db2.gz XDVKBOCMWUIYHJ-SFHVURJKSA-N 0 0 323.421 3.446 10 30 DGEERN Cc1nccn1-c1ccc([C@@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000126546431 431952950 /nfs/dbraw/zinc/95/29/50/431952950.db2.gz WRSZUJNHJDKNNT-GFCCVEGCSA-N 0 0 304.357 3.016 10 30 DGEERN C=CCCOCCNC(=O)NCc1ccc(Cl)cc1Cl ZINC000127097214 431964669 /nfs/dbraw/zinc/96/46/69/431964669.db2.gz LNEGTTVJFYZXJV-UHFFFAOYSA-N 0 0 317.216 3.385 10 30 DGEERN Cc1ccc2c(N)c(C(=O)Nc3ccc(C#N)cc3)sc2n1 ZINC000005588142 281047450 /nfs/dbraw/zinc/04/74/50/281047450.db2.gz VKYCNYVFJQMCEJ-UHFFFAOYSA-N 0 0 308.366 3.311 10 30 DGEERN COc1cccc(N2CC[C@H](CNc3nc(C)ccc3C#N)C2)c1 ZINC000127912893 431983524 /nfs/dbraw/zinc/98/35/24/431983524.db2.gz FEPSGTZRKOTVMA-OAHLLOKOSA-N 0 0 322.412 3.209 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000056337577 431987604 /nfs/dbraw/zinc/98/76/04/431987604.db2.gz LMEZJEDNBVCNCF-INIZCTEOSA-N 0 0 322.364 3.316 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[S@@](C)=O ZINC000191481194 432269641 /nfs/dbraw/zinc/26/96/41/432269641.db2.gz BFTWSKWKNFVBBP-WHEQGISXSA-N 0 0 322.474 3.427 10 30 DGEERN CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](C)c1cccnc1 ZINC000151798544 432276644 /nfs/dbraw/zinc/27/66/44/432276644.db2.gz GKUUPYKQGHJQGT-LLVKDONJSA-N 0 0 315.323 3.455 10 30 DGEERN N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000151803557 432279020 /nfs/dbraw/zinc/27/90/20/432279020.db2.gz NRLYJQPFCCMPSO-CVEARBPZSA-N 0 0 320.348 3.072 10 30 DGEERN CC[C@@H]1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)CCO1 ZINC000248546270 432299470 /nfs/dbraw/zinc/29/94/70/432299470.db2.gz JHQJOKNCPXFFEB-YWPYICTPSA-N 0 0 306.793 3.226 10 30 DGEERN N#Cc1cc(F)ccc1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000102972334 432000892 /nfs/dbraw/zinc/00/08/92/432000892.db2.gz ZCEJEMJYHSBIEE-UHFFFAOYSA-N 0 0 323.302 3.108 10 30 DGEERN CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000174073235 432318673 /nfs/dbraw/zinc/31/86/73/432318673.db2.gz CEKIFSCGWFXFNG-AWEZNQCLSA-N 0 0 319.364 3.250 10 30 DGEERN CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000174073223 432318707 /nfs/dbraw/zinc/31/87/07/432318707.db2.gz CEKIFSCGWFXFNG-CQSZACIVSA-N 0 0 319.364 3.250 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000249049368 432336176 /nfs/dbraw/zinc/33/61/76/432336176.db2.gz IGVLJJHMWYKPLS-MCIONIFRSA-N 0 0 300.402 3.266 10 30 DGEERN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000192186094 432342902 /nfs/dbraw/zinc/34/29/02/432342902.db2.gz QHMVOVSUWNOOON-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000248603770 432304884 /nfs/dbraw/zinc/30/48/84/432304884.db2.gz VSRIYQRIEAZBCJ-RCCFBDPRSA-N 0 0 316.445 3.024 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000248590807 432305396 /nfs/dbraw/zinc/30/53/96/432305396.db2.gz RRYSARMYNBXREU-FHSNZYRGSA-N 0 0 322.364 3.481 10 30 DGEERN CO[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@@H]1C ZINC000191894898 432311831 /nfs/dbraw/zinc/31/18/31/432311831.db2.gz JEOOTPBIUNTGOG-NHYWBVRUSA-N 0 0 323.234 3.178 10 30 DGEERN CC1(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCCC1 ZINC000183654942 432312673 /nfs/dbraw/zinc/31/26/73/432312673.db2.gz BMONRVYGGDDROY-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN CC(C)c1nc(C2(NC(=O)c3cccc(C#N)c3)CCCC2)no1 ZINC000175182544 432407092 /nfs/dbraw/zinc/40/70/92/432407092.db2.gz KLKBFFZRFVBJTH-UHFFFAOYSA-N 0 0 324.384 3.264 10 30 DGEERN COc1ccc(COc2cccc(C(=O)NC3CC3)c2)cc1C#N ZINC000153098870 432383186 /nfs/dbraw/zinc/38/31/86/432383186.db2.gz KRSMYHBNQQULJS-UHFFFAOYSA-N 0 0 322.364 3.038 10 30 DGEERN C=CCCCCCS[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000192548573 432386842 /nfs/dbraw/zinc/38/68/42/432386842.db2.gz PISQNXLQBIFKCN-AWEZNQCLSA-N 0 0 307.463 3.313 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000192656506 432397189 /nfs/dbraw/zinc/39/71/89/432397189.db2.gz HMNWBXKLMDVMCI-ACJLOTCBSA-N 0 0 323.352 3.433 10 30 DGEERN C=CCN(C(=O)c1cccc(C(=O)OC(C)(C)C)c1)C1CC1 ZINC000271462459 432400081 /nfs/dbraw/zinc/40/00/81/432400081.db2.gz GIQIBLJNWGPFED-UHFFFAOYSA-N 0 0 301.386 3.433 10 30 DGEERN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)c2ccccc2)o1 ZINC000193043892 432442198 /nfs/dbraw/zinc/44/21/98/432442198.db2.gz DDVVLGRPJZOEGT-HNNXBMFYSA-N 0 0 311.385 3.186 10 30 DGEERN C=CCN(C)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000153788495 432443205 /nfs/dbraw/zinc/44/32/05/432443205.db2.gz VQNBZNGQZHTXKS-UHFFFAOYSA-N 0 0 315.348 3.340 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000193166255 432456097 /nfs/dbraw/zinc/45/60/97/432456097.db2.gz AECIIYXJISTGAQ-WBVHZDCISA-N 0 0 314.429 3.032 10 30 DGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000193197439 432456171 /nfs/dbraw/zinc/45/61/71/432456171.db2.gz HFRRHPBGAQWHIF-LBPRGKRZSA-N 0 0 322.393 3.457 10 30 DGEERN N#CC1(NC(=O)C/C=C\c2ccc(F)cc2)CCSCC1 ZINC000255621696 432412427 /nfs/dbraw/zinc/41/24/27/432412427.db2.gz PUPXAGHBUMNCRA-UPHRSURJSA-N 0 0 304.390 3.135 10 30 DGEERN Cc1ccc(N(CCCO)Cc2cccc(Cl)c2)nc1C#N ZINC000193482376 432475691 /nfs/dbraw/zinc/47/56/91/432475691.db2.gz ZUAIJIVUOJTSQJ-UHFFFAOYSA-N 0 0 315.804 3.304 10 30 DGEERN C[C@@H]1CCCC[C@H]1N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000175978057 432483768 /nfs/dbraw/zinc/48/37/68/432483768.db2.gz DUIBMUHKTZACKQ-RHSMWYFYSA-N 0 0 315.417 3.157 10 30 DGEERN Cc1csc([C@H]2CN(c3c(F)cc(C#N)cc3F)CCO2)n1 ZINC000171362980 281740900 /nfs/dbraw/zinc/74/09/00/281740900.db2.gz UFDYOMAUQJLXRZ-CYBMUJFWSA-N 0 0 321.352 3.179 10 30 DGEERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000185321414 432491590 /nfs/dbraw/zinc/49/15/90/432491590.db2.gz LNUICEQDWYOKKC-ROUUACIJSA-N 0 0 312.413 3.220 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1 ZINC000185381163 432496457 /nfs/dbraw/zinc/49/64/57/432496457.db2.gz WPVGZRGYWLEFND-OAHLLOKOSA-N 0 0 303.402 3.181 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000185393892 432497616 /nfs/dbraw/zinc/49/76/16/432497616.db2.gz JDEOGWWVFLJAGM-CYBMUJFWSA-N 0 0 323.820 3.444 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000185570946 432511900 /nfs/dbraw/zinc/51/19/00/432511900.db2.gz AYCPBGFHGCBFLB-WMZOPIPTSA-N 0 0 300.446 3.370 10 30 DGEERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCCC1 ZINC000185046915 432461197 /nfs/dbraw/zinc/46/11/97/432461197.db2.gz ATKQPWYYIKKYIJ-AWEZNQCLSA-N 0 0 315.373 3.116 10 30 DGEERN N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccn1 ZINC000193253501 432461748 /nfs/dbraw/zinc/46/17/48/432461748.db2.gz LPCNKVUSONDORA-ZDUSSCGKSA-N 0 0 306.300 3.101 10 30 DGEERN C[C@@H]1SCCN(C(=O)c2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000193298711 432463437 /nfs/dbraw/zinc/46/34/37/432463437.db2.gz GNEOFHYJEVNAHM-SUMWQHHRSA-N 0 0 323.421 3.272 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000175813837 432468346 /nfs/dbraw/zinc/46/83/46/432468346.db2.gz DEVXMEDNWLXNHY-KRWDZBQOSA-N 0 0 307.397 3.134 10 30 DGEERN N#Cc1cn(Cc2nc3ccccc3o2)c2ccccc2c1=O ZINC000176753278 432548982 /nfs/dbraw/zinc/54/89/82/432548982.db2.gz VQSBXMWTKAQTBN-UHFFFAOYSA-N 0 0 301.305 3.063 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](C)COc1ccccc1OC ZINC000185964243 432549782 /nfs/dbraw/zinc/54/97/82/432549782.db2.gz ILUQGJSMHMYGAM-LSDHHAIUSA-N 0 0 305.418 3.429 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000185967171 432550221 /nfs/dbraw/zinc/55/02/21/432550221.db2.gz IAIONFYTOKQURN-MRXNPFEDSA-N 0 0 303.377 3.084 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966069 432550757 /nfs/dbraw/zinc/55/07/57/432550757.db2.gz CPAYYOIYWTZHTR-AFAVFJNCSA-N 0 0 322.399 3.429 10 30 DGEERN Cc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)c(O)c1 ZINC000186002103 432553052 /nfs/dbraw/zinc/55/30/52/432553052.db2.gz VLEFCYJQROUCFV-CYBMUJFWSA-N 0 0 319.368 3.326 10 30 DGEERN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C#N)ccn1 ZINC000436008925 281804490 /nfs/dbraw/zinc/80/44/90/281804490.db2.gz GHVSVYKDFJHUHC-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN N#CC1(C(=O)NCc2nc3ccccc3n2C2CC2)CCCCC1 ZINC000186001645 432553178 /nfs/dbraw/zinc/55/31/78/432553178.db2.gz SBKCKGSCPGTBII-UHFFFAOYSA-N 0 0 322.412 3.461 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000186057621 432555981 /nfs/dbraw/zinc/55/59/81/432555981.db2.gz KAQRTBKUZXATCF-GFCCVEGCSA-N 0 0 314.389 3.343 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000186070451 432556464 /nfs/dbraw/zinc/55/64/64/432556464.db2.gz LQZSISYECJVNJH-VJFUWPCTSA-N 0 0 316.445 3.197 10 30 DGEERN C=CC[C@H](C)NC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000176859020 432559595 /nfs/dbraw/zinc/55/95/95/432559595.db2.gz CGPURKINVNJYAR-WOSRLPQWSA-N 0 0 306.381 3.262 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000272564702 432524202 /nfs/dbraw/zinc/52/42/02/432524202.db2.gz KDMDGSSLQGZCCL-HOCLYGCPSA-N 0 0 315.417 3.128 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000185864949 432539253 /nfs/dbraw/zinc/53/92/53/432539253.db2.gz DOEAMQANTUHYSK-SNVBAGLBSA-N 0 0 317.216 3.486 10 30 DGEERN C[C@H]1COCC[C@@H]1C(=O)Nc1ccccc1SCCC#N ZINC000194317763 432540907 /nfs/dbraw/zinc/54/09/07/432540907.db2.gz AHILEPCUGNZWRZ-STQMWFEESA-N 0 0 304.415 3.303 10 30 DGEERN COc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2nccn2C)cc1 ZINC000185881329 432541186 /nfs/dbraw/zinc/54/11/86/432541186.db2.gz PZSYSSUYHWACTH-LESCRADOSA-N 0 0 324.428 3.190 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C ZINC000185917761 432546338 /nfs/dbraw/zinc/54/63/38/432546338.db2.gz LBPKFHITZRSNHM-LSDHHAIUSA-N 0 0 304.434 3.118 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000185947670 432548331 /nfs/dbraw/zinc/54/83/31/432548331.db2.gz CMQFXNYPNWQCFS-HNNXBMFYSA-N 0 0 319.470 3.453 10 30 DGEERN Cc1ccc2c(CCNC(=O)c3cccc(C#N)c3)cn(C)c2c1 ZINC000186563575 432607069 /nfs/dbraw/zinc/60/70/69/432607069.db2.gz XSTQVOWGNBMHFU-UHFFFAOYSA-N 0 0 317.392 3.331 10 30 DGEERN C=CC[C@@H](C(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000186580732 432610312 /nfs/dbraw/zinc/61/03/12/432610312.db2.gz DYFRRWQXXOSFOK-GDBMZVCRSA-N 0 0 324.428 3.152 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000186592370 432612291 /nfs/dbraw/zinc/61/22/91/432612291.db2.gz CFQFBWKZQDBWBW-GFCCVEGCSA-N 0 0 313.361 3.148 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000195231190 432612818 /nfs/dbraw/zinc/61/28/18/432612818.db2.gz ZFRGLJFHZPRINF-UHFFFAOYSA-N 0 0 322.364 3.209 10 30 DGEERN CCC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1F ZINC000176952091 432568725 /nfs/dbraw/zinc/56/87/25/432568725.db2.gz KDSMOZRCGCLVAS-HNNXBMFYSA-N 0 0 317.339 3.446 10 30 DGEERN C=CCC[C@H](C(=O)N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC000186261999 432574410 /nfs/dbraw/zinc/57/44/10/432574410.db2.gz ZHVGFFYTPNILGH-INIZCTEOSA-N 0 0 316.445 3.110 10 30 DGEERN CCOc1ccccc1[C@H](CC)NC(=O)c1cc(C#N)cn1C ZINC000177062561 432581098 /nfs/dbraw/zinc/58/10/98/432581098.db2.gz QAMGWICGFNDFBK-HNNXBMFYSA-N 0 0 311.385 3.177 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000186343322 432584491 /nfs/dbraw/zinc/58/44/91/432584491.db2.gz DRTBCBZKFSHOFT-SFHVURJKSA-N 0 0 320.392 3.145 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1 ZINC000186342587 432585302 /nfs/dbraw/zinc/58/53/02/432585302.db2.gz DXWJRAWZJREBBP-HPBDAGMYSA-N 0 0 317.429 3.330 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186369937 432587986 /nfs/dbraw/zinc/58/79/86/432587986.db2.gz MZKUAFCKJSKRRR-AWEZNQCLSA-N 0 0 315.335 3.081 10 30 DGEERN CC[C@H](CC#N)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000186432757 432594467 /nfs/dbraw/zinc/59/44/67/432594467.db2.gz GUUFAUNIMSCRNB-SECBINFHSA-N 0 0 321.229 3.272 10 30 DGEERN C=CCCC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000263974539 432598288 /nfs/dbraw/zinc/59/82/88/432598288.db2.gz IRIWZQBVINDSHX-LBPRGKRZSA-N 0 0 310.191 3.355 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000273477896 432601933 /nfs/dbraw/zinc/60/19/33/432601933.db2.gz LILNBFDECHTZHA-MWLCHTKSSA-N 0 0 302.201 3.150 10 30 DGEERN C=CCCC(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000186512164 432603543 /nfs/dbraw/zinc/60/35/43/432603543.db2.gz LKGVDZIPEDPMTO-KKUMJFAQSA-N 0 0 307.434 3.454 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000158010318 432634768 /nfs/dbraw/zinc/63/47/68/432634768.db2.gz GGNQFWLPUCYOJT-CQSZACIVSA-N 0 0 322.364 3.475 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000187014734 432641781 /nfs/dbraw/zinc/64/17/81/432641781.db2.gz OUUQEWKVJLGYPL-UHFFFAOYSA-N 0 0 304.393 3.339 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000187019116 432641905 /nfs/dbraw/zinc/64/19/05/432641905.db2.gz JLPSVWFXBXPBLC-GDBMZVCRSA-N 0 0 303.402 3.236 10 30 DGEERN Cc1ccc([C@@H]2CN(Cc3cc(C#N)ccc3F)CCO2)o1 ZINC000159067133 432669173 /nfs/dbraw/zinc/66/91/73/432669173.db2.gz QKTYCDFGTGKWBD-KRWDZBQOSA-N 0 0 300.333 3.172 10 30 DGEERN COc1ccccc1CN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187160842 432649823 /nfs/dbraw/zinc/64/98/23/432649823.db2.gz LQEPHTJTVIISLX-UHFFFAOYSA-N 0 0 320.392 3.257 10 30 DGEERN CCc1nc(C2(NCc3cc(C#N)cs3)CCCC2)no1 ZINC000177693643 432650690 /nfs/dbraw/zinc/65/06/90/432650690.db2.gz OENHIHGKIHZPQB-UHFFFAOYSA-N 0 0 302.403 3.124 10 30 DGEERN Cc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000187263277 432653574 /nfs/dbraw/zinc/65/35/74/432653574.db2.gz RYPXUCANYGRNLB-HXUWFJFHSA-N 0 0 320.440 3.081 10 30 DGEERN N#CCc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000187258912 432654066 /nfs/dbraw/zinc/65/40/66/432654066.db2.gz KEIYXHGKNHHZBU-UHFFFAOYSA-N 0 0 301.349 3.295 10 30 DGEERN Cc1cccc(OCCNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187245197 432654202 /nfs/dbraw/zinc/65/42/02/432654202.db2.gz KZMLYZTXAMFMLL-UHFFFAOYSA-N 0 0 320.392 3.094 10 30 DGEERN N#Cc1ccc([C@@H](O)CN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000177730824 432655360 /nfs/dbraw/zinc/65/53/60/432655360.db2.gz JZCBDWKDCRENLE-FQEVSTJZSA-N 0 0 317.392 3.131 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000187276327 432655467 /nfs/dbraw/zinc/65/54/67/432655467.db2.gz PSAAXYADVJJRBC-UHFFFAOYSA-N 0 0 308.356 3.088 10 30 DGEERN Cc1ccc([C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)o1 ZINC000158714251 432655648 /nfs/dbraw/zinc/65/56/48/432655648.db2.gz INRVOUFCECHGHL-KRWDZBQOSA-N 0 0 300.333 3.172 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)Nc2ccccc2OC)no1 ZINC000274359020 432657779 /nfs/dbraw/zinc/65/77/79/432657779.db2.gz VONITPJYTVUFRX-LBPRGKRZSA-N 0 0 315.373 3.329 10 30 DGEERN N#Cc1ccccc1-c1ccccc1C(=O)NCC1(CCO)CC1 ZINC000188005718 432699358 /nfs/dbraw/zinc/69/93/58/432699358.db2.gz BOXNHUMCTKKLDK-UHFFFAOYSA-N 0 0 320.392 3.118 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CN(CC)CCO1 ZINC000188073309 432701863 /nfs/dbraw/zinc/70/18/63/432701863.db2.gz XNJPAAAFUFBGBP-KRWDZBQOSA-N 0 0 316.445 3.198 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000188146274 432707048 /nfs/dbraw/zinc/70/70/48/432707048.db2.gz UTRBELKLCJQGQV-WBVHZDCISA-N 0 0 302.418 3.034 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000265565652 432710561 /nfs/dbraw/zinc/71/05/61/432710561.db2.gz ZRUGTPIORIXHAI-INIZCTEOSA-N 0 0 317.429 3.400 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160304564 432712908 /nfs/dbraw/zinc/71/29/08/432712908.db2.gz JNIQAEZWGQUBNC-UHFFFAOYSA-N 0 0 321.380 3.366 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000187815128 432686627 /nfs/dbraw/zinc/68/66/27/432686627.db2.gz WZGJPBIPERDMIP-IBGZPJMESA-N 0 0 316.445 3.092 10 30 DGEERN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000178555642 432751622 /nfs/dbraw/zinc/75/16/22/432751622.db2.gz WHXSQZMCFWELLI-ZDUSSCGKSA-N 0 0 324.380 3.375 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCc1ccccc1OC1CCC1 ZINC000188903554 432752093 /nfs/dbraw/zinc/75/20/93/432752093.db2.gz CSLVQVNDWPPTON-LJQANCHMSA-N 0 0 317.429 3.463 10 30 DGEERN C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000178562575 432752905 /nfs/dbraw/zinc/75/29/05/432752905.db2.gz LDZMDHKFIZCQQH-AWEZNQCLSA-N 0 0 313.372 3.181 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178582519 432755780 /nfs/dbraw/zinc/75/57/80/432755780.db2.gz PPPDTSKPURFXRD-YJBOKZPZSA-N 0 0 313.401 3.026 10 30 DGEERN CC1(C)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC(C)(C)O1 ZINC000188996433 432757715 /nfs/dbraw/zinc/75/77/15/432757715.db2.gz MUIVWKHLHWGQCP-UHFFFAOYSA-N 0 0 312.413 3.271 10 30 DGEERN COc1ccc2[nH]c(C(=O)N(C)c3cccc(C#N)c3)cc2c1 ZINC000189184248 432767852 /nfs/dbraw/zinc/76/78/52/432767852.db2.gz RSFFKHZCSFTFDB-UHFFFAOYSA-N 0 0 305.337 3.325 10 30 DGEERN CCCCc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000189247810 432772509 /nfs/dbraw/zinc/77/25/09/432772509.db2.gz VDGZKVNYRSYHFT-UHFFFAOYSA-N 0 0 308.385 3.294 10 30 DGEERN Cc1ccc(C#N)c(N2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000161458027 432779414 /nfs/dbraw/zinc/77/94/14/432779414.db2.gz MGWNFUVDXBLGDE-UHFFFAOYSA-N 0 0 311.360 3.449 10 30 DGEERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000230339027 432727941 /nfs/dbraw/zinc/72/79/41/432727941.db2.gz LEIVXBJXDPIQCJ-UHFFFAOYSA-N 0 0 306.412 3.143 10 30 DGEERN C=CC[C@H](C(=O)N[C@@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000188508585 432729002 /nfs/dbraw/zinc/72/90/02/432729002.db2.gz OEBVKWXIFPFKMV-JKSUJKDBSA-N 0 0 324.428 3.152 10 30 DGEERN CC[C@@H](C#N)C(=O)c1cccc(C)c1I ZINC000233836256 432738641 /nfs/dbraw/zinc/73/86/41/432738641.db2.gz LGISNHJIXYAUGT-VIFPVBQESA-N 0 0 313.138 3.332 10 30 DGEERN C[C@H](Cc1ccc(O)cc1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188775717 432746023 /nfs/dbraw/zinc/74/60/23/432746023.db2.gz QKTWWGUPCNOXLT-CQSZACIVSA-N 0 0 320.392 3.043 10 30 DGEERN N#Cc1nc(NCCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000236057293 432746284 /nfs/dbraw/zinc/74/62/84/432746284.db2.gz FBXNHAUAOAVXDQ-UHFFFAOYSA-N 0 0 308.750 3.231 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000162954087 432839067 /nfs/dbraw/zinc/83/90/67/432839067.db2.gz VYWYMXPURXHCLO-BEFAXECRSA-N 0 0 320.392 3.469 10 30 DGEERN CCN(CC)C(=O)[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000178923931 432787816 /nfs/dbraw/zinc/78/78/16/432787816.db2.gz LMNJYRZNGHUWTF-KRWDZBQOSA-N 0 0 318.848 3.024 10 30 DGEERN CC(C)[C@H](SCc1ccccc1)C(=O)N[C@H](C#N)C1CC1 ZINC000161769807 432797057 /nfs/dbraw/zinc/79/70/57/432797057.db2.gz YEOFXPZWPKYQPJ-CVEARBPZSA-N 0 0 302.443 3.363 10 30 DGEERN Cc1ccc(C#N)c(N[C@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000161853637 432801258 /nfs/dbraw/zinc/80/12/58/432801258.db2.gz LFZKPSVTBPMSDC-CYBMUJFWSA-N 0 0 304.357 3.016 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CCO)COC ZINC000276363806 432801304 /nfs/dbraw/zinc/80/13/04/432801304.db2.gz BCNDKIVMYHIHOT-HNNXBMFYSA-N 0 0 320.433 3.057 10 30 DGEERN N#Cc1ccc(N(CCC(F)(F)F)Cc2ccccc2)nn1 ZINC000189658814 432807697 /nfs/dbraw/zinc/80/76/97/432807697.db2.gz HURQACPYZXUMLB-UHFFFAOYSA-N 0 0 306.291 3.307 10 30 DGEERN C=CCCN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000276445534 432808989 /nfs/dbraw/zinc/80/89/89/432808989.db2.gz OYFFFBDIKIXKES-UHFFFAOYSA-N 0 0 324.808 3.100 10 30 DGEERN O=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329964501 432885110 /nfs/dbraw/zinc/88/51/10/432885110.db2.gz QORJBWHOVGSTIU-XDNAFOTISA-N 0 0 314.429 3.005 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000288089241 432885701 /nfs/dbraw/zinc/88/57/01/432885701.db2.gz RAMDZNPITIDSAR-GUYCJALGSA-N 0 0 317.816 3.195 10 30 DGEERN CC(C)(O)CN(C(=O)NCc1ccc(C2CC2)cc1)C1CC1 ZINC000330044731 432890020 /nfs/dbraw/zinc/89/00/20/432890020.db2.gz HUDGKWDOLJDGOC-UHFFFAOYSA-N 0 0 302.418 3.213 10 30 DGEERN CC(C)c1cnc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 ZINC000330114148 432893085 /nfs/dbraw/zinc/89/30/85/432893085.db2.gz DOEFNBYRDAFPCT-ZWNOBZJWSA-N 0 0 320.418 3.366 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1scnc1C1CC1 ZINC000330148957 432894981 /nfs/dbraw/zinc/89/49/81/432894981.db2.gz UXYRZGTYMRTFTK-ZWNOBZJWSA-N 0 0 318.402 3.120 10 30 DGEERN CN(C(=O)NCCC12CC3CC(CC(C3)C1)C2)[C@H]1CCNC1=O ZINC000328882303 288773001 /nfs/dbraw/zinc/77/30/01/288773001.db2.gz LSWFHXKJOWLJHG-URZJAHPPSA-N 0 0 319.449 3.168 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000296853940 432932114 /nfs/dbraw/zinc/93/21/14/432932114.db2.gz LPFOSPQPFHRLFF-GOSISDBHSA-N 0 0 319.408 3.356 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)Cc2ccc(OC)c(C)c2)cc1 ZINC000297007763 432948728 /nfs/dbraw/zinc/94/87/28/432948728.db2.gz VJQYOKBXGHRXDW-UHFFFAOYSA-N 0 0 322.408 3.327 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCC(C)(C)O2)cs1 ZINC000330194391 432897939 /nfs/dbraw/zinc/89/79/39/432897939.db2.gz ORNXTTNZQQZELT-OCCSQVGLSA-N 0 0 323.462 3.460 10 30 DGEERN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)N[C@@H]2CCO[C@@H]2C)c1 ZINC000330260349 432900974 /nfs/dbraw/zinc/90/09/74/432900974.db2.gz OFXLDCFTLPZFIZ-KFZJALRRSA-N 0 0 318.417 3.170 10 30 DGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000330286525 432902325 /nfs/dbraw/zinc/90/23/25/432902325.db2.gz ZYHREOUJNKARTB-BMFZPTHFSA-N 0 0 321.465 3.002 10 30 DGEERN C=CCC[C@H](NC(=O)N1CCC[C@H](O)[C@@H]1C)c1ccccc1 ZINC000296532981 432919789 /nfs/dbraw/zinc/91/97/89/432919789.db2.gz PSAKBHYPODZBTQ-XIRDDKMYSA-N 0 0 302.418 3.249 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000279480463 432973058 /nfs/dbraw/zinc/97/30/58/432973058.db2.gz GVZDXYZBHBFOMF-HNNXBMFYSA-N 0 0 308.809 3.389 10 30 DGEERN C=CCOCCCC(=O)NCc1cc(F)c(Cl)cc1F ZINC000279602279 432989767 /nfs/dbraw/zinc/98/97/67/432989767.db2.gz VYQAUFLYMIGCRS-UHFFFAOYSA-N 0 0 303.736 3.217 10 30 DGEERN C=CCCCNC(=O)Cc1cc(Br)ccc1OC ZINC000280060586 433001098 /nfs/dbraw/zinc/00/10/98/433001098.db2.gz GXKUEPVUFVNNSG-UHFFFAOYSA-N 0 0 312.207 3.083 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CC)[C@H](C)c2cccnc2)cc1 ZINC000297067953 432954556 /nfs/dbraw/zinc/95/45/56/432954556.db2.gz YUJUIBUFUFITES-OAHLLOKOSA-N 0 0 307.397 3.356 10 30 DGEERN C#CCOc1ccc(CNC(=O)CCCC[C@H](C)C(C)=O)cc1 ZINC000297107720 432959242 /nfs/dbraw/zinc/95/92/42/432959242.db2.gz SCJOXAQBEXBUPP-HNNXBMFYSA-N 0 0 315.413 3.100 10 30 DGEERN CCC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000155352185 292705149 /nfs/dbraw/zinc/70/51/49/292705149.db2.gz YAMLYZAYPJMCAA-LSDHHAIUSA-N 0 0 300.402 3.364 10 30 DGEERN N#Cc1csc(CNCc2ccn(Cc3ccccc3)n2)c1 ZINC000341269566 433011260 /nfs/dbraw/zinc/01/12/60/433011260.db2.gz LQODJIIGXUSUEP-UHFFFAOYSA-N 0 0 308.410 3.154 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000341328476 433029603 /nfs/dbraw/zinc/02/96/03/433029603.db2.gz FSSTYNSUBOFIAV-BBRMVZONSA-N 0 0 300.402 3.203 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000341414733 433052645 /nfs/dbraw/zinc/05/26/45/433052645.db2.gz AJMPXYYOVFTUQM-NSHDSACASA-N 0 0 314.307 3.061 10 30 DGEERN C=CCn1c(N(CC)CCc2nccs2)nnc1C(C)(C)C ZINC000290510672 433077433 /nfs/dbraw/zinc/07/74/33/433077433.db2.gz WDUMCWQNCFEIKX-UHFFFAOYSA-N 0 0 319.478 3.287 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)[C@@]3(C)CCC(=O)NC3)cc2o1 ZINC000328651760 289433539 /nfs/dbraw/zinc/43/35/39/289433539.db2.gz JTOBYNSOEQFPAK-INIZCTEOSA-N 0 0 316.361 3.238 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000425265390 433140560 /nfs/dbraw/zinc/14/05/60/433140560.db2.gz VFKVHOLMPBVLFL-KWQFWETISA-N 0 0 317.267 3.012 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)CC(C)(C)OC)c1ccccc1 ZINC000290748555 433156069 /nfs/dbraw/zinc/15/60/69/433156069.db2.gz MNNIIVDWMWPLHH-HNNXBMFYSA-N 0 0 311.447 3.038 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H]1CCC[C@H](CO)C1)c1ccccc1 ZINC000298526572 433165737 /nfs/dbraw/zinc/16/57/37/433165737.db2.gz WWYUQGFJQZKQLB-SZMVWBNQSA-N 0 0 301.430 3.404 10 30 DGEERN C=CCN(CC1CCCCC1)c1nnc([C@@]2(C)CCCO2)n1C ZINC000453423935 433175623 /nfs/dbraw/zinc/17/56/23/433175623.db2.gz JZHJPMWOOUVDOE-GOSISDBHSA-N 0 0 318.465 3.413 10 30 DGEERN C=CCN(CC1CCCCC1)c1nnc([C@]2(C)CCCO2)n1C ZINC000453423936 433176952 /nfs/dbraw/zinc/17/69/52/433176952.db2.gz JZHJPMWOOUVDOE-SFHVURJKSA-N 0 0 318.465 3.413 10 30 DGEERN C=CCn1c(N(CCC)CC2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453431599 433179546 /nfs/dbraw/zinc/17/95/46/433179546.db2.gz ACBBOVANVQTISC-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N2CCCC2(C)C)nnc1[C@@]1(C)CCCO1 ZINC000453463679 433196895 /nfs/dbraw/zinc/19/68/95/433196895.db2.gz JDJXJOMJLIPLED-QGZVFWFLSA-N 0 0 304.438 3.259 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@]2(C)CCCO2)n1CC(C)C ZINC000453483132 433203989 /nfs/dbraw/zinc/20/39/89/433203989.db2.gz SOEDTSGDNPIGMJ-KRWDZBQOSA-N 0 0 306.454 3.362 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc(C)nc(N2CCCC2)c1 ZINC000290978868 433215256 /nfs/dbraw/zinc/21/52/56/433215256.db2.gz VGVAHZIJSBLJMA-UHFFFAOYSA-N 0 0 316.449 3.098 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000374540892 433217974 /nfs/dbraw/zinc/21/79/74/433217974.db2.gz ICJCMVHNVSPNSJ-ZDUSSCGKSA-N 0 0 307.821 3.322 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000337772147 433257900 /nfs/dbraw/zinc/25/79/00/433257900.db2.gz DYSBXCNQARYNSP-CRAIPNDOSA-N 0 0 318.465 3.375 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000281131930 433267052 /nfs/dbraw/zinc/26/70/52/433267052.db2.gz YUMYREDFQOXNEZ-STQMWFEESA-N 0 0 306.406 3.419 10 30 DGEERN C=CCOCCCC(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447724909 433268009 /nfs/dbraw/zinc/26/80/09/433268009.db2.gz ZDRKRRQOAGERHB-CQSZACIVSA-N 0 0 319.298 3.370 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281384099 433295011 /nfs/dbraw/zinc/29/50/11/433295011.db2.gz TZLFIHOPPZCCOA-ZETCQYMHSA-N 0 0 307.152 3.191 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000425564279 433301292 /nfs/dbraw/zinc/30/12/92/433301292.db2.gz USWWTHXGSBXBBO-BZSNNMDCSA-N 0 0 314.429 3.064 10 30 DGEERN C=CCC1(C(=O)Nc2ccccc2CCOC)CCOCC1 ZINC000425561235 433301782 /nfs/dbraw/zinc/30/17/82/433301782.db2.gz PBJCWKHRZPIQBN-UHFFFAOYSA-N 0 0 303.402 3.187 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000425561850 433302603 /nfs/dbraw/zinc/30/26/03/433302603.db2.gz DBQWOVYKQFINRA-DKIMLUQUSA-N 0 0 314.429 3.370 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000420907103 433302797 /nfs/dbraw/zinc/30/27/97/433302797.db2.gz SWRQBUQYJLVSAI-UONOGXRCSA-N 0 0 308.447 3.403 10 30 DGEERN C=CCn1cc(CNC(=O)N[C@@H](CCC)C2CCCCC2)nn1 ZINC000425561451 433303145 /nfs/dbraw/zinc/30/31/45/433303145.db2.gz BKWWCSNPGDQMJC-INIZCTEOSA-N 0 0 319.453 3.012 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C)(CC(C)C)CC1 ZINC000425567463 433304919 /nfs/dbraw/zinc/30/49/19/433304919.db2.gz SQEXEXBVPAUCDO-HOTGVXAUSA-N 0 0 308.466 3.435 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)Cc1ccccc1C ZINC000425568741 433305401 /nfs/dbraw/zinc/30/54/01/433305401.db2.gz XASXEUPNWFAVCU-NJAFHUGGSA-N 0 0 316.445 3.159 10 30 DGEERN C=CCOc1ccc(CN([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000361644427 433309978 /nfs/dbraw/zinc/30/99/78/433309978.db2.gz ADDFFTYUHXVRGM-CQSZACIVSA-N 0 0 303.402 3.167 10 30 DGEERN C=CCCCNC(=O)N(C)Cc1ccc(Br)o1 ZINC000448029692 433352320 /nfs/dbraw/zinc/35/23/20/433352320.db2.gz IJJPFMRXHGRENH-UHFFFAOYSA-N 0 0 301.184 3.150 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccccc1Cl ZINC000299258606 433359146 /nfs/dbraw/zinc/35/91/46/433359146.db2.gz COUBMOYGACJFID-UHFFFAOYSA-N 0 0 307.699 3.296 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000425874712 433366897 /nfs/dbraw/zinc/36/68/97/433366897.db2.gz LOUNFVSJYALEBG-FZKCQIBNSA-N 0 0 308.466 3.434 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000447938760 433330847 /nfs/dbraw/zinc/33/08/47/433330847.db2.gz HQBQYHFBYBKIRY-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1OC ZINC000413993381 433340194 /nfs/dbraw/zinc/34/01/94/433340194.db2.gz ZIENSYZMEPTRDC-KURKYZTESA-N 0 0 301.430 3.495 10 30 DGEERN C(#Cc1ccccc1)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000361860881 433426687 /nfs/dbraw/zinc/42/66/87/433426687.db2.gz RHFPWVLOOJHDAU-UHFFFAOYSA-N 0 0 313.404 3.282 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2cccc(Cl)c2Cl)c1 ZINC000448398833 433402768 /nfs/dbraw/zinc/40/27/68/433402768.db2.gz WJLXJWGCDXWRBA-UHFFFAOYSA-N 0 0 306.152 3.441 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000448371747 433403463 /nfs/dbraw/zinc/40/34/63/433403463.db2.gz BMFZUJUVVXDHFO-UHFFFAOYSA-N 0 0 323.396 3.078 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000448376868 433403746 /nfs/dbraw/zinc/40/37/46/433403746.db2.gz SHHFNNBSERXJKB-UHFFFAOYSA-N 0 0 301.173 3.014 10 30 DGEERN C=CC(C)(C)CNC(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000454386998 433404560 /nfs/dbraw/zinc/40/45/60/433404560.db2.gz XKXWOFHXQCTGBB-UHFFFAOYSA-N 0 0 320.433 3.148 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000448580739 433438233 /nfs/dbraw/zinc/43/82/33/433438233.db2.gz ZFYOGILOTGYPSA-LJQANCHMSA-N 0 0 321.420 3.468 10 30 DGEERN N#Cc1cc(Cl)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000301182284 433445462 /nfs/dbraw/zinc/44/54/62/433445462.db2.gz ICINOJFJMAERMP-UHFFFAOYSA-N 0 0 317.820 3.050 10 30 DGEERN C[C@H](Nc1cccc(F)c1C#N)C(=O)N1CCc2ccccc21 ZINC000301188713 433447342 /nfs/dbraw/zinc/44/73/42/433447342.db2.gz QQGLZIOLHXUHFT-LBPRGKRZSA-N 0 0 309.344 3.087 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000292073278 433453751 /nfs/dbraw/zinc/45/37/51/433453751.db2.gz QCJRPPRBBMPBBI-SNVBAGLBSA-N 0 0 305.852 3.274 10 30 DGEERN C[S@@](=O)Cc1cc(Nc2ccc(C#N)cn2)ccc1Cl ZINC000301251177 433472881 /nfs/dbraw/zinc/47/28/81/433472881.db2.gz CEEFGUHPIGOEDM-HXUWFJFHSA-N 0 0 305.790 3.229 10 30 DGEERN CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448664863 433480895 /nfs/dbraw/zinc/48/08/95/433480895.db2.gz OGISPLLJZACMLB-ZDUSSCGKSA-N 0 0 311.385 3.175 10 30 DGEERN Cc1nnc(N2CCC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000301279151 433484501 /nfs/dbraw/zinc/48/45/01/433484501.db2.gz JTJPEIDWDDRJKO-MRXNPFEDSA-N 0 0 322.412 3.261 10 30 DGEERN C=CC[C@H]1N(C(=O)c2nnn(C(C)C)c2C)CCCC1(C)C ZINC000292241463 433518794 /nfs/dbraw/zinc/51/87/94/433518794.db2.gz DPSGKWUFXBHNDV-CQSZACIVSA-N 0 0 304.438 3.374 10 30 DGEERN C=C(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000454730583 433524833 /nfs/dbraw/zinc/52/48/33/433524833.db2.gz IJOTVDSTZMSPEY-HZPDHXFCSA-N 0 0 321.852 3.351 10 30 DGEERN COc1cccc([C@@H](O)CNc2cc(C#N)nc3ccccc32)c1 ZINC000301396713 433533670 /nfs/dbraw/zinc/53/36/70/433533670.db2.gz NCGGPBCIBIECNS-IBGZPJMESA-N 0 0 319.364 3.261 10 30 DGEERN CCN(C(=O)c1ccc(C#N)n1C)[C@@H](C)c1cccc(OC)c1 ZINC000448695037 433497500 /nfs/dbraw/zinc/49/75/00/433497500.db2.gz SRKUTGLJKUDJDT-ZDUSSCGKSA-N 0 0 311.385 3.129 10 30 DGEERN C=C[C@H](Cc1nc(COC[C@@H]2CCOC2)no1)c1ccccc1 ZINC000351397628 433501390 /nfs/dbraw/zinc/50/13/90/433501390.db2.gz FCXAEQMLODFBFI-HUUCEWRRSA-N 0 0 314.385 3.135 10 30 DGEERN CC#CCCNC(=O)Nc1cccc2cc(C(=O)OC)sc21 ZINC000455710835 433549692 /nfs/dbraw/zinc/54/96/92/433549692.db2.gz JLNOKQKXJWOQBV-UHFFFAOYSA-N 0 0 316.382 3.223 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282304973 433559783 /nfs/dbraw/zinc/55/97/83/433559783.db2.gz MKIFVINBQSUISB-MRXNPFEDSA-N 0 0 313.445 3.119 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448811202 433562149 /nfs/dbraw/zinc/56/21/49/433562149.db2.gz KPUSBVXBNNVZAJ-UHFFFAOYSA-N 0 0 321.424 3.163 10 30 DGEERN C=CCOc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000426702417 433563387 /nfs/dbraw/zinc/56/33/87/433563387.db2.gz BBAMHHVRHUGRJB-SFHVURJKSA-N 0 0 311.381 3.475 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1sc(COCC)nc1C ZINC000448819600 433566233 /nfs/dbraw/zinc/56/62/33/433566233.db2.gz CCUAYJQGONPYPX-UHFFFAOYSA-N 0 0 322.352 3.179 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@](C)(C#N)CC(C)C)cc1 ZINC000448849863 433577641 /nfs/dbraw/zinc/57/76/41/433577641.db2.gz YJZZBCWZMFUOKR-GOSISDBHSA-N 0 0 300.402 3.238 10 30 DGEERN Cc1ccc([C@](C)(O)CNc2c(C#N)cnc3ccccc32)o1 ZINC000301408654 433542055 /nfs/dbraw/zinc/54/20/55/433542055.db2.gz IOJXPIATHFRIST-GOSISDBHSA-N 0 0 307.353 3.328 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000455428572 433542269 /nfs/dbraw/zinc/54/22/69/433542269.db2.gz SHATYJINZQZRTG-LOWDOPEQSA-N 0 0 320.355 3.092 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N(CC)CCc1nccs1 ZINC000293170326 433642159 /nfs/dbraw/zinc/64/21/59/433642159.db2.gz XPYNMERLGJHHBU-UHFFFAOYSA-N 0 0 317.462 3.257 10 30 DGEERN CO[C@@H](C)c1nc(CN(C)c2ccc(C#N)cc2F)cs1 ZINC000301528003 433594953 /nfs/dbraw/zinc/59/49/53/433594953.db2.gz GPJCCORSANHXTE-JTQLQIEISA-N 0 0 305.378 3.498 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000448889276 433596224 /nfs/dbraw/zinc/59/62/24/433596224.db2.gz YDVRUVIHWYJWBV-INIZCTEOSA-N 0 0 307.397 3.307 10 30 DGEERN Cc1cccc(C)c1CCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000165007906 292878187 /nfs/dbraw/zinc/87/81/87/292878187.db2.gz GWBIHZFIFNYNNR-MRXNPFEDSA-N 0 0 322.408 3.301 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000292849310 433601228 /nfs/dbraw/zinc/60/12/28/433601228.db2.gz QIIWOUWODYELCW-CVEARBPZSA-N 0 0 322.399 3.429 10 30 DGEERN C#CCCCCC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000375941120 433621452 /nfs/dbraw/zinc/62/14/52/433621452.db2.gz LPZMYBOXZDITMS-UHFFFAOYSA-N 0 0 302.393 3.058 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000375947268 433624523 /nfs/dbraw/zinc/62/45/23/433624523.db2.gz UIAXLAUVDRKXMD-GFCCVEGCSA-N 0 0 317.385 3.350 10 30 DGEERN CCc1nnc(NCc2ccc(OC)c(C)c2)c(C#N)c1CC ZINC000301640942 433653163 /nfs/dbraw/zinc/65/31/63/433653163.db2.gz YUCSONPGHQDBBZ-UHFFFAOYSA-N 0 0 310.401 3.402 10 30 DGEERN C=CCn1c(N2CC(C)(C)C[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000414527549 433692638 /nfs/dbraw/zinc/69/26/38/433692638.db2.gz MRDFDBOEDZIKKS-SUMWQHHRSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1cnc(CCC)o1 ZINC000456497612 433693031 /nfs/dbraw/zinc/69/30/31/433693031.db2.gz GXHHEQWHYRZKIG-UHFFFAOYSA-N 0 0 300.358 3.122 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CC(C)(C)C[C@@H]1C ZINC000414518435 433684581 /nfs/dbraw/zinc/68/45/81/433684581.db2.gz SCYBTEWUXXZTQL-AWEZNQCLSA-N 0 0 311.433 3.075 10 30 DGEERN C=CCC1(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CCCC1 ZINC000456486224 433690801 /nfs/dbraw/zinc/69/08/01/433690801.db2.gz MWHWHHKHLLDIRI-UHFFFAOYSA-N 0 0 317.433 3.074 10 30 DGEERN Cc1cc(NCCCn2cnc3ccccc32)c(C#N)c(C)n1 ZINC000301755678 433707523 /nfs/dbraw/zinc/70/75/23/433707523.db2.gz DDWKMOMUOYGTBH-UHFFFAOYSA-N 0 0 305.385 3.422 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414547297 433708186 /nfs/dbraw/zinc/70/81/86/433708186.db2.gz ZEMUPMMUZWKJMV-STQMWFEESA-N 0 0 316.430 3.117 10 30 DGEERN Cc1nc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(=O)[nH]c1C ZINC000328926193 293348113 /nfs/dbraw/zinc/34/81/13/293348113.db2.gz OQFAKNGYNOZYOD-SSDOTTSWSA-N 0 0 318.402 3.017 10 30 DGEERN COCCOc1cccc(CNc2cc(C)nc(C)c2C#N)c1 ZINC000301781700 433720730 /nfs/dbraw/zinc/72/07/30/433720730.db2.gz NJBHBKYZRHPPLE-UHFFFAOYSA-N 0 0 311.385 3.207 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362491780 433733342 /nfs/dbraw/zinc/73/33/42/433733342.db2.gz FSTSPKFHVONSPC-RYUDHWBXSA-N 0 0 304.415 3.455 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000293426313 433738124 /nfs/dbraw/zinc/73/81/24/433738124.db2.gz OAEOWOBKWMZDHU-CQSZACIVSA-N 0 0 305.397 3.012 10 30 DGEERN C=CCC(F)(F)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000293438747 433741615 /nfs/dbraw/zinc/74/16/15/433741615.db2.gz WMYNFWDKEJJUGD-SMDDNHRTSA-N 0 0 313.319 3.326 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000283649714 433756926 /nfs/dbraw/zinc/75/69/26/433756926.db2.gz WUPITLQBZGVFGP-OAHLLOKOSA-N 0 0 316.449 3.075 10 30 DGEERN C=CCC[C@@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)OCC ZINC000456631525 433757574 /nfs/dbraw/zinc/75/75/74/433757574.db2.gz SJJWVIIOSMMUQY-DZFYGRHCSA-N 0 0 319.376 3.243 10 30 DGEERN C=CCCC(=O)Nc1cccc2c1OCCN2C(=O)CCC=C ZINC000283802838 433779930 /nfs/dbraw/zinc/77/99/30/433779930.db2.gz ACIKFZMZSKNUSE-UHFFFAOYSA-N 0 0 314.385 3.283 10 30 DGEERN CC#CC(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283825611 433784075 /nfs/dbraw/zinc/78/40/75/433784075.db2.gz UFKUYWPQTUZHHZ-RDJZCZTQSA-N 0 0 322.811 3.142 10 30 DGEERN COCC[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 ZINC000301919031 433796151 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C=C[C@@H]1CCCCN1C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434083353 433856794 /nfs/dbraw/zinc/85/67/94/433856794.db2.gz PINQLBYSURQOQM-GFCCVEGCSA-N 0 0 315.348 4.053 10 30 DGEERN C=C(C)CS(=O)(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000435440198 433871052 /nfs/dbraw/zinc/87/10/52/433871052.db2.gz UNQNOSITAOEZDA-HNNXBMFYSA-N 0 0 308.447 3.077 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccnc1OC(C)C ZINC000284628374 433901603 /nfs/dbraw/zinc/90/16/03/433901603.db2.gz KNIZOBAZUZSDLO-UHFFFAOYSA-N 0 0 302.296 3.059 10 30 DGEERN C=CCCCCCCNC(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC000293862580 433902707 /nfs/dbraw/zinc/90/27/07/433902707.db2.gz ZCNOVTCDVPCUIV-UHFFFAOYSA-N 0 0 315.417 3.150 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000422230890 433903150 /nfs/dbraw/zinc/90/31/50/433903150.db2.gz CXTJFMHDKTVRIX-IRXDYDNUSA-N 0 0 302.418 3.342 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000450000076 433919861 /nfs/dbraw/zinc/91/98/61/433919861.db2.gz RGTCLSGVZSSZSA-XZDPQHSOSA-N 0 0 303.402 3.479 10 30 DGEERN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(C#N)o3)C2)c1 ZINC000456919881 433892184 /nfs/dbraw/zinc/89/21/84/433892184.db2.gz IIVMUFBNPQSAQL-HDJSIYSDSA-N 0 0 310.353 3.178 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@](C)(O)CCC(C)C)cc1 ZINC000449960951 433892360 /nfs/dbraw/zinc/89/23/60/433892360.db2.gz SFIVCYMIRKHQTQ-LJQANCHMSA-N 0 0 319.445 3.097 10 30 DGEERN C=CC[C@@H]1N(C(=O)CO[C@H](C)c2nccn2C)CCCC1(C)C ZINC000357347426 433966327 /nfs/dbraw/zinc/96/63/27/433966327.db2.gz ODZAONQBTGNAOJ-CABCVRRESA-N 0 0 319.449 3.091 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000285946316 434115645 /nfs/dbraw/zinc/11/56/45/434115645.db2.gz KSDXTSRUBODKFW-NSHDSACASA-N 0 0 303.387 3.125 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416728985 434179733 /nfs/dbraw/zinc/17/97/33/434179733.db2.gz YRHWUWDFCMAWQC-HZPDHXFCSA-N 0 0 317.433 3.298 10 30 DGEERN CC1(C)CC[C@H](CNc2ncc(Br)cc2C#N)O1 ZINC000450451945 434192554 /nfs/dbraw/zinc/19/25/54/434192554.db2.gz 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DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(SC)cc1 ZINC000437635893 434308729 /nfs/dbraw/zinc/30/87/29/434308729.db2.gz QSWBCNJGNOXNPL-ZBFHGGJFSA-N 0 0 320.458 3.189 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccnc1 ZINC000287284390 434325146 /nfs/dbraw/zinc/32/51/46/434325146.db2.gz VRXHAUMLWHGDSI-CRAIPNDOSA-N 0 0 307.397 3.076 10 30 DGEERN C#CCCCS(=O)(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000366230715 434366887 /nfs/dbraw/zinc/36/68/87/434366887.db2.gz SGDHTKAHZNAAQW-NSHDSACASA-N 0 0 317.863 3.112 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000438055789 434391644 /nfs/dbraw/zinc/39/16/44/434391644.db2.gz PJOGZPIJHPKZGG-QZTJIDSGSA-N 0 0 316.445 3.426 10 30 DGEERN C=CCOc1ccc(C(=O)NCCCC(C)(F)F)cc1OC ZINC000295470037 434376725 /nfs/dbraw/zinc/37/67/25/434376725.db2.gz HVVGLYQIUYMHLA-UHFFFAOYSA-N 0 0 313.344 3.425 10 30 DGEERN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC(C)(C)C1 ZINC000329231295 434378501 /nfs/dbraw/zinc/37/85/01/434378501.db2.gz 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434400269 /nfs/dbraw/zinc/40/02/69/434400269.db2.gz BAEZOJFMAVMQAU-GFCCVEGCSA-N 0 0 324.359 3.400 10 30 DGEERN CCNC(=O)C1CN(C(=O)Nc2csc3ccccc23)C1 ZINC000329416482 434409717 /nfs/dbraw/zinc/40/97/17/434409717.db2.gz FSHRIDVVMVULEU-UHFFFAOYSA-N 0 0 303.387 3.355 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)[C@H](C)[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000417501678 434412190 /nfs/dbraw/zinc/41/21/90/434412190.db2.gz JWXBIPALWGPDIK-XSWJXKHESA-N 0 0 318.465 3.361 10 30 DGEERN C=CCOc1ccccc1CNc1nnc(Cc2ccccc2)o1 ZINC000359280500 434416520 /nfs/dbraw/zinc/41/65/20/434416520.db2.gz HEYDRQMYCGUKPT-UHFFFAOYSA-N 0 0 321.380 3.837 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccnn1C(C)(C)C ZINC000287644729 434420820 /nfs/dbraw/zinc/42/08/20/434420820.db2.gz QWIZQCPTTFOAAW-INIZCTEOSA-N 0 0 324.428 3.394 10 30 DGEERN CN(C[C@@H]1CCCO1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000359640322 434421954 /nfs/dbraw/zinc/42/19/54/434421954.db2.gz LPOKUEVFTFWWSL-AWEZNQCLSA-N 0 0 324.428 3.099 10 30 DGEERN 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434544360 /nfs/dbraw/zinc/54/43/60/434544360.db2.gz NWJKIDWWNYJBEN-UHFFFAOYSA-N 0 0 305.381 3.070 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)CCC1 ZINC000367312883 434545123 /nfs/dbraw/zinc/54/51/23/434545123.db2.gz RLJIBLZXTDVCDM-FQEVSTJZSA-N 0 0 313.441 3.286 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000367380178 434548908 /nfs/dbraw/zinc/54/89/08/434548908.db2.gz QFZVKSSOIJJLGZ-GFCCVEGCSA-N 0 0 305.809 3.498 10 30 DGEERN Cc1c(Cl)cnc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1C#N ZINC000408193767 434550351 /nfs/dbraw/zinc/55/03/51/434550351.db2.gz DVTHPCNMNZLIOB-OCCSQVGLSA-N 0 0 307.825 3.148 10 30 DGEERN C#CCCCS(=O)(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000367754353 434557991 /nfs/dbraw/zinc/55/79/91/434557991.db2.gz VLTOOJFXTBEWQN-KRWDZBQOSA-N 0 0 305.443 3.184 10 30 DGEERN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H]1COc2ccccc21 ZINC000329647886 295012023 /nfs/dbraw/zinc/01/20/23/295012023.db2.gz AUFNHRJPMLWFOM-HZSPNIEDSA-N 0 0 317.389 3.108 10 30 DGEERN Cc1cc(C)c(C#N)c(N2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000408387715 434567757 /nfs/dbraw/zinc/56/77/57/434567757.db2.gz XZBZQAPQXXUPBJ-OAHLLOKOSA-N 0 0 321.428 3.097 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000408327220 434562635 /nfs/dbraw/zinc/56/26/35/434562635.db2.gz AGSRYUGBSIHGGC-XJKSGUPXSA-N 0 0 307.397 3.469 10 30 DGEERN N#Cc1c(C#N)c(N2CCCCCO2)nc2c1CCCCCC2 ZINC000408332414 434563811 /nfs/dbraw/zinc/56/38/11/434563811.db2.gz TVSIUPMCHOOOPI-UHFFFAOYSA-N 0 0 310.401 3.406 10 30 DGEERN Cc1cc(C#N)nc(N(C)Cc2ccccc2OC(F)(F)F)n1 ZINC000439098707 434564975 /nfs/dbraw/zinc/56/49/75/434564975.db2.gz LPCJRKXLXFSKCW-UHFFFAOYSA-N 0 0 322.290 3.192 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000369168921 434591542 /nfs/dbraw/zinc/59/15/42/434591542.db2.gz WNEAMYJAYWYBKU-IXDOHACOSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452485546 434624913 /nfs/dbraw/zinc/62/49/13/434624913.db2.gz 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/nfs/dbraw/zinc/60/86/15/434608615.db2.gz RIEFWBLQOGEWFF-BDJLRTHQSA-N 0 0 323.352 3.165 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439898151 434658687 /nfs/dbraw/zinc/65/86/87/434658687.db2.gz TUXWDSMFHLLKQM-CVEARBPZSA-N 0 0 315.413 3.140 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)[C@@H](C)CC#N ZINC000424240017 434663638 /nfs/dbraw/zinc/66/36/38/434663638.db2.gz HWGWJNYZYBYDAQ-QWHCGFSZSA-N 0 0 305.451 3.161 10 30 DGEERN C=CCn1cc(CN[C@@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000424291976 434679559 /nfs/dbraw/zinc/67/95/59/434679559.db2.gz FSNDYGJJTQRHQB-OAHLLOKOSA-N 0 0 318.808 3.121 10 30 DGEERN C=C(C)CCNC(=O)c1cccc(COC2CCOCC2)c1 ZINC000452718800 434689008 /nfs/dbraw/zinc/68/90/08/434689008.db2.gz RAWKSUVYBNNDRW-UHFFFAOYSA-N 0 0 303.402 3.078 10 30 DGEERN C=CCC1(C(=O)NCc2cc(Cl)ccc2OC)CCOCC1 ZINC000424592330 434751411 /nfs/dbraw/zinc/75/14/11/434751411.db2.gz OQFKBMUQMBMHAV-UHFFFAOYSA-N 0 0 323.820 3.338 10 30 DGEERN C=CCC1(c2nc(Cc3ccccc3OC)no2)CCOCC1 ZINC000424352053 434709926 /nfs/dbraw/zinc/70/99/26/434709926.db2.gz NVAXQGXDAYWPBL-UHFFFAOYSA-N 0 0 314.385 3.293 10 30 DGEERN N#Cc1ccc(C[C@H](C#N)C(=O)NCC2CCCCCC2)cc1 ZINC000452792893 434716935 /nfs/dbraw/zinc/71/69/35/434716935.db2.gz MGWCWVFNYQZNFF-GOSISDBHSA-N 0 0 309.413 3.327 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)CCc2ccccc2)CCOCC1 ZINC000424527023 434733643 /nfs/dbraw/zinc/73/36/43/434733643.db2.gz OMPPMBSXWXPGJV-INIZCTEOSA-N 0 0 301.430 3.497 10 30 DGEERN C=CCC1(C(=O)NCCc2cc(C)ccc2OC)CCOCC1 ZINC000424540758 434735783 /nfs/dbraw/zinc/73/57/83/434735783.db2.gz KODQKMWIRLJMGU-UHFFFAOYSA-N 0 0 317.429 3.035 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000424563018 434743031 /nfs/dbraw/zinc/74/30/31/434743031.db2.gz NFMVUMQDTCRMDH-GFCCVEGCSA-N 0 0 305.340 3.160 10 30 DGEERN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCOC[C@H](C)C1 ZINC000460811998 434771387 /nfs/dbraw/zinc/77/13/87/434771387.db2.gz IFHUBRSZEXWVJG-OAHLLOKOSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCn2c(cc3ccccc32)C1)OCC ZINC000361025951 434771038 /nfs/dbraw/zinc/77/10/38/434771038.db2.gz QCDVYYWADSRRSP-SFHVURJKSA-N 0 0 312.413 3.355 10 30 DGEERN C=CCC1(C(=O)NCCOc2cc(C)cc(C)c2)CCOCC1 ZINC000424607961 434757082 /nfs/dbraw/zinc/75/70/82/434757082.db2.gz MLWGDNKYMOSGDE-UHFFFAOYSA-N 0 0 317.429 3.171 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CCOCC1 ZINC000424609953 434757977 /nfs/dbraw/zinc/75/79/77/434757977.db2.gz VTGKDSQNAUJLLA-ZDUSSCGKSA-N 0 0 321.392 3.384 10 30 DGEERN C=CCC1(C(=O)NCCCOc2ccc(F)cc2)CCOCC1 ZINC000424633631 434765214 /nfs/dbraw/zinc/76/52/14/434765214.db2.gz ZNFXPBRUXVKWFF-UHFFFAOYSA-N 0 0 321.392 3.084 10 30 DGEERN C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1-c1ccoc1 ZINC000460802648 434772198 /nfs/dbraw/zinc/77/21/98/434772198.db2.gz KJACLXBSAWJXBK-UHFFFAOYSA-N 0 0 310.357 3.866 10 30 DGEERN C=CCOc1ccccc1CNC(=O)C1(CC=C)CCOCC1 ZINC000424656317 434772443 /nfs/dbraw/zinc/77/24/43/434772443.db2.gz AUGUGVMARFTAND-UHFFFAOYSA-N 0 0 315.413 3.241 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)Oc2ccccc2F)CCOCC1 ZINC000424679641 434778217 /nfs/dbraw/zinc/77/82/17/434778217.db2.gz BGDPEFKXGCHXLL-AWEZNQCLSA-N 0 0 321.392 3.082 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@H](OCCCC)C2(C)C)CCOCC1 ZINC000424699990 434783398 /nfs/dbraw/zinc/78/33/98/434783398.db2.gz GZRXRIZDXOXWRI-HOTGVXAUSA-N 0 0 323.477 3.459 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444700640 434786257 /nfs/dbraw/zinc/78/62/57/434786257.db2.gz ODUPIYIGQSYFOD-QWHCGFSZSA-N 0 0 306.372 3.074 10 30 DGEERN C=CC[C@@H]1N(CC(=O)Nc2nc(C)cs2)CCCC1(C)C ZINC000444773378 434790942 /nfs/dbraw/zinc/79/09/42/434790942.db2.gz CXNKFDXAZBEGQN-ZDUSSCGKSA-N 0 0 307.463 3.457 10 30 DGEERN C=CCC1(C(=O)NCCc2cccc(OCC)c2)CCOCC1 ZINC000424734043 434791165 /nfs/dbraw/zinc/79/11/65/434791165.db2.gz HOKKHSIXEFYERS-UHFFFAOYSA-N 0 0 317.429 3.117 10 30 DGEERN C=CCC1(C(=O)N2CCc3c(F)cccc3C2)CCOCC1 ZINC000424743324 434793069 /nfs/dbraw/zinc/79/30/69/434793069.db2.gz AYPUISSGDSRXBF-UHFFFAOYSA-N 0 0 303.377 3.083 10 30 DGEERN CCc1noc(COc2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000361084814 434793946 /nfs/dbraw/zinc/79/39/46/434793946.db2.gz RMBIXVQZYBMQIF-UHFFFAOYSA-N 0 0 322.324 3.270 10 30 DGEERN C=CCCN(C)C(=O)c1c(C)ccc(Br)c1OC ZINC000424796270 434804642 /nfs/dbraw/zinc/80/46/42/434804642.db2.gz QEISGZOSYDNZRM-UHFFFAOYSA-N 0 0 312.207 3.414 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446461298 434862297 /nfs/dbraw/zinc/86/22/97/434862297.db2.gz FEJJAXFMMNXPLG-PWSUYJOCSA-N 0 0 318.343 3.068 10 30 DGEERN C=CCC1(C(=O)NC[C@H](CC)CC(F)(F)F)CCOCC1 ZINC000424877562 434822590 /nfs/dbraw/zinc/82/25/90/434822590.db2.gz IZLUPLLNBCVIEC-GFCCVEGCSA-N 0 0 307.356 3.454 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000424924319 434829358 /nfs/dbraw/zinc/82/93/58/434829358.db2.gz LNWLRTFVBQKWGY-IMJJTQAJSA-N 0 0 315.413 3.039 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000424933659 434829924 /nfs/dbraw/zinc/82/99/24/434829924.db2.gz RMTUTIZOBLROPQ-RDJZCZTQSA-N 0 0 301.430 3.234 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000424934325 434830270 /nfs/dbraw/zinc/83/02/70/434830270.db2.gz USGIBNAKQMJTFS-HFTRVMKXSA-N 0 0 317.429 3.285 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C(C)C)C1 ZINC000445880907 434833954 /nfs/dbraw/zinc/83/39/54/434833954.db2.gz PVYFGOBNRHYFTF-MRXNPFEDSA-N 0 0 302.418 3.439 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)CCOCC1 ZINC000424980506 434837804 /nfs/dbraw/zinc/83/78/04/434837804.db2.gz KPTDUHPAABDPJV-MAUKXSAKSA-N 0 0 303.377 3.113 10 30 DGEERN Cc1cnc(C2CCN(C(=O)c3sccc3C#N)CC2)s1 ZINC000372868191 434859729 /nfs/dbraw/zinc/85/97/29/434859729.db2.gz GDDZHJGKZHRRGD-UHFFFAOYSA-N 0 0 317.439 3.405 10 30 DGEERN C=C(C)CN(CC)c1nnc(CCC(C)C)n1C[C@@H]1CCCO1 ZINC000461248092 434875736 /nfs/dbraw/zinc/87/57/36/434875736.db2.gz OSUVHMISOHETMS-INIZCTEOSA-N 0 0 320.481 3.448 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000553084845 434878157 /nfs/dbraw/zinc/87/81/57/434878157.db2.gz BCNQVVOAUHDGRX-FVQHAEBGSA-N 0 0 303.402 3.113 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccon1 ZINC000573316296 434888686 /nfs/dbraw/zinc/88/86/86/434888686.db2.gz OOXBRJBLDXTVBE-ZDUSSCGKSA-N 0 0 319.434 3.047 10 30 DGEERN C=CCCCCCNC(=O)Nc1cnn(C)c1C(F)(F)F ZINC000573336686 434891883 /nfs/dbraw/zinc/89/18/83/434891883.db2.gz YHACSWXNFAXISM-UHFFFAOYSA-N 0 0 304.316 3.307 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC1CC1 ZINC000522888911 434935672 /nfs/dbraw/zinc/93/56/72/434935672.db2.gz AZOHZODYDKDQSV-KRWDZBQOSA-N 0 0 300.402 3.268 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC000574321165 434969375 /nfs/dbraw/zinc/96/93/75/434969375.db2.gz FAUZNGJYLUMQRY-GOSISDBHSA-N 0 0 320.481 3.448 10 30 DGEERN N#Cc1cnccc1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000574341251 434971519 /nfs/dbraw/zinc/97/15/19/434971519.db2.gz HYWHODAANLVPNO-UHFFFAOYSA-N 0 0 309.760 3.017 10 30 DGEERN CCC[C@H](C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000522584313 434926600 /nfs/dbraw/zinc/92/66/00/434926600.db2.gz PCGHCOMNWULRGS-SECBINFHSA-N 0 0 301.173 3.181 10 30 DGEERN COC(=O)c1c(Br)ccc(OC(F)(F)F)c1C#N ZINC000575383429 435033450 /nfs/dbraw/zinc/03/34/50/435033450.db2.gz GCAFBDNUOOBGCR-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C[C@H](CC#N)N(C)Cc1ccc(Br)c(F)c1F ZINC000528406705 435023215 /nfs/dbraw/zinc/02/32/15/435023215.db2.gz XPKJBGDJQRGLTD-MRVPVSSYSA-N 0 0 303.150 3.461 10 30 DGEERN COC(=O)Cc1c(C#N)cc(OC(F)(F)F)cc1C(F)F ZINC000575344191 435030837 /nfs/dbraw/zinc/03/08/37/435030837.db2.gz UHVVELOAWKNBMX-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000464440582 434988038 /nfs/dbraw/zinc/98/80/38/434988038.db2.gz XPLPPCIOEJRZFL-ZDUSSCGKSA-N 0 0 305.374 3.169 10 30 DGEERN C=CCC(C)(C)c1noc(-c2cnc(OCC3CC3)cn2)n1 ZINC000574658145 434994965 /nfs/dbraw/zinc/99/49/65/434994965.db2.gz XBWZIORIVJRKJJ-UHFFFAOYSA-N 0 0 300.362 3.169 10 30 DGEERN COC(=O)Cc1ccc(C(F)F)c(C#N)c1OC(F)(F)F ZINC000575387651 435034636 /nfs/dbraw/zinc/03/46/36/435034636.db2.gz UDWXWUMOEYTRST-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000577264302 435059604 /nfs/dbraw/zinc/05/96/04/435059604.db2.gz YWTUSYVKNHGXAR-HIFRSBDPSA-N 0 0 304.390 3.186 10 30 DGEERN Cc1cc(C#N)nc(N2CCCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000557629482 435060272 /nfs/dbraw/zinc/06/02/72/435060272.db2.gz RMMFNTCMAMDHRH-QGZVFWFLSA-N 0 0 310.376 3.397 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466321864 435071280 /nfs/dbraw/zinc/07/12/80/435071280.db2.gz AQDMEOZDZYXFDF-MSOLQXFVSA-N 0 0 315.461 3.257 10 30 DGEERN CC(C)CCOC1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531146061 435075455 /nfs/dbraw/zinc/07/54/55/435075455.db2.gz ZSANBBKFYXAZJY-UHFFFAOYSA-N 0 0 314.429 3.154 10 30 DGEERN Cc1nc(SCC(=O)N2CCC23CCC3)c(C#N)c(C)c1C ZINC000531354829 435088476 /nfs/dbraw/zinc/08/84/76/435088476.db2.gz ISNGOJUJMGPFFW-UHFFFAOYSA-N 0 0 315.442 3.126 10 30 DGEERN CCOC(=O)c1c(OC(F)F)cc(C#N)cc1C(F)(F)F ZINC000575386897 435034791 /nfs/dbraw/zinc/03/47/91/435034791.db2.gz OCTACMSQEGCTGG-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CC(C)(CNC(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000531391071 435089767 /nfs/dbraw/zinc/08/97/67/435089767.db2.gz RMPHCZKXSRAOAA-UHFFFAOYSA-N 0 0 310.372 3.334 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(C=O)c1SC(F)(F)F ZINC000575391063 435035105 /nfs/dbraw/zinc/03/51/05/435035105.db2.gz HGKIJQPJYVUIEM-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(OC)c(SC(F)(F)F)c1 ZINC000575394194 435035216 /nfs/dbraw/zinc/03/52/16/435035216.db2.gz GWFKPYOZZNSEFO-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC000529243964 435035239 /nfs/dbraw/zinc/03/52/39/435035239.db2.gz JEHYODQSIYHHTC-STQMWFEESA-N 0 0 301.377 3.299 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(SC(F)(F)F)cc1OC ZINC000575394551 435035415 /nfs/dbraw/zinc/03/54/15/435035415.db2.gz IVJMMHWHOVHBTB-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc(C=O)c(C#N)c(SC(F)(F)F)c1 ZINC000575391323 435035602 /nfs/dbraw/zinc/03/56/02/435035602.db2.gz JRPVRPHQELIMIN-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000529351941 435035665 /nfs/dbraw/zinc/03/56/65/435035665.db2.gz UQXRSLQAQNPBED-MRXNPFEDSA-N 0 0 317.429 3.461 10 30 DGEERN CCOC(=O)Cc1cc(C=O)c(C#N)cc1SC(F)(F)F ZINC000575391408 435035886 /nfs/dbraw/zinc/03/58/86/435035886.db2.gz LZTQKVKCJDXUOX-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=CC(C)(C)CNC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000529449617 435036612 /nfs/dbraw/zinc/03/66/12/435036612.db2.gz BVAHTGMPTVEMEJ-UHFFFAOYSA-N 0 0 315.339 3.180 10 30 DGEERN CCc1ccc(I)c(C#N)c1OC(F)F ZINC000575654495 435039078 /nfs/dbraw/zinc/03/90/78/435039078.db2.gz FZOBIDCMPRHTMF-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000531390908 435089867 /nfs/dbraw/zinc/08/98/67/435089867.db2.gz MABYLKOVPCGUBE-BEFAXECRSA-N 0 0 320.392 3.089 10 30 DGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575666471 435040682 /nfs/dbraw/zinc/04/06/82/435040682.db2.gz JBKZYGRMQUHNIU-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN Cc1cc(I)cc(OC(F)F)c1C#N ZINC000575663771 435041051 /nfs/dbraw/zinc/04/10/51/435041051.db2.gz LLDUKEABDXYKDS-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN N#Cc1cc(C(F)F)c(I)cc1[N+](=O)[O-] ZINC000575670356 435041545 /nfs/dbraw/zinc/04/15/45/435041545.db2.gz CBSQPQCTEGGHJV-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc([N+](=O)[O-])c(OC(F)F)cc1OC(F)(F)F ZINC000575667453 435041655 /nfs/dbraw/zinc/04/16/55/435041655.db2.gz NFWNLDSAVWXNRR-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN CCOc1cc(I)cc(C#N)c1CC ZINC000575671472 435042142 /nfs/dbraw/zinc/04/21/42/435042142.db2.gz YARKZUCMUYPJJO-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#CCc1cc(C(F)F)c(I)cc1F ZINC000575667137 435042401 /nfs/dbraw/zinc/04/24/01/435042401.db2.gz HNNCXEJQIRRVAY-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#CCc1cc(OC(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575668345 435042421 /nfs/dbraw/zinc/04/24/21/435042421.db2.gz VHHPONCEKRUCQR-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#CCc1c(Br)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575686382 435044360 /nfs/dbraw/zinc/04/43/60/435044360.db2.gz PTJNYSQILWGKTL-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN Cc1cc(I)c(Br)c(C#N)c1 ZINC000575692437 435044981 /nfs/dbraw/zinc/04/49/81/435044981.db2.gz DQSIXQYOJNEHEJ-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN COc1cc(Br)c(CC#N)cc1Br ZINC000575694083 435045056 /nfs/dbraw/zinc/04/50/56/435045056.db2.gz IBFXQARVFUHOJX-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN Cc1c(Br)c(I)ccc1C#N ZINC000575693508 435045491 /nfs/dbraw/zinc/04/54/91/435045491.db2.gz YPLUTJUVOYEVGH-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CCOc1cc(C)c(CC#N)c(I)c1 ZINC000575697789 435046205 /nfs/dbraw/zinc/04/62/05/435046205.db2.gz LXQIMWJEJFDTTC-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN COc1cc(I)cc(SC)c1CC#N ZINC000575709762 435048856 /nfs/dbraw/zinc/04/88/56/435048856.db2.gz ZIQZDESBVFIYRO-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COc1ccc(I)c(CC#N)c1SC ZINC000575709595 435049545 /nfs/dbraw/zinc/04/95/45/435049545.db2.gz QTWXMDSMZHTMCS-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000576154065 435054029 /nfs/dbraw/zinc/05/40/29/435054029.db2.gz XTJXTUNRPIIMTH-JQHSSLGASA-N 0 0 314.429 3.297 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000576356603 435055844 /nfs/dbraw/zinc/05/58/44/435055844.db2.gz FKTKHMHOVBUSIF-UHFFFAOYSA-N 0 0 312.417 3.418 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000576586117 435056800 /nfs/dbraw/zinc/05/68/00/435056800.db2.gz NGEMSVBWLMNCLN-KBPBESRZSA-N 0 0 309.450 3.415 10 30 DGEERN CCn1ccnc1[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000559610246 435134567 /nfs/dbraw/zinc/13/45/67/435134567.db2.gz XKQPYFVPTZCTMF-QGZVFWFLSA-N 0 0 322.412 3.071 10 30 DGEERN CCCOc1cccc(CCNC(=O)Cc2cccc(C#N)c2)c1 ZINC000532773301 435191186 /nfs/dbraw/zinc/19/11/86/435191186.db2.gz MHXCWAGKPOEIQU-UHFFFAOYSA-N 0 0 322.408 3.248 10 30 DGEERN Cc1cc(C#N)nc(NC[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000561306019 435210107 /nfs/dbraw/zinc/21/01/07/435210107.db2.gz WAKRXYMWJCKAEM-JTQLQIEISA-N 0 0 320.318 3.891 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000580446901 435234847 /nfs/dbraw/zinc/23/48/47/435234847.db2.gz ZTFSCJNZQRETNT-QWHCGFSZSA-N 0 0 322.371 3.078 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC(C)CC1 ZINC000583564528 435242083 /nfs/dbraw/zinc/24/20/83/435242083.db2.gz VDCKHYVVLXNFOF-UHFFFAOYSA-N 0 0 303.435 3.132 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000563172613 435266744 /nfs/dbraw/zinc/26/67/44/435266744.db2.gz IIGHRXHHMCDPNO-NVXWUHKLSA-N 0 0 323.440 3.383 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NCCOCC1CCC1 ZINC000564669001 435272991 /nfs/dbraw/zinc/27/29/91/435272991.db2.gz UGSKEWWTLFOZNW-UHFFFAOYSA-N 0 0 320.408 3.340 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000564723897 435273505 /nfs/dbraw/zinc/27/35/05/435273505.db2.gz DIWOIRPKTVCLNZ-BJWYYQGGSA-N 0 0 316.449 3.350 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000565153377 435278153 /nfs/dbraw/zinc/27/81/53/435278153.db2.gz PTFDKGSBMOHOLE-OAHLLOKOSA-N 0 0 302.422 3.248 10 30 DGEERN C=CCC1(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CCOCC1 ZINC000565770270 435281176 /nfs/dbraw/zinc/28/11/76/435281176.db2.gz MOEZEXACXQKZNM-ZFWWWQNUSA-N 0 0 303.402 3.392 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000566420328 435286400 /nfs/dbraw/zinc/28/64/00/435286400.db2.gz MBRURFPDFKUIER-UHFFFAOYSA-N 0 0 314.429 3.285 10 30 DGEERN C=CCCCCCNC(=O)NCc1c(CC)nn(C)c1CC ZINC000567177432 435293760 /nfs/dbraw/zinc/29/37/60/435293760.db2.gz HKXDOPLNQGDMJF-UHFFFAOYSA-N 0 0 306.454 3.091 10 30 DGEERN C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000567313569 435306672 /nfs/dbraw/zinc/30/66/72/435306672.db2.gz BKRPYFWPESBBEE-JKSUJKDBSA-N 0 0 324.428 3.052 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000535322752 435326701 /nfs/dbraw/zinc/32/67/01/435326701.db2.gz VFFSKVATEHGAMZ-SECBINFHSA-N 0 0 303.328 3.097 10 30 DGEERN CN(C[C@@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1C ZINC000508607855 435310446 /nfs/dbraw/zinc/31/04/46/435310446.db2.gz DPCXPVCYBOPGPG-CQSZACIVSA-N 0 0 307.401 3.146 10 30 DGEERN C=CCCCN(C)S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000480982891 435403426 /nfs/dbraw/zinc/40/34/26/435403426.db2.gz AILLOECTVZLJKY-UHFFFAOYSA-N 0 0 314.495 3.176 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1C[C@H]1C ZINC000481230216 435415387 /nfs/dbraw/zinc/41/53/87/435415387.db2.gz OTRQWLHRXPTDPI-ZBFHGGJFSA-N 0 0 304.438 3.208 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@H]1C ZINC000568816387 435473197 /nfs/dbraw/zinc/47/31/97/435473197.db2.gz JKIWKNFHESMQFU-ZIAGYGMSSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000568448170 435437974 /nfs/dbraw/zinc/43/79/74/435437974.db2.gz YRRUKNAYPCRHRP-IRXDYDNUSA-N 0 0 308.429 3.352 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1 ZINC000569119214 435505785 /nfs/dbraw/zinc/50/57/85/435505785.db2.gz ZGOPQWYFXYTJTG-VTJXTGGHSA-N 0 0 314.495 3.112 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000569119210 435506967 /nfs/dbraw/zinc/50/69/67/435506967.db2.gz ZGOPQWYFXYTJTG-LRAJWGHMSA-N 0 0 314.495 3.112 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000538421422 435500549 /nfs/dbraw/zinc/50/05/49/435500549.db2.gz UVKOHDJNAIOEAZ-ZDUSSCGKSA-N 0 0 318.392 3.405 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000539446999 435553415 /nfs/dbraw/zinc/55/34/15/435553415.db2.gz PEPQVHPWDLRLRT-CYBMUJFWSA-N 0 0 304.390 3.268 10 30 DGEERN COc1cccc(C2=CCN(C(=O)Cc3cccc(C#N)c3)C2)c1 ZINC000540932242 435626717 /nfs/dbraw/zinc/62/67/17/435626717.db2.gz TXKMFANSTSALAI-UHFFFAOYSA-N 0 0 318.376 3.035 10 30 DGEERN C=CCCCCCNC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570525052 435629212 /nfs/dbraw/zinc/62/92/12/435629212.db2.gz GCCKEKIWFSDFAL-CQSZACIVSA-N 0 0 310.438 3.106 10 30 DGEERN CC1(c2cc(NC(=O)Nc3cccc(C#N)c3)no2)CCCC1 ZINC000570658764 435638367 /nfs/dbraw/zinc/63/83/67/435638367.db2.gz VUQZKFKUQNSGPZ-UHFFFAOYSA-N 0 0 310.357 4.022 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000519653785 435696839 /nfs/dbraw/zinc/69/68/39/435696839.db2.gz OOMJATMJTHQTPI-DOMZBBRYSA-N 0 0 308.397 3.149 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000572129134 435784302 /nfs/dbraw/zinc/78/43/02/435784302.db2.gz ZOYLDGLQCYKTGR-NVXWUHKLSA-N 0 0 324.428 3.074 10 30 DGEERN C[C@H]1OCCC[C@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000190328129 300586462 /nfs/dbraw/zinc/58/64/62/300586462.db2.gz JXOWQRSRDOSZKX-XYSPPFBYSA-N 0 0 306.450 3.416 10 30 DGEERN Cc1c(C(=O)N[C@H]2CCC[C@H]2C#N)cnn1C1CCCCC1 ZINC000408168229 300944057 /nfs/dbraw/zinc/94/40/57/300944057.db2.gz HZBKSIMQBXTKCH-BBRMVZONSA-N 0 0 300.406 3.119 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncc(C#N)cc1Cl ZINC000108951384 302764050 /nfs/dbraw/zinc/76/40/50/302764050.db2.gz GNHLLOVVXHIBNM-AWEZNQCLSA-N 0 0 315.808 3.299 10 30 DGEERN N#Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccn1 ZINC000192700104 303179658 /nfs/dbraw/zinc/17/96/58/303179658.db2.gz QXJXXMWNDOCANI-QGZVFWFLSA-N 0 0 306.369 3.106 10 30 DGEERN CCCn1c2ccccc2nc1NC(=O)Cc1cccc(C#N)c1 ZINC000531151777 313436326 /nfs/dbraw/zinc/43/63/26/313436326.db2.gz BQDRZLNOVPYRGR-UHFFFAOYSA-N 0 0 318.380 3.499 10 30 DGEERN Cc1cccc([C@H]2CCCN2C(=O)Cc2cccc(C#N)c2)n1 ZINC000532533591 313559698 /nfs/dbraw/zinc/55/96/98/313559698.db2.gz YTMLRGKQAHLMBH-GOSISDBHSA-N 0 0 305.381 3.168 10 30 DGEERN COCc1ccc([C@H]2CCCN2C(=O)Cc2cccc(C#N)c2)o1 ZINC000545229740 314236026 /nfs/dbraw/zinc/23/60/26/314236026.db2.gz JYNAJUWAZRXTND-QGZVFWFLSA-N 0 0 324.380 3.204 10 30 DGEERN N#Cc1cnccc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000547825747 314399416 /nfs/dbraw/zinc/39/94/16/314399416.db2.gz FPEYHPJYBCTOCX-UHFFFAOYSA-N 0 0 315.323 3.279 10 30 DGEERN Cc1nsc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000553483107 314645285 /nfs/dbraw/zinc/64/52/85/314645285.db2.gz PEMMQFJIIXABHA-LBPRGKRZSA-N 0 0 321.446 3.271 10 30 DGEERN C[C@](O)(CNC(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000555410039 314722744 /nfs/dbraw/zinc/72/27/44/314722744.db2.gz QXGBRHMQSPJZSO-KRWDZBQOSA-N 0 0 320.820 3.273 10 30 DGEERN N#Cc1cnccc1Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000562868237 315058133 /nfs/dbraw/zinc/05/81/33/315058133.db2.gz DQEGHRXSMSAJEH-UHFFFAOYSA-N 0 0 311.238 3.199 10 30 DGEERN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000562884510 315059213 /nfs/dbraw/zinc/05/92/13/315059213.db2.gz HMXAHQFRSGMDTA-IAQYHMDHSA-N 0 0 306.381 3.468 10 30 DGEERN C[C@H]1C[C@@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000564619695 315186341 /nfs/dbraw/zinc/18/63/41/315186341.db2.gz RDLSZCZWJWZWPI-VHSXEESVSA-N 0 0 303.312 3.198 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000571356255 315715165 /nfs/dbraw/zinc/71/51/65/315715165.db2.gz QQJLDUOKYRKEFK-KUHUBIRLSA-N 0 0 319.408 3.333 10 30 DGEERN CC[C@H](C)Oc1cc(CNC(=O)c2ccc(C#N)cc2C)ccn1 ZINC000180827671 323239522 /nfs/dbraw/zinc/23/95/22/323239522.db2.gz VQMRXWZWWKACKK-AWEZNQCLSA-N 0 0 323.396 3.369 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N(C[C@@H](C)OC)C(C)C ZINC000525436528 331468780 /nfs/dbraw/zinc/46/87/80/331468780.db2.gz BISILWHXKHINLW-OAHLLOKOSA-N 0 0 320.433 3.206 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)[C@H](C)CCSCC)cc1 ZINC000297736537 331606093 /nfs/dbraw/zinc/60/60/93/331606093.db2.gz UGMIYUYHBVOSPU-CQSZACIVSA-N 0 0 304.459 3.341 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1CCCCC1 ZINC000558347204 331897771 /nfs/dbraw/zinc/89/77/71/331897771.db2.gz PBCVMJUZYOSCGB-UHFFFAOYSA-N 0 0 320.433 3.440 10 30 DGEERN CC[C@@H](Oc1ccccc1F)C(=O)N[C@](C)(C#N)CC(C)C ZINC000533877619 332230106 /nfs/dbraw/zinc/23/01/06/332230106.db2.gz ANFAQKQVHFPYSP-PBHICJAKSA-N 0 0 306.381 3.428 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1ccccc1Cl ZINC000425589477 335108187 /nfs/dbraw/zinc/10/81/87/335108187.db2.gz UFKDMZJCRBTTHA-BBRMVZONSA-N 0 0 322.836 3.463 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000185054509 335110534 /nfs/dbraw/zinc/11/05/34/335110534.db2.gz UMJYSRQRDFZDAA-HNNXBMFYSA-N 0 0 314.429 3.466 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(COCCOC)cc1 ZINC000293494213 335110783 /nfs/dbraw/zinc/11/07/83/335110783.db2.gz YNNNPLZWDFAWJJ-OAHLLOKOSA-N 0 0 305.418 3.068 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CNC(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000248604811 332614099 /nfs/dbraw/zinc/61/40/99/332614099.db2.gz FDANRPPGVZQHLL-UXLLHSPISA-N 0 0 320.477 3.202 10 30 DGEERN C=CCCCCCNC(=O)CCCn1c(C)cc(=O)cc1C ZINC000570407627 332751206 /nfs/dbraw/zinc/75/12/06/332751206.db2.gz HHRYCUHQBXXTSV-UHFFFAOYSA-N 0 0 304.434 3.108 10 30 DGEERN C=CC[C@H]1N(C(=O)Cn2cnc3c2CCCC3)CCCC1(C)C ZINC000516706597 333128633 /nfs/dbraw/zinc/12/86/33/333128633.db2.gz LWLPVWFFWAUAGD-QGZVFWFLSA-N 0 0 315.461 3.355 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cn2ccnc2s1 ZINC000188389052 333365200 /nfs/dbraw/zinc/36/52/00/333365200.db2.gz BRPXPJQCRUQNGN-UHFFFAOYSA-N 0 0 311.410 3.267 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000188503175 333368924 /nfs/dbraw/zinc/36/89/24/333368924.db2.gz PQZXSGZLHSKTFM-YVEFUNNKSA-N 0 0 308.372 3.262 10 30 DGEERN C=CCCCCCNC(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000580347474 335141985 /nfs/dbraw/zinc/14/19/85/335141985.db2.gz YDYPXFGPPSSUHE-UHFFFAOYSA-N 0 0 324.371 3.103 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc(C2CCCC2)nc1C ZINC000563618108 333638015 /nfs/dbraw/zinc/63/80/15/333638015.db2.gz NKKKJGWKMGCHNW-KBPBESRZSA-N 0 0 320.458 3.430 10 30 DGEERN C=CCCCCCNC(=O)NCc1cc(OC)ccc1OC ZINC000571296624 333713505 /nfs/dbraw/zinc/71/35/05/333713505.db2.gz VNQQHWSPLYJWFT-UHFFFAOYSA-N 0 0 306.406 3.249 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1OC ZINC000571514551 333810945 /nfs/dbraw/zinc/81/09/45/333810945.db2.gz XGRXFHFUXFEDIW-GWCFXTLKSA-N 0 0 310.781 3.061 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000126669896 334860818 /nfs/dbraw/zinc/86/08/18/334860818.db2.gz SSZCGGBSBDYPLR-KRWDZBQOSA-N 0 0 318.461 3.396 10 30 DGEERN C=CCC1(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CCOCC1 ZINC000518966296 335752942 /nfs/dbraw/zinc/75/29/42/335752942.db2.gz KGDIKVITCIDETR-CYBMUJFWSA-N 0 0 303.406 3.166 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@@H](C)c2ccc3ncsc3c2)C1=O ZINC000514663843 336396081 /nfs/dbraw/zinc/39/60/81/336396081.db2.gz KJBBAPAHNXPWLR-GWCFXTLKSA-N 0 0 315.398 3.244 10 30 DGEERN C=CCOCCCC(=O)NC1(c2noc(C)n2)CCCCCC1 ZINC000361366047 336753830 /nfs/dbraw/zinc/75/38/30/336753830.db2.gz NXBWNMMNBRTMEN-UHFFFAOYSA-N 0 0 321.421 3.027 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000582495141 337100382 /nfs/dbraw/zinc/10/03/82/337100382.db2.gz YUJYXCYBRVRHHO-UHFFFAOYSA-N 0 0 317.433 3.185 10 30 DGEERN CC(=O)c1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1Cl ZINC000181024995 337179368 /nfs/dbraw/zinc/17/93/68/337179368.db2.gz RELUITQJEWYUJQ-MRXNPFEDSA-N 0 0 321.808 3.009 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000183860827 337195071 /nfs/dbraw/zinc/19/50/71/337195071.db2.gz HPAGPLKEYJHQEL-LBPRGKRZSA-N 0 0 316.792 3.256 10 30 DGEERN COc1cc2c(cc1OC)[C@H](C#N)N(Cc1ccccc1)CC2 ZINC000584619791 337371003 /nfs/dbraw/zinc/37/10/03/337371003.db2.gz CFUXNJRTKYEOOV-KRWDZBQOSA-N 0 0 308.381 3.327 10 30 DGEERN O=C1C=C(Nc2cnc3ccccc3c2)c2ccccc2C1=O ZINC000584614536 337372650 /nfs/dbraw/zinc/37/26/50/337372650.db2.gz BVMIENKHFPIROK-UHFFFAOYSA-N 0 0 300.317 3.453 10 30 DGEERN N#Cc1cc(OCC(F)(F)F)c(OCC(F)(F)F)cc1C#N ZINC000584614342 337372653 /nfs/dbraw/zinc/37/26/53/337372653.db2.gz CXCDYPRESGHUAF-UHFFFAOYSA-N 0 0 324.180 3.312 10 30 DGEERN C=CC[C@H](Cc1cc(OC)c(OC)c(OC)c1)N(CC)C(C)=O ZINC000584591176 337373425 /nfs/dbraw/zinc/37/34/25/337373425.db2.gz NRAAKOQERZCPLH-OAHLLOKOSA-N 0 0 321.417 3.068 10 30 DGEERN CCCCCCCC(=O)NC[C@@H](CO)OCCCCCC ZINC000584651069 337380917 /nfs/dbraw/zinc/38/09/17/337380917.db2.gz YWKMQFXNVNWCHD-INIZCTEOSA-N 0 0 301.471 3.421 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000571697658 337571708 /nfs/dbraw/zinc/57/17/08/337571708.db2.gz JYBPMZXJBVZGIE-UHFFFAOYSA-N 0 0 324.446 3.348 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc2ccccc2o1 ZINC000572115453 337591374 /nfs/dbraw/zinc/59/13/74/337591374.db2.gz UVNLXZRQFHYFDB-HOCLYGCPSA-N 0 0 314.385 3.165 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C2CC2)cc1 ZINC000572200569 337596586 /nfs/dbraw/zinc/59/65/86/337596586.db2.gz ZGXKVOQUJUALMH-MSOLQXFVSA-N 0 0 314.429 3.344 10 30 DGEERN COc1cc(C2(C(=O)N[C@H](C#N)C3CC3)CCCC2)ccc1C ZINC000161933757 337598500 /nfs/dbraw/zinc/59/85/00/337598500.db2.gz VQYPFDLNNGALNF-MRXNPFEDSA-N 0 0 312.413 3.234 10 30 DGEERN C=CCCc1noc(Cc2ccc(OC)c(OC(F)F)c2)n1 ZINC000528205393 337793692 /nfs/dbraw/zinc/79/36/92/337793692.db2.gz FSWQNOSYTXVIJN-UHFFFAOYSA-N 0 0 310.300 3.389 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528285476 337799761 /nfs/dbraw/zinc/79/97/61/337799761.db2.gz ZHCMHXLKHCGCEY-OVWQWFNUSA-N 0 0 316.445 3.239 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000122730935 337924362 /nfs/dbraw/zinc/92/43/62/337924362.db2.gz OTMCJUMJEWLLJO-UHFFFAOYSA-N 0 0 312.417 3.288 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000514949012 337974881 /nfs/dbraw/zinc/97/48/81/337974881.db2.gz FPROIIBJIGRVCG-UHFFFAOYSA-N 0 0 316.445 3.124 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc2c(s1)CCCC2 ZINC000516225758 338008004 /nfs/dbraw/zinc/00/80/04/338008004.db2.gz VEIZASORIONXRM-GDBMZVCRSA-N 0 0 305.443 3.224 10 30 DGEERN C=CCCCN(C)c1nnc(CCC(C)C)n1C[C@H]1CCOC1 ZINC000516495011 338013827 /nfs/dbraw/zinc/01/38/27/338013827.db2.gz WMJXYBMNTHYWDC-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455711129 338904452 /nfs/dbraw/zinc/90/44/52/338904452.db2.gz AONUVUZVXGYQME-UHFFFAOYSA-N 0 0 320.437 3.134 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cn(CCCCC)nc1C ZINC000503805334 340134806 /nfs/dbraw/zinc/13/48/06/340134806.db2.gz MSBZLNIWFFFDNV-UHFFFAOYSA-N 0 0 306.454 3.489 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000505035630 340159452 /nfs/dbraw/zinc/15/94/52/340159452.db2.gz OFMOEHCOOIJWQQ-NVXWUHKLSA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)CCn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O ZINC000505519458 340170139 /nfs/dbraw/zinc/17/01/39/340170139.db2.gz KQEGUTOHGDDNDJ-UHFFFAOYSA-N 0 0 312.369 3.038 10 30 DGEERN C=CCCCNC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000507456629 340220387 /nfs/dbraw/zinc/22/03/87/340220387.db2.gz RAOVSRSNCJMHDN-QGZVFWFLSA-N 0 0 322.836 3.307 10 30 DGEERN C=CCCCN(C)c1nnc(CCCc2cccs2)n1C ZINC000507882131 340235146 /nfs/dbraw/zinc/23/51/46/340235146.db2.gz ZCGHSIRTRUPFGL-UHFFFAOYSA-N 0 0 304.463 3.454 10 30 DGEERN CC[C@H]1CCCC[C@@H]1OCC(=O)NCC1CCC(C#N)CC1 ZINC000508352805 340242768 /nfs/dbraw/zinc/24/27/68/340242768.db2.gz PRTZELKKCWJLEG-GQGLESIBSA-N 0 0 306.450 3.418 10 30 DGEERN C=CCOc1ccc(CNC(=O)N(C[C@H](C)OC)C(C)C)cc1 ZINC000508430234 340243653 /nfs/dbraw/zinc/24/36/53/340243653.db2.gz AGEILEBFCDZVJS-HNNXBMFYSA-N 0 0 320.433 3.206 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](CC)C1 ZINC000508816990 340253642 /nfs/dbraw/zinc/25/36/42/340253642.db2.gz LQMAKFNWINBGBF-WMLDXEAASA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000508818652 340253708 /nfs/dbraw/zinc/25/37/08/340253708.db2.gz UEFDXNMZMPZFAF-GASCZTMLSA-N 0 0 312.417 3.433 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C)(C)C1 ZINC000508915671 340255765 /nfs/dbraw/zinc/25/57/65/340255765.db2.gz YCYDLDMKWKJRHS-MRXNPFEDSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000508930714 340255876 /nfs/dbraw/zinc/25/58/76/340255876.db2.gz GCMIBQMGWCEATM-GOEBONIOSA-N 0 0 318.465 3.056 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000508929177 340255887 /nfs/dbraw/zinc/25/58/87/340255887.db2.gz GKMOFFCFYRQUEC-CALCHBBNSA-N 0 0 322.456 3.456 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509203096 340263782 /nfs/dbraw/zinc/26/37/82/340263782.db2.gz NPDRTAVDVIKFPZ-CQSZACIVSA-N 0 0 311.447 3.335 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509230709 340264150 /nfs/dbraw/zinc/26/41/50/340264150.db2.gz BDWYYVWNMXRROJ-CQSZACIVSA-N 0 0 309.431 3.041 10 30 DGEERN C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509230708 340264198 /nfs/dbraw/zinc/26/41/98/340264198.db2.gz BDWYYVWNMXRROJ-AWEZNQCLSA-N 0 0 309.431 3.041 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510112038 340289170 /nfs/dbraw/zinc/28/91/70/340289170.db2.gz IBJGLPMHSWBBII-OKILXGFUSA-N 0 0 320.458 3.012 10 30 DGEERN N#C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C1CC1 ZINC000173260953 340361265 /nfs/dbraw/zinc/36/12/65/340361265.db2.gz RMJHBHSXSOFIEP-KRWDZBQOSA-N 0 0 309.344 3.283 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177784512 340443470 /nfs/dbraw/zinc/44/34/70/340443470.db2.gz NAMKMAGDDSTUCW-HNNXBMFYSA-N 0 0 306.362 3.145 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000185529710 340502392 /nfs/dbraw/zinc/50/23/92/340502392.db2.gz LESCIRUMXUHGSK-OAHLLOKOSA-N 0 0 314.429 3.028 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000187019095 340517377 /nfs/dbraw/zinc/51/73/77/340517377.db2.gz JLPSVWFXBXPBLC-ZBFHGGJFSA-N 0 0 303.402 3.236 10 30 DGEERN C=CCn1c(C)nnc1SCc1nc(C)c2ccccc2n1 ZINC000025766171 340575425 /nfs/dbraw/zinc/57/54/25/340575425.db2.gz YTNVFBQEBZHZAP-UHFFFAOYSA-N 0 0 311.414 3.316 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000529452078 340756214 /nfs/dbraw/zinc/75/62/14/340756214.db2.gz MBKBCZZNCAQMIE-JTQLQIEISA-N 0 0 315.339 3.108 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCCCC1 ZINC000530062518 340778863 /nfs/dbraw/zinc/77/88/63/340778863.db2.gz DXGWWCIJMFJTBI-WIEQDCTASA-N 0 0 309.475 3.025 10 30 DGEERN C=CCN(Cc1nc(C(C)C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288086 340797879 /nfs/dbraw/zinc/79/78/79/340797879.db2.gz DRFJUTNYQSUJLM-UHFFFAOYSA-N 0 0 316.361 3.289 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000538337505 340818712 /nfs/dbraw/zinc/81/87/12/340818712.db2.gz OBFJRNWOWSQAJS-NSHDSACASA-N 0 0 324.218 3.493 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000539291386 340879632 /nfs/dbraw/zinc/87/96/32/340879632.db2.gz HJIFIUGGLARPIN-PJPHBNEVSA-N 0 0 312.413 3.297 10 30 DGEERN C[C@H]1C[C@H]1c1ccc(CNC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000540942156 340952560 /nfs/dbraw/zinc/95/25/60/340952560.db2.gz QWWIZLFSMNXKJW-GXTWGEPZSA-N 0 0 301.390 3.238 10 30 DGEERN CC1(C#N)CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC000540958040 340953243 /nfs/dbraw/zinc/95/32/43/340953243.db2.gz SBDJGMNCBARPTC-UHFFFAOYSA-N 0 0 313.332 3.247 10 30 DGEERN Cc1c(NC(=O)N2CCC(CC#N)CC2)cccc1N(C)C ZINC000541962099 340991483 /nfs/dbraw/zinc/99/14/83/340991483.db2.gz JKEPGCXLUNIXQV-UHFFFAOYSA-N 0 0 300.406 3.219 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000543703470 341054185 /nfs/dbraw/zinc/05/41/85/341054185.db2.gz GZVXFPGKDCKMQA-UHFFFAOYSA-N 0 0 311.341 3.134 10 30 DGEERN CC#CCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544579445 341087061 /nfs/dbraw/zinc/08/70/61/341087061.db2.gz RXGOSSSKDNPBOD-INIZCTEOSA-N 0 0 313.445 3.023 10 30 DGEERN C=CCNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000132420077 341122703 /nfs/dbraw/zinc/12/27/03/341122703.db2.gz BUJLJMRAVZMKCG-UHFFFAOYSA-N 0 0 315.236 3.371 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OC)c(Br)c1 ZINC000076485982 341208072 /nfs/dbraw/zinc/20/80/72/341208072.db2.gz KKRITGRPHSKVFO-UHFFFAOYSA-N 0 0 312.207 3.496 10 30 DGEERN C=CCOc1ccccc1C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000134585941 341218998 /nfs/dbraw/zinc/21/89/98/341218998.db2.gz VVGFAJUPVXYMTO-RDJZCZTQSA-N 0 0 317.429 3.313 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000135031204 341229391 /nfs/dbraw/zinc/22/93/91/341229391.db2.gz QVNDAXUEFSVVAE-OAHLLOKOSA-N 0 0 322.836 3.432 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000135112134 341231284 /nfs/dbraw/zinc/23/12/84/341231284.db2.gz NLPDSHNXSBZXDZ-MEDUHNTESA-N 0 0 324.446 3.408 10 30 DGEERN Cc1nc(CN(CCC#N)Cc2ccccn2)nc2ccccc12 ZINC000081159226 341280459 /nfs/dbraw/zinc/28/04/59/341280459.db2.gz PKSSTSZOWSTLNI-UHFFFAOYSA-N 0 0 317.396 3.249 10 30 DGEERN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCCCC1 ZINC000549276056 341290317 /nfs/dbraw/zinc/29/03/17/341290317.db2.gz NZPFKFFVRLCBQM-UHFFFAOYSA-N 0 0 302.447 3.497 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC000245889830 341317472 /nfs/dbraw/zinc/31/74/72/341317472.db2.gz JHGFNCZBACQBGI-AXAPSJFSSA-N 0 0 319.430 3.197 10 30 DGEERN C=CC1CCN(C(=O)NCc2ccn(Cc3ccccc3)n2)CC1 ZINC000551264556 341335975 /nfs/dbraw/zinc/33/59/75/341335975.db2.gz ZMZREOYMVBPWEB-UHFFFAOYSA-N 0 0 324.428 3.039 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000249106472 341393941 /nfs/dbraw/zinc/39/39/41/341393941.db2.gz QNKIXZZPGXHTJX-XYJFISCASA-N 0 0 322.399 3.429 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000564887174 341512367 /nfs/dbraw/zinc/51/23/67/341512367.db2.gz DCEXZNINABEFDG-GJZGRUSLSA-N 0 0 318.417 3.333 10 30 DGEERN C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000153647568 341576296 /nfs/dbraw/zinc/57/62/96/341576296.db2.gz PNIXJSFJARNMHD-YGRLFVJLSA-N 0 0 321.218 3.046 10 30 DGEERN C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000153647469 341576358 /nfs/dbraw/zinc/57/63/58/341576358.db2.gz PNIXJSFJARNMHD-HZMBPMFUSA-N 0 0 321.218 3.046 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCSc2ccccc21 ZINC000567263857 341592115 /nfs/dbraw/zinc/59/21/15/341592115.db2.gz TZXJBOVGEVFUBN-QEJZJMRPSA-N 0 0 318.442 3.114 10 30 DGEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCO1 ZINC000155878981 341614208 /nfs/dbraw/zinc/61/42/08/341614208.db2.gz VVPYOIKREXTSKM-UHFFFAOYSA-N 0 0 301.264 3.048 10 30 DGEERN C=CCN(Cc1cc(OC)c(OC)cc1F)CC(F)(F)F ZINC000568031158 341646869 /nfs/dbraw/zinc/64/68/69/341646869.db2.gz PJMWVRRXEDYMMS-UHFFFAOYSA-N 0 0 307.287 3.393 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 ZINC000569119215 341691423 /nfs/dbraw/zinc/69/14/23/341691423.db2.gz ZGOPQWYFXYTJTG-WIEQDCTASA-N 0 0 314.495 3.112 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000576150336 341829696 /nfs/dbraw/zinc/82/96/96/341829696.db2.gz NWRDHTXEQUEHLL-RDJZCZTQSA-N 0 0 324.380 3.195 10 30 DGEERN C=CCSCCN1C(=O)[C@@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000349304310 341968838 /nfs/dbraw/zinc/96/88/38/341968838.db2.gz YTSUYRZPKORSKQ-GJZGRUSLSA-N 0 0 322.474 3.139 10 30 DGEERN C=CCSCCN1C(=O)[C@@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000349304309 341968879 /nfs/dbraw/zinc/96/88/79/341968879.db2.gz YTSUYRZPKORSKQ-CABCVRRESA-N 0 0 322.474 3.139 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000188052650 500581774 /nfs/dbraw/zinc/58/17/74/500581774.db2.gz XOXCXSLEMKGBOO-FZKQIMNGSA-N 0 0 321.417 3.110 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000177583507 533739243 /nfs/dbraw/zinc/73/92/43/533739243.db2.gz PWUDTGODLFCVBB-HOTGVXAUSA-N 0 0 310.328 3.448 10 30 DGEERN CSC[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180548170 533748205 /nfs/dbraw/zinc/74/82/05/533748205.db2.gz CNAGBYYPKQRPSL-HNNXBMFYSA-N 0 0 300.427 3.209 10 30 DGEERN Cc1ccc(CC(=O)Nc2ncccc2OCCCC#N)s1 ZINC000171056940 533758164 /nfs/dbraw/zinc/75/81/64/533758164.db2.gz OCPUUJGNQNRIER-UHFFFAOYSA-N 0 0 315.398 3.315 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)c1ccc(C#N)cc1C ZINC000178592532 533859309 /nfs/dbraw/zinc/85/93/09/533859309.db2.gz BDUPGTLHBBIAIN-UHFFFAOYSA-N 0 0 314.772 3.459 10 30 DGEERN COc1ccc(N(C(=O)c2cc(C#N)cn2C)[C@@H](C)C2CC2)cc1 ZINC000176978289 533972687 /nfs/dbraw/zinc/97/26/87/533972687.db2.gz RRLHJCHXPKCWQH-ZDUSSCGKSA-N 0 0 323.396 3.351 10 30 DGEERN Cc1cc(Nc2ncc(C#N)cc2Cl)ccc1OCCO ZINC000302214424 534004758 /nfs/dbraw/zinc/00/47/58/534004758.db2.gz ZQQJXZCWOSCEBF-UHFFFAOYSA-N 0 0 303.749 3.030 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000172977108 534153862 /nfs/dbraw/zinc/15/38/62/534153862.db2.gz ZJDUCFADAGTDLX-HNNXBMFYSA-N 0 0 300.402 3.182 10 30 DGEERN COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)c(F)c1 ZINC000178684202 534222180 /nfs/dbraw/zinc/22/21/80/534222180.db2.gz HFMLLADGNNSRRZ-UHFFFAOYSA-N 0 0 312.300 3.045 10 30 DGEERN COC(=O)[C@@H](NCC1CCC(C#N)CC1)c1ccccc1Cl ZINC000442111114 534277142 /nfs/dbraw/zinc/27/71/42/534277142.db2.gz FSILZXUZJBJAKL-ZUEPYMLJSA-N 0 0 320.820 3.474 10 30 DGEERN O=C(C[C@H]1CCCCC(=O)N1)Nc1nc2c(s1)COCC2 ZINC000328649745 534339504 /nfs/dbraw/zinc/33/95/04/534339504.db2.gz IUWRJVHWDYKRCI-SECBINFHSA-N 0 0 309.391 3.093 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCC(C(F)F)CC1 ZINC000458733729 534350170 /nfs/dbraw/zinc/35/01/70/534350170.db2.gz MIRIOYKVPJVOJN-FKZOYECMSA-N 0 0 316.392 3.091 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000466386770 534367939 /nfs/dbraw/zinc/36/79/39/534367939.db2.gz SBWCGRHLJNAMBB-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000456003327 534405974 /nfs/dbraw/zinc/40/59/74/534405974.db2.gz IQZKQOSUNXAMOD-GXFFZTMASA-N 0 0 301.308 3.019 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000452772428 534517379 /nfs/dbraw/zinc/51/73/79/534517379.db2.gz FECPRNLDZDPTCK-QGZVFWFLSA-N 0 0 317.429 3.252 10 30 DGEERN Cc1cnc(CCN(C)c2nc3c(cc2C#N)CCCC3)s1 ZINC000301911886 534545551 /nfs/dbraw/zinc/54/55/51/534545551.db2.gz GRJDBIJHNQMOQQ-UHFFFAOYSA-N 0 0 312.442 3.276 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000494880521 534548534 /nfs/dbraw/zinc/54/85/34/534548534.db2.gz SLBCNRUYFOVLLV-CYBMUJFWSA-N 0 0 310.344 3.094 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455634200 534550670 /nfs/dbraw/zinc/55/06/70/534550670.db2.gz HJMGGLLWWKOOQN-NXEZZACHSA-N 0 0 319.352 3.497 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000494214140 534550848 /nfs/dbraw/zinc/55/08/48/534550848.db2.gz YLBGSXBQXHXDPZ-TZMCWYRMSA-N 0 0 302.374 3.226 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000488859104 534555185 /nfs/dbraw/zinc/55/51/85/534555185.db2.gz PKRNUODDFRKVDB-IAOVAPTHSA-N 0 0 312.413 3.462 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000488875478 534555628 /nfs/dbraw/zinc/55/56/28/534555628.db2.gz GKAFOAPWGUHVLH-CYBMUJFWSA-N 0 0 316.376 3.133 10 30 DGEERN Cc1nc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)sc1C ZINC000329724102 534556491 /nfs/dbraw/zinc/55/64/91/534556491.db2.gz FUPCLMDRVULAOH-KGLIPLIRSA-N 0 0 323.462 3.032 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000488810659 534556681 /nfs/dbraw/zinc/55/66/81/534556681.db2.gz BLTFCAWRQSVFOT-LLVKDONJSA-N 0 0 314.307 3.203 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccccc1OCCOCC ZINC000488860375 534556987 /nfs/dbraw/zinc/55/69/87/534556987.db2.gz UACCJXFXRLXXIX-OAHLLOKOSA-N 0 0 303.402 3.283 10 30 DGEERN N#CC1(c2ccc(C(=O)N(CC(F)(F)F)C3CC3)cc2)CC1 ZINC000179937315 534573720 /nfs/dbraw/zinc/57/37/20/534573720.db2.gz LCDYOQZBOQZGLK-UHFFFAOYSA-N 0 0 308.303 3.409 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000455410744 534598078 /nfs/dbraw/zinc/59/80/78/534598078.db2.gz MIEVYTZDLBTARN-HONMWMINSA-N 0 0 310.344 3.011 10 30 DGEERN N#CCCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000170886251 534598680 /nfs/dbraw/zinc/59/86/80/534598680.db2.gz ZXBIPJZVMONWGL-HNNXBMFYSA-N 0 0 321.808 3.117 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000455405331 534600786 /nfs/dbraw/zinc/60/07/86/534600786.db2.gz KMFPZHDQFXXDBI-BMFZPTHFSA-N 0 0 320.820 3.182 10 30 DGEERN N#CCCN(CC(F)(F)F)C(=O)c1cccc2ncccc21 ZINC000177614285 534636303 /nfs/dbraw/zinc/63/63/03/534636303.db2.gz VTYLPQDMRWNCLB-UHFFFAOYSA-N 0 0 307.275 3.153 10 30 DGEERN C=CCCCNC(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC000454885891 534728052 /nfs/dbraw/zinc/72/80/52/534728052.db2.gz CCZBQBJCFFIPEN-UHFFFAOYSA-N 0 0 318.808 3.291 10 30 DGEERN N#CCc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000176871920 534729884 /nfs/dbraw/zinc/72/98/84/534729884.db2.gz GPPNGDPWIRJYSA-MRXNPFEDSA-N 0 0 312.394 3.028 10 30 DGEERN C=CCCCS(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000452041986 534740871 /nfs/dbraw/zinc/74/08/71/534740871.db2.gz NEJLUPLREAVAHK-HNNXBMFYSA-N 0 0 315.385 3.398 10 30 DGEERN N#Cc1ccnc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000436007053 534824570 /nfs/dbraw/zinc/82/45/70/534824570.db2.gz WDPQLWDYBWQPHT-UHFFFAOYSA-N 0 0 319.320 3.378 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)Cc1ccc2c(c1)NCC2 ZINC000449107870 534837862 /nfs/dbraw/zinc/83/78/62/534837862.db2.gz OOYNARWAXDFXNL-UHFFFAOYSA-N 0 0 320.436 3.454 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000495247349 534840267 /nfs/dbraw/zinc/84/02/67/534840267.db2.gz NCASMEQCJHJLQV-OAHLLOKOSA-N 0 0 318.373 3.067 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1ccc(OC(C)C)cn1 ZINC000346538493 526322772 /nfs/dbraw/zinc/32/27/72/526322772.db2.gz SUMJOGIRJZWIPM-UHFFFAOYSA-N 0 0 314.385 3.333 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176947322 526348014 /nfs/dbraw/zinc/34/80/14/526348014.db2.gz KNQHCMPVXRQGFQ-JKSUJKDBSA-N 0 0 300.358 3.156 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(C)c1 ZINC000172901577 526349691 /nfs/dbraw/zinc/34/96/91/526349691.db2.gz VYKWPFXBUIMYMX-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(OC)c1 ZINC000342861637 526349886 /nfs/dbraw/zinc/34/98/86/526349886.db2.gz YOZPUGGKOLNQAL-UHFFFAOYSA-N 0 0 313.357 3.187 10 30 DGEERN C=CCN(Cc1ccccc1)c1ncncc1Br ZINC000351885982 526357938 /nfs/dbraw/zinc/35/79/38/526357938.db2.gz IBCMJWFLJJYRFL-UHFFFAOYSA-N 0 0 304.191 3.432 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cnn(C)c1SC ZINC000357783127 526375708 /nfs/dbraw/zinc/37/57/08/526375708.db2.gz XFWJGSFDPRSTEN-UHFFFAOYSA-N 0 0 307.444 3.032 10 30 DGEERN C=CCN(Cc1nc(-c2ccoc2)no1)Cc1cccc(C#N)c1 ZINC000357272770 526380395 /nfs/dbraw/zinc/38/03/95/526380395.db2.gz VGAAKKQDBMEHEV-UHFFFAOYSA-N 0 0 320.352 3.389 10 30 DGEERN C=CCN(Cc1nnc(C2CCC2)n1C)Cc1cccc(C#N)c1 ZINC000181152585 526383228 /nfs/dbraw/zinc/38/32/28/526383228.db2.gz GSSSEGVGKVSASD-UHFFFAOYSA-N 0 0 321.428 3.142 10 30 DGEERN C=CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1CC)C1CC1 ZINC000358594208 526386341 /nfs/dbraw/zinc/38/63/41/526386341.db2.gz KTPCIWGIDRTAGZ-INIZCTEOSA-N 0 0 310.401 3.129 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000424727145 526435511 /nfs/dbraw/zinc/43/55/11/526435511.db2.gz YLOIOPMSEQYJCQ-LBPRGKRZSA-N 0 0 307.825 3.032 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1c2c(ccc1Cl)OCC2 ZINC000359614570 526526653 /nfs/dbraw/zinc/52/66/53/526526653.db2.gz BGPQOGAWNCGJMT-UHFFFAOYSA-N 0 0 308.809 3.111 10 30 DGEERN C=C(C)CN(CC)C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184703515 526532015 /nfs/dbraw/zinc/53/20/15/526532015.db2.gz RJAVXALGHLHSFN-UHFFFAOYSA-N 0 0 310.401 3.251 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000424128851 526544157 /nfs/dbraw/zinc/54/41/57/526544157.db2.gz RLMSAJSKUFZSGO-ZDUSSCGKSA-N 0 0 313.401 3.165 10 30 DGEERN C=C(C)CN(CC)c1nnc(-c2ccoc2)n1C[C@H]1CCCO1 ZINC000359515524 526550573 /nfs/dbraw/zinc/55/05/73/526550573.db2.gz YVFFAAMAPRAJFM-OAHLLOKOSA-N 0 0 316.405 3.120 10 30 DGEERN CC(C)(C)SCC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183945933 526601757 /nfs/dbraw/zinc/60/17/57/526601757.db2.gz UIACMDDKNGILCJ-QGZVFWFLSA-N 0 0 302.443 3.086 10 30 DGEERN C=C(C)CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000428107072 526619922 /nfs/dbraw/zinc/61/99/22/526619922.db2.gz MNHRLIKGWAWBSO-OAHLLOKOSA-N 0 0 301.434 3.186 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C(C)C)C2)cc1 ZINC000446825481 526647557 /nfs/dbraw/zinc/64/75/57/526647557.db2.gz ZSXHDICKMHMFQY-OAHLLOKOSA-N 0 0 315.417 3.112 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000287620673 526670850 /nfs/dbraw/zinc/67/08/50/526670850.db2.gz YVSZJXFOPJOTOB-UHFFFAOYSA-N 0 0 311.400 3.270 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000376993598 526674772 /nfs/dbraw/zinc/67/47/72/526674772.db2.gz PYAHZMKKXGGERT-SFHVURJKSA-N 0 0 323.440 3.155 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC000287453516 526675102 /nfs/dbraw/zinc/67/51/02/526675102.db2.gz GPNNNTQIMJSGIP-UHFFFAOYSA-N 0 0 310.397 3.335 10 30 DGEERN C=CCNc1nnc(Sc2cc(C)nc(C)c2C#N)s1 ZINC000301774934 526683777 /nfs/dbraw/zinc/68/37/77/526683777.db2.gz KUHZUUQGNWSMIU-UHFFFAOYSA-N 0 0 303.416 3.171 10 30 DGEERN C#CCCCCC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000180532994 526687093 /nfs/dbraw/zinc/68/70/93/526687093.db2.gz JNLMBQHJNCWZJG-QGZVFWFLSA-N 0 0 303.377 3.228 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000184970174 526692359 /nfs/dbraw/zinc/69/23/59/526692359.db2.gz XMUDHZAYMVIPPU-CQSZACIVSA-N 0 0 318.417 3.085 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000183736130 526694804 /nfs/dbraw/zinc/69/48/04/526694804.db2.gz JLRXAUFVOOUMCA-HUUCEWRRSA-N 0 0 304.438 3.167 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000184954781 526696944 /nfs/dbraw/zinc/69/69/44/526696944.db2.gz GHAVEYSZSNVJBX-CYBMUJFWSA-N 0 0 303.402 3.191 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1c2cc(CC)ccc2NC1=O ZINC000343605964 526697534 /nfs/dbraw/zinc/69/75/34/526697534.db2.gz QFMSVCLFOOXDQE-UKRRQHHQSA-N 0 0 314.429 3.393 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120904112 526698902 /nfs/dbraw/zinc/69/89/02/526698902.db2.gz MFUHMFQSLJRUKG-MRXNPFEDSA-N 0 0 320.820 3.306 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000185841665 526699412 /nfs/dbraw/zinc/69/94/12/526699412.db2.gz WXCTWHBNYNYJCG-WBVHZDCISA-N 0 0 317.429 3.381 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000185329900 526699621 /nfs/dbraw/zinc/69/96/21/526699621.db2.gz MSBOLCONYUTUTQ-CQSZACIVSA-N 0 0 317.433 3.435 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000343973060 526702324 /nfs/dbraw/zinc/70/23/24/526702324.db2.gz XRDLGGJDHASEKQ-ZBFHGGJFSA-N 0 0 306.450 3.029 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000185491125 526702532 /nfs/dbraw/zinc/70/25/32/526702532.db2.gz AEUWQZFHQSJEFG-GFCCVEGCSA-N 0 0 311.385 3.286 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000185674512 526703524 /nfs/dbraw/zinc/70/35/24/526703524.db2.gz HHFKFXQWQYUIRW-GFCCVEGCSA-N 0 0 314.345 3.321 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000351634342 526703904 /nfs/dbraw/zinc/70/39/04/526703904.db2.gz QPYWWGLNFHAHPR-SNVBAGLBSA-N 0 0 315.822 3.284 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000185316422 526704986 /nfs/dbraw/zinc/70/49/86/526704986.db2.gz QZEZHRXXHFDXAT-LBPRGKRZSA-N 0 0 308.809 3.339 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000185238294 526707258 /nfs/dbraw/zinc/70/72/58/526707258.db2.gz OTBRFOJRXXKVPO-INIZCTEOSA-N 0 0 316.445 3.336 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000185811982 526708538 /nfs/dbraw/zinc/70/85/38/526708538.db2.gz UFNSBJULHVUXKD-KKUMJFAQSA-N 0 0 323.458 3.001 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCc2c(cccc2NC(C)=O)C1 ZINC000185241824 526709942 /nfs/dbraw/zinc/70/99/42/526709942.db2.gz CHSQUPGQSLQNMG-ZDUSSCGKSA-N 0 0 300.402 3.132 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000362146540 526712807 /nfs/dbraw/zinc/71/28/07/526712807.db2.gz MYKWLOJYGRFFMV-DZGCQCFKSA-N 0 0 300.406 3.145 10 30 DGEERN C#CCCCNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000180854296 526713555 /nfs/dbraw/zinc/71/35/55/526713555.db2.gz NMQUCICYXHLPHU-AWEZNQCLSA-N 0 0 306.793 3.266 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433970752 526715016 /nfs/dbraw/zinc/71/50/16/526715016.db2.gz HJDNZLVNIULURQ-LBPRGKRZSA-N 0 0 304.390 3.114 10 30 DGEERN C=CCOCC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000354240157 526717873 /nfs/dbraw/zinc/71/78/73/526717873.db2.gz SZRCDWAJVSEVBE-LBPRGKRZSA-N 0 0 300.185 3.300 10 30 DGEERN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C)CC1 ZINC000359245183 526719039 /nfs/dbraw/zinc/71/90/39/526719039.db2.gz RQUWZFHCNNWKLK-OAHLLOKOSA-N 0 0 313.449 3.486 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@H](OC)C1 ZINC000338805230 526728561 /nfs/dbraw/zinc/72/85/61/526728561.db2.gz KMZFRNAUAYIDJF-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCOCCCC(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000412792705 526728990 /nfs/dbraw/zinc/72/89/90/526728990.db2.gz JUSZSXDEOSLVCD-UHFFFAOYSA-N 0 0 301.430 3.405 10 30 DGEERN C=CCOCCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000173623303 526736190 /nfs/dbraw/zinc/73/61/90/526736190.db2.gz RYOXPODXVWDYDQ-RDJZCZTQSA-N 0 0 317.429 3.382 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000346114601 526763482 /nfs/dbraw/zinc/76/34/82/526763482.db2.gz CBDYQZIEDOCZFA-PJODQICGSA-N 0 0 309.356 3.166 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccc(OCC)c1 ZINC000345711688 526763866 /nfs/dbraw/zinc/76/38/66/526763866.db2.gz FUNKZPZGDBUDNP-COXVUDFISA-N 0 0 303.402 3.244 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC000331249176 526765937 /nfs/dbraw/zinc/76/59/37/526765937.db2.gz VFHMAKQCMLGCQB-HIFRSBDPSA-N 0 0 306.406 3.467 10 30 DGEERN C=CCOCCCc1nc(-c2cccnc2OC(C)C)no1 ZINC000349785524 526766192 /nfs/dbraw/zinc/76/61/92/526766192.db2.gz OZWZWUIIUZLLRA-UHFFFAOYSA-N 0 0 303.362 3.054 10 30 DGEERN C=CCOCCN(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000339041981 526769236 /nfs/dbraw/zinc/76/92/36/526769236.db2.gz DGMQQQXMPPKQNV-UHFFFAOYSA-N 0 0 311.429 3.298 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCc1cccc(F)c1 ZINC000437700757 526831552 /nfs/dbraw/zinc/83/15/52/526831552.db2.gz CUYOJYXWMUCLQR-NVXWUHKLSA-N 0 0 320.408 3.039 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC(C)=C[C@@H](C)C2)cc1OC ZINC000435270468 526836042 /nfs/dbraw/zinc/83/60/42/526836042.db2.gz SAZRWLQRDKWAEP-CYBMUJFWSA-N 0 0 301.386 3.298 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000347148837 526836146 /nfs/dbraw/zinc/83/61/46/526836146.db2.gz XEPAYKUHUVKZKU-UKRRQHHQSA-N 0 0 311.784 3.419 10 30 DGEERN C=CCOc1ccc(C(=O)N(C[C@@H](C)OC)C(C)C)cc1OC ZINC000354474994 526836667 /nfs/dbraw/zinc/83/66/67/526836667.db2.gz QRROMOJORWWNPI-CQSZACIVSA-N 0 0 321.417 3.146 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC(OC)(c3ccccc3)C2)cc1 ZINC000344090183 526838199 /nfs/dbraw/zinc/83/81/99/526838199.db2.gz BKBXQFFRUDNOSW-UHFFFAOYSA-N 0 0 323.392 3.249 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCCOCc1ccccc1 ZINC000345811651 526840355 /nfs/dbraw/zinc/84/03/55/526840355.db2.gz LWKLLCSDVHGYPZ-QZTJIDSGSA-N 0 0 317.429 3.081 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H]2CC23CCCC3)cc1OC ZINC000430215645 526851534 /nfs/dbraw/zinc/85/15/34/526851534.db2.gz FJKLJRYMABSHRY-INIZCTEOSA-N 0 0 301.386 3.323 10 30 DGEERN C=C(CNC(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000358586442 526867278 /nfs/dbraw/zinc/86/72/78/526867278.db2.gz JQAXSOAHBSOZTK-LJQANCHMSA-N 0 0 314.429 3.302 10 30 DGEERN C=C(CNC(=O)N[C@H](C)c1ccncc1OC)c1ccccc1 ZINC000355373477 526875267 /nfs/dbraw/zinc/87/52/67/526875267.db2.gz GMHXIVXQZIBQNL-CQSZACIVSA-N 0 0 311.385 3.164 10 30 DGEERN C=CCOc1ccc(CNC(=O)NC[C@H]2CCC(C)(C)O2)cc1 ZINC000345966626 526878895 /nfs/dbraw/zinc/87/88/95/526878895.db2.gz VEPCKGLVKVZXDC-MRXNPFEDSA-N 0 0 318.417 3.008 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])cc1OC ZINC000426832759 526890816 /nfs/dbraw/zinc/89/08/16/526890816.db2.gz KATWUQWZYOPMAT-CQSZACIVSA-N 0 0 321.417 3.239 10 30 DGEERN C=C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CC)CC1 ZINC000338601870 526908922 /nfs/dbraw/zinc/90/89/22/526908922.db2.gz LLNZKIZUUUYHBZ-INIZCTEOSA-N 0 0 310.401 3.131 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@]3(C2)CCCOC3)c1 ZINC000375408202 526913576 /nfs/dbraw/zinc/91/35/76/526913576.db2.gz CBGLSJDLRPYDOD-SFHVURJKSA-N 0 0 316.401 3.286 10 30 DGEERN C=CCOc1ccccc1-c1nc([C@@H]2CCOC[C@H]2C)no1 ZINC000347237409 526922474 /nfs/dbraw/zinc/92/24/74/526922474.db2.gz QQNNVZWJTPGXEF-CHWSQXEVSA-N 0 0 300.358 3.441 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@H]1COc2ccccc21 ZINC000111481582 526944276 /nfs/dbraw/zinc/94/42/76/526944276.db2.gz YGEIIKYSNFYAPZ-INIZCTEOSA-N 0 0 324.380 3.184 10 30 DGEERN C=CCOc1ccccc1CNc1cccc(-n2ccnn2)c1 ZINC000136825721 526952512 /nfs/dbraw/zinc/95/25/12/526952512.db2.gz ZMNLVWWWOVOFKN-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN C=CCOc1cccnc1C(=O)N(CCC)C[C@@H]1CCCCO1 ZINC000341932240 526954901 /nfs/dbraw/zinc/95/49/01/526954901.db2.gz MBLDNJLNTJXDBT-HNNXBMFYSA-N 0 0 318.417 3.068 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000341546299 526968125 /nfs/dbraw/zinc/96/81/25/526968125.db2.gz MKLRIHIUCLDRMZ-HNNXBMFYSA-N 0 0 324.380 3.127 10 30 DGEERN C=CCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000433113159 526991802 /nfs/dbraw/zinc/99/18/02/526991802.db2.gz KQHAZQMQEDHTAX-INIZCTEOSA-N 0 0 317.429 3.127 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000362963369 527008607 /nfs/dbraw/zinc/00/86/07/527008607.db2.gz LNMHNGLVEQUGHC-CYBMUJFWSA-N 0 0 305.443 3.198 10 30 DGEERN C=CC[C@@H](C(=O)NCC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC000347539742 527016682 /nfs/dbraw/zinc/01/66/82/527016682.db2.gz SYRMGKMJHBWYDV-KGLIPLIRSA-N 0 0 315.335 3.430 10 30 DGEERN C=CCC(C)(C)c1noc(CCc2cccc(C(=O)NC)c2)n1 ZINC000340818681 527020773 /nfs/dbraw/zinc/02/07/73/527020773.db2.gz JJJYLRJIORMKOO-UHFFFAOYSA-N 0 0 313.401 3.068 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360556460 527024299 /nfs/dbraw/zinc/02/42/99/527024299.db2.gz JZICQPXBSPTRJM-SFHVURJKSA-N 0 0 315.413 3.061 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000343927135 527032175 /nfs/dbraw/zinc/03/21/75/527032175.db2.gz BBHQNVOKNFFOJJ-INIZCTEOSA-N 0 0 312.417 3.311 10 30 DGEERN C=CCC(F)(F)c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000340592386 527037493 /nfs/dbraw/zinc/03/74/93/527037493.db2.gz RAROEFCHTYPRCX-UHFFFAOYSA-N 0 0 306.316 3.400 10 30 DGEERN C=CC[C@@H](CC)NC(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000337088473 527037786 /nfs/dbraw/zinc/03/77/86/527037786.db2.gz HHDHCHXXJOLHHM-CQSZACIVSA-N 0 0 319.401 3.138 10 30 DGEERN C=CCC(F)(F)c1nc(CCn2cnc3ccccc32)no1 ZINC000340558832 527039362 /nfs/dbraw/zinc/03/93/62/527039362.db2.gz AQSIUDHPVUYOLB-UHFFFAOYSA-N 0 0 304.300 3.330 10 30 DGEERN C=CCC1(C(=O)NCCOc2c(C)cccc2C)CCOCC1 ZINC000424588311 527052747 /nfs/dbraw/zinc/05/27/47/527052747.db2.gz ILNZHKXEIISTQP-UHFFFAOYSA-N 0 0 317.429 3.171 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000334004296 527053956 /nfs/dbraw/zinc/05/39/56/527053956.db2.gz REYRCCGZAVTPDF-CHWSQXEVSA-N 0 0 308.447 3.430 10 30 DGEERN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000160944792 527082687 /nfs/dbraw/zinc/08/26/87/527082687.db2.gz APVRTFMQXRQUPO-ZDUSSCGKSA-N 0 0 321.380 3.316 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000337043366 527086360 /nfs/dbraw/zinc/08/63/60/527086360.db2.gz CTXULWJUXNIQSJ-JTQLQIEISA-N 0 0 314.212 3.078 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000347749999 527094708 /nfs/dbraw/zinc/09/47/08/527094708.db2.gz JMAUMMYOEIPBCI-MNOVXSKESA-N 0 0 316.323 3.003 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000337080912 527097043 /nfs/dbraw/zinc/09/70/43/527097043.db2.gz VWROEUFCDFNTIC-HOCLYGCPSA-N 0 0 305.418 3.021 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000337051321 527099333 /nfs/dbraw/zinc/09/93/33/527099333.db2.gz JQGHKPSGBRNAIS-AWEZNQCLSA-N 0 0 317.335 3.299 10 30 DGEERN C=CC[C@@H]1N(C(=O)COCc2cc(C)no2)CCCC1(C)C ZINC000338034671 527115433 /nfs/dbraw/zinc/11/54/33/527115433.db2.gz HBKRDIPIXNSTJD-HNNXBMFYSA-N 0 0 306.406 3.093 10 30 DGEERN C=CC[C@@H]1N(C(=O)Nc2cnc(N(C)C)nc2)CCCC1(C)C ZINC000444912865 527116562 /nfs/dbraw/zinc/11/65/62/527116562.db2.gz NSPDEVSKBJMXQS-AWEZNQCLSA-N 0 0 317.437 3.141 10 30 DGEERN C=CC[C@H](C(=O)NCC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC000347539741 527122225 /nfs/dbraw/zinc/12/22/25/527122225.db2.gz SYRMGKMJHBWYDV-KBPBESRZSA-N 0 0 315.335 3.430 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330826296 527142830 /nfs/dbraw/zinc/14/28/30/527142830.db2.gz RJNRJCDKHOQZNA-GJZGRUSLSA-N 0 0 304.438 3.180 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344596640 527158349 /nfs/dbraw/zinc/15/83/49/527158349.db2.gz HZZAKPALTXTWOK-NSHDSACASA-N 0 0 315.373 3.431 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000367338939 527170873 /nfs/dbraw/zinc/17/08/73/527170873.db2.gz GXKMDVYCPZGBEY-ZZJWQFMZSA-N 0 0 323.436 3.133 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000376539185 527172430 /nfs/dbraw/zinc/17/24/30/527172430.db2.gz HJTVIVGNVQMSBU-QZTJIDSGSA-N 0 0 322.408 3.413 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(COC)cc1 ZINC000285649238 527173762 /nfs/dbraw/zinc/17/37/62/527173762.db2.gz DPSIOSDAOTYTNP-LJQANCHMSA-N 0 0 307.393 3.197 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000342214516 527184603 /nfs/dbraw/zinc/18/46/03/527184603.db2.gz RRAONLXSIACQDL-ZDUSSCGKSA-N 0 0 316.426 3.033 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000293426307 527186015 /nfs/dbraw/zinc/18/60/15/527186015.db2.gz OAEOWOBKWMZDHU-AWEZNQCLSA-N 0 0 305.397 3.012 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000133150052 527188303 /nfs/dbraw/zinc/18/83/03/527188303.db2.gz BLFZTVDKCUYKCX-UHFFFAOYSA-N 0 0 301.390 3.009 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160422084 527188311 /nfs/dbraw/zinc/18/83/11/527188311.db2.gz HVPQPUWOKLYXCK-MRXNPFEDSA-N 0 0 304.390 3.284 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000076489716 527189276 /nfs/dbraw/zinc/18/92/76/527189276.db2.gz SEHVMSXJNRNRBI-QGZVFWFLSA-N 0 0 316.445 3.174 10 30 DGEERN C=CC[C@H](CO)NC(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC000185694563 527191714 /nfs/dbraw/zinc/19/17/14/527191714.db2.gz QKTOHMYBJLURQD-LMMOQWNQSA-N 0 0 313.319 3.162 10 30 DGEERN C=CCCCN(C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000132614657 527193063 /nfs/dbraw/zinc/19/30/63/527193063.db2.gz HYYUJXZYOIOGFC-UHFFFAOYSA-N 0 0 322.430 3.019 10 30 DGEERN C=CCCCN(C)c1nnc([C@H](C)CC)n1C[C@@H]1CCOC1 ZINC000339161511 527195041 /nfs/dbraw/zinc/19/50/41/527195041.db2.gz FYVCZBVDVOYBSI-CABCVRRESA-N 0 0 306.454 3.231 10 30 DGEERN C=CCCCN(C)c1nnc([C@H](C)CC)n1C[C@H]1CCCO1 ZINC000339023077 527196063 /nfs/dbraw/zinc/19/60/63/527196063.db2.gz IFYWFVVPCQRNNX-HUUCEWRRSA-N 0 0 306.454 3.373 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000183151034 527198813 /nfs/dbraw/zinc/19/88/13/527198813.db2.gz AIYFBKVQLHHTEK-QWHCGFSZSA-N 0 0 302.374 3.038 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000185221338 527204542 /nfs/dbraw/zinc/20/45/42/527204542.db2.gz DMCDCAYEFXCRND-QWHCGFSZSA-N 0 0 319.430 3.139 10 30 DGEERN C=CCCCNC(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000448250877 527215871 /nfs/dbraw/zinc/21/58/71/527215871.db2.gz YWNLKXPDUXXDHI-UHFFFAOYSA-N 0 0 303.362 3.259 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC1(C)C ZINC000413577801 527220332 /nfs/dbraw/zinc/22/03/32/527220332.db2.gz IXDCTQSMAIEREI-CVEARBPZSA-N 0 0 302.418 3.041 10 30 DGEERN C=CCCCNC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000344465253 527225996 /nfs/dbraw/zinc/22/59/96/527225996.db2.gz YVONQUZBKNCQMF-QGZVFWFLSA-N 0 0 303.402 3.006 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000302091484 527231748 /nfs/dbraw/zinc/23/17/48/527231748.db2.gz HBLYVJPWSRCSKO-NSHDSACASA-N 0 0 310.401 3.154 10 30 DGEERN C=CCc1ccc(OCC(=O)NCCC2(F)CCC2)c(OC)c1 ZINC000345710701 527250844 /nfs/dbraw/zinc/25/08/44/527250844.db2.gz KXNBFFRGMLESJV-UHFFFAOYSA-N 0 0 321.392 3.201 10 30 DGEERN C=CCc1ccc(OCc2nnc(C3CCC3)n2C)c(OC)c1 ZINC000181438916 527256627 /nfs/dbraw/zinc/25/66/27/527256627.db2.gz JTCAVSKSSWICES-UHFFFAOYSA-N 0 0 313.401 3.399 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCC#CC ZINC000355109881 527256958 /nfs/dbraw/zinc/25/69/58/527256958.db2.gz FUYGGFXJFYEQMZ-UHFFFAOYSA-N 0 0 312.413 3.007 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000341353899 527259589 /nfs/dbraw/zinc/25/95/89/527259589.db2.gz IYTUQEDKPKMEOH-CYBMUJFWSA-N 0 0 323.400 3.201 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)CCOc1ccccc1 ZINC000337853942 527279064 /nfs/dbraw/zinc/27/90/64/527279064.db2.gz KNVARINQCARGCS-UHFFFAOYSA-N 0 0 324.384 3.239 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000351170023 527281060 /nfs/dbraw/zinc/28/10/60/527281060.db2.gz RVHGUEFSYNGYJO-NWDGAFQWSA-N 0 0 304.419 3.054 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H]1C(C)C ZINC000350740670 527282217 /nfs/dbraw/zinc/28/22/17/527282217.db2.gz GDLBMPPTSRONCZ-HNNXBMFYSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000433926820 527285669 /nfs/dbraw/zinc/28/56/69/527285669.db2.gz NKKKLHLPGGWEAA-YNEHKIRRSA-N 0 0 322.371 3.076 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000433926817 527287035 /nfs/dbraw/zinc/28/70/35/527287035.db2.gz NKKKLHLPGGWEAA-AVGNSLFASA-N 0 0 322.371 3.076 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000342963809 527290916 /nfs/dbraw/zinc/29/09/16/527290916.db2.gz GOAUSYYSPVDTPY-ZDUSSCGKSA-N 0 0 300.406 3.415 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCc2cccc(F)c2C1 ZINC000351072611 527292541 /nfs/dbraw/zinc/29/25/41/527292541.db2.gz ILNJEWVMUVHKQK-UHFFFAOYSA-N 0 0 300.381 3.289 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCO[C@H](C2CCCCC2)C1 ZINC000337876926 527306769 /nfs/dbraw/zinc/30/67/69/527306769.db2.gz ZMAFWBVGXCNBGA-INIZCTEOSA-N 0 0 316.449 3.127 10 30 DGEERN C=CCCN(C)C(=O)Cc1cc(Br)ccc1OC ZINC000341988822 527309122 /nfs/dbraw/zinc/30/91/22/527309122.db2.gz YTNGEYDQQPFZQZ-UHFFFAOYSA-N 0 0 312.207 3.035 10 30 DGEERN C=CCCN(C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433642063 527310355 /nfs/dbraw/zinc/31/03/55/527310355.db2.gz LIKWMIRXMHNGLK-LBPRGKRZSA-N 0 0 304.287 3.489 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CCCC[C@H](CCOC)C1 ZINC000351121433 527313850 /nfs/dbraw/zinc/31/38/50/527313850.db2.gz ZMFFZVRUVNSYJG-MRXNPFEDSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC000337871814 527316611 /nfs/dbraw/zinc/31/66/11/527316611.db2.gz VRJYTUKSEUDFJN-CQSZACIVSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCCN(C)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000341986162 527317359 /nfs/dbraw/zinc/31/73/59/527317359.db2.gz SKLBNZFMPRBSBK-UHFFFAOYSA-N 0 0 303.402 3.030 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000350741385 527320940 /nfs/dbraw/zinc/32/09/40/527320940.db2.gz OOHUYZKVUJNGAF-CABCVRRESA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(N2CCCC2)nnc1C(F)(F)Oc1ccccc1 ZINC000337869024 527330624 /nfs/dbraw/zinc/33/06/24/527330624.db2.gz STXUOBDEKBWELC-UHFFFAOYSA-N 0 0 320.343 3.193 10 30 DGEERN C=CCn1c(SC[C@@H](O)CC2CCCC2)nnc1C1CC1 ZINC000191251826 527341470 /nfs/dbraw/zinc/34/14/70/527341470.db2.gz PHAUHHQYUSTCEK-AWEZNQCLSA-N 0 0 307.463 3.375 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@H]1CSC ZINC000424119872 527351424 /nfs/dbraw/zinc/35/14/24/527351424.db2.gz FLHCORQOWCDNDF-STQMWFEESA-N 0 0 324.519 3.364 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000337837392 527356730 /nfs/dbraw/zinc/35/67/30/527356730.db2.gz CUVIGKFZYKSJDA-PMPSAXMXSA-N 0 0 318.465 3.231 10 30 DGEERN C=CCCOCCNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000161324894 527358565 /nfs/dbraw/zinc/35/85/65/527358565.db2.gz IMZIVQCYOKGNHS-KRWDZBQOSA-N 0 0 314.385 3.261 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000342928397 527373893 /nfs/dbraw/zinc/37/38/93/527373893.db2.gz NLRKWAMQSMAMKJ-ZFWWWQNUSA-N 0 0 317.385 3.060 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338100750 527403060 /nfs/dbraw/zinc/40/30/60/527403060.db2.gz QRLLNNLFTYQREX-SNVBAGLBSA-N 0 0 302.296 3.329 10 30 DGEERN C=CCCO[C@H](C)c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000356031271 527405391 /nfs/dbraw/zinc/40/53/91/527405391.db2.gz GJNDPXUSPNAUHW-CYBMUJFWSA-N 0 0 314.389 3.386 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155767694 527408059 /nfs/dbraw/zinc/40/80/59/527408059.db2.gz BTAQBRJVNUXTTP-RDDDGLTNSA-N 0 0 308.250 3.442 10 30 DGEERN C=C[C@@H](CC(=O)N1CCOC[C@H]1CC(F)F)c1ccccc1 ZINC000286760417 527420824 /nfs/dbraw/zinc/42/08/24/527420824.db2.gz PMLHHFVVTFKFDK-DZGCQCFKSA-N 0 0 309.356 3.229 10 30 DGEERN C=C[C@@H](CC(=O)N[C@@H](CO)c1ccsc1)c1ccccc1 ZINC000356253556 527422704 /nfs/dbraw/zinc/42/27/04/527422704.db2.gz LDOXJOSUZTUXBU-BBRMVZONSA-N 0 0 301.411 3.258 10 30 DGEERN CC(=O)c1csc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 ZINC000359119824 527426477 /nfs/dbraw/zinc/42/64/77/527426477.db2.gz CTMPDNPFANMSAP-ZDUSSCGKSA-N 0 0 302.330 3.084 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000153249271 527457550 /nfs/dbraw/zinc/45/75/50/527457550.db2.gz TVGDOECZLCLMLF-SUMWQHHRSA-N 0 0 306.365 3.354 10 30 DGEERN CC(C)(C#N)CCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000174839112 527462507 /nfs/dbraw/zinc/46/25/07/527462507.db2.gz VRKPPGVFXJLFDP-HNNXBMFYSA-N 0 0 315.465 3.471 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412667051 527486369 /nfs/dbraw/zinc/48/63/69/527486369.db2.gz HDFCEHULFGXGDQ-KURKYZTESA-N 0 0 311.425 3.374 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1ccc(Cl)cc1 ZINC000424928658 527492481 /nfs/dbraw/zinc/49/24/81/527492481.db2.gz ABRZPLTWINCUHM-HOCLYGCPSA-N 0 0 307.821 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000424933685 527494387 /nfs/dbraw/zinc/49/43/87/527494387.db2.gz RPDQRJLEBJKPRV-ZVZYQTTQSA-N 0 0 317.429 3.286 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000425569145 527494744 /nfs/dbraw/zinc/49/47/44/527494744.db2.gz XXZVXNHQUHHUPJ-QXSJWSMHSA-N 0 0 308.466 3.434 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H](C)c1ccccc1 ZINC000425435205 527495271 /nfs/dbraw/zinc/49/52/71/527495271.db2.gz RPPJUFCXLQTALE-PVAVHDDUSA-N 0 0 302.418 3.071 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(COC(C)C)cc1 ZINC000425648485 527495846 /nfs/dbraw/zinc/49/58/46/527495846.db2.gz UPTHFCPGUYWNBL-RDJZCZTQSA-N 0 0 318.417 3.324 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2cc(F)c(Cl)cc2F)C1=O ZINC000419936509 527496730 /nfs/dbraw/zinc/49/67/30/527496730.db2.gz DONQQKVKXMSWPP-GFCCVEGCSA-N 0 0 314.719 3.005 10 30 DGEERN C=CCCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000443413498 527510804 /nfs/dbraw/zinc/51/08/04/527510804.db2.gz AGPZLQMVAAICGF-UHFFFAOYSA-N 0 0 312.394 3.478 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000346165622 527518842 /nfs/dbraw/zinc/51/88/42/527518842.db2.gz IBDYYNYVTHATKO-SFHVURJKSA-N 0 0 300.402 3.136 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000352081854 527523470 /nfs/dbraw/zinc/52/34/70/527523470.db2.gz HNWVWCJVDQIKOF-ZANVPECISA-N 0 0 312.211 3.019 10 30 DGEERN C=C[C@H](C)NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000362369936 527561846 /nfs/dbraw/zinc/56/18/46/527561846.db2.gz IQRNTDWURZUTPT-LBPRGKRZSA-N 0 0 304.390 3.016 10 30 DGEERN C=CCN(C)C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000154217272 527571304 /nfs/dbraw/zinc/57/13/04/527571304.db2.gz CZBQTTVSIPISAK-UHFFFAOYSA-N 0 0 303.387 3.153 10 30 DGEERN C=C[C@H](CC(=O)N1CCOc2nc(C)ccc21)c1ccccc1 ZINC000180444261 527573616 /nfs/dbraw/zinc/57/36/16/527573616.db2.gz IIGNRZSEPPZOPW-OAHLLOKOSA-N 0 0 308.381 3.475 10 30 DGEERN C=C[C@H](CC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000134994049 527575128 /nfs/dbraw/zinc/57/51/28/527575128.db2.gz YVNKHEUHKOLRSL-WBVHZDCISA-N 0 0 309.413 3.096 10 30 DGEERN C=CCN(C)c1nnc([C@@H]2CCCS2)n1C[C@@H]1CCCCO1 ZINC000424376692 527578722 /nfs/dbraw/zinc/57/87/22/527578722.db2.gz LGLSHFXUFYMCKN-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCN(C)c1nnc(C(F)(F)Oc2ccccc2)n1CC ZINC000338603621 527578753 /nfs/dbraw/zinc/57/87/53/527578753.db2.gz WILNGTGEZLTZGC-UHFFFAOYSA-N 0 0 308.332 3.049 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1cccc2cccnc21 ZINC000182251677 527587082 /nfs/dbraw/zinc/58/70/82/527587082.db2.gz QREIXRVBOPPHJY-UHFFFAOYSA-N 0 0 324.302 3.191 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnn1C(CC)CC ZINC000159364997 527587821 /nfs/dbraw/zinc/58/78/21/527587821.db2.gz ALGQUBLSPLJOSX-UHFFFAOYSA-N 0 0 303.328 3.435 10 30 DGEERN C=C[C@](C)(CC)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000357604941 527613182 /nfs/dbraw/zinc/61/31/82/527613182.db2.gz HGGJIMCKZJOVQE-QGZVFWFLSA-N 0 0 303.406 3.393 10 30 DGEERN CC(C)(C)CNC(=O)C(C)(C)NC(=O)Nc1ncccc1F ZINC000328591095 527619899 /nfs/dbraw/zinc/61/98/99/527619899.db2.gz BAHDGSWNRKAIKG-UHFFFAOYSA-N 0 0 310.373 3.137 10 30 DGEERN CC(C)[C@]1(C)C[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333610935 527982203 /nfs/dbraw/zinc/98/22/03/527982203.db2.gz OCRGWOLRVIYDMC-NTDBWNAOSA-N 0 0 311.429 3.370 10 30 DGEERN CCO[C@H]1C[C@@](NCCCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000444671059 528121005 /nfs/dbraw/zinc/12/10/05/528121005.db2.gz HYBDDFBPZXQPDG-KBXCAEBGSA-N 0 0 324.465 3.043 10 30 DGEERN CC(C)C[C@@H](CCO)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180605914 528288697 /nfs/dbraw/zinc/28/86/97/528288697.db2.gz LKHIJJCJPPHEPU-OAHLLOKOSA-N 0 0 314.429 3.016 10 30 DGEERN CCOc1cc(Cl)ccc1C(=O)Nc1cc(C#N)ccn1 ZINC000436016377 528293202 /nfs/dbraw/zinc/29/32/02/528293202.db2.gz QNDFVLCINZPUEX-UHFFFAOYSA-N 0 0 301.733 3.258 10 30 DGEERN CC(C)C[C@@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000441030015 528398349 /nfs/dbraw/zinc/39/83/49/528398349.db2.gz GTVAVVQABUAHGE-BHUNQDJPSA-N 0 0 321.465 3.209 10 30 DGEERN CCCCN(Cc1ccccc1F)C(=O)c1ccc(C#N)n1C ZINC000448672117 528445801 /nfs/dbraw/zinc/44/58/01/528445801.db2.gz ZOIXVEBAPZQQFA-UHFFFAOYSA-N 0 0 313.376 3.478 10 30 DGEERN CCCCOc1ncccc1CNC(=O)c1ccc(C#N)cc1C ZINC000163007060 528711413 /nfs/dbraw/zinc/71/14/13/528711413.db2.gz BCMLWXCICWUHDT-UHFFFAOYSA-N 0 0 323.396 3.371 10 30 DGEERN CCC(CC)CN(CCC#N)CC(=O)Nc1ccccc1F ZINC000173553819 528750530 /nfs/dbraw/zinc/75/05/30/528750530.db2.gz NUNRVBFSMGCIAX-UHFFFAOYSA-N 0 0 305.397 3.416 10 30 DGEERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000441013866 528826785 /nfs/dbraw/zinc/82/67/85/528826785.db2.gz OGSDCWXGVLDDCX-GQGLESIBSA-N 0 0 321.465 3.067 10 30 DGEERN CCN(Cc1ccccn1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181712267 528847390 /nfs/dbraw/zinc/84/73/90/528847390.db2.gz USQBUADXGNADJI-UHFFFAOYSA-N 0 0 305.381 3.299 10 30 DGEERN CC1(C)CN(C(=O)c2ccnc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000194343099 529108813 /nfs/dbraw/zinc/10/88/13/529108813.db2.gz HDGZRWYBCSFBNO-GFCCVEGCSA-N 0 0 311.307 3.004 10 30 DGEERN CC1(C)C[C@@H](NC(=O)NCCCCC#N)c2ccccc2O1 ZINC000177972249 529137459 /nfs/dbraw/zinc/13/74/59/529137459.db2.gz RJWVILJGGVUSSW-CQSZACIVSA-N 0 0 301.390 3.282 10 30 DGEERN CC(C)=CCC[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452538083 535363311 /nfs/dbraw/zinc/36/33/11/535363311.db2.gz BNOIDXLKVCGPDS-RDTXWAMCSA-N 0 0 322.449 3.499 10 30 DGEERN CC[C@@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(F)F ZINC000452248894 535798045 /nfs/dbraw/zinc/79/80/45/535798045.db2.gz QWTJZPWMPQYFOZ-OCCSQVGLSA-N 0 0 310.344 3.122 10 30 DGEERN COc1ccc(-c2ccnc(N3CCC(C)(C#N)CC3)n2)cc1 ZINC000450433677 536897402 /nfs/dbraw/zinc/89/74/02/536897402.db2.gz KULLDNKYQRQBAF-UHFFFAOYSA-N 0 0 308.385 3.282 10 30 DGEERN N#Cc1ccsc1C(=O)NCCCCOCc1ccccc1 ZINC000052033592 545691346 /nfs/dbraw/zinc/69/13/46/545691346.db2.gz DLPQETSYTPEJED-UHFFFAOYSA-N 0 0 314.410 3.347 10 30 DGEERN C=CCNC(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC000072486850 545710678 /nfs/dbraw/zinc/71/06/78/545710678.db2.gz MCVIRDUKKLJECI-UHFFFAOYSA-N 0 0 302.418 3.235 10 30 DGEERN C=CCNC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539964 546136510 /nfs/dbraw/zinc/13/65/10/546136510.db2.gz MEOBHTXVKHAPML-MRVPVSSYSA-N 0 0 305.180 3.085 10 30 DGEERN CC(C)N(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCOCC1 ZINC000181047268 546151534 /nfs/dbraw/zinc/15/15/34/546151534.db2.gz FRINCMCHEILYLH-UHFFFAOYSA-N 0 0 312.413 3.271 10 30 DGEERN N#Cc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000302793012 546438850 /nfs/dbraw/zinc/43/88/50/546438850.db2.gz ZXQKYSPEUYWCLS-UHFFFAOYSA-N 0 0 322.246 3.492 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)NC1CCC(C(F)(F)F)CC1 ZINC000328860513 546482247 /nfs/dbraw/zinc/48/22/47/546482247.db2.gz ZAEQYLWXXHICTO-FIYWTHMPSA-N 0 0 320.355 3.179 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1(C)CCCC1)C2 ZINC000329308964 546485168 /nfs/dbraw/zinc/48/51/68/546485168.db2.gz ZBAJHMKCTLJXIM-CYBMUJFWSA-N 0 0 318.465 3.332 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCc2ccc(F)cc21 ZINC000330026661 546493864 /nfs/dbraw/zinc/49/38/64/546493864.db2.gz LTYIFVCMDVXNKM-JQFCIGGWSA-N 0 0 320.408 3.258 10 30 DGEERN Cc1nc([C@H](C)NC(=O)N2CCOC[C@@H](C3CCC3)C2)cs1 ZINC000330180240 546495969 /nfs/dbraw/zinc/49/59/69/546495969.db2.gz FVSGBJFQMQSQNE-FZMZJTMJSA-N 0 0 323.462 3.175 10 30 DGEERN C=CCOc1cc(OC)ccc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000349745273 546604037 /nfs/dbraw/zinc/60/40/37/546604037.db2.gz AOQIFQXUBKVRCE-ZDUSSCGKSA-N 0 0 316.357 3.032 10 30 DGEERN CCOC(C#Cc1c[nH]c2cncc(Br)c12)OCC ZINC000725245959 549811479 /nfs/dbraw/zinc/81/14/79/549811479.db2.gz NFZJDRBJICRJTN-UHFFFAOYSA-N 0 0 323.190 3.076 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H]1CC1(Cl)Cl ZINC000730424922 574529236 /nfs/dbraw/zinc/52/92/36/574529236.db2.gz KNBPNYURZFQHPK-ZYHUDNBSSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)COC1CCCC1 ZINC000730424184 574529331 /nfs/dbraw/zinc/52/93/31/574529331.db2.gz SBLFEHGOCQIXRU-AWEZNQCLSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@H](C)OCC(C)C)cc1 ZINC000730426369 574529475 /nfs/dbraw/zinc/52/94/75/574529475.db2.gz VYBQNWMXTAQPLP-CABCVRRESA-N 0 0 304.386 3.364 10 30 DGEERN C#Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2Cl)nc1 ZINC000730496911 574530107 /nfs/dbraw/zinc/53/01/07/574530107.db2.gz ZACAMFUYCLBTRA-UHFFFAOYSA-N 0 0 302.736 3.128 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)COC2CCCC2)c1 ZINC000730699747 574534156 /nfs/dbraw/zinc/53/41/56/574534156.db2.gz KTCDIIBQYMKRFZ-CQSZACIVSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1cccc(OC(=O)c2coc(Br)c2)c1 ZINC000730498229 574530402 /nfs/dbraw/zinc/53/04/02/574530402.db2.gz QDPCDBRFJOBGFY-UHFFFAOYSA-N 0 0 321.126 3.273 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000730705460 574534257 /nfs/dbraw/zinc/53/42/57/574534257.db2.gz ZAGNZNAOCCPTOR-GWCFXTLKSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccccc1OS(=O)(=O)c1ccc(CC)s1 ZINC000730574538 574532222 /nfs/dbraw/zinc/53/22/22/574532222.db2.gz ZXWJZATYZHZZDU-UHFFFAOYSA-N 0 0 322.407 3.090 10 30 DGEERN N#Cc1ccc(Oc2ccc(NC(=O)C3=COCCC3)cn2)cc1 ZINC000730746431 574535289 /nfs/dbraw/zinc/53/52/89/574535289.db2.gz DJHGNIXLVYNJFF-UHFFFAOYSA-N 0 0 321.336 3.378 10 30 DGEERN N#C[C@H]1CCN(Cc2ccc(-c3ccccn3)nc2)CC1(F)F ZINC000575603521 563864837 /nfs/dbraw/zinc/86/48/37/563864837.db2.gz CKAUGLUFGCUGAD-CQSZACIVSA-N 0 0 314.339 3.124 10 30 DGEERN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2nccnc2Cl)c1 ZINC000733078674 574594645 /nfs/dbraw/zinc/59/46/45/574594645.db2.gz ILVGKRIVXGMPFY-UHFFFAOYSA-N 0 0 312.116 3.138 10 30 DGEERN C#CCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000733246891 574609791 /nfs/dbraw/zinc/60/97/91/574609791.db2.gz TVYGTHMNRWNYCO-UHFFFAOYSA-N 0 0 304.802 3.146 10 30 DGEERN C#CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000733246363 574609810 /nfs/dbraw/zinc/60/98/10/574609810.db2.gz CCSSDCQBOHLRSG-UHFFFAOYSA-N 0 0 302.761 3.067 10 30 DGEERN C#CCCNC(=O)c1ccc(N(CC)Cc2ccccc2)cc1 ZINC000733246591 574609812 /nfs/dbraw/zinc/60/98/12/574609812.db2.gz QRQYXXKDGONWIT-UHFFFAOYSA-N 0 0 306.409 3.466 10 30 DGEERN C#CCCNC(=O)NCc1ccccc1OCc1ccccc1 ZINC000733338831 574617430 /nfs/dbraw/zinc/61/74/30/574617430.db2.gz CRRRZYYGXUHBLG-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN C#CCCNC(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000733356704 574617646 /nfs/dbraw/zinc/61/76/46/574617646.db2.gz NGWZEUGOSNBTIM-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN C#CCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000733357490 574617782 /nfs/dbraw/zinc/61/77/82/574617782.db2.gz UFFAMFJPGQPFGD-UHFFFAOYSA-N 0 0 319.455 3.045 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1cscn1 ZINC000733697370 574634741 /nfs/dbraw/zinc/63/47/41/574634741.db2.gz HPUKJKKCRYHZAA-ZDUSSCGKSA-N 0 0 315.394 3.392 10 30 DGEERN C=C(CSc1nc2ccccc2c(NCC)n1)C(=O)OCC ZINC000733871694 574641057 /nfs/dbraw/zinc/64/10/57/574641057.db2.gz MVUAAHOXPCUYGF-UHFFFAOYSA-N 0 0 317.414 3.273 10 30 DGEERN C=C(COC(=O)c1sc(C(C)(C)C)nc1C)C(=O)OCC ZINC000734029144 574647445 /nfs/dbraw/zinc/64/74/45/574647445.db2.gz PRNQSTFNGYACJP-UHFFFAOYSA-N 0 0 311.403 3.025 10 30 DGEERN C(=NNCCCc1ccccc1)c1nccn1Cc1ccccc1 ZINC000734096818 574650931 /nfs/dbraw/zinc/65/09/31/574650931.db2.gz YABHAQZZTNVIDF-UHFFFAOYSA-N 0 0 318.424 3.488 10 30 DGEERN N#CCOc1ccc(Cl)cc1CSc1nncn1C1CC1 ZINC000735230804 574691972 /nfs/dbraw/zinc/69/19/72/574691972.db2.gz RAWXHICXGXBGTA-UHFFFAOYSA-N 0 0 320.805 3.461 10 30 DGEERN N#CCOc1ccc(Cl)cc1CSc1cccc[n+]1[O-] ZINC000735231422 574692171 /nfs/dbraw/zinc/69/21/71/574692171.db2.gz VOXYAJRQADLPPW-UHFFFAOYSA-N 0 0 306.774 3.168 10 30 DGEERN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000735308668 574696254 /nfs/dbraw/zinc/69/62/54/574696254.db2.gz OALCBXQWZLPCAZ-WFASDCNBSA-N 0 0 308.809 3.242 10 30 DGEERN C=CCCC(=O)O[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000735348765 574699095 /nfs/dbraw/zinc/69/90/95/574699095.db2.gz HTJODGIOJFNYCH-HNNXBMFYSA-N 0 0 305.349 3.139 10 30 DGEERN CC(=O)N(C)c1ccccc1NC(=O)/C=C\c1ccccc1C#N ZINC000735639160 574710146 /nfs/dbraw/zinc/71/01/46/574710146.db2.gz AJMDOPFZZDVEAS-QXMHVHEDSA-N 0 0 319.364 3.193 10 30 DGEERN CCCCOCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735728750 574713298 /nfs/dbraw/zinc/71/32/98/574713298.db2.gz QATFHOSKWBMDBO-UHFFFAOYSA-N 0 0 311.765 3.102 10 30 DGEERN C=C(Cl)CNC(=O)c1cccc(OCc2cscn2)c1 ZINC000736238432 574737282 /nfs/dbraw/zinc/73/72/82/574737282.db2.gz IGYMOAMCHCITNN-UHFFFAOYSA-N 0 0 308.790 3.204 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000736577479 574759312 /nfs/dbraw/zinc/75/93/12/574759312.db2.gz GOJFRGUZLUGGTI-AWEZNQCLSA-N 0 0 312.454 3.350 10 30 DGEERN C#CCSCCNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000740071831 574922395 /nfs/dbraw/zinc/92/23/95/574922395.db2.gz ZEVAOIHNWXWRJV-CQSZACIVSA-N 0 0 322.861 3.205 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)CCOc2ccc(C)cc2)cc1 ZINC000741529866 574961715 /nfs/dbraw/zinc/96/17/15/574961715.db2.gz RYBWNEVILCPBKK-UHFFFAOYSA-N 0 0 323.392 3.158 10 30 DGEERN C=CCn1c2ccccc2nc1SC/C=C(\C)C(=O)OC ZINC000742205359 574985325 /nfs/dbraw/zinc/98/53/25/574985325.db2.gz VKSZAWVOZVWYMH-FMIVXFBMSA-N 0 0 302.399 3.434 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1csc([N+](=O)[O-])c1 ZINC000742260409 574988507 /nfs/dbraw/zinc/98/85/07/574988507.db2.gz GHZMKIOIMHBCAH-UHFFFAOYSA-N 0 0 306.318 3.420 10 30 DGEERN O=C1c2cccc(O)c2CC/C1=C/c1ccc(-n2cncn2)cc1 ZINC000742435581 575000138 /nfs/dbraw/zinc/00/01/38/575000138.db2.gz VKQQJGPXPPSWKH-UVTDQMKNSA-N 0 0 317.348 3.185 10 30 DGEERN O=C(/C=C\c1cnn2ccccc12)c1ccc2c(c1)CCC(=O)N2 ZINC000729644659 575258385 /nfs/dbraw/zinc/25/83/85/575258385.db2.gz ZPRGEONNVCATMR-YVMONPNESA-N 0 0 317.348 3.115 10 30 DGEERN O=[N+]([O-])c1ccc(NN=Cc2cnn3ccccc23)c(Cl)c1 ZINC000729639160 575259240 /nfs/dbraw/zinc/25/92/40/575259240.db2.gz XSPVEWOFLSJDDF-UHFFFAOYSA-N 0 0 315.720 3.342 10 30 DGEERN C=CCOCC(=O)O[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000729895918 575265912 /nfs/dbraw/zinc/26/59/12/575265912.db2.gz BSJIPOGWGPQZLH-KRWDZBQOSA-N 0 0 301.317 3.056 10 30 DGEERN C=CCN(C(=O)N[C@H](c1nnc2ccccn21)C(C)C)C(C)C ZINC000726282877 576014955 /nfs/dbraw/zinc/01/49/55/576014955.db2.gz UIBXMXANWWWOCG-HNNXBMFYSA-N 0 0 315.421 3.032 10 30 DGEERN C=C(Br)CNC(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000726982535 576091433 /nfs/dbraw/zinc/09/14/33/576091433.db2.gz VQGDVTQGFLSOAD-UHFFFAOYSA-N 0 0 313.582 3.460 10 30 DGEERN C#CCCCOC(=O)/C=C\c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000727041482 576097111 /nfs/dbraw/zinc/09/71/11/576097111.db2.gz LIOFFDXVTXIHLD-QIAWRQBBSA-N 0 0 314.381 3.379 10 30 DGEERN C#CCCCOC(=O)/C=C/c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000727041481 576097238 /nfs/dbraw/zinc/09/72/38/576097238.db2.gz LIOFFDXVTXIHLD-MYSGNRETSA-N 0 0 314.381 3.379 10 30 DGEERN COc1cc(C=NNc2ccc(C)cn2)ccc1OC(F)F ZINC000727259641 576116089 /nfs/dbraw/zinc/11/60/89/576116089.db2.gz JBAOYQSWKIMBAM-UHFFFAOYSA-N 0 0 307.300 3.446 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)c2cc(C)sc2C)c1 ZINC000728510863 576186199 /nfs/dbraw/zinc/18/61/99/576186199.db2.gz NQVSFHYYGIGOKM-UHFFFAOYSA-N 0 0 305.424 3.171 10 30 DGEERN CCCOc1ccc(OCC(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000154204321 620647489 /nfs/dbraw/zinc/64/74/89/620647489.db2.gz SKGYATNPCXHNNM-OAHLLOKOSA-N 0 0 305.374 3.336 10 30 DGEERN C=CC1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)CC1 ZINC000110967872 620656981 /nfs/dbraw/zinc/65/69/81/620656981.db2.gz CTVIFIPXFSOHEB-HIFRSBDPSA-N 0 0 324.465 3.350 10 30 DGEERN COc1ccc2c(CC(=O)O[C@@H](C#N)C(C)(C)C)coc2c1 ZINC000154370891 620666538 /nfs/dbraw/zinc/66/65/38/620666538.db2.gz HFWCJWQSDUBKJT-HNNXBMFYSA-N 0 0 301.342 3.465 10 30 DGEERN COc1ccc2c(CC(=O)O[C@H](C#N)C(C)(C)C)coc2c1 ZINC000154370788 620666602 /nfs/dbraw/zinc/66/66/02/620666602.db2.gz HFWCJWQSDUBKJT-OAHLLOKOSA-N 0 0 301.342 3.465 10 30 DGEERN CC(C)(C)c1noc(CCCC(=O)O[C@H](C#N)C(C)(C)C)n1 ZINC000154392818 620667749 /nfs/dbraw/zinc/66/77/49/620667749.db2.gz MPLSXNUIEIRANV-LLVKDONJSA-N 0 0 307.394 3.171 10 30 DGEERN C#Cc1cccc(NC(=O)N(CCC)C[C@@H]2CCCCO2)c1 ZINC000154461796 620678571 /nfs/dbraw/zinc/67/85/71/620678571.db2.gz NIJHDTQWQOMZEB-KRWDZBQOSA-N 0 0 300.402 3.481 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@H](C#N)C(C)(C)C)c(OC)c1 ZINC000154484324 620682002 /nfs/dbraw/zinc/68/20/02/620682002.db2.gz ZIUGLMJXVRZKQL-MRXNPFEDSA-N 0 0 317.385 3.284 10 30 DGEERN CC(=O)CCN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000135590013 618010921 /nfs/dbraw/zinc/01/09/21/618010921.db2.gz KRXZHEWVDOKZMQ-UHFFFAOYSA-N 0 0 322.364 3.402 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@H](C)C2CCOCC2)cc1OC ZINC000151485702 620449013 /nfs/dbraw/zinc/44/90/13/620449013.db2.gz HYRPNFXLZZWJTI-CYBMUJFWSA-N 0 0 320.385 3.232 10 30 DGEERN CC(C)(C)Oc1cccc(CCC(=O)O[C@H](C#N)C2CC2)n1 ZINC000151646033 620468094 /nfs/dbraw/zinc/46/80/94/620468094.db2.gz QEYDGSCLGKAECJ-CQSZACIVSA-N 0 0 302.374 3.037 10 30 DGEERN C#C[C@H](OC(=O)[C@H](C)Oc1cccc(Br)c1)C1CC1 ZINC000152398844 620504592 /nfs/dbraw/zinc/50/45/92/620504592.db2.gz KDZAYUVKXOOPPX-HZMBPMFUSA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@H](OC(=O)c1cc(OC)c(Br)s1)C1CC1 ZINC000152439188 620507461 /nfs/dbraw/zinc/50/74/61/620507461.db2.gz RAITVMANPABYCZ-QMMMGPOBSA-N 0 0 315.188 3.088 10 30 DGEERN C=CCCC(=O)Oc1ccc(NC(=O)CCC)cc1C(C)=O ZINC000113663331 620935473 /nfs/dbraw/zinc/93/54/73/620935473.db2.gz GGYPMQZCPMQCIT-UHFFFAOYSA-N 0 0 303.358 3.499 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1ccccc1OC)c1ccccn1 ZINC000113663148 620935566 /nfs/dbraw/zinc/93/55/66/620935566.db2.gz ZKYFXVIYRLXLLH-GOSISDBHSA-N 0 0 309.365 3.331 10 30 DGEERN C#Cc1cccc(N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000103146814 621265828 /nfs/dbraw/zinc/26/58/28/621265828.db2.gz WJXKVUQLHNMJTN-AWEZNQCLSA-N 0 0 310.372 3.121 10 30 DGEERN COC(=O)c1cnc(/C=C/c2ccc(O[C@H](C)C#N)cc2)s1 ZINC000103250778 621305980 /nfs/dbraw/zinc/30/59/80/621305980.db2.gz AVUHNHSJGWYBEL-AYLMVEPYSA-N 0 0 314.366 3.391 10 30 DGEERN Cc1ccc(CCC(=O)Nc2ccc(F)cc2OCC#N)o1 ZINC000120151078 621792272 /nfs/dbraw/zinc/79/22/72/621792272.db2.gz YJBGZQVSUJXAAZ-UHFFFAOYSA-N 0 0 302.305 3.201 10 30 DGEERN C=C[C@@H](CC(=O)OCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000122040715 622224041 /nfs/dbraw/zinc/22/40/41/622224041.db2.gz ASZSWKJJMYZLCF-AWEZNQCLSA-N 0 0 319.401 3.414 10 30 DGEERN C#CCN(C(=O)NCC1(c2cccc(F)c2)CC1)C1CCCC1 ZINC000122254182 622273285 /nfs/dbraw/zinc/27/32/85/622273285.db2.gz GSHKVFQDSYDSHI-UHFFFAOYSA-N 0 0 314.404 3.445 10 30 DGEERN C#CCN(C(=O)NC[C@H]1CCCO[C@@H]1C(C)C)C1CCCC1 ZINC000123917190 622750019 /nfs/dbraw/zinc/75/00/19/622750019.db2.gz VIHQHIABPGFREP-NVXWUHKLSA-N 0 0 306.450 3.025 10 30 DGEERN CCCCSCCC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000124169979 622946388 /nfs/dbraw/zinc/94/63/88/622946388.db2.gz OIXYMRKWNINJFU-CYBMUJFWSA-N 0 0 320.462 3.104 10 30 DGEERN C#CCOc1cccc(COC(=O)C[C@@H](C)c2ccncc2)c1 ZINC000124466823 623100567 /nfs/dbraw/zinc/10/05/67/623100567.db2.gz BJFAKXOSEXMVLR-OAHLLOKOSA-N 0 0 309.365 3.331 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)C(C)C ZINC000127520678 624425593 /nfs/dbraw/zinc/42/55/93/624425593.db2.gz CWZQLJNYKGAECF-CYBMUJFWSA-N 0 0 305.374 3.314 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)cn1 ZINC000128219624 624802677 /nfs/dbraw/zinc/80/26/77/624802677.db2.gz SZCRBFPCAJXLAY-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Oc1cccc(-n2cccn2)c1 ZINC000129908273 625796039 /nfs/dbraw/zinc/79/60/39/625796039.db2.gz YMKKUNLIZWDZLQ-UHFFFAOYSA-N 0 0 303.321 3.272 10 30 DGEERN C#Cc1cccc(NC(=O)c2ccc3cc(OC)ccc3n2)c1 ZINC000025614096 625802719 /nfs/dbraw/zinc/80/27/19/625802719.db2.gz HAFINPXHBXTFGJ-UHFFFAOYSA-N 0 0 302.333 3.477 10 30 DGEERN C[C@H](OC(=O)Cc1ccccc1Br)C(C)(C)C#N ZINC000130410520 625847936 /nfs/dbraw/zinc/84/79/36/625847936.db2.gz FVCZTILWRYYGRL-JTQLQIEISA-N 0 0 310.191 3.473 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000130902341 625915801 /nfs/dbraw/zinc/91/58/01/625915801.db2.gz FXPVVRDFWXYZHF-UHFFFAOYSA-N 0 0 311.721 3.118 10 30 DGEERN C=CCOCCCC(=O)Oc1cc(F)cc(Br)c1 ZINC000131223843 626608994 /nfs/dbraw/zinc/60/89/94/626608994.db2.gz QZADYKGEXOWINT-UHFFFAOYSA-N 0 0 317.154 3.476 10 30 DGEERN C=C(Br)CN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000131473147 626640856 /nfs/dbraw/zinc/64/08/56/626640856.db2.gz ZTKMYXBFNKJPHV-BXUZGUMPSA-N 0 0 314.198 3.496 10 30 DGEERN CC(C)c1noc2ncc(C(=O)O[C@H](C)C(C)(C)C#N)cc21 ZINC000131707562 626671411 /nfs/dbraw/zinc/67/14/11/626671411.db2.gz MFAQUHSDQBBPLL-SNVBAGLBSA-N 0 0 301.346 3.441 10 30 DGEERN C=CCc1cc(C(=O)O[C@@H](COC)C2CC2)cc(OC)c1OC ZINC000131738345 626674549 /nfs/dbraw/zinc/67/45/49/626674549.db2.gz LKNXAKGOXVEHCD-INIZCTEOSA-N 0 0 320.385 3.014 10 30 DGEERN O=C(CCc1nc(C2CCCC2)no1)OCC#Cc1ccccc1 ZINC000135044658 626902873 /nfs/dbraw/zinc/90/28/73/626902873.db2.gz CQIQLFYSAJZPRB-UHFFFAOYSA-N 0 0 324.380 3.255 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000137494902 627127248 /nfs/dbraw/zinc/12/72/48/627127248.db2.gz YTPOTZXSDCPBGL-CYBMUJFWSA-N 0 0 323.348 3.113 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C)cc1 ZINC000003445324 630312331 /nfs/dbraw/zinc/31/23/31/630312331.db2.gz WJJKKLIHACYMNJ-CYBMUJFWSA-N 0 0 309.369 3.030 10 30 DGEERN C#Cc1cccc(NC(=O)N(C)CCc2ccccc2OC)c1 ZINC000104989216 630601786 /nfs/dbraw/zinc/60/17/86/630601786.db2.gz NTNSUROCTRRICH-UHFFFAOYSA-N 0 0 308.381 3.383 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccccc1OCC#N ZINC000106696175 631443474 /nfs/dbraw/zinc/44/34/74/631443474.db2.gz JDZKDUIFAULKOH-HNNXBMFYSA-N 0 0 316.401 3.010 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccc(C#N)cc2)c1 ZINC000106931710 631488939 /nfs/dbraw/zinc/48/89/39/631488939.db2.gz KUSRASPDKYQGIP-MSOLQXFVSA-N 0 0 307.349 3.414 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)OCC#Cc2ccccc2)c1 ZINC000106986664 631496082 /nfs/dbraw/zinc/49/60/82/631496082.db2.gz NUGOOIDYODDLME-RTBURBONSA-N 0 0 306.361 3.394 10 30 DGEERN C#CCN(C(=O)c1cc(N(C)C)nc2ccccc21)C1CCCC1 ZINC000184882851 660192870 /nfs/dbraw/zinc/19/28/70/660192870.db2.gz KZZWVJMEQLNTEV-UHFFFAOYSA-N 0 0 321.424 3.319 10 30 DGEERN COc1cccc(C#CCOC(=O)/C=C/c2ncccc2C)c1 ZINC000185283649 660213853 /nfs/dbraw/zinc/21/38/53/660213853.db2.gz SNFYDOQMTXIREC-ZHACJKMWSA-N 0 0 307.349 3.007 10 30 DGEERN C#CCCCCCOC(=O)c1cc(OC)c(OC)cc1OC ZINC000185340473 660215751 /nfs/dbraw/zinc/21/57/51/660215751.db2.gz NYUQSJQTIYYFOO-UHFFFAOYSA-N 0 0 306.358 3.063 10 30 DGEERN C#CCCCCCOC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000185329509 660215971 /nfs/dbraw/zinc/21/59/71/660215971.db2.gz UKSFZLNJTFHDTO-UHFFFAOYSA-N 0 0 318.398 3.468 10 30 DGEERN CCCCCCCCCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173812928 659402458 /nfs/dbraw/zinc/40/24/58/659402458.db2.gz FNJBYNGPMDECHG-MSOLQXFVSA-N 0 0 324.509 3.306 10 30 DGEERN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccccc2C#N)C1 ZINC000008345833 660388481 /nfs/dbraw/zinc/38/84/81/660388481.db2.gz FRJLVIQHDJYXBH-HNNXBMFYSA-N 0 0 323.396 3.342 10 30 DGEERN COc1cc(C#N)ccc1OCCOc1cccc([C@H](C)O)c1 ZINC000085267921 660390929 /nfs/dbraw/zinc/39/09/29/660390929.db2.gz KGAPDMRZWHQEDT-ZDUSSCGKSA-N 0 0 313.353 3.078 10 30 DGEERN Cc1csc(C(C#N)C(=O)CCCOc2ccccc2)n1 ZINC000073976346 660578715 /nfs/dbraw/zinc/57/87/15/660578715.db2.gz HMCCZRXEZUXVLN-AWEZNQCLSA-N 0 0 300.383 3.487 10 30 DGEERN C#CC(C)(C)NC(=O)/C=C\c1cc(Br)ccc1F ZINC000700589624 660629792 /nfs/dbraw/zinc/62/97/92/660629792.db2.gz NOLHXVPWFBQADP-YVMONPNESA-N 0 0 310.166 3.129 10 30 DGEERN C#C[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000700594641 660630244 /nfs/dbraw/zinc/63/02/44/660630244.db2.gz BLPWAVYXMKLZBZ-ONGXEEELSA-N 0 0 300.185 3.289 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cc(Br)cnc1F ZINC000700914057 660644651 /nfs/dbraw/zinc/64/46/51/660644651.db2.gz KFPIGOAONCLMLB-UHFFFAOYSA-N 0 0 315.186 3.315 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(Br)cnc1F ZINC000700919233 660644722 /nfs/dbraw/zinc/64/47/22/660644722.db2.gz MVNXXRCITBELHC-UHFFFAOYSA-N 0 0 301.159 3.021 10 30 DGEERN CC1(C)C[C@@H](Sc2ncc(Br)cc2C#N)CO1 ZINC000703059109 660761239 /nfs/dbraw/zinc/76/12/39/660761239.db2.gz QPWAHYMJCSFDEC-SNVBAGLBSA-N 0 0 313.220 3.375 10 30 DGEERN C#C[C@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)C1 ZINC000704233748 660805895 /nfs/dbraw/zinc/80/58/95/660805895.db2.gz HQOOZSQFAJHNBO-ZDUSSCGKSA-N 0 0 307.846 3.445 10 30 DGEERN N#C[C@@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000049457449 655523997 /nfs/dbraw/zinc/52/39/97/655523997.db2.gz QYTPMRIRXQSBBG-CYBMUJFWSA-N 0 0 320.270 3.399 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000175729387 655538919 /nfs/dbraw/zinc/53/89/19/655538919.db2.gz FPSRSTPHGJAWOU-ZDUSSCGKSA-N 0 0 307.315 3.294 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000186948245 655539793 /nfs/dbraw/zinc/53/97/93/655539793.db2.gz HLQPMWVQMMJPRE-WBVHZDCISA-N 0 0 318.417 3.273 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3cc(Cl)ccc3[O-])n2c1 ZINC000254951099 655548089 /nfs/dbraw/zinc/54/80/89/655548089.db2.gz IISGGRMGJRVWOW-HYXAFXHYSA-N 0 0 323.739 3.461 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)NCc1ccn(C2CCCC2)n1 ZINC000254953248 655548220 /nfs/dbraw/zinc/54/82/20/655548220.db2.gz HZFRZOYSTCZGAX-KTKRTIGZSA-N 0 0 320.396 3.199 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@H](C)Cc1ccc2c(c1)OCO2 ZINC000187632780 655553977 /nfs/dbraw/zinc/55/39/77/655553977.db2.gz ZRYFHQQKKOJFBG-FZKQIMNGSA-N 0 0 320.385 3.118 10 30 DGEERN N#CCc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255095573 655597776 /nfs/dbraw/zinc/59/77/76/655597776.db2.gz LDFQQBMWQRZUDZ-BENRWUELSA-N 0 0 316.357 3.304 10 30 DGEERN COc1ccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)cc1F ZINC000255120260 655604263 /nfs/dbraw/zinc/60/42/63/655604263.db2.gz CBPNWGMANSWFFT-PLNGDYQASA-N 0 0 321.311 3.250 10 30 DGEERN CCCCCCCCCNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000121131080 655614385 /nfs/dbraw/zinc/61/43/85/655614385.db2.gz MIJXWCFZGWZKPC-MRXNPFEDSA-N 0 0 311.470 3.047 10 30 DGEERN C[C@H](NC(=O)CON=Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000255200441 655643948 /nfs/dbraw/zinc/64/39/48/655643948.db2.gz LAPIQUBLZJTZKL-LBPRGKRZSA-N 0 0 318.323 3.193 10 30 DGEERN N#C[C@H](OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000083771485 655654068 /nfs/dbraw/zinc/65/40/68/655654068.db2.gz PSVYNKSKJHLFEE-AWEZNQCLSA-N 0 0 309.325 3.073 10 30 DGEERN COc1ccc(C[C@H](C)OC(=O)c2cc(C#N)cs2)cc1 ZINC000083940845 655657823 /nfs/dbraw/zinc/65/78/23/655657823.db2.gz SKLCOTRBJOPDDH-NSHDSACASA-N 0 0 301.367 3.416 10 30 DGEERN C=C[C@H](C)OC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000187577226 655666056 /nfs/dbraw/zinc/66/60/56/655666056.db2.gz WUKIJIJNRFPUJH-LBPRGKRZSA-N 0 0 308.399 3.134 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000176015922 655705665 /nfs/dbraw/zinc/70/56/65/655705665.db2.gz HZWZHNLJBRRJJS-HUUCEWRRSA-N 0 0 302.370 3.300 10 30 DGEERN N#C[C@@H](OC(=O)CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000176082051 655738814 /nfs/dbraw/zinc/73/88/14/655738814.db2.gz PNLLHSKYJRXPEH-CYBMUJFWSA-N 0 0 313.275 3.363 10 30 DGEERN COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1NC(C)=O ZINC000255414636 655740465 /nfs/dbraw/zinc/74/04/65/655740465.db2.gz YGQWQYHWYHWIFG-CLFYSBASSA-N 0 0 320.348 3.421 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)c(F)c1 ZINC000178443789 655742494 /nfs/dbraw/zinc/74/24/94/655742494.db2.gz KZUFFQIQTGOLHO-BQYQJAHWSA-N 0 0 321.304 3.216 10 30 DGEERN C#CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1CCCC1 ZINC000176250449 655747367 /nfs/dbraw/zinc/74/73/67/655747367.db2.gz BJTZSVVSEABEOV-UHFFFAOYSA-N 0 0 322.449 3.084 10 30 DGEERN Cc1cc(C#N)ccc1OS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255491474 655767217 /nfs/dbraw/zinc/76/72/17/655767217.db2.gz QLYSPDRSOPESNP-HJWRWDBZSA-N 0 0 317.341 3.385 10 30 DGEERN Oc1ccccc1/C=N/[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158181971 655775150 /nfs/dbraw/zinc/77/51/50/655775150.db2.gz RUYKBYAKVKRQSL-UZPSYVQNSA-N 0 0 301.777 3.138 10 30 DGEERN N#C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)C1CC1 ZINC000161853462 655824045 /nfs/dbraw/zinc/82/40/45/655824045.db2.gz OPJIRVMKSPQKNI-OAHLLOKOSA-N 0 0 309.394 3.265 10 30 DGEERN C#CC[C@H](OC(=O)CCCNC(=O)OC(C)(C)C)C(C)(C)C ZINC000159766877 655851332 /nfs/dbraw/zinc/85/13/32/655851332.db2.gz PXVYKDNAVBOOEC-ZDUSSCGKSA-N 0 0 311.422 3.273 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(C[S@](C)=O)c1)C(C)(C)C ZINC000159889439 655853468 /nfs/dbraw/zinc/85/34/68/655853468.db2.gz IRNZJWQKUAFSJZ-YCRPNKLZSA-N 0 0 306.427 3.160 10 30 DGEERN N#Cc1c(F)cccc1OS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255597439 655854155 /nfs/dbraw/zinc/85/41/55/655854155.db2.gz OKLVOQMEOFHXBS-HJWRWDBZSA-N 0 0 321.304 3.216 10 30 DGEERN COc1ccc(O)c(/C=N\[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000255632616 655883009 /nfs/dbraw/zinc/88/30/09/655883009.db2.gz BLEDKKAUEYKXEL-CQLSMYGBSA-N 0 0 322.368 3.162 10 30 DGEERN Cc1nn(C)c(C)c1C(=O)C=Cc1c[nH]c(-c2ccccc2)n1 ZINC000255671362 655888566 /nfs/dbraw/zinc/88/85/66/655888566.db2.gz NYDYLMZCZFEURF-KTKRTIGZSA-N 0 0 306.369 3.323 10 30 DGEERN C#CC[C@@H](OC(=O)c1cnc(-c2ccncc2)s1)C(C)C ZINC000179465964 655893378 /nfs/dbraw/zinc/89/33/78/655893378.db2.gz WZAATCNRYLZNTE-CYBMUJFWSA-N 0 0 300.383 3.410 10 30 DGEERN C#CCCCNC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000177108147 655908900 /nfs/dbraw/zinc/90/89/00/655908900.db2.gz PVPHTDZUPLZSAH-OAHLLOKOSA-N 0 0 302.418 3.495 10 30 DGEERN Cc1cc(OC(=O)c2cc(C#N)cn2C)ccc1Br ZINC000167258013 655915610 /nfs/dbraw/zinc/91/56/10/655915610.db2.gz PBGCEWHZSNYHJH-UHFFFAOYSA-N 0 0 319.158 3.187 10 30 DGEERN C=CCc1cc(C(=O)OC[C@@]2(C)CCCO2)cc(OC)c1OC ZINC000177230821 655917756 /nfs/dbraw/zinc/91/77/56/655917756.db2.gz VVXGLFGGLDTVQT-GOSISDBHSA-N 0 0 320.385 3.158 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)CCCNC(=O)C2CC2)CC1 ZINC000177694161 655940148 /nfs/dbraw/zinc/94/01/48/655940148.db2.gz BGGFEKIDMOZWTF-HNNXBMFYSA-N 0 0 305.418 3.139 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@H]2CCCN(C(=O)CC)C2)CC1 ZINC000177693569 655940173 /nfs/dbraw/zinc/94/01/73/655940173.db2.gz BDRZDVKKWNIGJW-SJORKVTESA-N 0 0 319.445 3.481 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)Cn2c(C)c(C)sc2=O)CC1 ZINC000177693862 655940176 /nfs/dbraw/zinc/94/01/76/655940176.db2.gz VAAFFJYPWVOSAX-OAHLLOKOSA-N 0 0 321.442 3.372 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1ccc(F)cc1Br ZINC000066308834 655945830 /nfs/dbraw/zinc/94/58/30/655945830.db2.gz WJMCZEJYAWLKDY-VIFPVBQESA-N 0 0 317.154 3.475 10 30 DGEERN Cc1nc(C(=O)OC[C@@H](C#N)Cc2cccs2)c(C)s1 ZINC000180113706 655952038 /nfs/dbraw/zinc/95/20/38/655952038.db2.gz QRGMYNXFYDSIBQ-LLVKDONJSA-N 0 0 306.412 3.361 10 30 DGEERN N#C[C@@H](COC(=O)Cc1cccc(F)c1F)Cc1ccccc1 ZINC000181236429 655974691 /nfs/dbraw/zinc/97/46/91/655974691.db2.gz ZDZXJGBFBQYGJN-AWEZNQCLSA-N 0 0 315.319 3.433 10 30 DGEERN N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715796913 661214434 /nfs/dbraw/zinc/21/44/34/661214434.db2.gz OXYIXFCDNNBMCE-QPUJVOFHSA-N 0 0 313.170 3.076 10 30 DGEERN C=C(Br)COC(=O)c1noc2c1CCCCC2 ZINC000187646015 656139493 /nfs/dbraw/zinc/13/94/93/656139493.db2.gz UKJKXKHEVNRSSS-UHFFFAOYSA-N 0 0 300.152 3.009 10 30 DGEERN C#CC[C@H](COC)NC(=O)c1sc2ccccc2c1Cl ZINC000716822050 661229625 /nfs/dbraw/zinc/22/96/25/661229625.db2.gz QGUCAPRJZWFGGX-SNVBAGLBSA-N 0 0 307.802 3.323 10 30 DGEERN C#CC[C@H](COC)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000716842585 661229827 /nfs/dbraw/zinc/22/98/27/661229827.db2.gz IXAIZVWGCRYMKI-LLVKDONJSA-N 0 0 301.173 3.153 10 30 DGEERN CC(C)n1cc2cc(NC(=O)N[C@@H]3CCCNC3=O)ccc2n1 ZINC000330033951 656177791 /nfs/dbraw/zinc/17/77/91/656177791.db2.gz VZMPLIQANIKGQY-CQSZACIVSA-N 0 0 315.377 3.062 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1ccc(OCC(F)F)nc1 ZINC000195077130 656208943 /nfs/dbraw/zinc/20/89/43/656208943.db2.gz YZOBSEPMPGUPLK-UHFFFAOYSA-N 0 0 312.316 3.212 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000299986138 656231301 /nfs/dbraw/zinc/23/13/01/656231301.db2.gz LMPYSHSFIAPEMV-BARDWOONSA-N 0 0 307.438 3.104 10 30 DGEERN N#Cc1ccc(F)cc1CN1CCS[C@H](C(F)(F)F)C1 ZINC000721387858 656445703 /nfs/dbraw/zinc/44/57/03/656445703.db2.gz HRUFEPMETUGSGK-LBPRGKRZSA-N 0 0 304.312 3.177 10 30 DGEERN O=C(Nc1nc2c(s1)CCCC2)N1CCC[C@H]1c1ncc[nH]1 ZINC000329718296 657188076 /nfs/dbraw/zinc/18/80/76/657188076.db2.gz YOABDNLCNVJKRW-NSHDSACASA-N 0 0 317.418 3.128 10 30 DGEERN C=CCCOCCNC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192786153 657382075 /nfs/dbraw/zinc/38/20/75/657382075.db2.gz YVEUOUGOGGTOLG-UHFFFAOYSA-N 0 0 319.735 3.177 10 30 DGEERN N#Cc1ccc(NCc2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC000096601063 657539094 /nfs/dbraw/zinc/53/90/94/657539094.db2.gz SAJJZYTVBCDTAY-UHFFFAOYSA-N 0 0 303.705 3.438 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000303906044 657579140 /nfs/dbraw/zinc/57/91/40/657579140.db2.gz QPFMWKYCJSBTMA-GFCCVEGCSA-N 0 0 315.319 3.468 10 30 DGEERN C=CCOc1ccc(OCc2nc(C(=O)OCC)cs2)cc1 ZINC000418887780 657861265 /nfs/dbraw/zinc/86/12/65/657861265.db2.gz NPNCJQFBOORDOM-UHFFFAOYSA-N 0 0 319.382 3.464 10 30 DGEERN C=CC[C@]1(C(=O)N(C)CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC000189000104 658137122 /nfs/dbraw/zinc/13/71/22/658137122.db2.gz MZYTWZINXLXMSO-GOSISDBHSA-N 0 0 322.449 3.201 10 30 DGEERN CC1(Nc2ncc(Br)cc2C#N)CC(F)(F)C1 ZINC000720965238 658271448 /nfs/dbraw/zinc/27/14/48/658271448.db2.gz OTXAEVVEOQNCDP-UHFFFAOYSA-N 0 0 302.122 3.315 10 30 DGEERN C=CCC[C@H](OC(=O)c1cnn(-c2ccccn2)c1C)C1CC1 ZINC000179233599 658388349 /nfs/dbraw/zinc/38/83/49/658388349.db2.gz OFHUVJZROSRKHH-INIZCTEOSA-N 0 0 311.385 3.477 10 30 DGEERN N#C[C@@H](COC(=O)CSCC(F)(F)F)Cc1cccs1 ZINC000089289119 658391124 /nfs/dbraw/zinc/39/11/24/658391124.db2.gz ZOXSYOXJNQXNKD-VIFPVBQESA-N 0 0 323.361 3.269 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000436126709 658791317 /nfs/dbraw/zinc/79/13/17/658791317.db2.gz JQAJQOLDOVYXOD-UHFFFAOYSA-N 0 0 320.396 3.137 10 30 DGEERN C=C(C)CCOC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 ZINC000174798918 658839773 /nfs/dbraw/zinc/83/97/73/658839773.db2.gz NQVJCISQKLBXSH-QGZVFWFLSA-N 0 0 303.402 3.399 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@H](C#N)C(C)C ZINC000080387377 658886712 /nfs/dbraw/zinc/88/67/12/658886712.db2.gz IUWSNQBMSFIJMA-MRXNPFEDSA-N 0 0 305.422 3.180 10 30 DGEERN CC(C)c1nnc2n1CCN(Cc1ccc(CC#N)cc1)[C@@H]2C ZINC000439268945 658933468 /nfs/dbraw/zinc/93/34/68/658933468.db2.gz DLSZYPCAUZEDDE-CQSZACIVSA-N 0 0 309.417 3.044 10 30 DGEERN Cc1cc2c(nc(N3CCCC3)nc2Nc2cccc(C#N)c2)[nH]1 ZINC000223929107 659005309 /nfs/dbraw/zinc/00/53/09/659005309.db2.gz WOUIIRXPMJDZGO-UHFFFAOYSA-N 0 0 318.384 3.482 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000057745734 659025588 /nfs/dbraw/zinc/02/55/88/659025588.db2.gz UAOFTNKFUMTUOG-STQMWFEESA-N 0 0 305.374 3.230 10 30 DGEERN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc(O)c1 ZINC000059105698 659131645 /nfs/dbraw/zinc/13/16/45/659131645.db2.gz APQQKQREWOWJLW-NTEUORMPSA-N 0 0 314.341 3.423 10 30 DGEERN C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)C(=O)N2CCCC2)CC(C)(C)C1 ZINC000171363620 659277360 /nfs/dbraw/zinc/27/73/60/659277360.db2.gz IUHBRGKCZZRHBH-QLFBSQMISA-N 0 0 304.434 3.170 10 30 DGEERN C=CCc1ccccc1OC(=O)CN1CCCCCCC1=O ZINC000171480535 659283229 /nfs/dbraw/zinc/28/32/29/659283229.db2.gz HNCCVORGNMPVEE-UHFFFAOYSA-N 0 0 301.386 3.113 10 30 DGEERN C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000172722249 659351706 /nfs/dbraw/zinc/35/17/06/659351706.db2.gz VBFIXRZTTCTSRD-SJORKVTESA-N 0 0 319.360 3.181 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1cnc(CCC)s1 ZINC000172992982 659369371 /nfs/dbraw/zinc/36/93/71/659369371.db2.gz ACKWFDQQFNYFHT-UHFFFAOYSA-N 0 0 301.367 3.327 10 30 DGEERN C=CCCO[C@H](C)C(=O)OC[C@H]1CCN(c2ccccc2)C1 ZINC000174373717 659429663 /nfs/dbraw/zinc/42/96/63/659429663.db2.gz ANSHNXPBJYPRDO-CVEARBPZSA-N 0 0 303.402 3.037 10 30 DGEERN C#C[C@H](C)OC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000174443879 659433805 /nfs/dbraw/zinc/43/38/05/659433805.db2.gz XEJZEBAJEZQFNH-UWVGGRQHSA-N 0 0 313.216 3.495 10 30 DGEERN C#C[C@@H](C)OC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000174456139 659434317 /nfs/dbraw/zinc/43/43/17/659434317.db2.gz ZDMJOQBJGBIANW-OAHLLOKOSA-N 0 0 310.349 3.209 10 30 DGEERN COc1ccccc1[C@H](O)CNc1c(Cl)cccc1C#N ZINC000174681605 659495115 /nfs/dbraw/zinc/49/51/15/659495115.db2.gz IVRVPYRJMDQRPW-CQSZACIVSA-N 0 0 302.761 3.366 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1ccc(CC)c(S(C)(=O)=O)c1 ZINC000089311875 659615327 /nfs/dbraw/zinc/61/53/27/659615327.db2.gz YNUBETMILIIDOI-GFCCVEGCSA-N 0 0 310.415 3.164 10 30 DGEERN COc1ccccc1CC(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000175365975 659919007 /nfs/dbraw/zinc/91/90/07/659919007.db2.gz AVMGIBZQKPHNRU-INIZCTEOSA-N 0 0 309.365 3.163 10 30 DGEERN COc1ccccc1CC(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000175365990 659919070 /nfs/dbraw/zinc/91/90/70/659919070.db2.gz AVMGIBZQKPHNRU-MRXNPFEDSA-N 0 0 309.365 3.163 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000175375202 659920022 /nfs/dbraw/zinc/92/00/22/659920022.db2.gz SYDLUUJRDZIUED-HNNXBMFYSA-N 0 0 324.336 3.443 10 30 DGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000175708748 659927756 /nfs/dbraw/zinc/92/77/56/659927756.db2.gz DCDMXIZKASJFRH-STQMWFEESA-N 0 0 306.192 3.192 10 30 DGEERN COc1ccc(C(=O)CCCC(=O)OCC(C)(C)C#N)cc1 ZINC000180106441 659951907 /nfs/dbraw/zinc/95/19/07/659951907.db2.gz SXYIVOAGWJALOF-UHFFFAOYSA-N 0 0 303.358 3.141 10 30 DGEERN N#C[C@H](COC(=O)CC[C@@H]1CCCCO1)Cc1cccs1 ZINC000180104540 659952010 /nfs/dbraw/zinc/95/20/10/659952010.db2.gz UPAQIRAZIHBVNI-KGLIPLIRSA-N 0 0 307.415 3.323 10 30 DGEERN CC(C)(C#N)COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000180173980 659954041 /nfs/dbraw/zinc/95/40/41/659954041.db2.gz SIYCXYZJOSLJQG-UHFFFAOYSA-N 0 0 311.341 3.321 10 30 DGEERN C#CCOc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 ZINC000069058111 659974416 /nfs/dbraw/zinc/97/44/16/659974416.db2.gz OPMMNXUUDFOOPE-MRXNPFEDSA-N 0 0 312.756 3.206 10 30 DGEERN O=c1ccc2c([nH]1)CC/C(=C/c1cccc3cnccc13)C2=O ZINC000180933184 659975905 /nfs/dbraw/zinc/97/59/05/659975905.db2.gz PTNJTOAFZVLJPC-RAXLEYEMSA-N 0 0 302.333 3.136 10 30 DGEERN COc1cccc(C#CCOC(=O)c2cccc3ncccc32)c1 ZINC000181172228 659985221 /nfs/dbraw/zinc/98/52/21/659985221.db2.gz YNVKKYBRQHBFIE-UHFFFAOYSA-N 0 0 317.344 3.452 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000181223856 659987699 /nfs/dbraw/zinc/98/76/99/659987699.db2.gz QDGCXZXQWOEFLV-JTQLQIEISA-N 0 0 316.300 3.427 10 30 DGEERN N#C[C@H](COC(=O)Cc1cccc(F)c1F)Cc1ccccc1 ZINC000181236411 659988959 /nfs/dbraw/zinc/98/89/59/659988959.db2.gz ZDZXJGBFBQYGJN-CQSZACIVSA-N 0 0 315.319 3.433 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1cccc(OCc2noc(C)n2)c1 ZINC000181248468 659989394 /nfs/dbraw/zinc/98/93/94/659989394.db2.gz DCOIURLSRDBQDI-ZDUSSCGKSA-N 0 0 302.330 3.078 10 30 DGEERN CC(C)OCCCC(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000181525629 660006013 /nfs/dbraw/zinc/00/60/13/660006013.db2.gz PMESLRIBXOJLSW-HNNXBMFYSA-N 0 0 307.365 3.256 10 30 DGEERN CC(C)OCCCC(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000181525646 660006097 /nfs/dbraw/zinc/00/60/97/660006097.db2.gz PMESLRIBXOJLSW-OAHLLOKOSA-N 0 0 307.365 3.256 10 30 DGEERN C#CC[C@H](OC(=O)c1sccc1COC)c1ccccn1 ZINC000181673028 660014683 /nfs/dbraw/zinc/01/46/83/660014683.db2.gz LUWNZMOAVGCECS-AWEZNQCLSA-N 0 0 301.367 3.211 10 30 DGEERN C=CCc1ccccc1OC(=O)CCNC(=O)OC(C)(C)C ZINC000069837202 660024712 /nfs/dbraw/zinc/02/47/12/660024712.db2.gz PVLZUEOFJNRKHE-UHFFFAOYSA-N 0 0 305.374 3.235 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000182280464 660040770 /nfs/dbraw/zinc/04/07/70/660040770.db2.gz CUEXEEYJFJFPRY-ZZXKWVIFSA-N 0 0 300.310 3.011 10 30 DGEERN 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CC[C@H](CC(=O)OCC1(C#N)CCOCC1)c1ccccc1 ZINC000183997228 660151787 /nfs/dbraw/zinc/15/17/87/660151787.db2.gz AXNFCUJRJZTWDH-OAHLLOKOSA-N 0 0 301.386 3.434 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OCC(C)(C)CC#N ZINC000184501977 660169974 /nfs/dbraw/zinc/16/99/74/660169974.db2.gz KELCGFOIKSERQX-UHFFFAOYSA-N 0 0 303.358 3.357 10 30 DGEERN C=C[C@@H](C)OC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000187541581 661840241 /nfs/dbraw/zinc/84/02/41/661840241.db2.gz KRHFRMJCEOURCZ-LLVKDONJSA-N 0 0 304.321 3.316 10 30 DGEERN C#C[C@H](C)OC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155246315 661844131 /nfs/dbraw/zinc/84/41/31/661844131.db2.gz FJMSHJAFMDULPO-KGLIPLIRSA-N 0 0 323.433 3.225 10 30 DGEERN C#Cc1cccc(NC(=O)NCc2ccn(C3CCCC3)n2)c1 ZINC000155736186 661851615 /nfs/dbraw/zinc/85/16/15/661851615.db2.gz TYHIKZJVNLQDOU-UHFFFAOYSA-N 0 0 308.385 3.301 10 30 DGEERN C=C[C@@H](C)OC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000187549666 661870893 /nfs/dbraw/zinc/87/08/93/661870893.db2.gz LZCYBNYDKBMKHO-GFCCVEGCSA-N 0 0 307.415 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ZINC000310708699 1199724837 /nfs/dbraw/zinc/72/48/37/1199724837.db2.gz SZWDVIVGWLAHCO-SECBINFHSA-N 0 0 315.186 3.057 10 30 DGEERN C=CCOc1ccc(CNc2ccc(-n3cncn3)cc2)cc1 ZINC000119624711 1200096442 /nfs/dbraw/zinc/09/64/42/1200096442.db2.gz ACGSIAKMLIHJOI-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN CC[C@H](C)NC(=O)CCNc1cc(Br)ccc1C#N ZINC000123218472 1200276117 /nfs/dbraw/zinc/27/61/17/1200276117.db2.gz RRPSQGSIDZUMQN-JTQLQIEISA-N 0 0 324.222 3.037 10 30 DGEERN CC(=O)C1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123967031 1200307384 /nfs/dbraw/zinc/30/73/84/1200307384.db2.gz WDWLUIDGALYKGK-UHFFFAOYSA-N 0 0 307.191 3.126 10 30 DGEERN C=CCO[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000136648335 1201213218 /nfs/dbraw/zinc/21/32/18/1201213218.db2.gz ICFDTVJAPUKZJL-OCCSQVGLSA-N 0 0 306.431 3.112 10 30 DGEERN N#CCOc1cccc(CC(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000194816014 1201411025 /nfs/dbraw/zinc/41/10/25/1201411025.db2.gz VDAVBQKRHFZAEL-UHFFFAOYSA-N 0 0 305.337 3.251 10 30 DGEERN C#C[C@H](CCC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000229958732 1202460324 /nfs/dbraw/zinc/46/03/24/1202460324.db2.gz MGKNRCZDXFJSBS-SECBINFHSA-N 0 0 306.214 3.074 10 30 DGEERN C[C@H](Nc1ccc(C#N)c(Br)c1F)c1cn[nH]c1 ZINC000229731222 1202596806 /nfs/dbraw/zinc/59/68/06/1202596806.db2.gz LZPFFUUOYMYULI-ZETCQYMHSA-N 0 0 309.142 3.356 10 30 DGEERN C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)[C@@H](C)CO1 ZINC000231844175 1202600298 /nfs/dbraw/zinc/60/02/98/1202600298.db2.gz RBGNMBZNGLJINZ-DTWKUNHWSA-N 0 0 313.170 3.073 10 30 DGEERN C[C@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)CCO1 ZINC000235695374 1202604661 /nfs/dbraw/zinc/60/46/61/1202604661.db2.gz SOGAJJDBJBWYRB-WCBMZHEXSA-N 0 0 313.170 3.439 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@H](O)c1ccco1 ZINC000236539367 1202611648 /nfs/dbraw/zinc/61/16/48/1202611648.db2.gz PSMUKPBZNPOFDN-LBPRGKRZSA-N 0 0 307.147 3.059 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCc2cc(C)cc(C)c2C1 ZINC000186864803 1202969287 /nfs/dbraw/zinc/96/92/87/1202969287.db2.gz SKDXDFBQVCDIHB-IBGZPJMESA-N 0 0 301.430 3.417 10 30 DGEERN C#C[C@H](C)NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000588512870 1082521272 /nfs/dbraw/zinc/52/12/72/1082521272.db2.gz TYWJGOQBLYCARZ-KWINOFQJSA-N 0 0 301.695 3.424 10 30 DGEERN C=C(C)CN(C)C(=O)/C=C\c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000588395333 1082128905 /nfs/dbraw/zinc/12/89/05/1082128905.db2.gz ZKHRQAQSEQISAI-WBTMPAOCSA-N 0 0 315.413 3.456 10 30 DGEERN Cc1ccccc1-c1nc(CON=C2CCCOCC2)no1 ZINC000588398928 1082140615 /nfs/dbraw/zinc/14/06/15/1082140615.db2.gz GYQRUNLMBRWOGN-UHFFFAOYSA-N 0 0 301.346 3.118 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(NC(C)=O)cc1 ZINC000588410350 1082169245 /nfs/dbraw/zinc/16/92/45/1082169245.db2.gz IKOSOTABENCDSV-UITAMQMPSA-N 0 0 311.337 3.255 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588444498 1082288955 /nfs/dbraw/zinc/28/89/55/1082288955.db2.gz NSKMPDMOUHYNBQ-OEMOTLHWSA-N 0 0 304.365 3.246 10 30 DGEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1ccccn1 ZINC000588447285 1082295085 /nfs/dbraw/zinc/29/50/85/1082295085.db2.gz KNXCWJGLUXSWIF-KUGGDMIFSA-N 0 0 307.309 3.270 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)CC#N ZINC000588467314 1082368470 /nfs/dbraw/zinc/36/84/70/1082368470.db2.gz BPOBKMQEFHMRFE-BENRWUELSA-N 0 0 302.330 3.481 10 30 DGEERN COc1ccc(OC)c(C=NOCc2ccc(C#N)c(F)c2)c1 ZINC000588581500 1082751552 /nfs/dbraw/zinc/75/15/52/1082751552.db2.gz WYESGJJIDNUSBB-UHFFFAOYSA-N 0 0 314.316 3.265 10 30 DGEERN CCCc1ncc(C(=O)OCC#Cc2cccc(OC)c2)s1 ZINC000176593195 1088127466 /nfs/dbraw/zinc/12/74/66/1088127466.db2.gz UMVNJCLBOFWIHZ-UHFFFAOYSA-N 0 0 315.394 3.313 10 30 DGEERN O=C(Nc1ccc(Cl)c(F)c1)c1cccc(C#CCO)c1 ZINC000049124702 1088186080 /nfs/dbraw/zinc/18/60/80/1088186080.db2.gz FUYCWFCGWOMNBG-UHFFFAOYSA-N 0 0 303.720 3.075 10 30 DGEERN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C#N)cn2C)c1C ZINC000081783908 192323351 /nfs/dbraw/zinc/32/33/51/192323351.db2.gz QQLDJRLRSDDUMA-KRWDZBQOSA-N 0 0 307.397 3.491 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000129309951 432003438 /nfs/dbraw/zinc/00/34/38/432003438.db2.gz XPVUOPGVYBYVTP-HNNXBMFYSA-N 0 0 314.348 3.243 10 30 DGEERN CC[C@@H]1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)CCO1 ZINC000181339155 529419432 /nfs/dbraw/zinc/41/94/32/529419432.db2.gz JHQJOKNCPXFFEB-ZOWXZIJZSA-N 0 0 306.793 3.226 10 30 DGEERN CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1nccs1 ZINC000152479030 529661297 /nfs/dbraw/zinc/66/12/97/529661297.db2.gz DWYYOWJSFHKFPU-LLVKDONJSA-N 0 0 307.325 3.174 10 30 DGEERN CC(=O)NC[C@H]1CCCN(c2ccc(C#N)c3ccccc32)C1 ZINC000090563362 185303813 /nfs/dbraw/zinc/30/38/13/185303813.db2.gz AAGPEWFLLMRKSS-OAHLLOKOSA-N 0 0 307.397 3.064 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000129523643 432006127 /nfs/dbraw/zinc/00/61/27/432006127.db2.gz XOFHDHRZTZJTNU-MRXNPFEDSA-N 0 0 306.381 3.095 10 30 DGEERN C[C@@H](Nc1ncncc1Br)c1ccc(C#N)cc1 ZINC000090780819 185311900 /nfs/dbraw/zinc/31/19/00/185311900.db2.gz IPMHAYUMEJKKNA-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN N#Cc1ccc2ncc(CN3CCC(OC4CCCC4)CC3)n2c1 ZINC000092758723 185338471 /nfs/dbraw/zinc/33/84/71/185338471.db2.gz ZJYHCTQDXQBTQY-UHFFFAOYSA-N 0 0 324.428 3.130 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000181569328 199318946 /nfs/dbraw/zinc/31/89/46/199318946.db2.gz TYGKZFAFWJLDKH-UHFFFAOYSA-N 0 0 323.396 3.369 10 30 DGEERN CN(C)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 ZINC000358582018 529817189 /nfs/dbraw/zinc/81/71/89/529817189.db2.gz SIYXBRCZGBFJMQ-CMDGGOBGSA-N 0 0 307.357 3.174 10 30 DGEERN N#Cc1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1 ZINC000129847277 432009681 /nfs/dbraw/zinc/00/96/81/432009681.db2.gz HHKBKDGPXQMFHV-UHFFFAOYSA-N 0 0 309.373 3.192 10 30 DGEERN C=CCCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000170665863 197804184 /nfs/dbraw/zinc/80/41/84/197804184.db2.gz BPBZVQYEKFLQIT-AWEZNQCLSA-N 0 0 303.431 3.440 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000277810913 213787678 /nfs/dbraw/zinc/78/76/78/213787678.db2.gz YGDXTZDZEQLMFZ-PVAVHDDUSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nnc(C(C)C)o1 ZINC000170697492 197809385 /nfs/dbraw/zinc/80/93/85/197809385.db2.gz OSMOSIBTVPKSRJ-UHFFFAOYSA-N 0 0 303.318 3.409 10 30 DGEERN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000234165900 201901484 /nfs/dbraw/zinc/90/14/84/201901484.db2.gz IAKYOIKWLDENKS-MRVPVSSYSA-N 0 0 303.347 3.053 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000130098696 432015269 /nfs/dbraw/zinc/01/52/69/432015269.db2.gz WZMQUKZIVNYKNZ-CRAIPNDOSA-N 0 0 322.408 3.151 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1ccc(C#N)cc1 ZINC000066709511 432019927 /nfs/dbraw/zinc/01/99/27/432019927.db2.gz ZOGHZFDFPUSUGQ-BEFAXECRSA-N 0 0 320.392 3.089 10 30 DGEERN O=C1OC[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 ZINC000142442008 186032811 /nfs/dbraw/zinc/03/28/11/186032811.db2.gz LXTWHOIAODISEK-GSVOUGTGSA-N 0 0 320.107 3.380 10 30 DGEERN COc1cccc([C@H]2CN(Cc3ccccc3C#N)CCO2)c1 ZINC000177901690 186201723 /nfs/dbraw/zinc/20/17/23/186201723.db2.gz YQRADVQWEMZAOG-LJQANCHMSA-N 0 0 308.381 3.140 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189977151 186257932 /nfs/dbraw/zinc/25/79/32/186257932.db2.gz NAGQRTCXBZMNEM-GXTWGEPZSA-N 0 0 302.374 3.099 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000172407406 198092445 /nfs/dbraw/zinc/09/24/45/198092445.db2.gz FEGYTLATFPQONC-UHFFFAOYSA-N 0 0 309.797 3.130 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C)C[C@H]2CCCO2)c1 ZINC000067320662 432029588 /nfs/dbraw/zinc/02/95/88/432029588.db2.gz YWAPXNAMICBUJS-MRXNPFEDSA-N 0 0 304.390 3.284 10 30 DGEERN C=CCOCCCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000173378034 198208183 /nfs/dbraw/zinc/20/81/83/198208183.db2.gz GTMQPTIQZXSMFZ-UHFFFAOYSA-N 0 0 316.376 3.175 10 30 DGEERN CCN(CCc1nccs1)C(=O)CCc1ccc(C#N)cc1 ZINC000131140313 432032923 /nfs/dbraw/zinc/03/29/23/432032923.db2.gz BZXUDQBOWBMUAT-UHFFFAOYSA-N 0 0 313.426 3.039 10 30 DGEERN CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000073189844 191289418 /nfs/dbraw/zinc/28/94/18/191289418.db2.gz MUNJVWGKHPMMLY-CABCVRRESA-N 0 0 300.402 3.220 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(Cl)ccc1OCCOC ZINC000176437021 198585787 /nfs/dbraw/zinc/58/57/87/198585787.db2.gz PFXFCMJYITZMLE-UHFFFAOYSA-N 0 0 311.809 3.403 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1cccc(C#N)c1C ZINC000179137344 432044889 /nfs/dbraw/zinc/04/48/89/432044889.db2.gz UVOJICWXXNNITK-UHFFFAOYSA-N 0 0 314.414 3.420 10 30 DGEERN N#Cc1cc(C(=O)N2CCSc3ccc(Cl)cc32)ccn1 ZINC000193479094 283089479 /nfs/dbraw/zinc/08/94/79/283089479.db2.gz HVCMUTVDELOCJH-UHFFFAOYSA-N 0 0 315.785 3.359 10 30 DGEERN N#Cc1cc(Br)cnc1N1CCCC2(CCC2)C1 ZINC000450490769 283087765 /nfs/dbraw/zinc/08/77/65/283087765.db2.gz MGLJGUQNDYCUED-UHFFFAOYSA-N 0 0 306.207 3.486 10 30 DGEERN COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1F ZINC000132250098 432047594 /nfs/dbraw/zinc/04/75/94/432047594.db2.gz HXDYNKPHVFATRG-UHFFFAOYSA-N 0 0 312.300 3.045 10 30 DGEERN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)C1CC1 ZINC000068050702 432050203 /nfs/dbraw/zinc/05/02/03/432050203.db2.gz ZPFGMAZQNWPLEO-UHFFFAOYSA-N 0 0 313.426 3.126 10 30 DGEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000005370542 181234976 /nfs/dbraw/zinc/23/49/76/181234976.db2.gz YAEXZEFAUOJNMM-XNTDXEJSSA-N 0 0 300.274 3.339 10 30 DGEERN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000005463934 181246818 /nfs/dbraw/zinc/24/68/18/181246818.db2.gz KBFMVJHKOBUUHQ-MHWRWJLKSA-N 0 0 301.302 3.145 10 30 DGEERN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005764691 181281609 /nfs/dbraw/zinc/28/16/09/181281609.db2.gz YNZHGDXIELHWHA-PXNMLYILSA-N 0 0 309.321 3.259 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000436007561 283225066 /nfs/dbraw/zinc/22/50/66/283225066.db2.gz NOCAQLJAUDDKRW-UHFFFAOYSA-N 0 0 308.728 3.407 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000179663460 432066654 /nfs/dbraw/zinc/06/66/54/432066654.db2.gz GBCDNCSFLZPUJZ-RHSMWYFYSA-N 0 0 320.820 3.084 10 30 DGEERN N#Cc1c(N)cccc1[S@@](=O)c1cccc(Br)c1 ZINC000005933064 181298120 /nfs/dbraw/zinc/29/81/20/181298120.db2.gz JNNOSSLVLGASPM-GOSISDBHSA-N 0 0 321.199 3.070 10 30 in-vivo DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCCC(=O)NC ZINC000276448755 212885817 /nfs/dbraw/zinc/88/58/17/212885817.db2.gz TWVDPZUTZZMELY-UHFFFAOYSA-N 0 0 317.433 3.186 10 30 DGEERN C=C(C)CN(C)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000180454466 432087480 /nfs/dbraw/zinc/08/74/80/432087480.db2.gz BACKXRKXUASGJU-HNNXBMFYSA-N 0 0 322.836 3.129 10 30 DGEERN COC(=O)CCCCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000188945956 200325903 /nfs/dbraw/zinc/32/59/03/200325903.db2.gz NHVTUCDRZPCJKX-UHFFFAOYSA-N 0 0 318.373 3.017 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000189821914 432093891 /nfs/dbraw/zinc/09/38/91/432093891.db2.gz HYEVKRSRRFRMLI-GOSISDBHSA-N 0 0 313.401 3.348 10 30 DGEERN Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C#N)ccn1 ZINC000436005106 238381951 /nfs/dbraw/zinc/38/19/51/238381951.db2.gz QMXRFFYXMOOQLC-UHFFFAOYSA-N 0 0 310.338 3.231 10 30 DGEERN CCC[C@@]1(COC)CCCN1C(=O)c1ccc(C#N)cc1C ZINC000192735010 200931251 /nfs/dbraw/zinc/93/12/51/200931251.db2.gz UZFXEVQOVSMIPQ-SFHVURJKSA-N 0 0 300.402 3.288 10 30 DGEERN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193310292 201026891 /nfs/dbraw/zinc/02/68/91/201026891.db2.gz WARCBDZCXQTVIW-ZBFHGGJFSA-N 0 0 305.381 3.280 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)ccn1 ZINC000193310056 201026984 /nfs/dbraw/zinc/02/69/84/201026984.db2.gz BOLPSTIILUJBOX-CRAIPNDOSA-N 0 0 305.381 3.094 10 30 DGEERN N#Cc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)ccn1 ZINC000193385243 201041990 /nfs/dbraw/zinc/04/19/90/201041990.db2.gz ZTIKYMHQNJGGMM-AWEZNQCLSA-N 0 0 323.421 3.208 10 30 DGEERN CC(C)(C)c1cc(NC(=O)c2ccnc(C#N)c2)c(C#N)s1 ZINC000193718929 201109581 /nfs/dbraw/zinc/10/95/81/201109581.db2.gz QBALKCVYTCLOBD-UHFFFAOYSA-N 0 0 310.382 3.436 10 30 DGEERN C=CCC1(C(=O)Nc2c[nH]cc(Br)c2=O)CCC1 ZINC000189844877 432096748 /nfs/dbraw/zinc/09/67/48/432096748.db2.gz ZXZOVBFGKNKDEQ-UHFFFAOYSA-N 0 0 311.179 3.235 10 30 DGEERN COc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1C#N ZINC000194506385 201240701 /nfs/dbraw/zinc/24/07/01/201240701.db2.gz CWYAIQBDUFVDTL-UONOGXRCSA-N 0 0 324.380 3.212 10 30 DGEERN CCc1cc(NC(=O)COc2ccc(C#N)cc2OC)ccc1C ZINC000180750105 432099223 /nfs/dbraw/zinc/09/92/23/432099223.db2.gz GHTNNLZCBCERCK-UHFFFAOYSA-N 0 0 324.380 3.455 10 30 DGEERN CO[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@@H]1C ZINC000189874786 432100290 /nfs/dbraw/zinc/10/02/90/432100290.db2.gz KIVAJIFZWQRUEJ-IINYFYTJSA-N 0 0 307.781 3.100 10 30 DGEERN O=C(C#Cc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000175961335 283735151 /nfs/dbraw/zinc/73/51/51/283735151.db2.gz CLAJDLPGSYRFIY-UHFFFAOYSA-N 0 0 300.361 3.104 10 30 DGEERN C=C(C)CN(CC)C(=O)C(=O)Nc1csc2ccccc12 ZINC000275383831 212300943 /nfs/dbraw/zinc/30/09/43/212300943.db2.gz FCMZDMHBVFCJBU-UHFFFAOYSA-N 0 0 302.399 3.264 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)CCCCC(=O)OC ZINC000275362887 212292613 /nfs/dbraw/zinc/29/26/13/212292613.db2.gz WSNQPEPVWFLTAA-UHFFFAOYSA-N 0 0 307.365 3.074 10 30 DGEERN CCOCCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101505 192988615 /nfs/dbraw/zinc/98/86/15/192988615.db2.gz HOTOYDMKQMGEQY-UHFFFAOYSA-N 0 0 308.381 3.268 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000077998521 283857208 /nfs/dbraw/zinc/85/72/08/283857208.db2.gz ZHYFJADKXARPIM-CYBMUJFWSA-N 0 0 319.364 3.456 10 30 DGEERN Cc1n[nH]c2cc(NC(=O)CSc3ccc(C#N)cc3)ccc12 ZINC000091835946 193115812 /nfs/dbraw/zinc/11/58/12/193115812.db2.gz JSESJUBPVMVYHM-UHFFFAOYSA-N 0 0 322.393 3.474 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000092008045 193140961 /nfs/dbraw/zinc/14/09/61/193140961.db2.gz FVTKWTDQRNJVKE-CYBMUJFWSA-N 0 0 324.355 3.050 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000451338875 241089814 /nfs/dbraw/zinc/08/98/14/241089814.db2.gz IKGKANGAYQNDSH-UKRRQHHQSA-N 0 0 311.360 3.102 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000451383227 241103301 /nfs/dbraw/zinc/10/33/01/241103301.db2.gz KAWXUYNFZILZBQ-OLZOCXBDSA-N 0 0 311.360 3.102 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CCCC1 ZINC000451388150 241104836 /nfs/dbraw/zinc/10/48/36/241104836.db2.gz JCRHETOOUQFSCK-TXPKVOOTSA-N 0 0 321.461 3.308 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCCCCc1ccc(Cl)s1 ZINC000451529119 241159092 /nfs/dbraw/zinc/15/90/92/241159092.db2.gz GKSFOPNKVAPKRX-UHFFFAOYSA-N 0 0 321.833 3.364 10 30 DGEERN COc1cc(CC(=O)NCC2CCC(C#N)CC2)ccc1Cl ZINC000451443845 241125536 /nfs/dbraw/zinc/12/55/36/241125536.db2.gz FSVBHTWILSRIFL-UHFFFAOYSA-N 0 0 320.820 3.337 10 30 DGEERN C=C(C)CCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000451806206 241242116 /nfs/dbraw/zinc/24/21/16/241242116.db2.gz ZQDPXXUJWZHIQN-UHFFFAOYSA-N 0 0 308.230 3.379 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000452144396 241329935 /nfs/dbraw/zinc/32/99/35/241329935.db2.gz GEPZIWBTPOUATD-QGZVFWFLSA-N 0 0 305.381 3.264 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1cc(C2C(C)(C)C2(C)C)[nH]n1 ZINC000452165049 241335776 /nfs/dbraw/zinc/33/57/76/241335776.db2.gz PHCYKGSGMODTST-UHFFFAOYSA-N 0 0 311.389 3.022 10 30 DGEERN CC#CCN(C)C(=O)c1c(Cl)cc(F)cc1Br ZINC000452551355 241448808 /nfs/dbraw/zinc/44/88/08/241448808.db2.gz ILUCMDRQKUVVQX-UHFFFAOYSA-N 0 0 318.573 3.337 10 30 DGEERN CC1CCN(c2cccc(NC(=O)c3cc(C#N)cn3C)c2)CC1 ZINC000081547843 283920170 /nfs/dbraw/zinc/92/01/70/283920170.db2.gz XRKPKBPLMVTHCZ-UHFFFAOYSA-N 0 0 322.412 3.385 10 30 DGEERN C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](COC)CC1 ZINC000453458853 241794161 /nfs/dbraw/zinc/79/41/61/241794161.db2.gz BFCBZIFFVZUANW-INIZCTEOSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCSCCNC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454446602 241953448 /nfs/dbraw/zinc/95/34/48/241953448.db2.gz XMZHMEONQMLCJR-CQSZACIVSA-N 0 0 306.431 3.435 10 30 DGEERN C[C@H](SCc1nsc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000089603802 283953765 /nfs/dbraw/zinc/95/37/65/283953765.db2.gz BPHBHTOYZFWIQI-JTQLQIEISA-N 0 0 304.444 3.470 10 30 DGEERN C=C(CC)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000455152695 242120805 /nfs/dbraw/zinc/12/08/05/242120805.db2.gz XJWAOPOUEHQRKL-UHFFFAOYSA-N 0 0 301.390 3.073 10 30 DGEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H]1c1ccco1 ZINC000246509610 283957582 /nfs/dbraw/zinc/95/75/82/283957582.db2.gz QNRHGEUXFUTSLP-DOTOQJQBSA-N 0 0 310.353 3.202 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCc1nnc(C2CC2)[nH]1 ZINC000455388957 242187100 /nfs/dbraw/zinc/18/71/00/242187100.db2.gz VRMQQFSFYSYDHT-UHFFFAOYSA-N 0 0 311.389 3.122 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000455423121 242196302 /nfs/dbraw/zinc/19/63/02/242196302.db2.gz LJEJASBQGGXRPO-ZIFCJYIRSA-N 0 0 314.429 3.093 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCc1cnc(CC)o1 ZINC000455475474 242210138 /nfs/dbraw/zinc/21/01/38/242210138.db2.gz IQKVYKBAGMQGCQ-UHFFFAOYSA-N 0 0 305.403 3.196 10 30 DGEERN C[C@H]1CN(C)c2ccccc2N(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246264522 432113046 /nfs/dbraw/zinc/11/30/46/432113046.db2.gz AXPZDMPEBCERTK-MGPUTAFESA-N 0 0 321.424 3.184 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000455525900 242225705 /nfs/dbraw/zinc/22/57/05/242225705.db2.gz SAOURUGGFLYRTE-MRXNPFEDSA-N 0 0 302.418 3.378 10 30 DGEERN CCCCNC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135338332 432113745 /nfs/dbraw/zinc/11/37/45/432113745.db2.gz DGPVOJMQZKEEGI-GFCCVEGCSA-N 0 0 306.431 3.105 10 30 DGEERN COc1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccc1O ZINC000456031154 242332730 /nfs/dbraw/zinc/33/27/30/242332730.db2.gz HGQXYNFJYMVRJM-UHFFFAOYSA-N 0 0 324.380 3.480 10 30 DGEERN COc1ccc(CS[C@@H](C)C(=O)NCCC(C)C)cc1C#N ZINC000135342212 432114015 /nfs/dbraw/zinc/11/40/15/432114015.db2.gz BDSLKSIALCQECZ-ZDUSSCGKSA-N 0 0 320.458 3.351 10 30 DGEERN C=CCC1(CNC(=O)c2ccnn2CC(F)(F)F)CCCC1 ZINC000456512466 242477092 /nfs/dbraw/zinc/47/70/92/242477092.db2.gz USGAPKJMOWYKIP-UHFFFAOYSA-N 0 0 315.339 3.312 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CC2)cc1OC ZINC000456887502 242592384 /nfs/dbraw/zinc/59/23/84/242592384.db2.gz VAWHIQONPHEQLP-GJZGRUSLSA-N 0 0 301.386 3.036 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2CCCC(F)(F)C2)cc1F ZINC000458557859 243089683 /nfs/dbraw/zinc/08/96/83/243089683.db2.gz LVVIXPQYXUVCFC-LBPRGKRZSA-N 0 0 311.307 3.074 10 30 DGEERN C=CCCOCCNC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000458604680 243101237 /nfs/dbraw/zinc/10/12/37/243101237.db2.gz WAUUZWFIBPPESM-UHFFFAOYSA-N 0 0 308.809 3.042 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000458623337 243106801 /nfs/dbraw/zinc/10/68/01/243106801.db2.gz QPDGAAQLNSZLKJ-HNNXBMFYSA-N 0 0 308.466 3.458 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458833494 243172940 /nfs/dbraw/zinc/17/29/40/243172940.db2.gz IXKQZNWQNRJOCO-SJORKVTESA-N 0 0 315.417 3.048 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC([C@H](C)O)CC1)c1ccccc1 ZINC000275166985 212164998 /nfs/dbraw/zinc/16/49/98/212164998.db2.gz RSDBPGIYUQARJZ-MAUKXSAKSA-N 0 0 301.430 3.356 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000458894455 243191672 /nfs/dbraw/zinc/19/16/72/243191672.db2.gz YOLMPHVZYAOLAF-INIZCTEOSA-N 0 0 306.381 3.047 10 30 DGEERN N#Cc1ccc2c(c1)N(C(=O)Cc1ccc(Cl)c(F)c1)CC2 ZINC000468379923 244038063 /nfs/dbraw/zinc/03/80/63/244038063.db2.gz RPNQMRBWBDMLHL-UHFFFAOYSA-N 0 0 314.747 3.483 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1csc(C)n1)OCC ZINC000275083843 212112341 /nfs/dbraw/zinc/11/23/41/212112341.db2.gz OQFPZINHAQIBCW-CABCVRRESA-N 0 0 308.447 3.486 10 30 DGEERN C=CC1CCN(C(=O)NCCc2ccc(OC)cc2Cl)CC1 ZINC000472299535 244296196 /nfs/dbraw/zinc/29/61/96/244296196.db2.gz ZQPINXOZUWVFBM-UHFFFAOYSA-N 0 0 322.836 3.499 10 30 DGEERN Cc1cccc([C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)n1 ZINC000093453326 193253632 /nfs/dbraw/zinc/25/36/32/193253632.db2.gz IUEBKYXEUZLZMX-GOSISDBHSA-N 0 0 317.396 3.247 10 30 DGEERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093889192 193324137 /nfs/dbraw/zinc/32/41/37/193324137.db2.gz GLVPSEMQBMBZAE-XUSGNXJCSA-N 0 0 302.399 3.082 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000120777195 284177992 /nfs/dbraw/zinc/17/79/92/284177992.db2.gz YGSOAAUEDUXPOW-UHFFFAOYSA-N 0 0 319.364 3.028 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1ccc(F)cc1C ZINC000487956420 245128597 /nfs/dbraw/zinc/12/85/97/245128597.db2.gz LLZZXMSRLMNITO-HNNXBMFYSA-N 0 0 304.409 3.155 10 30 DGEERN N#C[C@@H](NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000181340536 432123207 /nfs/dbraw/zinc/12/32/07/432123207.db2.gz XXVOUAGFJJTXQO-GFCCVEGCSA-N 0 0 319.336 3.120 10 30 DGEERN N#Cc1ccc(SCC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000488970901 245254969 /nfs/dbraw/zinc/25/49/69/245254969.db2.gz CRVCTYKFGLXYRP-LBPRGKRZSA-N 0 0 310.369 3.344 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1COc2ccc(Cl)cc21 ZINC000489713657 245337083 /nfs/dbraw/zinc/33/70/83/245337083.db2.gz ATSCPDFVMOEJTI-XJKSGUPXSA-N 0 0 306.793 3.261 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000125275173 284272553 /nfs/dbraw/zinc/27/25/53/284272553.db2.gz SPKBLSHKJZQDIZ-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000125607280 284279436 /nfs/dbraw/zinc/27/94/36/284279436.db2.gz DCQHDYZQZVHRDU-GFCCVEGCSA-N 0 0 310.328 3.434 10 30 DGEERN COc1cc(CN2CCC=C(Br)C2)ccc1C#N ZINC000282512383 217052925 /nfs/dbraw/zinc/05/29/25/217052925.db2.gz ZBXHATUXBKYZAK-UHFFFAOYSA-N 0 0 307.191 3.051 10 30 DGEERN COc1ccc(/N=C/c2cc(OC)cc(OC)c2)c(OC)c1 ZINC000013471770 181853333 /nfs/dbraw/zinc/85/33/33/181853333.db2.gz BFUXYRJXGFNLEW-WOJGMQOQSA-N 0 0 301.342 3.472 10 30 DGEERN CO[C@H](CNC(=O)c1ccc(C#N)cc1C)c1ccc(F)cc1 ZINC000126796560 284316987 /nfs/dbraw/zinc/31/69/87/284316987.db2.gz ROIXIGNVHQLIKK-QGZVFWFLSA-N 0 0 312.344 3.123 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000135108034 335019343 /nfs/dbraw/zinc/01/93/43/335019343.db2.gz PLDZQXFOOSJFLD-AWEZNQCLSA-N 0 0 320.458 3.167 10 30 DGEERN C=CCCCN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000135091970 335019347 /nfs/dbraw/zinc/01/93/47/335019347.db2.gz NBHMBRRREUNWDC-UHFFFAOYSA-N 0 0 309.413 3.399 10 30 DGEERN O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CCCC1 ZINC000016524166 182048482 /nfs/dbraw/zinc/04/84/82/182048482.db2.gz YZGLYWIWTNSCFP-UZYVYHOESA-N 0 0 323.371 3.346 10 30 DGEERN C=C(Cl)CNC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000266464241 205366328 /nfs/dbraw/zinc/36/63/28/205366328.db2.gz FBNXBYNKGDNKTH-FZMZJTMJSA-N 0 0 312.772 3.050 10 30 DGEERN CCN1C(=O)/C(=C/c2ccc[nH]2)S/C1=N\c1cccc(O)c1 ZINC000016904335 182063733 /nfs/dbraw/zinc/06/37/33/182063733.db2.gz XTGLAGMNPKVFCX-FEGCFHEDSA-N 0 0 313.382 3.344 10 30 DGEERN CCOc1ccc(S(=O)(=O)/N=C(\Cl)c2ccccc2)cc1 ZINC000018029439 182089811 /nfs/dbraw/zinc/08/98/11/182089811.db2.gz SXNWIYKPSXCVMK-ICFOKQHNSA-N 0 0 323.801 3.460 10 30 DGEERN O=c1[nH]ncc(NN=Cc2cccc(Cl)c2Cl)c1Cl ZINC000018889093 182102436 /nfs/dbraw/zinc/10/24/36/182102436.db2.gz JQLDJNPALNCPHE-SYZQJQIISA-N 0 0 317.563 3.176 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cccc(F)c1 ZINC000021977728 182301765 /nfs/dbraw/zinc/30/17/65/182301765.db2.gz RXTUTDBSZWHXQX-CYBMUJFWSA-N 0 0 312.344 3.123 10 30 DGEERN N#Cc1ccc(CCC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000024699972 182388376 /nfs/dbraw/zinc/38/83/76/182388376.db2.gz AFKGHKCTIDRAIR-KRWDZBQOSA-N 0 0 306.365 3.131 10 30 DGEERN C#CCn1c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000040249936 183049334 /nfs/dbraw/zinc/04/93/34/183049334.db2.gz FUINYXNZHGNIQE-UHFFFAOYSA-N 0 0 322.364 3.362 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCN(C)c2ccc(F)cc21 ZINC000124939733 291669481 /nfs/dbraw/zinc/66/94/81/291669481.db2.gz RWTAQDTZZBTGBK-UHFFFAOYSA-N 0 0 323.371 3.493 10 30 DGEERN C#CCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21 ZINC000040276207 183050786 /nfs/dbraw/zinc/05/07/86/183050786.db2.gz HPLJRSXDYVJWKY-UHFFFAOYSA-N 0 0 317.392 3.216 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)Nc2ccc(F)cc2)no1 ZINC000274314610 211505905 /nfs/dbraw/zinc/50/59/05/211505905.db2.gz GYPIYQLGDGZVSJ-NSHDSACASA-N 0 0 303.337 3.460 10 30 DGEERN C=CCNc1ncnc(Nc2cc(C)ccc2OC)c1[N+](=O)[O-] ZINC000040583876 183104923 /nfs/dbraw/zinc/10/49/23/183104923.db2.gz LWFYRWDWUPETFN-UHFFFAOYSA-N 0 0 315.333 3.043 10 30 DGEERN CCCCCCCCc1ccc(CC[C@@]([NH3+])(CO)C(=O)[O-])cc1 ZINC000043307813 183353705 /nfs/dbraw/zinc/35/37/05/183353705.db2.gz TVWGFFRIQKHMCB-LJQANCHMSA-N 0 0 321.461 3.297 10 30 DGEERN N#Cc1ccc(NC[C@@H]2COc3ccccc3O2)cc1Cl ZINC000110676786 194348800 /nfs/dbraw/zinc/34/88/00/194348800.db2.gz GTFFOVKZMZYUHA-CYBMUJFWSA-N 0 0 300.745 3.464 10 30 DGEERN CN(C[C@@H]1CC=CCC1)c1nnc(-c2ccc(C#N)cc2)n1C ZINC000508591636 269689915 /nfs/dbraw/zinc/68/99/15/269689915.db2.gz KAUXVLRVQLLEPX-OAHLLOKOSA-N 0 0 307.401 3.146 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000043165223 269690235 /nfs/dbraw/zinc/69/02/35/269690235.db2.gz ZXXCALPJUKABFY-KRWDZBQOSA-N 0 0 321.380 3.223 10 30 DGEERN CC(C)COC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000056345927 184010980 /nfs/dbraw/zinc/01/09/80/184010980.db2.gz XQRGRHILZMKZTM-UHFFFAOYSA-N 0 0 301.390 3.227 10 30 DGEERN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)C[C@@H](C)C#N ZINC000477762024 291776867 /nfs/dbraw/zinc/77/68/67/291776867.db2.gz HASMMMIZQRQGJB-ZANVPECISA-N 0 0 315.200 3.299 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)Cc1cnc2ccccc2c1 ZINC000118768078 194921853 /nfs/dbraw/zinc/92/18/53/194921853.db2.gz FXJUJYKOQSCOQN-UHFFFAOYSA-N 0 0 315.376 3.308 10 30 DGEERN COc1cc(OC(=O)C[C@@H]2CCOc3ccccc32)ccc1C#N ZINC000195168256 207648669 /nfs/dbraw/zinc/64/86/69/207648669.db2.gz VHSJPJZKRXIPAY-ZDUSSCGKSA-N 0 0 323.348 3.429 10 30 DGEERN Cc1csc([C@H]2CN(Cc3cc(F)ccc3C#N)CCO2)n1 ZINC000159171011 197332954 /nfs/dbraw/zinc/33/29/54/197332954.db2.gz FWYSFQAYECFBRW-OAHLLOKOSA-N 0 0 317.389 3.036 10 30 DGEERN CCCC(=O)N[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000158040465 197237878 /nfs/dbraw/zinc/23/78/78/197237878.db2.gz NAXLENSKTRUJJU-QGZVFWFLSA-N 0 0 318.848 3.072 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000157771169 197214348 /nfs/dbraw/zinc/21/43/48/197214348.db2.gz GBURRXZTQXZDKM-HNNXBMFYSA-N 0 0 302.374 3.332 10 30 DGEERN CC(=O)c1ccc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc1 ZINC000271347743 208834382 /nfs/dbraw/zinc/83/43/82/208834382.db2.gz SMCSRSVVULZXDL-UHFFFAOYSA-N 0 0 321.380 3.204 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)Nc2scc(C)c2C#N)cc1 ZINC000344929813 254316931 /nfs/dbraw/zinc/31/69/31/254316931.db2.gz PCOYONUPLKDXNM-UHFFFAOYSA-N 0 0 313.382 3.163 10 30 DGEERN C[C@@H](C#N)N(C)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000297787589 533156737 /nfs/dbraw/zinc/15/67/37/533156737.db2.gz JHUAYJSHMIVENF-QWRGUYRKSA-N 0 0 309.207 3.313 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1cc(F)ccc1Br ZINC000155332489 197045164 /nfs/dbraw/zinc/04/51/64/197045164.db2.gz CAFZOKNCFPKYSK-VIFPVBQESA-N 0 0 317.154 3.475 10 30 DGEERN COc1ccc([C@H](NC(=O)c2ccc(C#N)n2C)C(C)C)cc1 ZINC000448626630 533192428 /nfs/dbraw/zinc/19/24/28/533192428.db2.gz BLQVYWKZMISRJX-QGZVFWFLSA-N 0 0 311.385 3.032 10 30 DGEERN C[C@]12CC[C@@H]3[C@H](C[C@]4(CO4)C4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000503943458 257151580 /nfs/dbraw/zinc/15/15/80/257151580.db2.gz GFNJDRLFFJDJAC-YMTVXDNUSA-N 0 0 312.409 3.242 10 30 DGEERN COC(=O)[C@H](Nc1ccc2oc(C)nc2c1)c1cccc(C#N)c1 ZINC000176710506 533358395 /nfs/dbraw/zinc/35/83/95/533358395.db2.gz VCPRTEPVNQOUJY-QGZVFWFLSA-N 0 0 321.336 3.334 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456939906 533533065 /nfs/dbraw/zinc/53/30/65/533533065.db2.gz RIIOJFUJYVQRBS-GFCCVEGCSA-N 0 0 306.372 3.074 10 30 DGEERN COc1cc(C)c(C(=O)N(C)c2ccc(C#N)cc2)cc1OC ZINC000440045797 533566027 /nfs/dbraw/zinc/56/60/27/533566027.db2.gz AJKMRDDBZVCTKV-UHFFFAOYSA-N 0 0 310.353 3.161 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccccc1-n1cccn1 ZINC000581378244 400079599 /nfs/dbraw/zinc/07/95/99/400079599.db2.gz CNGQZIOAEIFVRK-UHFFFAOYSA-N 0 0 312.417 3.418 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1cc(CO)ccc1F ZINC000600634925 400116760 /nfs/dbraw/zinc/11/67/60/400116760.db2.gz LCKJTFCGJXRESI-CYBMUJFWSA-N 0 0 323.433 3.140 10 30 DGEERN CCCCO[C@H]1C[C@@H](N(C)c2nc(C)cc(C#N)n2)C1(C)C ZINC000587990546 400177238 /nfs/dbraw/zinc/17/72/38/400177238.db2.gz ZTDYYTMSLQBMBP-CABCVRRESA-N 0 0 302.422 3.077 10 30 DGEERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)NCC(F)(F)F)CCO2 ZINC000328607728 400182692 /nfs/dbraw/zinc/18/26/92/400182692.db2.gz WUPNJZMKQWGBGI-BXUZGUMPSA-N 0 0 315.291 3.254 10 30 DGEERN C[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccsc1 ZINC000328619090 400182725 /nfs/dbraw/zinc/18/27/25/400182725.db2.gz FJUMEKAVGDTTFZ-TUKIKUTGSA-N 0 0 319.430 3.319 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)C1(C#N)CCOCC1 ZINC000328627983 400182855 /nfs/dbraw/zinc/18/28/55/400182855.db2.gz NGPGGVCMVFMTHI-GFCCVEGCSA-N 0 0 319.430 3.148 10 30 DGEERN CCc1nnsc1C(=O)NC[C@@H]1CCCc2sc(C)nc21 ZINC000328636423 400183704 /nfs/dbraw/zinc/18/37/04/400183704.db2.gz VLOLTCAGQMBXTO-VIFPVBQESA-N 0 0 322.459 3.290 10 30 DGEERN C=CCN(C)c1c(Br)cncc1Br ZINC000306882774 400126996 /nfs/dbraw/zinc/12/69/96/400126996.db2.gz NVPSFHYJVFHWFZ-UHFFFAOYSA-N 0 0 306.001 3.229 10 30 DGEERN C[C@H](O)C(C)(C)Nc1cc(Br)c(C#N)cc1F ZINC000310281465 400132974 /nfs/dbraw/zinc/13/29/74/400132974.db2.gz HMOFYTWBRKBQNK-ZETCQYMHSA-N 0 0 301.159 3.031 10 30 DGEERN C[N@H+](CC(=O)NC1(C#N)CCCCC1)C(C)(C)c1ccccc1 ZINC000585754706 400138052 /nfs/dbraw/zinc/13/80/52/400138052.db2.gz VLOSTUBEFZPMBA-UHFFFAOYSA-N 0 0 313.445 3.196 10 30 DGEERN N#Cc1ccc(CNC(=O)CCc2nc3ccccc3o2)c(F)c1 ZINC000609229066 400153085 /nfs/dbraw/zinc/15/30/85/400153085.db2.gz SNHZBCKFVPNIGP-UHFFFAOYSA-N 0 0 323.327 3.088 10 30 DGEERN CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000609239907 400154017 /nfs/dbraw/zinc/15/40/17/400154017.db2.gz FKZTWDXAEINVIP-XJKSGUPXSA-N 0 0 303.381 3.465 10 30 DGEERN Cc1ccc(CNC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000609239493 400154444 /nfs/dbraw/zinc/15/44/44/400154444.db2.gz QCUYZEKUOBWIGF-UHFFFAOYSA-N 0 0 303.362 3.067 10 30 DGEERN CC(C)(C(=O)Nc1ccc2nccn2c1)c1cc(F)cc(C#N)c1 ZINC000586779789 400154778 /nfs/dbraw/zinc/15/47/78/400154778.db2.gz UVRLRXSOVSASFM-UHFFFAOYSA-N 0 0 322.343 3.261 10 30 DGEERN CCOc1cccc(NC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609253637 400155847 /nfs/dbraw/zinc/15/58/47/400155847.db2.gz QLISPTZYWAFYAK-UHFFFAOYSA-N 0 0 313.332 3.418 10 30 DGEERN C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000014484689 400157002 /nfs/dbraw/zinc/15/70/02/400157002.db2.gz WHAIGJKKISYNDQ-CYBMUJFWSA-N 0 0 322.364 3.097 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(F)F)ccc1F ZINC000616538932 400171163 /nfs/dbraw/zinc/17/11/63/400171163.db2.gz NAVYEJMPOGNVKP-ZDUSSCGKSA-N 0 0 314.307 3.173 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2cnc(OCCCOC)cn2)no1 ZINC000350462262 400219182 /nfs/dbraw/zinc/21/91/82/400219182.db2.gz PURQWIFAZOCLLQ-GFCCVEGCSA-N 0 0 318.377 3.012 10 30 DGEERN C=CCSCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601019330 400205206 /nfs/dbraw/zinc/20/52/06/400205206.db2.gz HMRGGVJLBWWXSN-UHFFFAOYSA-N 0 0 320.414 3.052 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610521474 400270060 /nfs/dbraw/zinc/27/00/60/400270060.db2.gz VMKIFBLEQIJVMX-LJQANCHMSA-N 0 0 320.392 3.091 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccccc2N2CCCC2)c1 ZINC000610520436 400270514 /nfs/dbraw/zinc/27/05/14/400270514.db2.gz IAXNGNDCRFAFTK-UHFFFAOYSA-N 0 0 319.408 3.017 10 30 DGEERN C=CCN(Cc1oc(C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000589252432 400281281 /nfs/dbraw/zinc/28/12/81/400281281.db2.gz KOYCZPPRXNMIHP-UHFFFAOYSA-N 0 0 301.346 3.388 10 30 DGEERN CC(C)(C(=O)NCc1ccc(C#N)cc1F)c1ccccc1F ZINC000105586035 400322938 /nfs/dbraw/zinc/32/29/38/400322938.db2.gz QQDLTBCDSMUACQ-UHFFFAOYSA-N 0 0 314.335 3.430 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OC ZINC000617035586 400286697 /nfs/dbraw/zinc/28/66/97/400286697.db2.gz PCBWZNUUIDUIMO-GJZGRUSLSA-N 0 0 303.402 3.325 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1cccs1 ZINC000617034503 400286985 /nfs/dbraw/zinc/28/69/85/400286985.db2.gz AASSFWADUUXYPB-UONOGXRCSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(N)=O)cc1 ZINC000617036691 400287681 /nfs/dbraw/zinc/28/76/81/400287681.db2.gz DAWYMADAVXUNQA-WFASDCNBSA-N 0 0 301.390 3.042 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000617035805 400288178 /nfs/dbraw/zinc/28/81/78/400288178.db2.gz SPHVHJLTZJINAQ-RYUDHWBXSA-N 0 0 315.339 3.153 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCNC(=O)C(C)(C)C ZINC000617038019 400289115 /nfs/dbraw/zinc/28/91/15/400289115.db2.gz UHBZNOGWGVQKDM-CABCVRRESA-N 0 0 308.466 3.180 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000617039037 400289148 /nfs/dbraw/zinc/28/91/48/400289148.db2.gz BCVUDJHQISWQGN-RDTXWAMCSA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCCOc1cccnc1 ZINC000617039942 400289242 /nfs/dbraw/zinc/28/92/42/400289242.db2.gz NMCKQFZCRHHVOX-DOTOQJQBSA-N 0 0 302.418 3.492 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccccn2)c1C ZINC000617038262 400289373 /nfs/dbraw/zinc/28/93/73/400289373.db2.gz VSPWOUQXNRQEKT-NVXWUHKLSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnc(-n2cccn2)c1 ZINC000617040535 400289832 /nfs/dbraw/zinc/28/98/32/400289832.db2.gz VRDBDCHOQQWIMG-GOEBONIOSA-N 0 0 310.401 3.132 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000610683729 400290590 /nfs/dbraw/zinc/29/05/90/400290590.db2.gz SDENKVBBZAJFSC-UHFFFAOYSA-N 0 0 306.699 3.420 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cn(C2CC2)c(C)cc1=O ZINC000617042321 400291307 /nfs/dbraw/zinc/29/13/07/400291307.db2.gz QBRDZJALWQEOPM-WMLDXEAASA-N 0 0 314.429 3.356 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000617041998 400291543 /nfs/dbraw/zinc/29/15/43/400291543.db2.gz LVVVMEQTQRQVLW-IIAWOOMASA-N 0 0 301.434 3.091 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCCC2)on1 ZINC000617044658 400292247 /nfs/dbraw/zinc/29/22/47/400292247.db2.gz QIZYEUCFNAIDBT-HOCLYGCPSA-N 0 0 317.433 3.135 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C1CCOCC1 ZINC000617045330 400292478 /nfs/dbraw/zinc/29/24/78/400292478.db2.gz ZFQUZEIFMUPWJZ-GDBMZVCRSA-N 0 0 317.433 3.099 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnn1C1CCOCC1 ZINC000617045331 400292502 /nfs/dbraw/zinc/29/25/02/400292502.db2.gz ZFQUZEIFMUPWJZ-GOEBONIOSA-N 0 0 317.433 3.099 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C1(C(C)C)CC1 ZINC000601321995 400292495 /nfs/dbraw/zinc/29/24/95/400292495.db2.gz WMLJAETWSMELHQ-UHFFFAOYSA-N 0 0 318.442 3.065 10 30 DGEERN C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000069094123 400309973 /nfs/dbraw/zinc/30/99/73/400309973.db2.gz VFRZCVMYFLVVON-JTQLQIEISA-N 0 0 324.789 3.186 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCC1(SC)CCOCC1 ZINC000601598826 400314916 /nfs/dbraw/zinc/31/49/16/400314916.db2.gz LTVQJCOHVSLDMU-UHFFFAOYSA-N 0 0 314.495 3.190 10 30 DGEERN C[C@@H](NC(=O)N[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 ZINC000610884596 400320947 /nfs/dbraw/zinc/32/09/47/400320947.db2.gz BZPDLTLFJLMHCG-BXUZGUMPSA-N 0 0 307.344 3.496 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)CC2(C#N)CC2)cc1)[C@@H]1C[C@H]1C ZINC000590530356 400394533 /nfs/dbraw/zinc/39/45/33/400394533.db2.gz VWAZEJCBNCTVEG-MLGOLLRUSA-N 0 0 311.385 3.080 10 30 DGEERN C=CCCC1(CNC(=O)c2ncn(C(C)(C)C)n2)CCCC1 ZINC000617418068 400385143 /nfs/dbraw/zinc/38/51/43/400385143.db2.gz RCFUNVCQUVNHNW-UHFFFAOYSA-N 0 0 304.438 3.290 10 30 DGEERN COC(=O)C[C@H](CCc1ccc(N)cc1)c1cccc(C#N)c1 ZINC000034465183 400385273 /nfs/dbraw/zinc/38/52/73/400385273.db2.gz PSNAFCBXGKDVRA-KRWDZBQOSA-N 0 0 308.381 3.420 10 30 DGEERN C=CCCC1(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)CCCC1 ZINC000617417985 400385427 /nfs/dbraw/zinc/38/54/27/400385427.db2.gz OMPPWVOUWVTMCJ-HOTGVXAUSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCCC1(CNC(=O)c2cnc3c(cnn3C)c2)CCCC1 ZINC000617416994 400385452 /nfs/dbraw/zinc/38/54/52/400385452.db2.gz HGFJFQHPOHUIGW-UHFFFAOYSA-N 0 0 312.417 3.225 10 30 DGEERN C=CCCC1(CNC(=O)CCCCc2c[nH]nn2)CCCC1 ZINC000617416906 400385565 /nfs/dbraw/zinc/38/55/65/400385565.db2.gz CHALXWMGAGEAMH-UHFFFAOYSA-N 0 0 304.438 3.160 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000578246540 400326584 /nfs/dbraw/zinc/32/65/84/400326584.db2.gz VGHRWWQTTQHFFX-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000069468031 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C=CCCn1cc(C[S@](=O)CCCCc2ccccc2)nn1 ZINC000593941157 400923529 /nfs/dbraw/zinc/92/35/29/400923529.db2.gz NUWBXHWWINDHNJ-JOCHJYFZSA-N 0 0 317.458 3.126 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C)OCC ZINC000619918119 400923723 /nfs/dbraw/zinc/92/37/23/400923723.db2.gz BHNHBHRLJYJQHI-UHOSZYNNSA-N 0 0 319.445 3.232 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000619920031 400924960 /nfs/dbraw/zinc/92/49/60/400924960.db2.gz WAKPXTLCQNWOLJ-YQVWRLOYSA-N 0 0 319.445 3.090 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000614728960 400936298 /nfs/dbraw/zinc/93/62/98/400936298.db2.gz LYBRNSUSRHAQLA-SJORKVTESA-N 0 0 319.449 3.184 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000633511398 400980802 /nfs/dbraw/zinc/98/08/02/400980802.db2.gz OENRHBRVHBJFCA-LLVKDONJSA-N 0 0 303.362 3.202 10 30 DGEERN C=CCCC(C)(C)NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000620856825 400997117 /nfs/dbraw/zinc/99/71/17/400997117.db2.gz 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401597827 /nfs/dbraw/zinc/59/78/27/401597827.db2.gz SJUYHPQWCATJEN-UHFFFAOYSA-N 0 0 318.364 3.358 10 30 DGEERN C=CCOc1c(Cl)cc(CN2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000628176954 401542258 /nfs/dbraw/zinc/54/22/58/401542258.db2.gz DZRCDGDBZWZOKR-OKILXGFUSA-N 0 0 323.820 3.277 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C1 ZINC000631745136 401548405 /nfs/dbraw/zinc/54/84/05/401548405.db2.gz YFUOKLVWFBADHG-UHFFFAOYSA-N 0 0 308.381 3.191 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2ccc(OC)c(OCC)c2)C1 ZINC000623612744 401556217 /nfs/dbraw/zinc/55/62/17/401556217.db2.gz IYMJMBYMCGNWJY-AWEZNQCLSA-N 0 0 318.417 3.202 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cn2ccc(C)cc2n1 ZINC000623630463 401559085 /nfs/dbraw/zinc/55/90/85/401559085.db2.gz IFOKKQHLDLACNC-UHFFFAOYSA-N 0 0 300.406 3.044 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000633055023 401647608 /nfs/dbraw/zinc/64/76/08/401647608.db2.gz AUHOUDUXPGVLNV-ZDUSSCGKSA-N 0 0 320.481 3.260 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCC(=O)CC(C)(C)C2)cc1 ZINC000628680357 401625891 /nfs/dbraw/zinc/62/58/91/401625891.db2.gz KYEUITDSNHTISH-UHFFFAOYSA-N 0 0 315.413 3.012 10 30 DGEERN C=CCCCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632797693 401626720 /nfs/dbraw/zinc/62/67/20/401626720.db2.gz LQBCVPYHGBTRLH-UHFFFAOYSA-N 0 0 306.353 3.263 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000632840861 401630794 /nfs/dbraw/zinc/63/07/94/401630794.db2.gz NBYLZPSPQVSIAL-RCBQFDQVSA-N 0 0 305.805 3.077 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000632846144 401631348 /nfs/dbraw/zinc/63/13/48/401631348.db2.gz DLXRIJLPEJYVCV-ZDUSSCGKSA-N 0 0 315.421 3.082 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000624162668 401633790 /nfs/dbraw/zinc/63/37/90/401633790.db2.gz HTMJOXIYIZUMIJ-HOTGVXAUSA-N 0 0 317.433 3.203 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)Cc2cc(F)cc(OC)c2)C1 ZINC000624181994 401635627 /nfs/dbraw/zinc/63/56/27/401635627.db2.gz LRFZWCXHNYGDEH-UONOGXRCSA-N 0 0 320.408 3.373 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000624202737 401638037 /nfs/dbraw/zinc/63/80/37/401638037.db2.gz JIAMZJSOKXHMMN-AWEZNQCLSA-N 0 0 301.434 3.487 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633020730 401646348 /nfs/dbraw/zinc/64/63/48/401646348.db2.gz SGXRMRLTHUSNIP-GWCFXTLKSA-N 0 0 316.323 3.003 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000628483937 401606230 /nfs/dbraw/zinc/60/62/30/401606230.db2.gz ALHYUJOZJZVLDX-GXTWGEPZSA-N 0 0 305.805 3.316 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000628484742 401606384 /nfs/dbraw/zinc/60/63/84/401606384.db2.gz UGUQCQOMHHOINL-QAPCUYQASA-N 0 0 315.413 3.283 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000628484743 401606388 /nfs/dbraw/zinc/60/63/88/401606388.db2.gz UGUQCQOMHHOINL-YJBOKZPZSA-N 0 0 315.413 3.283 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(F)c(COCCOC)c2)C1 ZINC000628487522 401606591 /nfs/dbraw/zinc/60/65/91/401606591.db2.gz HQBUIGVEDSWYCL-AWEZNQCLSA-N 0 0 321.392 3.027 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000628486443 401606764 /nfs/dbraw/zinc/60/67/64/401606764.db2.gz IPWPOOIAIBVWPI-AWEZNQCLSA-N 0 0 315.417 3.255 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(OC)c(OC(F)F)c2)C1 ZINC000628485757 401606817 /nfs/dbraw/zinc/60/68/17/401606817.db2.gz SGEFNEMNYZLMHG-NSHDSACASA-N 0 0 311.328 3.335 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2nc(SC)n3ccccc23)C1 ZINC000628486202 401606858 /nfs/dbraw/zinc/60/68/58/401606858.db2.gz CXELARXMPCZBQF-LBPRGKRZSA-N 0 0 301.415 3.094 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C1 ZINC000628489441 401607114 /nfs/dbraw/zinc/60/71/14/401607114.db2.gz WNTZKWABKVLFPG-LBPRGKRZSA-N 0 0 317.339 3.189 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C1 ZINC000628488309 401607131 /nfs/dbraw/zinc/60/71/31/401607131.db2.gz WMIIXPGTXOTJJX-LLVKDONJSA-N 0 0 300.333 3.118 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OCCCOC)cc2)C1 ZINC000628488908 401607219 /nfs/dbraw/zinc/60/72/19/401607219.db2.gz KTPONOWJHFJYMK-OAHLLOKOSA-N 0 0 303.402 3.140 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000628489507 401607359 /nfs/dbraw/zinc/60/73/59/401607359.db2.gz XWVCPZHRTWYBNX-LBPRGKRZSA-N 0 0 307.340 3.352 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc3ccccc3n2)C1 ZINC000628493169 401607678 /nfs/dbraw/zinc/60/76/78/401607678.db2.gz KOSXPGYMBUFEKL-LSDHHAIUSA-N 0 0 309.413 3.233 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCC(=O)c2c(F)cccc2F)C1 ZINC000628493744 401608025 /nfs/dbraw/zinc/60/80/25/401608025.db2.gz WILRGDYHLZNPNB-GFCCVEGCSA-N 0 0 307.340 3.352 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(Br)c(OC)c2)C1 ZINC000628494411 401608248 /nfs/dbraw/zinc/60/82/48/401608248.db2.gz ODHWCGNNGOPBLT-LLVKDONJSA-N 0 0 324.218 3.496 10 30 DGEERN C=CCN(C)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000632570838 401615268 /nfs/dbraw/zinc/61/52/68/401615268.db2.gz ZVUVQPOGYFLETO-HIFRSBDPSA-N 0 0 308.219 3.371 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)c1sccc1OC ZINC000632640916 401617869 /nfs/dbraw/zinc/61/78/69/401617869.db2.gz JNUSAQZPHFDJQQ-UHFFFAOYSA-N 0 0 303.449 3.027 10 30 DGEERN C=CCOc1ccccc1C(=O)NCC(=O)C1(C)CCCC1 ZINC000628999596 401655297 /nfs/dbraw/zinc/65/52/97/401655297.db2.gz TTWOQSYQYSMUKG-UHFFFAOYSA-N 0 0 301.386 3.131 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(OC)nc1)C1CC1 ZINC000624456496 401662058 /nfs/dbraw/zinc/66/20/58/401662058.db2.gz KQXIXKWXILIUFF-INIZCTEOSA-N 0 0 317.433 3.443 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000624464857 401662645 /nfs/dbraw/zinc/66/26/45/401662645.db2.gz RVFPQSMQUAHIBR-HOCLYGCPSA-N 0 0 304.434 3.053 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)[C@H](C)c1ccccc1 ZINC000624464855 401662705 /nfs/dbraw/zinc/66/27/05/401662705.db2.gz RVFPQSMQUAHIBR-GDBMZVCRSA-N 0 0 304.434 3.053 10 30 DGEERN C=CCC1(NC(=O)c2[nH]ncc2C(F)(F)F)CCCCC1 ZINC000633332673 401673120 /nfs/dbraw/zinc/67/31/20/401673120.db2.gz PQXDCANGOVLAPA-UHFFFAOYSA-N 0 0 301.312 3.437 10 30 DGEERN C=CCC(C)(C)c1noc(Cn2cc(C)c(C(F)(F)F)n2)n1 ZINC000624633651 401677050 /nfs/dbraw/zinc/67/70/50/401677050.db2.gz ZCRHIZPGZGWNRA-UHFFFAOYSA-N 0 0 314.311 3.495 10 30 DGEERN C=CCn1cc(-c2nc(-c3ccccc3CC(C)C)no2)nn1 ZINC000624681871 401681724 /nfs/dbraw/zinc/68/17/24/401681724.db2.gz AUQWEHVKLJBYST-UHFFFAOYSA-N 0 0 309.373 3.380 10 30 DGEERN C=CCCO[C@H](C)c1nc(-c2cccc(OC(F)F)n2)no1 ZINC000624689362 401682464 /nfs/dbraw/zinc/68/24/64/401682464.db2.gz ZAMQFMCUAHYFLU-SECBINFHSA-N 0 0 311.288 3.387 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2c(Cl)oc3ccccc32)C1=O ZINC000629480539 401687308 /nfs/dbraw/zinc/68/73/08/401687308.db2.gz RQGMXDBBFTXFFB-GFCCVEGCSA-N 0 0 318.760 3.473 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000177826684 164816469 /nfs/dbraw/zinc/81/64/69/164816469.db2.gz GIVOBEXTWILKNW-KXPUMZMLSA-N 0 0 324.405 3.233 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2cccc(Cl)c2)cn1 ZINC000185850843 165019001 /nfs/dbraw/zinc/01/90/01/165019001.db2.gz NCECAVMKGZHYJD-UHFFFAOYSA-N 0 0 309.760 3.404 10 30 DGEERN CCO[C@H](CCNC(=O)C1(c2ccc(C#N)cc2)CC1)C(C)C ZINC000187864060 165105266 /nfs/dbraw/zinc/10/52/66/165105266.db2.gz PDEYHWWRWDYZSN-QGZVFWFLSA-N 0 0 314.429 3.157 10 30 DGEERN N#Cc1ccc(CSc2n[nH]c(-c3ccccn3)n2)cc1F ZINC000188015164 165108780 /nfs/dbraw/zinc/10/87/80/165108780.db2.gz CBEUNMZKMAELEP-UHFFFAOYSA-N 0 0 311.345 3.170 10 30 DGEERN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)cc1C ZINC000189480423 165162164 /nfs/dbraw/zinc/16/21/64/165162164.db2.gz ALXLMTJWZYBSNL-SFHVURJKSA-N 0 0 322.408 3.196 10 30 DGEERN COc1ccc(COc2ccc(OC)c([N+](=O)[O-])c2)cc1C#N ZINC000189571802 165166979 /nfs/dbraw/zinc/16/69/79/165166979.db2.gz KAMIKDHTKFKIDF-UHFFFAOYSA-N 0 0 314.297 3.063 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)NCc1cccc(C#N)c1 ZINC000189848838 165179966 /nfs/dbraw/zinc/17/99/66/165179966.db2.gz VKRFKXFQTOXCEC-UHFFFAOYSA-N 0 0 311.410 3.206 10 30 DGEERN N#Cc1ccc(OC2CN(C(=O)c3cc4sccc4[nH]3)C2)cc1 ZINC000189923280 165182900 /nfs/dbraw/zinc/18/29/00/165182900.db2.gz OISIIZMDJHQGBA-UHFFFAOYSA-N 0 0 323.377 3.004 10 30 DGEERN N#Cc1ccc(COc2cccc(C(=O)NC3CC3)c2)cc1F ZINC000190054216 165187854 /nfs/dbraw/zinc/18/78/54/165187854.db2.gz QVENHPMOZODLHI-UHFFFAOYSA-N 0 0 310.328 3.169 10 30 DGEERN CC(C)C[C@]1(C)CC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000190090303 165189554 /nfs/dbraw/zinc/18/95/54/165189554.db2.gz MXVSXVLJBVTOFZ-QGZVFWFLSA-N 0 0 302.349 3.009 10 30 DGEERN COc1ccc([N+](=O)[O-])cc1NCc1ccc(C#N)c(F)c1 ZINC000190311155 165197075 /nfs/dbraw/zinc/19/70/75/165197075.db2.gz YXROLJCOLYEQQG-UHFFFAOYSA-N 0 0 301.277 3.226 10 30 DGEERN N#Cc1ccc(C[S@](=O)Cc2ccc(F)c(F)c2)cc1F ZINC000190797910 165217725 /nfs/dbraw/zinc/21/77/25/165217725.db2.gz KYDOZDOXBILQCB-NRFANRHFSA-N 0 0 309.312 3.424 10 30 DGEERN CO[C@H](C)c1noc(CSCc2ccc(C#N)c(F)c2)n1 ZINC000190964635 165221673 /nfs/dbraw/zinc/22/16/73/165221673.db2.gz XEOKDKMIQIAHIG-SECBINFHSA-N 0 0 307.350 3.221 10 30 DGEERN CCc1cc(O)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000191036556 165227704 /nfs/dbraw/zinc/22/77/04/165227704.db2.gz BRDIXVHZJMUFFG-UHFFFAOYSA-N 0 0 306.365 3.497 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)ccn1 ZINC000193147880 165318326 /nfs/dbraw/zinc/31/83/26/165318326.db2.gz XYIWQNAZTPKALK-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN Cc1ccc(NC(=O)c2ccnc(C#N)c2)c(Br)c1 ZINC000193454607 165326420 /nfs/dbraw/zinc/32/64/20/165326420.db2.gz YUVHWCOURAQOMH-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CSc1c(F)cc(NC(=O)c2ccnc(C#N)c2)cc1F ZINC000193798456 165331219 /nfs/dbraw/zinc/33/12/19/165331219.db2.gz IVIJDHMYZRRKHZ-UHFFFAOYSA-N 0 0 305.309 3.206 10 30 DGEERN N#Cc1cc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)ccn1 ZINC000193952515 165335183 /nfs/dbraw/zinc/33/51/83/165335183.db2.gz LHAGEZSMDXUBHT-CQSZACIVSA-N 0 0 319.286 3.029 10 30 DGEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([C@@H](C)O)CC1 ZINC000266365750 165880780 /nfs/dbraw/zinc/88/07/80/165880780.db2.gz LDJYWXYNIQOCJS-GFCCVEGCSA-N 0 0 313.376 3.151 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171643647 432153775 /nfs/dbraw/zinc/15/37/75/432153775.db2.gz XKDWHJQSQZHBJG-WAVCKPEOSA-N 0 0 323.421 3.434 10 30 DGEERN N#Cc1ccccc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246701394 432155315 /nfs/dbraw/zinc/15/53/15/432155315.db2.gz MXNSJQRYPURSHY-QAPCUYQASA-N 0 0 314.335 3.144 10 30 DGEERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@H](C)CO2)c1 ZINC000182200945 432164620 /nfs/dbraw/zinc/16/46/20/432164620.db2.gz JPYKCOIQNCEKAQ-KDOFPFPSSA-N 0 0 323.396 3.105 10 30 DGEERN C=CCC[C@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000269450062 432174857 /nfs/dbraw/zinc/17/48/57/432174857.db2.gz KVFCNQAVYIBLCR-IKGGRYGDSA-N 0 0 302.418 3.154 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190702774 432183348 /nfs/dbraw/zinc/18/33/48/432183348.db2.gz BDMSBKWEEKFYRH-RYUDHWBXSA-N 0 0 307.356 3.405 10 30 DGEERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(C#N)cn3C)C2)c1 ZINC000182434063 432188842 /nfs/dbraw/zinc/18/88/42/432188842.db2.gz DQUSULRLZUZLHB-INIZCTEOSA-N 0 0 307.397 3.143 10 30 DGEERN N#Cc1cnc(N2CCC(Cc3ccccn3)CC2)c(Cl)c1 ZINC000172151228 432199187 /nfs/dbraw/zinc/19/91/87/432199187.db2.gz ORWCFBJXUNECBW-UHFFFAOYSA-N 0 0 312.804 3.461 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000129854400 196081158 /nfs/dbraw/zinc/08/11/58/196081158.db2.gz VDVJPMLCJZSVSV-CXAGYDPISA-N 0 0 306.365 3.161 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000172401534 432211422 /nfs/dbraw/zinc/21/14/22/432211422.db2.gz PLCNUUSCYJPJDD-UHFFFAOYSA-N 0 0 315.417 3.353 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1Cc2ccccc2[C@H]1O ZINC000172278669 432205640 /nfs/dbraw/zinc/20/56/40/432205640.db2.gz BGZPHUPIGXDBMY-GXTWGEPZSA-N 0 0 319.286 3.042 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000151161954 432225016 /nfs/dbraw/zinc/22/50/16/432225016.db2.gz BSFPXQQWRZGUAS-UHFFFAOYSA-N 0 0 300.362 3.475 10 30 DGEERN N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000133756822 196334719 /nfs/dbraw/zinc/33/47/19/196334719.db2.gz LSTMBXLWKOMNHR-OAHLLOKOSA-N 0 0 313.382 3.225 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC000134151558 196365921 /nfs/dbraw/zinc/36/59/21/196365921.db2.gz FJODGZPLBYDJBJ-DOMZBBRYSA-N 0 0 314.410 3.170 10 30 DGEERN CCN(CC)C(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135343031 196466658 /nfs/dbraw/zinc/46/66/58/196466658.db2.gz IFPHKGYLHBROMH-LBPRGKRZSA-N 0 0 306.431 3.057 10 30 DGEERN Cc1ccc(N(CCC#N)C(=O)c2cnn3c2CCCC3)cc1 ZINC000127977427 227006980 /nfs/dbraw/zinc/00/69/80/227006980.db2.gz YJVIRESXVSRUTO-UHFFFAOYSA-N 0 0 308.385 3.088 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc2)n1 ZINC000130080967 227017947 /nfs/dbraw/zinc/01/79/47/227017947.db2.gz KUAAMUQBCDREGN-IBGZPJMESA-N 0 0 324.428 3.216 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134849519 227042456 /nfs/dbraw/zinc/04/24/56/227042456.db2.gz QYWKBLCBKVEJSV-WMLDXEAASA-N 0 0 313.376 3.306 10 30 DGEERN C[C@@H](CC#N)N(C)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000155557087 227115047 /nfs/dbraw/zinc/11/50/47/227115047.db2.gz JFZBQTLXCVVWQK-VIFPVBQESA-N 0 0 320.190 3.305 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000184610019 335080618 /nfs/dbraw/zinc/08/06/18/335080618.db2.gz NBWQHFINLDIUEI-RHSMWYFYSA-N 0 0 305.418 3.226 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)CCOc1ccccc1F ZINC000160092529 228244523 /nfs/dbraw/zinc/24/45/23/228244523.db2.gz NIPNQXSPGFNMBW-UHFFFAOYSA-N 0 0 312.344 3.157 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)C1CCCC1 ZINC000172094757 228274634 /nfs/dbraw/zinc/27/46/34/228274634.db2.gz MCFWTOZOKMGGFI-CYBMUJFWSA-N 0 0 316.449 3.041 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1Cl ZINC000173589624 228282479 /nfs/dbraw/zinc/28/24/79/228282479.db2.gz XSZHPGJRQPZLOT-ABAIWWIYSA-N 0 0 324.833 3.165 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)c2cccc(CC#N)c2)n1 ZINC000177354907 228329697 /nfs/dbraw/zinc/32/96/97/228329697.db2.gz XOOCKHLTFBAFKN-UHFFFAOYSA-N 0 0 316.364 3.499 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000177578438 228333253 /nfs/dbraw/zinc/33/32/53/228333253.db2.gz RATIZSHFLNHETQ-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1cccc2cccnc21 ZINC000178641525 228344597 /nfs/dbraw/zinc/34/45/97/228344597.db2.gz FXTRSPOIGJUGMX-UHFFFAOYSA-N 0 0 301.349 3.345 10 30 DGEERN N#CCCN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccn1 ZINC000179454876 228351800 /nfs/dbraw/zinc/35/18/00/228351800.db2.gz REICHEIAVOGBPK-UHFFFAOYSA-N 0 0 317.396 3.388 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(F)cc(F)c1 ZINC000188215149 228453670 /nfs/dbraw/zinc/45/36/70/228453670.db2.gz PDVUVXKXIQAVKI-UHFFFAOYSA-N 0 0 310.307 3.452 10 30 DGEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1SCCC#N ZINC000191475795 228528725 /nfs/dbraw/zinc/52/87/25/228528725.db2.gz ZTNHRMBTAIKLSD-STQMWFEESA-N 0 0 304.415 3.446 10 30 DGEERN Cc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)C2CC2)c1C(C)C ZINC000191940931 228534813 /nfs/dbraw/zinc/53/48/13/228534813.db2.gz BRQLSIHVUUOEPB-INIZCTEOSA-N 0 0 322.412 3.336 10 30 DGEERN Cc1noc([C@H](NC(=O)C[C@@H]2C=CCC2)C2CCOCC2)n1 ZINC000329122457 228929253 /nfs/dbraw/zinc/92/92/53/228929253.db2.gz KWWWPUAQFZPTSC-IUODEOHRSA-N 0 0 305.378 3.159 10 30 DGEERN C[C@@H]1CC(CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@@H](C)O1 ZINC000329811813 228961977 /nfs/dbraw/zinc/96/19/77/228961977.db2.gz RRIRXIQYLPZAQI-FQWUGETNSA-N 0 0 314.429 3.032 10 30 DGEERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358731938 229365060 /nfs/dbraw/zinc/36/50/60/229365060.db2.gz IRBAHQDFOGBNAM-WDEREUQCSA-N 0 0 305.344 3.299 10 30 DGEERN N#CCCCC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000360488462 229397479 /nfs/dbraw/zinc/39/74/79/229397479.db2.gz JRPXRLNGKCTTTK-UHFFFAOYSA-N 0 0 301.777 3.331 10 30 DGEERN N#Cc1cccc(NCCN2CCc3c(Cl)cccc3C2)n1 ZINC000302616739 230319741 /nfs/dbraw/zinc/31/97/41/230319741.db2.gz CRCBESVSPZDREP-UHFFFAOYSA-N 0 0 312.804 3.077 10 30 DGEERN Cc1ccc(NC[C@@H](c2c(F)cccc2F)N(C)C)nc1C#N ZINC000302666006 230341281 /nfs/dbraw/zinc/34/12/81/230341281.db2.gz QBKJRHVFKJOHSJ-HNNXBMFYSA-N 0 0 316.355 3.255 10 30 DGEERN Cc1ccc(NC[C@@H](O)c2cccc(OC(C)C)c2)nc1C#N ZINC000302675357 230344424 /nfs/dbraw/zinc/34/44/24/230344424.db2.gz UBTJLSZHNPUVHT-QGZVFWFLSA-N 0 0 311.385 3.194 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1C#N)[C@@H](C)C2 ZINC000181255171 263580882 /nfs/dbraw/zinc/58/08/82/263580882.db2.gz PNLREFNVCCAELQ-XOBRGWDASA-N 0 0 320.392 3.295 10 30 DGEERN C[C@H](Nc1cnc(C#N)cn1)c1cccc(OC(F)(F)F)c1 ZINC000185542774 263638733 /nfs/dbraw/zinc/63/87/33/263638733.db2.gz FNGUAMQTEWMQCN-VIFPVBQESA-N 0 0 308.263 3.420 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(F)c3C#N)c21 ZINC000189117940 263710093 /nfs/dbraw/zinc/71/00/93/263710093.db2.gz IPGFKUQUBCKHGN-UHFFFAOYSA-N 0 0 321.355 3.460 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)ccn1 ZINC000193141429 263788912 /nfs/dbraw/zinc/78/89/12/263788912.db2.gz OGSWUSXTJOLAIH-QFBILLFUSA-N 0 0 319.408 3.485 10 30 DGEERN C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585003 270003990 /nfs/dbraw/zinc/00/39/90/270003990.db2.gz IFOUXHFDAWSPQF-SCLBCKFNSA-N 0 0 323.371 3.153 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000534047058 270004940 /nfs/dbraw/zinc/00/49/40/270004940.db2.gz RNSZNGABOZBZGP-UHFFFAOYSA-N 0 0 315.376 3.167 10 30 DGEERN CCOc1ccc(OC)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000530914386 267171936 /nfs/dbraw/zinc/17/19/36/267171936.db2.gz RHOMMEBDQWIIQZ-UHFFFAOYSA-N 0 0 310.353 3.147 10 30 DGEERN CCOc1cccc([C@H](C)NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531386606 267173380 /nfs/dbraw/zinc/17/33/80/267173380.db2.gz NPLUZJPZIJQNLW-AWEZNQCLSA-N 0 0 308.381 3.377 10 30 DGEERN CCS[C@H]1CCC[C@@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531153773 267182002 /nfs/dbraw/zinc/18/20/02/267182002.db2.gz XOPXUOKJQHIKJN-CVEARBPZSA-N 0 0 302.443 3.281 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000366865227 267285232 /nfs/dbraw/zinc/28/52/32/267285232.db2.gz MTQOWZBZSXQBRY-QGZVFWFLSA-N 0 0 323.400 3.359 10 30 DGEERN Cc1c(CNC(=O)COc2ccccc2C#N)oc2ccccc12 ZINC000359494693 267293748 /nfs/dbraw/zinc/29/37/48/267293748.db2.gz QEJXZTPUOVBHMX-UHFFFAOYSA-N 0 0 320.348 3.308 10 30 DGEERN N#Cc1cnccc1NCc1cc(F)c(F)cc1Br ZINC000515624846 268170323 /nfs/dbraw/zinc/17/03/23/268170323.db2.gz KJWIKAUVBMINMI-UHFFFAOYSA-N 0 0 324.128 3.028 10 30 DGEERN N#Cc1cc(N2CCC(c3c[nH]c4ccccc43)CC2)ncn1 ZINC000526273381 268183268 /nfs/dbraw/zinc/18/32/68/268183268.db2.gz ANPINJAQGKHIFD-UHFFFAOYSA-N 0 0 303.369 3.214 10 30 DGEERN N#Cc1cc2c(nc1N1CCOc3cccc(F)c3C1)CCCC2 ZINC000509504259 268193687 /nfs/dbraw/zinc/19/36/87/268193687.db2.gz AIJIRWMWPBEOOW-UHFFFAOYSA-N 0 0 323.371 3.370 10 30 DGEERN N#Cc1cccc(CC(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000531151247 268273752 /nfs/dbraw/zinc/27/37/52/268273752.db2.gz SRANWPNWNBFZNI-KRWDZBQOSA-N 0 0 317.392 3.116 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2cccc3cccnc32)c1 ZINC000530911012 268275095 /nfs/dbraw/zinc/27/50/95/268275095.db2.gz LUDLTZIXBZBQLJ-UHFFFAOYSA-N 0 0 315.376 3.008 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@H]2SCCc3ccccc32)c1 ZINC000530672405 268276085 /nfs/dbraw/zinc/27/60/85/268276085.db2.gz KXRFAAQCHYMOHD-GOSISDBHSA-N 0 0 322.433 3.248 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000530670463 268277953 /nfs/dbraw/zinc/27/79/53/268277953.db2.gz AQXJSKOHURZWRT-INIZCTEOSA-N 0 0 308.406 3.454 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000531389746 268278811 /nfs/dbraw/zinc/27/88/11/268278811.db2.gz HOKPIGAOPUFINT-UHFFFAOYSA-N 0 0 309.350 3.456 10 30 DGEERN COc1cc(OC)cc(N(C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000191276609 432243522 /nfs/dbraw/zinc/24/35/22/432243522.db2.gz KIMSEFFYXDHQAP-UHFFFAOYSA-N 0 0 312.369 3.220 10 30 DGEERN Cc1c(Br)cccc1CC(=O)NC1(C#N)CCCC1 ZINC000191277336 432244410 /nfs/dbraw/zinc/24/44/10/432244410.db2.gz QSMOCZJGAVMHRY-UHFFFAOYSA-N 0 0 321.218 3.253 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-n2cccn2)ccn1 ZINC000193749476 274919092 /nfs/dbraw/zinc/91/90/92/274919092.db2.gz KRJBNOVMFBZLPG-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCC[C@H]3C#N)sc2C1 ZINC000408232492 287828630 /nfs/dbraw/zinc/82/86/30/287828630.db2.gz OPQVJIVUCQTRFA-OUAUKWLOSA-N 0 0 304.419 3.082 10 30 DGEERN CC1(C)CN(c2nc3ccccn3c2C#N)CC2(CCCC2)O1 ZINC000302668364 276136618 /nfs/dbraw/zinc/13/66/18/276136618.db2.gz NCXWAOIQXALRSR-UHFFFAOYSA-N 0 0 310.401 3.134 10 30 DGEERN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C#N)n1C ZINC000451782774 276447603 /nfs/dbraw/zinc/44/76/03/276447603.db2.gz UCNUDKLBBPOAEI-INIZCTEOSA-N 0 0 311.385 3.129 10 30 DGEERN C=CC(C)(C)CN1C(=O)[C@@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000419991400 276880922 /nfs/dbraw/zinc/88/09/22/276880922.db2.gz BFPMUOAROXLMNM-GJZGRUSLSA-N 0 0 304.434 3.432 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCOc3c(F)cccc32)CCOCC1 ZINC000424608735 276882930 /nfs/dbraw/zinc/88/29/30/276882930.db2.gz NNKRWDJBOVLZEB-HNNXBMFYSA-N 0 0 319.376 3.138 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000451215059 276919520 /nfs/dbraw/zinc/91/95/20/276919520.db2.gz ZBBZBRYXYFFDCU-CJNGLKHVSA-N 0 0 315.413 3.301 10 30 DGEERN C=C(C)[C@@H](CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)OCC ZINC000339363187 277788751 /nfs/dbraw/zinc/78/87/51/277788751.db2.gz QMQFCXFZWSVCQN-DLBZAZTESA-N 0 0 309.450 3.308 10 30 DGEERN C=C(C)C[C@H](Nc1ncc(C#N)c2ccsc21)C(=O)OC ZINC000601227407 430539626 /nfs/dbraw/zinc/53/96/26/430539626.db2.gz NDVCAHDRXYHPGR-LBPRGKRZSA-N 0 0 301.371 3.088 10 30 DGEERN C=CCC1(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)CCC1 ZINC000456640061 277824129 /nfs/dbraw/zinc/82/41/29/277824129.db2.gz GGXQHJMAYFFVIG-CYBMUJFWSA-N 0 0 318.383 3.075 10 30 DGEERN C=CCn1c(N(CC)C2CCCC2)nnc1[C@@]1(C)CCCO1 ZINC000453441956 277893766 /nfs/dbraw/zinc/89/37/66/277893766.db2.gz OZWDRQLJCXTJBI-QGZVFWFLSA-N 0 0 304.438 3.259 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H](C)c1ccccc1C ZINC000455419777 277902641 /nfs/dbraw/zinc/90/26/41/277902641.db2.gz HTVDVZZGXFYVAG-UAGQMJEPSA-N 0 0 302.418 3.431 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC(C3CCC3)CC2)s1 ZINC000622144688 430609291 /nfs/dbraw/zinc/60/92/91/430609291.db2.gz VJCBQSFXRPUEOL-UHFFFAOYSA-N 0 0 305.447 3.393 10 30 DGEERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)n1C ZINC000449904072 278929665 /nfs/dbraw/zinc/92/96/65/278929665.db2.gz VDQULSMAZFZNCO-TZMCWYRMSA-N 0 0 311.360 3.054 10 30 DGEERN CN(C)/C=C/C(=O)c1ccc(-n2cnc(Cl)c2Cl)cc1 ZINC000000161096 431135389 /nfs/dbraw/zinc/13/53/89/431135389.db2.gz LSSUOISHHWILRK-BQYQJAHWSA-N 0 0 310.184 3.437 10 30 DGEERN C/C(=N\O)c1sc(Cn2cnc(Cl)c2Cl)nc1C ZINC000000161108 431136805 /nfs/dbraw/zinc/13/68/05/431136805.db2.gz VOPOMBVUSCQNMU-GIDUJCDVSA-N 0 0 305.190 3.201 10 30 DGEERN CC(C)N1C(=O)N(c2ccccc2)C[S@@](=O)/C1=N\C(C)(C)C ZINC000038530137 279469065 /nfs/dbraw/zinc/46/90/65/279469065.db2.gz DSRZHUJBAONBBX-XWPLZZTOSA-N 0 0 321.446 3.198 10 30 DGEERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C#N)C2CC2)c1 ZINC000108839506 431156407 /nfs/dbraw/zinc/15/64/07/431156407.db2.gz FJMTZTGXYCEJJZ-CZUORRHYSA-N 0 0 300.402 3.304 10 30 DGEERN N#C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)C1CC1 ZINC000108832021 431156669 /nfs/dbraw/zinc/15/66/69/431156669.db2.gz ZOUDHHRSYOEDHY-GOSISDBHSA-N 0 0 320.392 3.075 10 30 DGEERN N#CCCCS(=O)(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000111331598 431213157 /nfs/dbraw/zinc/21/31/57/431213157.db2.gz JRYVLIKZLGIUBC-UHFFFAOYSA-N 0 0 320.458 3.455 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000070021796 431236145 /nfs/dbraw/zinc/23/61/45/431236145.db2.gz RWCZIPRIOJKRHD-OAHLLOKOSA-N 0 0 314.433 3.083 10 30 DGEERN CCCCCCCCCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112647137 431291237 /nfs/dbraw/zinc/29/12/37/431291237.db2.gz XEQLQJNWURMUQO-HNNXBMFYSA-N 0 0 306.454 3.240 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C#N)C1CC1 ZINC000112908405 431316041 /nfs/dbraw/zinc/31/60/41/431316041.db2.gz FTJYWEKBPYYISU-PRHODGIISA-N 0 0 313.184 3.179 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113161830 431330987 /nfs/dbraw/zinc/33/09/87/431330987.db2.gz WWOXBVIZUVHUTC-QGZVFWFLSA-N 0 0 315.348 3.078 10 30 DGEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000007305283 431340763 /nfs/dbraw/zinc/34/07/63/431340763.db2.gz VPHXPWVLHCGXLL-NSHDSACASA-N 0 0 320.801 3.251 10 30 DGEERN C=CCN(CC=C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000114723972 431406350 /nfs/dbraw/zinc/40/63/50/431406350.db2.gz WCHMQKQNJNHQKB-SFHVURJKSA-N 0 0 314.429 3.033 10 30 DGEERN CCc1ccc(O)c(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000074826771 431439020 /nfs/dbraw/zinc/43/90/20/431439020.db2.gz AOPXAHWJWLZGGA-LBPRGKRZSA-N 0 0 310.353 3.232 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116039436 431480856 /nfs/dbraw/zinc/48/08/56/431480856.db2.gz XCVTVDDIXMYZPW-DZGCQCFKSA-N 0 0 310.353 3.282 10 30 DGEERN N#CCOc1ccc(CC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116040095 431481013 /nfs/dbraw/zinc/48/10/13/431481013.db2.gz QJQNDUZXFQKGMW-INIZCTEOSA-N 0 0 310.353 3.088 10 30 DGEERN CCN(C(=O)NCc1cccc(C#N)c1)[C@H](C)c1cccnc1 ZINC000115661019 431471283 /nfs/dbraw/zinc/47/12/83/431471283.db2.gz SBIGKTWHAHHVGZ-CQSZACIVSA-N 0 0 308.385 3.246 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1cccn1C ZINC000075698914 431491819 /nfs/dbraw/zinc/49/18/19/431491819.db2.gz BARGZXOEPOWFCJ-WMLDXEAASA-N 0 0 323.396 3.028 10 30 DGEERN C=CCCCN(C)C(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000076484547 431553457 /nfs/dbraw/zinc/55/34/57/431553457.db2.gz RACCSJVCTIPRER-UHFFFAOYSA-N 0 0 300.406 3.359 10 30 DGEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C#N)cc1 ZINC000103377448 280023738 /nfs/dbraw/zinc/02/37/38/280023738.db2.gz PAANNBCMDCGKDL-NSHDSACASA-N 0 0 307.309 3.058 10 30 DGEERN Cc1c(C)n(-c2cc(Br)ccc2F)c(N)c1C#N ZINC000036753131 280223466 /nfs/dbraw/zinc/22/34/66/280223466.db2.gz WXGIUHYIWXJSEE-UHFFFAOYSA-N 0 0 308.154 3.450 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000129016284 280315942 /nfs/dbraw/zinc/31/59/42/280315942.db2.gz GTDBXUPBHSSAFF-HOTGVXAUSA-N 0 0 300.427 3.367 10 30 DGEERN C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1cccc(Cl)c1 ZINC000118893873 431624373 /nfs/dbraw/zinc/62/43/73/431624373.db2.gz SDLWIBPQGIYBMG-LLVKDONJSA-N 0 0 317.780 3.333 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000077861061 431626779 /nfs/dbraw/zinc/62/67/79/431626779.db2.gz RXXDGQNGSHFTIP-AWEZNQCLSA-N 0 0 318.417 3.227 10 30 DGEERN Cc1nc2cc(NC(=O)COc3ccccc3C#N)ccc2o1 ZINC000027013277 431683739 /nfs/dbraw/zinc/68/37/39/431683739.db2.gz LKPVCRNNHIOKMM-UHFFFAOYSA-N 0 0 307.309 3.025 10 30 DGEERN COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)c(OC)c1OC ZINC000027547171 431688752 /nfs/dbraw/zinc/68/87/52/431688752.db2.gz NSQNICWEQKVAFQ-CSKARUKUSA-N 0 0 323.348 3.480 10 30 DGEERN Cc1csc([C@H]2CN(Cc3ccc(F)c(C#N)c3)CCO2)n1 ZINC000119481198 431697739 /nfs/dbraw/zinc/69/77/39/431697739.db2.gz JXDMGIBIVLYFOV-OAHLLOKOSA-N 0 0 317.389 3.036 10 30 DGEERN C#CCCCCC(=O)NCc1cc(F)cc(Br)c1 ZINC000119671093 431712584 /nfs/dbraw/zinc/71/25/84/431712584.db2.gz GSTYIZBFXUYRTE-UHFFFAOYSA-N 0 0 312.182 3.398 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000120937358 431737058 /nfs/dbraw/zinc/73/70/58/431737058.db2.gz ICIVOEYILXWOHQ-CQSZACIVSA-N 0 0 314.307 3.182 10 30 DGEERN Cc1cc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000030522824 431738470 /nfs/dbraw/zinc/73/84/70/431738470.db2.gz ARIVYMMDZJIMRZ-UHFFFAOYSA-N 0 0 320.439 3.057 10 30 DGEERN C=CCNC(=O)[C@H](C)SCc1cc(F)cc2cccnc21 ZINC000079349731 431722280 /nfs/dbraw/zinc/72/22/80/431722280.db2.gz ZJXXPSAWBRKFLC-NSHDSACASA-N 0 0 304.390 3.298 10 30 DGEERN C[C@H](CC#N)NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000081306494 431788870 /nfs/dbraw/zinc/78/88/70/431788870.db2.gz IVCLEUJUOJVMLZ-QGZVFWFLSA-N 0 0 321.424 3.107 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000081536686 431792163 /nfs/dbraw/zinc/79/21/63/431792163.db2.gz AHOIJTKZXWBPFS-UHFFFAOYSA-N 0 0 318.336 3.336 10 30 DGEERN CCCCOc1ccc(CNc2cnc(C#N)cn2)cc1OC ZINC000121525356 431799135 /nfs/dbraw/zinc/79/91/35/431799135.db2.gz NAJPDGWECRXZOJ-UHFFFAOYSA-N 0 0 312.373 3.148 10 30 DGEERN C[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000121548345 431800946 /nfs/dbraw/zinc/80/09/46/431800946.db2.gz MZGJVZWCZFNEJL-MRXNPFEDSA-N 0 0 315.376 3.101 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2cc(C#N)cs2)cc1F ZINC000084072228 431813929 /nfs/dbraw/zinc/81/39/29/431813929.db2.gz FRYPWVVMGVNWKX-VIFPVBQESA-N 0 0 304.346 3.258 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cnccc1Oc1ccccc1 ZINC000081061860 431782919 /nfs/dbraw/zinc/78/29/19/431782919.db2.gz AWNOXNJIWZAEPC-UHFFFAOYSA-N 0 0 318.336 3.336 10 30 DGEERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000081000179 431783344 /nfs/dbraw/zinc/78/33/44/431783344.db2.gz WAYJOAIWZZGTQH-LLVKDONJSA-N 0 0 301.777 3.383 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 ZINC000122917116 431848461 /nfs/dbraw/zinc/84/84/61/431848461.db2.gz LTDMJSOLJVYDCK-OAHLLOKOSA-N 0 0 309.417 3.171 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)Cc1nc2ccccc2n1C ZINC000122360333 431829767 /nfs/dbraw/zinc/82/97/67/431829767.db2.gz FPMQXZXTMGVJSY-UHFFFAOYSA-N 0 0 318.380 3.026 10 30 DGEERN CCc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000122607107 431839697 /nfs/dbraw/zinc/83/96/97/431839697.db2.gz XXAHCTIWXWIJDV-AWEZNQCLSA-N 0 0 308.381 3.204 10 30 DGEERN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000047282108 431907817 /nfs/dbraw/zinc/90/78/17/431907817.db2.gz RVMNSDJCDBPQHK-NSHDSACASA-N 0 0 320.801 3.251 10 30 DGEERN C=CCN(Cc1cc(OC)ccc1OCOC)CC(F)(F)F ZINC000092471962 431909924 /nfs/dbraw/zinc/90/99/24/431909924.db2.gz GTZAHTADLYRQQK-UHFFFAOYSA-N 0 0 319.323 3.228 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(C)c(-n2cnnn2)c1 ZINC000125009590 431911349 /nfs/dbraw/zinc/91/13/49/431911349.db2.gz VVSDZWYPCONPHI-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN C=C[C@H](CC(=O)N[C@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000125256413 431919503 /nfs/dbraw/zinc/91/95/03/431919503.db2.gz PLCQRALCBYZSKT-ZBFHGGJFSA-N 0 0 324.428 3.152 10 30 DGEERN C[C@@H](NC(=O)NCC#Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000045611602 431888085 /nfs/dbraw/zinc/88/80/85/431888085.db2.gz CBIGOYSQDXGVDR-CYBMUJFWSA-N 0 0 314.335 3.377 10 30 DGEERN N#C[C@H](C(=O)c1ccccc1Br)c1ccccn1 ZINC000046439630 431897079 /nfs/dbraw/zinc/89/70/79/431897079.db2.gz PWZWERFJXTZPIQ-NSHDSACASA-N 0 0 301.143 3.334 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000091050464 431900360 /nfs/dbraw/zinc/90/03/60/431900360.db2.gz OAKWKOJTLXWGPS-KUHUBIRLSA-N 0 0 320.392 3.409 10 30 DGEERN N#CC1(NC(=O)CCCOc2ccc(Cl)cc2)CCCC1 ZINC000124829316 431905780 /nfs/dbraw/zinc/90/57/80/431905780.db2.gz DNXKUHJJIVITRD-UHFFFAOYSA-N 0 0 306.793 3.452 10 30 DGEERN N#CC1(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CCCC1 ZINC000124833972 431906033 /nfs/dbraw/zinc/90/60/33/431906033.db2.gz QEGWNEGOPXJNMP-UHFFFAOYSA-N 0 0 323.352 3.098 10 30 DGEERN C=CCCCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000125653418 431932977 /nfs/dbraw/zinc/93/29/77/431932977.db2.gz GVVANGQKEAELTC-UHFFFAOYSA-N 0 0 300.156 3.155 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000125781876 431936515 /nfs/dbraw/zinc/93/65/15/431936515.db2.gz RFXFJHDVBSUFGR-OAHLLOKOSA-N 0 0 318.417 3.181 10 30 DGEERN CC(C)COC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000055910929 431986890 /nfs/dbraw/zinc/98/68/90/431986890.db2.gz VOQHVVPKDDXYGY-UHFFFAOYSA-N 0 0 314.429 3.154 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000173376156 432273675 /nfs/dbraw/zinc/27/36/75/432273675.db2.gz DLQYQBLMLDOPRT-HNNXBMFYSA-N 0 0 313.332 3.337 10 30 DGEERN C=CCN(CCOC)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000191976211 432319885 /nfs/dbraw/zinc/31/98/85/432319885.db2.gz QPNUZLOFXLGXBD-UHFFFAOYSA-N 0 0 307.356 3.406 10 30 DGEERN N#Cc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174088958 432320251 /nfs/dbraw/zinc/32/02/51/432320251.db2.gz DMPQSSXRTJFMOH-UHFFFAOYSA-N 0 0 323.371 3.414 10 30 DGEERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC#Cc1ccccc1 ZINC000192053419 432329278 /nfs/dbraw/zinc/32/92/78/432329278.db2.gz PJRNTPADHVSYER-ZHRRBRCNSA-N 0 0 311.450 3.469 10 30 DGEERN CN(CC#Cc1ccccc1)Cc1cc(Br)cn1C ZINC000192070477 432329982 /nfs/dbraw/zinc/32/99/82/432329982.db2.gz VVOURPSFHOKWGR-UHFFFAOYSA-N 0 0 317.230 3.271 10 30 DGEERN CCCN(CCc1cccs1)C(=O)c1cc(C#N)cn1C ZINC000183851148 432330181 /nfs/dbraw/zinc/33/01/81/432330181.db2.gz YKWNONGRQHTSEW-UHFFFAOYSA-N 0 0 301.415 3.053 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000174221263 432330412 /nfs/dbraw/zinc/33/04/12/432330412.db2.gz QWJGNIIXRUINHS-KGLIPLIRSA-N 0 0 320.408 3.074 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000183901546 432333764 /nfs/dbraw/zinc/33/37/64/432333764.db2.gz DZJIMKWSXDAOIU-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN C#CCCCC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192142189 432337433 /nfs/dbraw/zinc/33/74/33/432337433.db2.gz YBJKHGXKOSKKCH-UHFFFAOYSA-N 0 0 301.386 3.062 10 30 DGEERN C#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000192195515 432344346 /nfs/dbraw/zinc/34/43/46/432344346.db2.gz DROYADBBXMNHKW-RDJZCZTQSA-N 0 0 304.821 3.005 10 30 DGEERN CCc1cc(NC(=O)Nc2cc(C#N)ccc2OC(F)F)n[nH]1 ZINC000192251801 432349512 /nfs/dbraw/zinc/34/95/12/432349512.db2.gz KTMNTDYHIXXMFQ-UHFFFAOYSA-N 0 0 321.287 3.089 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC(c2ccncc2)CC1 ZINC000192286149 432354240 /nfs/dbraw/zinc/35/42/40/432354240.db2.gz RJRRLWLXWBDOJS-UHFFFAOYSA-N 0 0 305.381 3.282 10 30 DGEERN CC[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173905618 432305730 /nfs/dbraw/zinc/30/57/30/432305730.db2.gz UMYNKYWXPSLXER-SFHVURJKSA-N 0 0 308.381 3.247 10 30 DGEERN C=CCC1(C(=O)NCCc2csc(N3CCCC3)n2)CCC1 ZINC000191821049 432307218 /nfs/dbraw/zinc/30/72/18/432307218.db2.gz WDCQRRCEVQDBBN-UHFFFAOYSA-N 0 0 319.474 3.148 10 30 DGEERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000183613055 432308712 /nfs/dbraw/zinc/30/87/12/432308712.db2.gz VYBSILHIUDCYSY-SFHVURJKSA-N 0 0 319.408 3.299 10 30 DGEERN C#CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248643105 432310377 /nfs/dbraw/zinc/31/03/77/432310377.db2.gz YOTCIOQOKVLCFW-CVEARBPZSA-N 0 0 318.848 3.251 10 30 DGEERN Cc1cccc(C)c1NC(=O)CN(C)CC#Cc1ccccc1 ZINC000191926849 432314047 /nfs/dbraw/zinc/31/40/47/432314047.db2.gz DMXSVDAOSBSIGE-UHFFFAOYSA-N 0 0 306.409 3.225 10 30 DGEERN CCC(C)(CC)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183661970 432314737 /nfs/dbraw/zinc/31/47/37/432314737.db2.gz QSBRBDJWSAQQNF-UHFFFAOYSA-N 0 0 300.811 3.069 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(CC)CC ZINC000191929996 432315082 /nfs/dbraw/zinc/31/50/82/432315082.db2.gz PRPNGCVVHXEDJG-UHFFFAOYSA-N 0 0 302.418 3.345 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000184248165 432372216 /nfs/dbraw/zinc/37/22/16/432372216.db2.gz MGJRBQSKPLQJLH-CYBMUJFWSA-N 0 0 306.381 3.203 10 30 DGEERN NC(=O)c1cccc(N=Cc2ccc(Br)cc2)c1 ZINC000254486704 432402765 /nfs/dbraw/zinc/40/27/65/432402765.db2.gz KYQMHUGHXTZYDR-UHFFFAOYSA-N 0 0 303.159 3.299 10 30 DGEERN CCc1csc([C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)n1 ZINC000249894558 432362171 /nfs/dbraw/zinc/36/21/71/432362171.db2.gz RISMIURRYIFLNQ-ZIAGYGMSSA-N 0 0 302.447 3.328 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000193166298 432456149 /nfs/dbraw/zinc/45/61/49/432456149.db2.gz AECIIYXJISTGAQ-DOTOQJQBSA-N 0 0 314.429 3.032 10 30 DGEERN Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000192766777 432410128 /nfs/dbraw/zinc/41/01/28/432410128.db2.gz XHFVQOSLZBFWTK-ZDUSSCGKSA-N 0 0 304.357 3.016 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc(Br)c1 ZINC000175236366 432414090 /nfs/dbraw/zinc/41/40/90/432414090.db2.gz ZYWIUACMZVGLDJ-SECBINFHSA-N 0 0 318.174 3.140 10 30 DGEERN C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000153499568 432414798 /nfs/dbraw/zinc/41/47/98/432414798.db2.gz OBFDXJSKDNUAJR-CQSZACIVSA-N 0 0 316.364 3.235 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc(C#N)cc1 ZINC000192786991 432414872 /nfs/dbraw/zinc/41/48/72/432414872.db2.gz BWFKWAQHPAZRGN-UHFFFAOYSA-N 0 0 322.320 3.457 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc3c(s2)CCCCCC3)ccn1 ZINC000192861510 432423659 /nfs/dbraw/zinc/42/36/59/432423659.db2.gz GHJJKLBJAWCFSK-UHFFFAOYSA-N 0 0 312.398 3.321 10 30 DGEERN CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000192889228 432425894 /nfs/dbraw/zinc/42/58/94/432425894.db2.gz IDISQZKUCRFWJW-UHFFFAOYSA-N 0 0 307.328 3.451 10 30 DGEERN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C=NN)c2)n1 ZINC000257351492 432427060 /nfs/dbraw/zinc/42/70/60/432427060.db2.gz FKLPPANBMLSXBP-UHFFFAOYSA-N 0 0 308.307 3.126 10 30 DGEERN C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000193418037 432471854 /nfs/dbraw/zinc/47/18/54/432471854.db2.gz FRTJCDSQNPALTL-SJKOYZFVSA-N 0 0 309.344 3.316 10 30 DGEERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@H](C)CO2)c1 ZINC000175952403 432480136 /nfs/dbraw/zinc/48/01/36/432480136.db2.gz XGMADPJGYSYJBC-KDOFPFPSSA-N 0 0 323.396 3.105 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000175966165 432482110 /nfs/dbraw/zinc/48/21/10/432482110.db2.gz JXLUSXIPRQNZBR-QGZVFWFLSA-N 0 0 307.397 3.307 10 30 DGEERN Cc1c(Br)scc1C(=O)NC1(C#N)CCCC1 ZINC000185254535 432484861 /nfs/dbraw/zinc/48/48/61/432484861.db2.gz PJRGVQDIHNFLFC-UHFFFAOYSA-N 0 0 313.220 3.385 10 30 DGEERN N#Cc1ccc(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000262509732 432488288 /nfs/dbraw/zinc/48/82/88/432488288.db2.gz AUYRXQZLPWLKQD-SFHVURJKSA-N 0 0 308.381 3.124 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)C2=CCOCC2)cc1 ZINC000193748364 432495104 /nfs/dbraw/zinc/49/51/04/432495104.db2.gz WYKKIPNYWIDKIB-UHFFFAOYSA-N 0 0 318.376 3.188 10 30 DGEERN C[C@@H]1COCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000193805660 432499303 /nfs/dbraw/zinc/49/93/03/432499303.db2.gz KQZWUNAQRWOVQH-MNOVXSKESA-N 0 0 304.415 3.110 10 30 DGEERN N#Cc1ccc(NC(=O)NCCc2cc(F)ccc2F)cc1 ZINC000176255605 432504752 /nfs/dbraw/zinc/50/47/52/432504752.db2.gz GJQQITLHPPVRGK-UHFFFAOYSA-N 0 0 301.296 3.201 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CCCC)c1ccc(OC)cc1 ZINC000185958970 432548899 /nfs/dbraw/zinc/54/88/99/432548899.db2.gz XGZYYKOCDFRVAJ-DOTOQJQBSA-N 0 0 320.433 3.163 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Oc1ccc(SCC(=O)OC)cc1 ZINC000186024634 432554016 /nfs/dbraw/zinc/55/40/16/432554016.db2.gz DKWJLLTXSJWROG-LBPRGKRZSA-N 0 0 308.399 3.459 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCc3ccc(F)cc32)cn1 ZINC000186028344 432554364 /nfs/dbraw/zinc/55/43/64/432554364.db2.gz PVBLLEKOLAUGKL-QGZVFWFLSA-N 0 0 319.343 3.377 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1O ZINC000186025834 432554716 /nfs/dbraw/zinc/55/47/16/432554716.db2.gz SMUCRHQVPZTRHN-LLVKDONJSA-N 0 0 323.331 3.157 10 30 DGEERN COc1cc(O[C@H](C)c2nc(C(C)(C)C)no2)ccc1C#N ZINC000194503747 432556125 /nfs/dbraw/zinc/55/61/25/432556125.db2.gz VYRJGTKRJDRKSG-SNVBAGLBSA-N 0 0 301.346 3.387 10 30 DGEERN C=CC[C@H](C)NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000176859531 432559320 /nfs/dbraw/zinc/55/93/20/432559320.db2.gz LDFKPKYCUIPCNF-ZDUSSCGKSA-N 0 0 318.417 3.406 10 30 DGEERN N#Cc1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1Cl ZINC000186140643 432561564 /nfs/dbraw/zinc/56/15/64/432561564.db2.gz OHFUWUXVAKILHJ-ZFWWWQNUSA-N 0 0 318.829 3.485 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000186142169 432561989 /nfs/dbraw/zinc/56/19/89/432561989.db2.gz TXBINMGMBFFDHQ-ZDUSSCGKSA-N 0 0 313.405 3.462 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000185740641 432528518 /nfs/dbraw/zinc/52/85/18/432528518.db2.gz XFWBUWVIVNGBMR-DOTOQJQBSA-N 0 0 317.429 3.127 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000185753914 432530636 /nfs/dbraw/zinc/53/06/36/432530636.db2.gz XXDQPINEVBXFPL-NVXWUHKLSA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000185753933 432530839 /nfs/dbraw/zinc/53/08/39/432530839.db2.gz XXDQPINEVBXFPL-WBVHZDCISA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000185765755 432531520 /nfs/dbraw/zinc/53/15/20/432531520.db2.gz BAKKWKIZUCJHNJ-UONOGXRCSA-N 0 0 320.399 3.321 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000194237418 432534880 /nfs/dbraw/zinc/53/48/80/432534880.db2.gz BWSWEPQYIHBWEN-HNNXBMFYSA-N 0 0 322.412 3.124 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cccc(N[C@H](C)C(C)C)c1C ZINC000185917746 432544744 /nfs/dbraw/zinc/54/47/44/432544744.db2.gz LBPKFHITZRSNHM-CABCVRRESA-N 0 0 304.434 3.118 10 30 DGEERN C=CCOc1cccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000263466622 432546046 /nfs/dbraw/zinc/54/60/46/432546046.db2.gz CRYGLRKELCZZTQ-NXHRZFHOSA-N 0 0 315.413 3.469 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185925923 432546270 /nfs/dbraw/zinc/54/62/70/432546270.db2.gz HHRNGGYLFKJVRK-JYJNAYRXSA-N 0 0 324.465 3.005 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000185947684 432547253 /nfs/dbraw/zinc/54/72/53/432547253.db2.gz CMQFXNYPNWQCFS-OAHLLOKOSA-N 0 0 319.470 3.453 10 30 DGEERN CC(C)N(CC1CCC1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000195148263 432609668 /nfs/dbraw/zinc/60/96/68/432609668.db2.gz PEGNWYFVTXUDSY-AWEZNQCLSA-N 0 0 300.402 3.363 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186645491 432617942 /nfs/dbraw/zinc/61/79/42/432617942.db2.gz ZTSADEZLVJHONS-UHFFFAOYSA-N 0 0 302.378 3.094 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)Cc2ccc(C#N)cc2)n1 ZINC000177349906 432614577 /nfs/dbraw/zinc/61/45/77/432614577.db2.gz DTVVWZKKIWSGCQ-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN CCCCCCCS(=O)(=O)N1CCC(=O)Nc2ccccc21 ZINC000194803494 432578448 /nfs/dbraw/zinc/57/84/48/432578448.db2.gz DBHVGVMIIAPBBN-UHFFFAOYSA-N 0 0 324.446 3.135 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000195414887 432621530 /nfs/dbraw/zinc/62/15/30/432621530.db2.gz KPQNKCKYMQCZMI-CYBMUJFWSA-N 0 0 322.364 3.289 10 30 DGEERN COc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000187000532 432641769 /nfs/dbraw/zinc/64/17/69/432641769.db2.gz FKKYVGMUHWYDON-UHFFFAOYSA-N 0 0 322.364 3.246 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)c2cccc(CC#N)c2)cs1 ZINC000187119232 432646148 /nfs/dbraw/zinc/64/61/48/432646148.db2.gz MGYPTGGHLSZRHN-MRXNPFEDSA-N 0 0 311.410 3.495 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000274320203 432650137 /nfs/dbraw/zinc/65/01/37/432650137.db2.gz GFTQWFBVZYOQQA-KGLIPLIRSA-N 0 0 323.437 3.364 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000274314261 432650588 /nfs/dbraw/zinc/65/05/88/432650588.db2.gz YRRMGRHKFVJOPP-UONOGXRCSA-N 0 0 303.402 3.455 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000274333552 432651966 /nfs/dbraw/zinc/65/19/66/432651966.db2.gz JQNVECNNBKVCSR-SWLSCSKDSA-N 0 0 307.365 3.148 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC000274345260 432654441 /nfs/dbraw/zinc/65/44/41/432654441.db2.gz NMTLYNZPSKAGSH-LLVKDONJSA-N 0 0 316.323 3.198 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000187248838 432654939 /nfs/dbraw/zinc/65/49/39/432654939.db2.gz SOCBJGOZJJOEHG-NSHDSACASA-N 0 0 312.797 3.186 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000274398512 432662329 /nfs/dbraw/zinc/66/23/29/432662329.db2.gz PUZYBFZDBHUFJW-UONOGXRCSA-N 0 0 321.442 3.151 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000274651255 432693274 /nfs/dbraw/zinc/69/32/74/432693274.db2.gz VANVTNHMWULJBA-GOEBONIOSA-N 0 0 303.402 3.052 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000178111101 432696550 /nfs/dbraw/zinc/69/65/50/432696550.db2.gz DBXVDPVTRAGNAM-BYLDXFDBSA-N 0 0 300.361 3.026 10 30 DGEERN Cc1c(NC(=O)C2(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000188010661 432699016 /nfs/dbraw/zinc/69/90/16/432699016.db2.gz HMRLOOIUBCWIBL-UHFFFAOYSA-N 0 0 321.336 3.445 10 30 DGEERN COc1cccc(N2CCC[C@H](Nc3cccc(C#N)n3)C2)c1 ZINC000265463264 432702641 /nfs/dbraw/zinc/70/26/41/432702641.db2.gz ANWZBDVPIVCWAA-HNNXBMFYSA-N 0 0 308.385 3.043 10 30 DGEERN C=CCCCN(C)C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000265487620 432704417 /nfs/dbraw/zinc/70/44/17/432704417.db2.gz GWMLWEMYZCAFQZ-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN N#Cc1ccc(F)c(CNc2cc(Cl)ccc2C(N)=O)c1 ZINC000178267639 432713728 /nfs/dbraw/zinc/71/37/28/432713728.db2.gz ODNWSIGCDLLBLJ-UHFFFAOYSA-N 0 0 303.724 3.062 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000188250000 432714763 /nfs/dbraw/zinc/71/47/63/432714763.db2.gz VFKVEYDTUUWHOM-JTQLQIEISA-N 0 0 318.236 3.006 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000265644217 432717062 /nfs/dbraw/zinc/71/70/62/432717062.db2.gz VRVNJVUJHKCDNG-UHFFFAOYSA-N 0 0 312.417 3.022 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000188419264 432723462 /nfs/dbraw/zinc/72/34/62/432723462.db2.gz INKQRTJMAUROGV-LRDDRELGSA-N 0 0 309.356 3.467 10 30 DGEERN COc1ccc(O)cc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000187705106 432678380 /nfs/dbraw/zinc/67/83/80/432678380.db2.gz SUMWLVVUPVXWSC-UHFFFAOYSA-N 0 0 322.364 3.077 10 30 DGEERN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000159577056 432689053 /nfs/dbraw/zinc/68/90/53/432689053.db2.gz YYSOEZTVGUFYME-HZMBPMFUSA-N 0 0 310.319 3.302 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000187864352 432689719 /nfs/dbraw/zinc/68/97/19/432689719.db2.gz JPVQAMHXEGUEDD-INIZCTEOSA-N 0 0 317.414 3.372 10 30 DGEERN C=CCC[C@@H](C(=O)NCc1cccc(OC)n1)c1ccccc1 ZINC000188841643 432748402 /nfs/dbraw/zinc/74/84/02/432748402.db2.gz PHMDBBDZVXFWJY-QGZVFWFLSA-N 0 0 310.397 3.456 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000189068864 432762267 /nfs/dbraw/zinc/76/22/67/432762267.db2.gz SPHOOCQFUCRHRJ-SJCJKPOMSA-N 0 0 309.381 3.240 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000189068841 432762386 /nfs/dbraw/zinc/76/23/86/432762386.db2.gz SPHOOCQFUCRHRJ-SJKOYZFVSA-N 0 0 309.381 3.240 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000178736009 432771889 /nfs/dbraw/zinc/77/18/89/432771889.db2.gz WISSTOISWPDFAU-OAHLLOKOSA-N 0 0 308.381 3.202 10 30 DGEERN COc1ccc2[nH]c(C(=O)NCc3cc(C#N)ccc3F)cc2c1 ZINC000189335728 432779132 /nfs/dbraw/zinc/77/91/32/432779132.db2.gz QLLKRRHACDXGKQ-UHFFFAOYSA-N 0 0 323.327 3.117 10 30 DGEERN COc1cccc(N2CCC[C@H](Nc3nc(C)ccc3C#N)C2)c1 ZINC000161488425 432781219 /nfs/dbraw/zinc/78/12/19/432781219.db2.gz GTURQTVJNWISJS-INIZCTEOSA-N 0 0 322.412 3.351 10 30 DGEERN N#Cc1ccc(C2(C(=O)NC[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000188489517 432728312 /nfs/dbraw/zinc/72/83/12/432728312.db2.gz NZRFOJRABSHNKC-INIZCTEOSA-N 0 0 302.377 3.046 10 30 DGEERN C=CC[C@@H](C(=O)N[C@@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000188508611 432728907 /nfs/dbraw/zinc/72/89/07/432728907.db2.gz OEBVKWXIFPFKMV-HZPDHXFCSA-N 0 0 324.428 3.152 10 30 DGEERN C=CC[C@H](C(=O)Nc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000188688520 432738387 /nfs/dbraw/zinc/73/83/87/432738387.db2.gz QBFZAVMXEVBEFH-INIZCTEOSA-N 0 0 310.353 3.167 10 30 DGEERN CC#CCCCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188750685 432744235 /nfs/dbraw/zinc/74/42/35/432744235.db2.gz HDKISUILCVUYNL-UHFFFAOYSA-N 0 0 318.848 3.008 10 30 DGEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C#N)C1CC1 ZINC000161677680 432791363 /nfs/dbraw/zinc/79/13/63/432791363.db2.gz GNQTWAOZTPTYQO-CYBMUJFWSA-N 0 0 324.302 3.302 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000277324798 432838378 /nfs/dbraw/zinc/83/83/78/432838378.db2.gz FZYINHWMVDOEQC-UHFFFAOYSA-N 0 0 310.397 3.273 10 30 DGEERN N#Cc1ccc(C[S@](=O)Cc2nc(C3CCCC3)no2)cc1 ZINC000154401443 292679355 /nfs/dbraw/zinc/67/93/55/292679355.db2.gz OYHKYRBYVVMHJB-JOCHJYFZSA-N 0 0 315.398 3.048 10 30 DGEERN COc1ccc(F)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189697539 432811875 /nfs/dbraw/zinc/81/18/75/432811875.db2.gz IQBTZKIMIKWTQY-UHFFFAOYSA-N 0 0 310.328 3.376 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245514958 432838957 /nfs/dbraw/zinc/83/89/57/432838957.db2.gz CUQNUEQUZCOFOF-HOTGVXAUSA-N 0 0 321.852 3.303 10 30 DGEERN N#Cc1c(F)cccc1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162148442 432814963 /nfs/dbraw/zinc/81/49/63/432814963.db2.gz IUFSTOIKJQUEIV-UHFFFAOYSA-N 0 0 307.332 3.137 10 30 DGEERN C=CC[C@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000189729149 432815208 /nfs/dbraw/zinc/81/52/08/432815208.db2.gz OPORLTIHTWLLRF-IBGZPJMESA-N 0 0 323.440 3.482 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000245865265 432866019 /nfs/dbraw/zinc/86/60/19/432866019.db2.gz PZTHEMIXHCMFQK-CWRNSKLLSA-N 0 0 315.413 3.422 10 30 DGEERN CC(C)n1cc2cc(NC(=O)N[C@@H]3CCCOC3)ccc2n1 ZINC000329917403 432883092 /nfs/dbraw/zinc/88/30/92/432883092.db2.gz FHCSDIHOEBEQGF-CQSZACIVSA-N 0 0 302.378 3.122 10 30 DGEERN CC[C@H](NC(=O)NC[C@H]1CCc2nccn2C1)c1cccs1 ZINC000329953620 432884438 /nfs/dbraw/zinc/88/44/38/432884438.db2.gz NGWFFJLWPAHYKL-OLZOCXBDSA-N 0 0 318.446 3.162 10 30 DGEERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CC2CCC2)on1 ZINC000329978741 432886811 /nfs/dbraw/zinc/88/68/11/432886811.db2.gz IDCISTNTLCEUFF-KBPBESRZSA-N 0 0 309.385 3.042 10 30 DGEERN CCCn1nccc1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330024984 432888735 /nfs/dbraw/zinc/88/87/35/432888735.db2.gz KEIFIXWFIAUFRO-UHFFFAOYSA-N 0 0 318.421 3.157 10 30 DGEERN COc1ccc(Cl)cc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330112403 432893105 /nfs/dbraw/zinc/89/31/05/432893105.db2.gz BWCVWULUAPUBNA-AWEZNQCLSA-N 0 0 310.781 3.005 10 30 DGEERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000245613767 432850179 /nfs/dbraw/zinc/85/01/79/432850179.db2.gz LONJWUQRCVSTTI-IFUGULHKSA-N 0 0 304.777 3.026 10 30 DGEERN C#CCOc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000277468923 432852381 /nfs/dbraw/zinc/85/23/81/432852381.db2.gz PTILVRSYVGBNSU-LBPRGKRZSA-N 0 0 311.303 3.113 10 30 DGEERN C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245659610 432853917 /nfs/dbraw/zinc/85/39/17/432853917.db2.gz PJOFTVDUSMKQJX-ZWKOTPCHSA-N 0 0 320.396 3.125 10 30 DGEERN C#Cc1ccc(CNC(=O)NCc2ccccc2COCC)cc1 ZINC000296623437 432923840 /nfs/dbraw/zinc/92/38/40/432923840.db2.gz QKCOPVJTWOFOPT-UHFFFAOYSA-N 0 0 322.408 3.204 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C)nc1C ZINC000289136957 432925423 /nfs/dbraw/zinc/92/54/23/432925423.db2.gz TXUBPOZZEXSJKR-KRWDZBQOSA-N 0 0 307.397 3.455 10 30 DGEERN C[C@H](CC1CCCCC1)NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000330213993 432897292 /nfs/dbraw/zinc/89/72/92/432897292.db2.gz FUVXIEGYECJSJI-CYBMUJFWSA-N 0 0 317.433 3.418 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](O)[C@H]2C)c1 ZINC000296384241 432902614 /nfs/dbraw/zinc/90/26/14/432902614.db2.gz FXFBCHJWYJWCTO-CZUORRHYSA-N 0 0 304.390 3.019 10 30 DGEERN C=CCN(CC=C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000297159817 432967512 /nfs/dbraw/zinc/96/75/12/432967512.db2.gz AEUCGBJRJZQCCB-UHFFFAOYSA-N 0 0 313.323 3.027 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000297182918 432969453 /nfs/dbraw/zinc/96/94/53/432969453.db2.gz AXLGRSZFPCEMAO-KRWDZBQOSA-N 0 0 314.429 3.157 10 30 DGEERN C=CCCCN(C)Cc1ncc(I)s1 ZINC000290060808 432986248 /nfs/dbraw/zinc/98/62/48/432986248.db2.gz PIPYWKPACVNNEZ-UHFFFAOYSA-N 0 0 322.215 3.146 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000297512650 432997532 /nfs/dbraw/zinc/99/75/32/432997532.db2.gz GZKCAIFWMNMKQI-GOSISDBHSA-N 0 0 307.397 3.053 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449902039 292705447 /nfs/dbraw/zinc/70/54/47/292705447.db2.gz ITOYYJJNIKKCOJ-GJZGRUSLSA-N 0 0 307.397 3.223 10 30 DGEERN C=C(C)C[C@@H](C)c1nc([C@H]2CC(=O)N(CC3CCC3)C2)no1 ZINC000290182866 433009287 /nfs/dbraw/zinc/00/92/87/433009287.db2.gz VPRZSDKVZRHKRG-OCCSQVGLSA-N 0 0 303.406 3.255 10 30 DGEERN C=CC[C@@H]1N(C(=O)NCc2nccn2CC)CCCC1(C)C ZINC000298167541 433050692 /nfs/dbraw/zinc/05/06/92/433050692.db2.gz QJSFFXGIXGVOJP-AWEZNQCLSA-N 0 0 304.438 3.179 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412118686 433059909 /nfs/dbraw/zinc/05/99/09/433059909.db2.gz FBCBJDOBSKKTCN-UHFFFAOYSA-N 0 0 306.362 3.420 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2ccccc2OC2CCC2)C1=O ZINC000419980814 433091917 /nfs/dbraw/zinc/09/19/17/433091917.db2.gz RJYARQQQURUWHF-HNNXBMFYSA-N 0 0 314.385 3.005 10 30 DGEERN C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298319805 433092711 /nfs/dbraw/zinc/09/27/11/433092711.db2.gz RYISUFNRXWVNNJ-YVEFUNNKSA-N 0 0 319.836 3.141 10 30 DGEERN C=CCN1C(=O)N(C[C@@H]2C[C@H]2C2CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000420055390 433100376 /nfs/dbraw/zinc/10/03/76/433100376.db2.gz GONZNHTYINHEPG-OKZBNKHCSA-N 0 0 324.424 3.094 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N(CC)CCc1nccs1 ZINC000290564258 433095151 /nfs/dbraw/zinc/09/51/51/433095151.db2.gz ZJJXXJLYCTWPPJ-UHFFFAOYSA-N 0 0 317.462 3.257 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000373208251 433131103 /nfs/dbraw/zinc/13/11/03/433131103.db2.gz RKBYENBFLVEZJR-SJLPKXTDSA-N 0 0 323.396 3.372 10 30 DGEERN C[C@H](C#N)CN(C)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373918461 433169476 /nfs/dbraw/zinc/16/94/76/433169476.db2.gz DBWOSUDUTRJRMA-UXIGCNINSA-N 0 0 305.809 3.387 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CC=CCC1 ZINC000453442667 433187831 /nfs/dbraw/zinc/18/78/31/433187831.db2.gz PZANLLDGNIHWCN-HOTGVXAUSA-N 0 0 316.449 3.498 10 30 DGEERN C=CCn1c(N(C)[C@H](C)c2ccco2)nnc1[C@]1(C)CCCO1 ZINC000453443623 433191781 /nfs/dbraw/zinc/19/17/81/433191781.db2.gz RBSZZAYLAUMRGJ-DYVFJYSZSA-N 0 0 316.405 3.280 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453449695 433195103 /nfs/dbraw/zinc/19/51/03/433195103.db2.gz FNSWTHHEQNGXIZ-CRAIPNDOSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)Cn1c(N2CC=C(C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453465255 433197587 /nfs/dbraw/zinc/19/75/87/433197587.db2.gz MFARGIQXFLVCIY-KRWDZBQOSA-N 0 0 302.422 3.036 10 30 DGEERN C=C(C)Cn1c(N2CCC(C)=C(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453464163 433198717 /nfs/dbraw/zinc/19/87/17/433198717.db2.gz KKCLTQNINGRFNG-SFHVURJKSA-N 0 0 316.449 3.426 10 30 DGEERN C=C(C)Cn1c(N(C)CCC2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453470362 433201967 /nfs/dbraw/zinc/20/19/67/433201967.db2.gz PTNRVBNHIHVZDT-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC000290916533 433206126 /nfs/dbraw/zinc/20/61/26/433206126.db2.gz PYZRNHIYSNLSAA-MWLCHTKSSA-N 0 0 303.280 3.009 10 30 DGEERN C=C(C)COc1cc(CNc2ncc(OC)cn2)ccc1OC ZINC000290951903 433212806 /nfs/dbraw/zinc/21/28/06/433212806.db2.gz MYFISVFBMMRCFR-UHFFFAOYSA-N 0 0 315.373 3.061 10 30 DGEERN C=CCN(Cc1ccccc1F)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425406813 433229090 /nfs/dbraw/zinc/22/90/90/433229090.db2.gz NHVIPHZJOJWJEM-INIZCTEOSA-N 0 0 304.409 3.213 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000412664445 433247725 /nfs/dbraw/zinc/24/77/25/433247725.db2.gz XOXVCQAMPAEMSP-AUUYWEPGSA-N 0 0 313.397 3.225 10 30 DGEERN C=CCC[C@H](NC(=O)N1C[C@@H](O)CC[C@H]1C)c1ccccc1 ZINC000420823715 433273863 /nfs/dbraw/zinc/27/38/63/433273863.db2.gz VZWNMPHLPTYGQW-PVAVHDDUSA-N 0 0 302.418 3.249 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374793550 433279405 /nfs/dbraw/zinc/27/94/05/433279405.db2.gz LKXOTMFLEJVTNC-PKOBYXMFSA-N 0 0 316.445 3.077 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000281321748 433287143 /nfs/dbraw/zinc/28/71/43/433287143.db2.gz QASJMKGLWMJHPA-LLVKDONJSA-N 0 0 316.323 3.241 10 30 DGEERN C=CCCC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)CCC=C ZINC000338256992 433287598 /nfs/dbraw/zinc/28/75/98/433287598.db2.gz ZPCOJRCGCDVMHH-HZPDHXFCSA-N 0 0 306.450 3.147 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000425548827 433294701 /nfs/dbraw/zinc/29/47/01/433294701.db2.gz XDMWFAVRWLAUTE-KSZLIROESA-N 0 0 314.429 3.071 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000425563935 433302951 /nfs/dbraw/zinc/30/29/51/433302951.db2.gz KIVZSHDASXEQBR-DKIMLUQUSA-N 0 0 314.429 3.165 10 30 DGEERN C=CCCOCCNC(=O)Nc1ccc(Cl)cc1COC ZINC000425714594 433350410 /nfs/dbraw/zinc/35/04/10/433350410.db2.gz HVWQRFYRAIGXMT-UHFFFAOYSA-N 0 0 312.797 3.201 10 30 DGEERN C=CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000448034648 433354281 /nfs/dbraw/zinc/35/42/81/433354281.db2.gz KENNYBFZDXXOTH-UHFFFAOYSA-N 0 0 310.319 3.322 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCCOc1ccccc1 ZINC000299253837 433360040 /nfs/dbraw/zinc/36/00/40/433360040.db2.gz APKAMBDJPSBHCE-UHFFFAOYSA-N 0 0 301.308 3.423 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccc(OC)cc1 ZINC000299313021 433364194 /nfs/dbraw/zinc/36/41/94/433364194.db2.gz UCOHHVVDOFSDSH-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c1cccc2Cl ZINC000425859884 433364859 /nfs/dbraw/zinc/36/48/59/433364859.db2.gz SDICLBIKEOKJQZ-NHYWBVRUSA-N 0 0 306.793 3.003 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000425926805 433373231 /nfs/dbraw/zinc/37/32/31/433373231.db2.gz JNKHUESEURZCJC-QGZVFWFLSA-N 0 0 324.428 3.431 10 30 DGEERN C=CCCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000447939353 433330520 /nfs/dbraw/zinc/33/05/20/433330520.db2.gz JZMIONOJOVYWAR-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN C=CCCCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000447965184 433332961 /nfs/dbraw/zinc/33/29/61/433332961.db2.gz ONLQXGQCSFAHGJ-UHFFFAOYSA-N 0 0 318.204 3.033 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C1(CF)CCOCC1 ZINC000413987163 433336767 /nfs/dbraw/zinc/33/67/67/433336767.db2.gz NAOJOWKBKJWHPQ-MRXNPFEDSA-N 0 0 305.393 3.056 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1OC ZINC000413993379 433339877 /nfs/dbraw/zinc/33/98/77/433339877.db2.gz ZIENSYZMEPTRDC-FGTMMUONSA-N 0 0 301.430 3.495 10 30 DGEERN C=CCCCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000447993542 433341983 /nfs/dbraw/zinc/34/19/83/433341983.db2.gz RLAUZHUMOHCLHW-UHFFFAOYSA-N 0 0 310.438 3.152 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sccc2[C@H]1C ZINC000281803448 433386008 /nfs/dbraw/zinc/38/60/08/433386008.db2.gz MVMHCAIAGMDRHJ-WWGRRREGSA-N 0 0 320.458 3.358 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000448375794 433403000 /nfs/dbraw/zinc/40/30/00/433403000.db2.gz NPXCBSRYBYOASH-UHFFFAOYSA-N 0 0 324.380 3.500 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000426048322 433412579 /nfs/dbraw/zinc/41/25/79/433412579.db2.gz ISCXBGQPRAGNRB-CABCVRRESA-N 0 0 304.438 3.238 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCCOc1ccc(F)cc1F ZINC000301170528 433440995 /nfs/dbraw/zinc/44/09/95/433440995.db2.gz DJXOYUGEYIFOGB-UHFFFAOYSA-N 0 0 319.267 3.236 10 30 DGEERN C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281957116 433441270 /nfs/dbraw/zinc/44/12/70/433441270.db2.gz FXZBLOPBRLMERZ-IBGZPJMESA-N 0 0 319.452 3.451 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000448614448 433456846 /nfs/dbraw/zinc/45/68/46/433456846.db2.gz IAAMTBQCUQGMQF-CYBMUJFWSA-N 0 0 315.373 3.003 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000448622435 433461242 /nfs/dbraw/zinc/46/12/42/433461242.db2.gz NUULMTQEMOODQF-UHFFFAOYSA-N 0 0 307.397 3.139 10 30 DGEERN C=CCC1(c2nc([C@@H]3CCOC(C)(C)C3)no2)CCOCC1 ZINC000351312133 433468274 /nfs/dbraw/zinc/46/82/74/433468274.db2.gz PCDQWWPDJBHDRQ-CYBMUJFWSA-N 0 0 306.406 3.367 10 30 DGEERN C=CCOCCCC(=O)NCCc1c(C)oc2ccccc21 ZINC000362000117 433484039 /nfs/dbraw/zinc/48/40/39/433484039.db2.gz CFHIQYDHBHLTDR-UHFFFAOYSA-N 0 0 301.386 3.383 10 30 DGEERN C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000277137885 290482272 /nfs/dbraw/zinc/48/22/72/290482272.db2.gz DHDIMIMILNYMHX-UQOODKLHSA-N 0 0 324.424 3.315 10 30 DGEERN N#Cc1cc(N2CCC(CN3CCc4ccccc43)CC2)ccn1 ZINC000342226320 433552095 /nfs/dbraw/zinc/55/20/95/433552095.db2.gz QFXOPHKNUPFKLX-UHFFFAOYSA-N 0 0 318.424 3.232 10 30 DGEERN C=CCn1c(SCC2CCC(O)CC2)nnc1-c1ccco1 ZINC000292382375 433561068 /nfs/dbraw/zinc/56/10/68/433561068.db2.gz UMOIEGKFAJAJAJ-UHFFFAOYSA-N 0 0 319.430 3.367 10 30 DGEERN COc1cc(F)c([N+](=O)[O-])c(NCc2cc(C#N)ccc2F)c1 ZINC000301457236 433566466 /nfs/dbraw/zinc/56/64/66/433566466.db2.gz CJOCXVBPOGNVRY-UHFFFAOYSA-N 0 0 319.267 3.365 10 30 DGEERN CCS[C@@H]1CC[C@@]1(O)CNc1cc(C#N)nc2ccccc21 ZINC000301478568 433573545 /nfs/dbraw/zinc/57/35/45/433573545.db2.gz CJZFVZLEVHFYQT-IAGOWNOFSA-N 0 0 313.426 3.165 10 30 DGEERN CCS[C@@H]1CC[C@]1(O)CNc1c(C#N)cnc2ccccc21 ZINC000301493715 433577741 /nfs/dbraw/zinc/57/77/41/433577741.db2.gz RCYVRCOMYFLIHE-WBVHZDCISA-N 0 0 313.426 3.165 10 30 DGEERN C=CCC[C@H]1NC(=O)N(c2nc(CC)c(C(C)(C)C)s2)C1=O ZINC000414387089 433587034 /nfs/dbraw/zinc/58/70/34/433587034.db2.gz ZVDFKOVUHIYELV-LLVKDONJSA-N 0 0 321.446 3.394 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1C(F)(F)F ZINC000448780357 433543915 /nfs/dbraw/zinc/54/39/15/433543915.db2.gz CVAXOTACEBOFFV-JTQLQIEISA-N 0 0 321.302 3.407 10 30 DGEERN Cc1oc(C#N)cc1C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000376004743 433636706 /nfs/dbraw/zinc/63/67/06/433636706.db2.gz UABPWANGJCEYDQ-UHFFFAOYSA-N 0 0 323.396 3.106 10 30 DGEERN CC[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000162514383 292855110 /nfs/dbraw/zinc/85/51/10/292855110.db2.gz RLGITQKNZJCHQJ-CQSZACIVSA-N 0 0 314.414 3.307 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C1CCOCC1 ZINC000162962016 292861685 /nfs/dbraw/zinc/86/16/85/292861685.db2.gz DZIPKEBRPXFEMX-OAHLLOKOSA-N 0 0 314.429 3.360 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282956340 433643576 /nfs/dbraw/zinc/64/35/76/433643576.db2.gz UKAQBCDDPAYFIY-GOEBONIOSA-N 0 0 315.417 3.011 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000292810793 433597993 /nfs/dbraw/zinc/59/79/93/433597993.db2.gz OCQLUNGMWYXOOY-UHFFFAOYSA-N 0 0 315.339 3.251 10 30 DGEERN C=CCNC(=O)c1ccc(N[C@H](C)c2ncc(CC)s2)nc1 ZINC000301568900 433614661 /nfs/dbraw/zinc/61/46/61/433614661.db2.gz QRAMRQDYQGNKAN-LLVKDONJSA-N 0 0 316.430 3.189 10 30 DGEERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1C#N ZINC000362345709 433655257 /nfs/dbraw/zinc/65/52/57/433655257.db2.gz OXUHWOLTWWBGKE-UHFFFAOYSA-N 0 0 301.327 3.343 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000376105194 433666724 /nfs/dbraw/zinc/66/67/24/433666724.db2.gz WRXFNKHVWAHZQR-KRWDZBQOSA-N 0 0 301.353 3.253 10 30 DGEERN C[C@H](Nc1cccc(F)c1C#N)c1cn(-c2ccccc2)nn1 ZINC000301674415 433669694 /nfs/dbraw/zinc/66/96/94/433669694.db2.gz RRPUIJWUQZZPOA-LBPRGKRZSA-N 0 0 307.332 3.451 10 30 DGEERN CC(C)[C@@H](Nc1ccc(C#N)cn1)c1nc(-c2cccnc2)no1 ZINC000301697896 433682815 /nfs/dbraw/zinc/68/28/15/433682815.db2.gz CVCGXZNUINBTNW-OAHLLOKOSA-N 0 0 320.356 3.207 10 30 DGEERN C=CCSc1ccccc1C(=O)NCc1cnc(CC)o1 ZINC000456495051 433693278 /nfs/dbraw/zinc/69/32/78/433693278.db2.gz TZUMPBIAMGEMAC-UHFFFAOYSA-N 0 0 302.399 3.445 10 30 DGEERN C=C[C@H](CC(=O)Nc1cccnc1C(=O)OC)c1ccccc1 ZINC000427329424 433689872 /nfs/dbraw/zinc/68/98/72/433689872.db2.gz SAEMSDDAYDDDLK-CYBMUJFWSA-N 0 0 310.353 3.167 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414530198 433695947 /nfs/dbraw/zinc/69/59/47/433695947.db2.gz RBVRLIUXVWBSTF-KBPBESRZSA-N 0 0 312.442 3.134 10 30 DGEERN C=C(C)Cn1c(N2CCO[C@H](C3CCC3)C2)nnc1C(C)(C)C ZINC000414539307 433702374 /nfs/dbraw/zinc/70/23/74/433702374.db2.gz NAYUAOARVAZRDM-HNNXBMFYSA-N 0 0 318.465 3.157 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1OC(C)C ZINC000421718693 433703871 /nfs/dbraw/zinc/70/38/71/433703871.db2.gz OYXXCRKEEISCFX-LBPRGKRZSA-N 0 0 304.390 3.114 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000414546601 433706611 /nfs/dbraw/zinc/70/66/11/433706611.db2.gz YGFVHCAKWRLLJL-CVEARBPZSA-N 0 0 320.481 3.040 10 30 DGEERN C=CCCOCCCCC(=O)N1CCOCC12CCCCC2 ZINC000456521540 433708682 /nfs/dbraw/zinc/70/86/82/433708682.db2.gz LFQMTSRWNCGIBW-UHFFFAOYSA-N 0 0 309.450 3.311 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC000414546604 433708704 /nfs/dbraw/zinc/70/87/04/433708704.db2.gz YGFVHCAKWRLLJL-JKSUJKDBSA-N 0 0 320.481 3.040 10 30 DGEERN C=CCCCCCCCCNC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000376439853 433740465 /nfs/dbraw/zinc/74/04/65/433740465.db2.gz DNRIJBBVFURYDN-ALOPSCKCSA-N 0 0 321.461 3.261 10 30 DGEERN N#Cc1ccc(Cl)cc1N1CCN(CC2CCCC2)C(=O)C1 ZINC000301826470 433745029 /nfs/dbraw/zinc/74/50/29/433745029.db2.gz PAXOWFCYMPBDEY-UHFFFAOYSA-N 0 0 317.820 3.050 10 30 DGEERN C=CCC[C@H](NC(=O)c1cccc2ccccc21)C(=O)OCC ZINC000456627090 433753563 /nfs/dbraw/zinc/75/35/63/433753563.db2.gz MQUXSDQOIVTBGQ-KRWDZBQOSA-N 0 0 311.381 3.468 10 30 DGEERN C=C[C@H](C)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000362589951 433772969 /nfs/dbraw/zinc/77/29/69/433772969.db2.gz WRICGXQRLQUSHF-LBPRGKRZSA-N 0 0 315.442 3.203 10 30 DGEERN CC1(C#N)CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000356980357 433796676 /nfs/dbraw/zinc/79/66/76/433796676.db2.gz SRMHJWSAXYZTFI-UHFFFAOYSA-N 0 0 313.332 3.247 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@@H]1CNc1c(Cl)cccc1C#N ZINC000362662963 433811219 /nfs/dbraw/zinc/81/12/19/433811219.db2.gz KCUVNYQDSLYDCS-MLGOLLRUSA-N 0 0 316.792 3.135 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CCC)c1ccccc1 ZINC000284019193 433819474 /nfs/dbraw/zinc/81/94/74/433819474.db2.gz ICUZGSJVWMFNFS-MRXNPFEDSA-N 0 0 302.418 3.069 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)C[C@H]1CSc2ccccc2O1 ZINC000449828463 433822874 /nfs/dbraw/zinc/82/28/74/433822874.db2.gz XEDPQCBLZKWRMD-SUMWQHHRSA-N 0 0 318.442 3.374 10 30 DGEERN Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)nc1C#N ZINC000302608266 433827299 /nfs/dbraw/zinc/82/72/99/433827299.db2.gz DNLUGWXRLOPGNW-HNNXBMFYSA-N 0 0 307.353 3.332 10 30 DGEERN CC1(C)CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC2(CCCC2)O1 ZINC000302653087 433829522 /nfs/dbraw/zinc/82/95/22/433829522.db2.gz KGFQEGCVTHBZPN-UHFFFAOYSA-N 0 0 315.373 3.394 10 30 DGEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)c(Br)c1 ZINC000302618496 433830116 /nfs/dbraw/zinc/83/01/16/433830116.db2.gz PHJIQJDWEQUSBZ-HZMBPMFUSA-N 0 0 309.207 3.240 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)OC ZINC000284150470 433845697 /nfs/dbraw/zinc/84/56/97/433845697.db2.gz PLRIFHZQDWQLLJ-LSDHHAIUSA-N 0 0 303.402 3.179 10 30 DGEERN N#Cc1nc(NCCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000302737203 433846251 /nfs/dbraw/zinc/84/62/51/433846251.db2.gz PRAFQUOZKHBHFF-UHFFFAOYSA-N 0 0 302.721 3.169 10 30 DGEERN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C#N)n1C ZINC000449875765 433847567 /nfs/dbraw/zinc/84/75/67/433847567.db2.gz ZUHOISLASCSJLJ-INIZCTEOSA-N 0 0 307.397 3.053 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456833277 433850008 /nfs/dbraw/zinc/85/00/08/433850008.db2.gz JZELZTZWIWFFPI-KBMXLJTQSA-N 0 0 307.340 3.219 10 30 DGEERN C=CCOc1ccccc1CNc1nnc(-c2ccoc2C)o1 ZINC000352009635 433852196 /nfs/dbraw/zinc/85/21/96/433852196.db2.gz WJUZVQVALJHOGN-UHFFFAOYSA-N 0 0 311.341 3.815 10 30 DGEERN C=CCCCCNC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434079725 433857515 /nfs/dbraw/zinc/85/75/15/433857515.db2.gz FPMIZTVKAOLSIA-UHFFFAOYSA-N 0 0 303.337 3.959 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1Cl ZINC000362793988 433862873 /nfs/dbraw/zinc/86/28/73/433862873.db2.gz KIHMRZZJOREXBU-IUODEOHRSA-N 0 0 307.777 3.462 10 30 DGEERN CSc1cccc(C(=O)N[C@](C)(C#N)CC(C)C)c1[N+](=O)[O-] ZINC000362816771 433871121 /nfs/dbraw/zinc/87/11/21/433871121.db2.gz FEOJRYKMXBGDAN-HNNXBMFYSA-N 0 0 321.402 3.375 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1ccc(C)c(C(=O)N[C@@H](C)CC=C)c1 ZINC000449920908 433871448 /nfs/dbraw/zinc/87/14/48/433871448.db2.gz CVFRDJSMWSONKM-CABCVRRESA-N 0 0 314.429 3.384 10 30 DGEERN COc1cccc([C@@H]2CN(c3c(C#N)cccc3C#N)CCO2)c1 ZINC000302911329 433908245 /nfs/dbraw/zinc/90/82/45/433908245.db2.gz ZOSHYUXPSYSBMM-SFHVURJKSA-N 0 0 319.364 3.016 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000450020006 433929565 /nfs/dbraw/zinc/92/95/65/433929565.db2.gz SKSNBPHRNMGYFQ-VDNDLQMASA-N 0 0 303.377 3.326 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000450040349 433940589 /nfs/dbraw/zinc/94/05/89/433940589.db2.gz OQLFFCYNQMUIQZ-KURKYZTESA-N 0 0 319.420 3.442 10 30 DGEERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)C#N ZINC000294155560 434019203 /nfs/dbraw/zinc/01/92/03/434019203.db2.gz ALVPIBJWSKPIDN-IUCAKERBSA-N 0 0 301.173 3.131 10 30 DGEERN COCCN(CC#N)C(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000457202265 434050059 /nfs/dbraw/zinc/05/00/59/434050059.db2.gz IJAABKKRKMRCQK-PLNGDYQASA-N 0 0 300.402 3.212 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2ccc(C#N)c([N+](=O)[O-])c2)c1 ZINC000357502140 434053273 /nfs/dbraw/zinc/05/32/73/434053273.db2.gz KGWRIOPXZHIYHY-UHFFFAOYSA-N 0 0 310.313 3.193 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CC(C(C)(C)C)C2)c(OC)c1 ZINC000457330878 434106525 /nfs/dbraw/zinc/10/65/25/434106525.db2.gz PRJADDDJCKBXRF-UHFFFAOYSA-N 0 0 317.429 3.307 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C[C@H]2CCOC[C@H]2OC)c1 ZINC000294495172 434116854 /nfs/dbraw/zinc/11/68/54/434116854.db2.gz GPFXOSCHMCUGQL-RHSMWYFYSA-N 0 0 319.401 3.022 10 30 DGEERN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)ccn1 ZINC000285996268 434133302 /nfs/dbraw/zinc/13/33/02/434133302.db2.gz CZYZYRXWMTZCON-QRVBRYPASA-N 0 0 317.392 3.362 10 30 DGEERN CC(C)(C)C(C)(C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000313514810 434133845 /nfs/dbraw/zinc/13/38/45/434133845.db2.gz KTRNOFFFQTXTTI-UHFFFAOYSA-N 0 0 314.838 3.315 10 30 DGEERN C=CCNC(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000457397195 434147294 /nfs/dbraw/zinc/14/72/94/434147294.db2.gz BYHAAVCKQVDHIT-UHFFFAOYSA-N 0 0 300.280 3.060 10 30 DGEERN C=CCN(C(=O)N[C@@H](C)c1ccccc1-n1cccn1)C1CC1 ZINC000378392479 434168602 /nfs/dbraw/zinc/16/86/02/434168602.db2.gz SQZIHEAXXIWXGP-AWEZNQCLSA-N 0 0 310.401 3.293 10 30 DGEERN C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000286127279 434170506 /nfs/dbraw/zinc/17/05/06/434170506.db2.gz WERNHMBEZLTHQP-UHFFFAOYSA-N 0 0 310.397 3.099 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(NC[C@H](CO)C3CC3)c2c1 ZINC000357777313 434171670 /nfs/dbraw/zinc/17/16/70/434171670.db2.gz ZIXVAJIHHUDWBG-CYBMUJFWSA-N 0 0 315.804 3.499 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(OC)c1C ZINC000286184073 434188147 /nfs/dbraw/zinc/18/81/47/434188147.db2.gz BECRTLIHDZLPAO-UHFFFAOYSA-N 0 0 317.307 3.203 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)CCCc1ncc(C)o1 ZINC000450483201 434216024 /nfs/dbraw/zinc/21/60/24/434216024.db2.gz FCMBCUOLHNIHDA-UHFFFAOYSA-N 0 0 302.374 3.156 10 30 DGEERN Cn1ccc([C@H](NCc2cccc(C#N)c2)c2ccc(F)cc2)n1 ZINC000378396381 434166971 /nfs/dbraw/zinc/16/69/71/434166971.db2.gz NJKDQOPVKGKICP-LJQANCHMSA-N 0 0 320.371 3.310 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)[nH]1 ZINC000437280546 434244081 /nfs/dbraw/zinc/24/40/81/434244081.db2.gz IYTWYNVMSBQKOC-FUHWJXTLSA-N 0 0 301.349 3.325 10 30 DGEERN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc(C#N)n2C)c1 ZINC000450555067 434261537 /nfs/dbraw/zinc/26/15/37/434261537.db2.gz LHCPRIUZNSLWPR-UGSOOPFHSA-N 0 0 323.396 3.129 10 30 DGEERN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc(C#N)n2C)c1 ZINC000450555061 434261641 /nfs/dbraw/zinc/26/16/41/434261641.db2.gz LHCPRIUZNSLWPR-ACJLOTCBSA-N 0 0 323.396 3.129 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000437493125 434270419 /nfs/dbraw/zinc/27/04/19/434270419.db2.gz SEUBVLWMEYXBIO-GKKDWNQVSA-N 0 0 321.367 3.166 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC000437493865 434271158 /nfs/dbraw/zinc/27/11/58/434271158.db2.gz GBASLBXJSBENTO-IAQYHMDHSA-N 0 0 311.784 3.499 10 30 DGEERN CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000383271303 434282308 /nfs/dbraw/zinc/28/23/08/434282308.db2.gz GDIJQUJNCLIOQO-UHFFFAOYSA-N 0 0 314.838 3.315 10 30 DGEERN CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2cccnc2C)C1 ZINC000364873885 434285732 /nfs/dbraw/zinc/28/57/32/434285732.db2.gz URMGWVVECXODQB-YVLHZVERSA-N 0 0 306.365 3.018 10 30 DGEERN CC(=O)Nc1ccn([C@@H]2CCN(C(=O)C3=CCCCCC3)C2)n1 ZINC000328612299 434286466 /nfs/dbraw/zinc/28/64/66/434286466.db2.gz OICNCFVUPZEYFU-OAHLLOKOSA-N 0 0 316.405 3.155 10 30 DGEERN C=C[C@@H](C)NC(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000348367964 434292706 /nfs/dbraw/zinc/29/27/06/434292706.db2.gz KCKJBWFHLZXYEO-CQSZACIVSA-N 0 0 312.417 3.369 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Cc2cccs2)cn1 ZINC000328620370 434293038 /nfs/dbraw/zinc/29/30/38/434293038.db2.gz GYGUQNUQLROOFD-GOEBONIOSA-N 0 0 319.430 3.384 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccsc2)cn1 ZINC000328635160 434293167 /nfs/dbraw/zinc/29/31/67/434293167.db2.gz UPIOJFAWZUNTGB-UONOGXRCSA-N 0 0 305.403 3.189 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H](CC(C)C)C1)CCC2 ZINC000328662972 434295825 /nfs/dbraw/zinc/29/58/25/434295825.db2.gz XRJMRKSVNGLFIR-HOTGVXAUSA-N 0 0 318.465 3.351 10 30 DGEERN CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000328657568 434298026 /nfs/dbraw/zinc/29/80/26/434298026.db2.gz PHNDQZGNBJPTAZ-CVEARBPZSA-N 0 0 318.465 3.495 10 30 DGEERN COC[C@@H](C)Nc1ccccc1NC(=O)c1sccc1C#N ZINC000437597455 434299588 /nfs/dbraw/zinc/29/95/88/434299588.db2.gz CLFUJXPEHLYUGU-LLVKDONJSA-N 0 0 315.398 3.319 10 30 DGEERN COC[C@H](C)Nc1ccccc1NC(=O)c1sccc1C#N ZINC000437597456 434301619 /nfs/dbraw/zinc/30/16/19/434301619.db2.gz CLFUJXPEHLYUGU-NSHDSACASA-N 0 0 315.398 3.319 10 30 DGEERN CN1C[C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)Cc2ccccc21 ZINC000328696843 434301984 /nfs/dbraw/zinc/30/19/84/434301984.db2.gz DJCUXHFBXQNJHI-SCLBCKFNSA-N 0 0 315.417 3.008 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1scnc1CC ZINC000287165915 434308901 /nfs/dbraw/zinc/30/89/01/434308901.db2.gz QOBYIHLDYYAHCG-CQSZACIVSA-N 0 0 313.426 3.462 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cn(C)nc1C(C)C ZINC000287196452 434309917 /nfs/dbraw/zinc/30/99/17/434309917.db2.gz OMBSIBILQIGVAG-INIZCTEOSA-N 0 0 324.428 3.300 10 30 DGEERN CC[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1F ZINC000328825671 434317023 /nfs/dbraw/zinc/31/70/23/434317023.db2.gz HOYJATJVNPUFRS-ARFHVFGLSA-N 0 0 324.371 3.487 10 30 DGEERN O=C(N[C@H](Cc1ccccc1)C1CC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328825547 434317481 /nfs/dbraw/zinc/31/74/81/434317481.db2.gz HMYOWDCZEVBPOK-KZNAEPCWSA-N 0 0 314.429 3.079 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](C)C1CCOCC1)CCC2 ZINC000328877288 434321348 /nfs/dbraw/zinc/32/13/48/434321348.db2.gz TYLMHDCFZAHGKC-ZFWWWQNUSA-N 0 0 305.422 3.088 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000437740931 434326543 /nfs/dbraw/zinc/32/65/43/434326543.db2.gz AYEKEURSNXRWEL-VQHPVUNQSA-N 0 0 308.466 3.483 10 30 DGEERN CC#CCN(C)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000457844135 434371323 /nfs/dbraw/zinc/37/13/23/434371323.db2.gz CKJSHBRGABKATL-UHFFFAOYSA-N 0 0 322.408 3.430 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCCCCC1)C2 ZINC000329311823 434389870 /nfs/dbraw/zinc/38/98/70/434389870.db2.gz ZTSDDGLERCPLBV-CQSZACIVSA-N 0 0 318.465 3.285 10 30 DGEERN C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000328961741 434336884 /nfs/dbraw/zinc/33/68/84/434336884.db2.gz QRRGYPNBKIZYLF-HGTKMLMNSA-N 0 0 305.422 3.281 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366144923 434343923 /nfs/dbraw/zinc/34/39/23/434343923.db2.gz TWSXABBZULCOSK-HNNXBMFYSA-N 0 0 316.449 3.045 10 30 DGEERN N#Cc1cc(NCCOCc2ccccc2)nc2ccccc12 ZINC000390019588 434355247 /nfs/dbraw/zinc/35/52/47/434355247.db2.gz CBRVYNQWFSZIOK-UHFFFAOYSA-N 0 0 303.365 3.735 10 30 DGEERN C[C@@H]1CN(C(=O)Nc2cn(C)nc2C2CC2)[C@H]2CCCC[C@H]12 ZINC000329607375 434443933 /nfs/dbraw/zinc/44/39/33/434443933.db2.gz IIGZTCLRRPQRQO-KYOSRNDESA-N 0 0 302.422 3.354 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1 ZINC000295503887 434394678 /nfs/dbraw/zinc/39/46/78/434394678.db2.gz DSQNDABKGZRKAJ-IFXJQAMLSA-N 0 0 322.408 3.049 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1 ZINC000295503880 434394918 /nfs/dbraw/zinc/39/49/18/434394918.db2.gz DSQNDABKGZRKAJ-AUUYWEPGSA-N 0 0 322.408 3.049 10 30 DGEERN C[C@@H]1c2ccccc2CN1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000329352810 434399227 /nfs/dbraw/zinc/39/92/27/434399227.db2.gz XSEPXZCVZWZNGA-ZIAGYGMSSA-N 0 0 310.401 3.251 10 30 DGEERN C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000358570665 434399399 /nfs/dbraw/zinc/39/93/99/434399399.db2.gz NOBUNYQHHGOURO-CYBMUJFWSA-N 0 0 317.408 3.139 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)c1ccncc1 ZINC000287610922 434408925 /nfs/dbraw/zinc/40/89/25/434408925.db2.gz ZGJDBXTXQWNTCC-APWZRJJASA-N 0 0 321.424 3.419 10 30 DGEERN O=C(Nc1csc(-c2ccccn2)n1)N1C[C@H]2CCC[C@H]21 ZINC000329455099 434413921 /nfs/dbraw/zinc/41/39/21/434413921.db2.gz PQUFYZYCWXINSN-ZYHUDNBSSA-N 0 0 300.387 3.235 10 30 DGEERN C=CC[C@H](CC)N1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000359184785 434414671 /nfs/dbraw/zinc/41/46/71/434414671.db2.gz VRCJQFOTFNZMLO-UONOGXRCSA-N 0 0 306.793 3.158 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000457976192 434422406 /nfs/dbraw/zinc/42/24/06/434422406.db2.gz VUUXROQAGMVLEL-KZNAEPCWSA-N 0 0 316.445 3.339 10 30 DGEERN C=CCOCCCC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000295606880 434424817 /nfs/dbraw/zinc/42/48/17/434424817.db2.gz PRXHZQWYCOFVCW-INIZCTEOSA-N 0 0 309.356 3.441 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000438255043 434440173 /nfs/dbraw/zinc/44/01/73/434440173.db2.gz MVZAPRPPDSRTJN-INIZCTEOSA-N 0 0 317.414 3.372 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000417606183 434462609 /nfs/dbraw/zinc/46/26/09/434462609.db2.gz DCVAKLFPYMMQME-LBPRGKRZSA-N 0 0 316.170 3.097 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](C=C)CCC(=O)[O-])cc1Cl ZINC000417621050 434469961 /nfs/dbraw/zinc/46/99/61/434469961.db2.gz DWZZLGJJFNAOIH-ZDUSSCGKSA-N 0 0 309.793 3.414 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000287869498 434471406 /nfs/dbraw/zinc/47/14/06/434471406.db2.gz FLLQLOBLYNYSJV-UHFFFAOYSA-N 0 0 324.811 3.300 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000417630188 434476887 /nfs/dbraw/zinc/47/68/87/434476887.db2.gz UBMSFNRNUIFQOB-LLVKDONJSA-N 0 0 303.280 3.094 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000417628179 434477328 /nfs/dbraw/zinc/47/73/28/434477328.db2.gz QMUQYKVFCTZDAA-LBPRGKRZSA-N 0 0 317.307 3.137 10 30 DGEERN O=C(NCCC1=CCCCCC1)N1CCc2cncnc2C1 ZINC000329790388 434478620 /nfs/dbraw/zinc/47/86/20/434478620.db2.gz CTVHWRKEAXNQNV-UHFFFAOYSA-N 0 0 300.406 3.029 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)cc1F ZINC000417631189 434480157 /nfs/dbraw/zinc/48/01/57/434480157.db2.gz VOMDRPLUSWQRIY-LLVKDONJSA-N 0 0 316.170 3.097 10 30 DGEERN CCOC1(C)CN(c2cc(Br)c(C#N)cc2F)C1 ZINC000399938535 434480618 /nfs/dbraw/zinc/48/06/18/434480618.db2.gz PNTSGKNYFCLZFX-UHFFFAOYSA-N 0 0 313.170 3.075 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc1 ZINC000438501180 434497997 /nfs/dbraw/zinc/49/79/97/434497997.db2.gz LMOMLHKTIFHWGZ-LJQANCHMSA-N 0 0 317.429 3.313 10 30 DGEERN COc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1C(C)C ZINC000193860319 294952115 /nfs/dbraw/zinc/95/21/15/294952115.db2.gz FQHAOSIQVJGAQK-ZDUSSCGKSA-N 0 0 324.446 3.050 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000366926470 434533791 /nfs/dbraw/zinc/53/37/91/434533791.db2.gz QVEIXIDYGMRLAL-XJKSGUPXSA-N 0 0 306.837 3.415 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000408004506 434536119 /nfs/dbraw/zinc/53/61/19/434536119.db2.gz MIMYDBFMUAGAOH-JGFGOQIWSA-N 0 0 318.804 3.232 10 30 DGEERN C=CCOc1ccc(C(=O)N2C[C@H]3CCCC[C@H]32)cc1OC ZINC000367744774 434557955 /nfs/dbraw/zinc/55/79/55/434557955.db2.gz AJJRHAFGWHLKPV-HUUCEWRRSA-N 0 0 301.386 3.275 10 30 DGEERN N#Cc1c(C#N)c(N[C@@H]2CCC[C@@H]2C#N)nc2c1CCCCCC2 ZINC000408329470 434563541 /nfs/dbraw/zinc/56/35/41/434563541.db2.gz JKACOGSEFKVIBN-CXAGYDPISA-N 0 0 319.412 3.588 10 30 DGEERN Cc1ccc(-c2nnc(Sc3nc(C)cc(C#N)n3)o2)cc1 ZINC000439094324 434564901 /nfs/dbraw/zinc/56/49/01/434564901.db2.gz GQIXJBLWGHTQMM-UHFFFAOYSA-N 0 0 309.354 3.166 10 30 DGEERN CC1(C)CCCN(C(=O)c2ccc3c(c2O)CCCC3)[C@@H]1C#N ZINC000408417059 434573052 /nfs/dbraw/zinc/57/30/52/434573052.db2.gz XBQVVYPCVGEHNT-MRXNPFEDSA-N 0 0 312.413 3.425 10 30 DGEERN C#CCCCS(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000368626081 434579738 /nfs/dbraw/zinc/57/97/38/434579738.db2.gz SJISXVONCLKVRO-INIZCTEOSA-N 0 0 309.406 3.096 10 30 DGEERN C=CCCCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000368414829 434574945 /nfs/dbraw/zinc/57/49/45/434574945.db2.gz VZJXGILBQQKYTI-QGZVFWFLSA-N 0 0 324.428 3.071 10 30 DGEERN Cc1nnc([C@H]2CC23CCN(c2ccc(C#N)cc2F)CC3)o1 ZINC000369171327 434591211 /nfs/dbraw/zinc/59/12/11/434591211.db2.gz HTEIVNKALGRPMS-CYBMUJFWSA-N 0 0 312.348 3.163 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)C[C@H]1CCCCO1 ZINC000424133031 434630222 /nfs/dbraw/zinc/63/02/22/434630222.db2.gz YPAUTVJQWIQCAD-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCSC(C)(C)C1 ZINC000424123600 434631430 /nfs/dbraw/zinc/63/14/30/434631430.db2.gz KPGONAINEYBICM-GFCCVEGCSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000439654433 434634722 /nfs/dbraw/zinc/63/47/22/434634722.db2.gz YUADEQCTDDUILX-VBQJREDUSA-N 0 0 300.402 3.323 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000452554824 434644436 /nfs/dbraw/zinc/64/44/36/434644436.db2.gz FREJLXOGJIGSDG-KBPBESRZSA-N 0 0 314.385 3.072 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000459542632 434601292 /nfs/dbraw/zinc/60/12/92/434601292.db2.gz AVDIRVWRAIOQAX-FPTDNZKUSA-N 0 0 320.458 3.180 10 30 DGEERN C=CCC1(C(=O)N(C)c2ncc(C(=O)OC)s2)CCCCC1 ZINC000410572850 434656771 /nfs/dbraw/zinc/65/67/71/434656771.db2.gz NLFQLGDZPUGIDW-UHFFFAOYSA-N 0 0 322.430 3.419 10 30 DGEERN COc1ccc2cc(CN3CCN(C4CC4)[C@H](C#N)C3)ccc2c1 ZINC000371326181 434668065 /nfs/dbraw/zinc/66/80/65/434668065.db2.gz HYSXUGDYKYGOSK-LJQANCHMSA-N 0 0 321.424 3.021 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)nc(NC)n1 ZINC000410752946 434670823 /nfs/dbraw/zinc/67/08/23/434670823.db2.gz JGXMKCKLUPXGPI-UHFFFAOYSA-N 0 0 324.428 3.931 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459721371 434677642 /nfs/dbraw/zinc/67/76/42/434677642.db2.gz YBJVRFGQTHANTR-CQSZACIVSA-N 0 0 321.396 3.139 10 30 DGEERN C=CCC1(C(=O)NCc2ccccc2OC(C)C)CCOCC1 ZINC000424590533 434751464 /nfs/dbraw/zinc/75/14/64/434751464.db2.gz FXCBVHOYGKHQKE-UHFFFAOYSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC(C)(C)CNC(=O)Cc1ccc(Br)cc1O ZINC000452772992 434712041 /nfs/dbraw/zinc/71/20/41/434712041.db2.gz HGQFBELSNSNTRE-UHFFFAOYSA-N 0 0 312.207 3.026 10 30 DGEERN C=CCCc1noc(-c2cnc(OC)c(Br)c2)n1 ZINC000424362171 434711964 /nfs/dbraw/zinc/71/19/64/434711964.db2.gz NEQVOYMEZNJMTJ-UHFFFAOYSA-N 0 0 310.151 3.021 10 30 DGEERN C=CC(C)(C)CNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000452775318 434712715 /nfs/dbraw/zinc/71/27/15/434712715.db2.gz HIKCAMUHOIBLTM-UHFFFAOYSA-N 0 0 311.429 3.490 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000452780992 434715089 /nfs/dbraw/zinc/71/50/89/434715089.db2.gz YWJMXDLJTBYBPG-UHFFFAOYSA-N 0 0 303.793 3.468 10 30 DGEERN C=CCC1(C(=O)Nc2cc(OC)c(OC)cc2C)CCOCC1 ZINC000424532075 434733613 /nfs/dbraw/zinc/73/36/13/434733613.db2.gz JLCILKPVHHSSHF-UHFFFAOYSA-N 0 0 319.401 3.324 10 30 DGEERN COc1ccc(N(C(=O)c2ccc(C#N)n2C)C(C)C)cc1F ZINC000460080901 434741616 /nfs/dbraw/zinc/74/16/16/434741616.db2.gz LHOAWKMJYYHRDV-UHFFFAOYSA-N 0 0 315.348 3.100 10 30 DGEERN C=CCC1(C(=O)N(CC)CCc2ccccc2)CCOCC1 ZINC000424571994 434744773 /nfs/dbraw/zinc/74/47/73/434744773.db2.gz GVALQAKJPIGHAI-UHFFFAOYSA-N 0 0 301.430 3.451 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C(=O)OC)c(C)c2)CCOCC1 ZINC000424641180 434767143 /nfs/dbraw/zinc/76/71/43/434767143.db2.gz IWLIJRDBVFXOGJ-UHFFFAOYSA-N 0 0 317.385 3.093 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCn2c(cc3ccccc32)C1)OCC ZINC000361025950 434769091 /nfs/dbraw/zinc/76/90/91/434769091.db2.gz QCDVYYWADSRRSP-GOSISDBHSA-N 0 0 312.413 3.355 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccc(OC)c(C)c2)CCOCC1 ZINC000424648043 434770113 /nfs/dbraw/zinc/77/01/13/434770113.db2.gz RGOGJFUGLVRXES-UHFFFAOYSA-N 0 0 317.429 3.335 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(CCCC)CCOC ZINC000460806203 434771028 /nfs/dbraw/zinc/77/10/28/434771028.db2.gz WDLJVOWUZAYTJW-UHFFFAOYSA-N 0 0 318.421 3.367 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCc3cc(F)ccc32)CCOCC1 ZINC000424600169 434755998 /nfs/dbraw/zinc/75/59/98/434755998.db2.gz NSCVTHJFFAQBEU-MRXNPFEDSA-N 0 0 303.377 3.302 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)c2ccc(F)cc2)CCOCC1 ZINC000424607281 434756989 /nfs/dbraw/zinc/75/69/89/434756989.db2.gz ZVZHOTYCGMIMPE-AWEZNQCLSA-N 0 0 305.393 3.418 10 30 DGEERN N#CC1CCC(CNC(=O)NCc2nccc3ccccc32)CC1 ZINC000441000918 434760069 /nfs/dbraw/zinc/76/00/69/434760069.db2.gz RKVWUUJNDXGCQB-UHFFFAOYSA-N 0 0 322.412 3.364 10 30 DGEERN CCc1ccc(CCNC(=O)NCC2CCC(C#N)CC2)cc1 ZINC000441002537 434760203 /nfs/dbraw/zinc/76/02/03/434760203.db2.gz KMRXVJHXEIAMPG-UHFFFAOYSA-N 0 0 313.445 3.421 10 30 DGEERN CC#CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000460645024 434764159 /nfs/dbraw/zinc/76/41/59/434764159.db2.gz GEOSLZRYCPDDIR-UHFFFAOYSA-N 0 0 303.365 3.048 10 30 DGEERN C=CCC1(C(=O)NCCOC2CCCCCC2)CCOCC1 ZINC000424676562 434775362 /nfs/dbraw/zinc/77/53/62/434775362.db2.gz HKCAAOVEVOPHAI-UHFFFAOYSA-N 0 0 309.450 3.215 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H]2C[C@@H](OCC)C2(C)C)CCOCC1 ZINC000424679977 434777276 /nfs/dbraw/zinc/77/72/76/434777276.db2.gz JXSKKZKLRKLMLB-HUUCEWRRSA-N 0 0 309.450 3.021 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)CCOCC1 ZINC000424689243 434779140 /nfs/dbraw/zinc/77/91/40/434779140.db2.gz DJOBHKBICPKFQG-HOTGVXAUSA-N 0 0 321.461 3.213 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000424709454 434783885 /nfs/dbraw/zinc/78/38/85/434783885.db2.gz SWJGEYQBCCDXTC-UHFFFAOYSA-N 0 0 317.429 3.307 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444700635 434788089 /nfs/dbraw/zinc/78/80/89/434788089.db2.gz ODUPIYIGQSYFOD-CHWSQXEVSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)CC(=O)c2ccccc2)CCOCC1 ZINC000424721985 434788203 /nfs/dbraw/zinc/78/82/03/434788203.db2.gz MYNYPZQVTSVJFP-HNNXBMFYSA-N 0 0 315.413 3.137 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccncc2CC)CCOCC1 ZINC000424762132 434798613 /nfs/dbraw/zinc/79/86/13/434798613.db2.gz XTYFHHMXBVJVAU-AWEZNQCLSA-N 0 0 302.418 3.194 10 30 DGEERN C=CCC1(C(=O)N(C)C[C@H](C)c2nccs2)CCOCC1 ZINC000424788153 434803726 /nfs/dbraw/zinc/80/37/26/434803726.db2.gz VRUGMPYUQMCEEX-ZDUSSCGKSA-N 0 0 308.447 3.078 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)c2ncc(C)s2)CCOCC1 ZINC000424787683 434803848 /nfs/dbraw/zinc/80/38/48/434803848.db2.gz VCDKVNYJISWZTI-LBPRGKRZSA-N 0 0 308.447 3.044 10 30 DGEERN C=CCC1(C(=O)NCCc2c(C)cccc2C)CCOCC1 ZINC000424742270 434792639 /nfs/dbraw/zinc/79/26/39/434792639.db2.gz UOILRYPNWJUVHJ-UHFFFAOYSA-N 0 0 301.430 3.335 10 30 DGEERN N#Cc1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)s1 ZINC000445513612 434807537 /nfs/dbraw/zinc/80/75/37/434807537.db2.gz QPLZQKHCVVUGDV-UHFFFAOYSA-N 0 0 320.280 3.333 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2cc(F)cc(F)c2)CCOCC1 ZINC000424814545 434808332 /nfs/dbraw/zinc/80/83/32/434808332.db2.gz VSOFNZNKRPVDOR-UHFFFAOYSA-N 0 0 309.356 3.296 10 30 DGEERN C=CCC1(C(=O)NCC2CCC(F)(F)CC2)CCOCC1 ZINC000424827082 434812987 /nfs/dbraw/zinc/81/29/87/434812987.db2.gz QIXAKNUZAMWYQG-UHFFFAOYSA-N 0 0 301.377 3.301 10 30 DGEERN C=CCCCNC(=O)c1c(C)ccc(Br)c1OC ZINC000424846294 434816030 /nfs/dbraw/zinc/81/60/30/434816030.db2.gz DUSLNZQUUYDBNB-UHFFFAOYSA-N 0 0 312.207 3.462 10 30 DGEERN CC(C)c1nnc([C@H]2CC23CCN(c2ccncc2C#N)CC3)o1 ZINC000372286753 434819352 /nfs/dbraw/zinc/81/93/52/434819352.db2.gz BXXSFYGCSTWCCD-CQSZACIVSA-N 0 0 323.400 3.234 10 30 DGEERN N#CCc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1 ZINC000372267102 434819698 /nfs/dbraw/zinc/81/96/98/434819698.db2.gz OQTHBDSUMJDJIN-UHFFFAOYSA-N 0 0 312.413 3.031 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)sc1Cl ZINC000424917025 434828788 /nfs/dbraw/zinc/82/87/88/434828788.db2.gz RWBWOYULKGBZKY-CBAPKCEASA-N 0 0 306.214 3.376 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCCC(=O)c1ccccc1 ZINC000424931382 434829802 /nfs/dbraw/zinc/82/98/02/434829802.db2.gz KBXPLIUUWJRIHG-WMZOPIPTSA-N 0 0 315.413 3.137 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCOc1ccc(Cl)cc1 ZINC000424934104 434829983 /nfs/dbraw/zinc/82/99/83/434829983.db2.gz TVIWMWJQUGLZCZ-BBRMVZONSA-N 0 0 323.820 3.206 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000424933191 434830120 /nfs/dbraw/zinc/83/01/20/434830120.db2.gz PRIFFIRNJGHITP-ULQDDVLXSA-N 0 0 317.429 3.250 10 30 DGEERN C=CC[C@H](C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000372491317 434835067 /nfs/dbraw/zinc/83/50/67/434835067.db2.gz OEQOOEXGQYUGPG-KRWDZBQOSA-N 0 0 309.413 3.476 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)CCOCC1 ZINC000424980504 434837253 /nfs/dbraw/zinc/83/72/53/434837253.db2.gz KPTDUHPAABDPJV-CRAIPNDOSA-N 0 0 303.377 3.113 10 30 DGEERN C=CC1CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)CC1 ZINC000446050122 434845542 /nfs/dbraw/zinc/84/55/42/434845542.db2.gz DFXKBSBIQBMDLI-UHFFFAOYSA-N 0 0 307.340 3.352 10 30 DGEERN C=CCC(CC=C)C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000372744075 434851074 /nfs/dbraw/zinc/85/10/74/434851074.db2.gz TVJJXPBIZVDPSG-UHFFFAOYSA-N 0 0 303.406 3.289 10 30 DGEERN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000521318643 434879976 /nfs/dbraw/zinc/87/99/76/434879976.db2.gz JYFYVRIMBYCUMR-WBVHZDCISA-N 0 0 324.428 3.340 10 30 DGEERN Cc1c(NC(=O)Cc2cccc(C#N)c2)cnn1C1CCCC1 ZINC000521383868 434882183 /nfs/dbraw/zinc/88/21/83/434882183.db2.gz ZTQUHKTXQDMSEL-UHFFFAOYSA-N 0 0 308.385 3.360 10 30 DGEERN Cc1nc(-c2ccccc2)sc1CNc1nc(C)cc(C#N)n1 ZINC000553383470 434889608 /nfs/dbraw/zinc/88/96/08/434889608.db2.gz VYBAOOLNTSAAEA-UHFFFAOYSA-N 0 0 321.409 3.701 10 30 DGEERN C[C@@H](C#N)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000521922726 434901599 /nfs/dbraw/zinc/90/15/99/434901599.db2.gz ODRMBEZLOZZTIB-IUCAKERBSA-N 0 0 301.173 3.037 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC000460963511 434866615 /nfs/dbraw/zinc/86/66/15/434866615.db2.gz YHSGODUKOFQPPD-CABCVRRESA-N 0 0 314.433 3.467 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000573017780 434868134 /nfs/dbraw/zinc/86/81/34/434868134.db2.gz PZRNSKBREDOHHF-SJORKVTESA-N 0 0 302.418 3.250 10 30 DGEERN C=CCCC[C@@H](C)N1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000461208665 434873173 /nfs/dbraw/zinc/87/31/73/434873173.db2.gz URKGBTCLHYESDA-SJKOYZFVSA-N 0 0 304.365 3.338 10 30 DGEERN CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000523417491 434948816 /nfs/dbraw/zinc/94/88/16/434948816.db2.gz DTJNUIMDUGGWIZ-MLGOLLRUSA-N 0 0 324.421 3.287 10 30 DGEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000554921167 434953334 /nfs/dbraw/zinc/95/33/34/434953334.db2.gz KOOQOWNACAPQPH-GDBMZVCRSA-N 0 0 312.392 3.183 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1c2c(nn1C)CCCC2 ZINC000463515523 434963828 /nfs/dbraw/zinc/96/38/28/434963828.db2.gz QLQMWJHKGRRRAB-UHFFFAOYSA-N 0 0 318.465 3.187 10 30 DGEERN Cc1ccc(-c2noc(C[S@](=O)CCC(C)(C)C#N)n2)cc1 ZINC000555362877 434971689 /nfs/dbraw/zinc/97/16/89/434971689.db2.gz FVIGKIDEDBPLTF-JOCHJYFZSA-N 0 0 317.414 3.234 10 30 DGEERN COC(=O)c1cc(C(F)(F)F)cc(Br)c1C#N ZINC000575383854 435033592 /nfs/dbraw/zinc/03/35/92/435033592.db2.gz NNWNLISWTYXZNV-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN COC(=O)Cc1cc(C(F)F)c(OC(F)(F)F)cc1C#N ZINC000575344058 435030114 /nfs/dbraw/zinc/03/01/14/435030114.db2.gz NRLSHQFHDYLQNQ-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575386846 435034226 /nfs/dbraw/zinc/03/42/26/435034226.db2.gz LBWYHBZYIHZXQJ-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1OC(F)(F)F ZINC000575388934 435034237 /nfs/dbraw/zinc/03/42/37/435034237.db2.gz LWCURRHRRRNXAB-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)Cc1c(Br)cc(C(F)F)cc1C#N ZINC000575341637 435030425 /nfs/dbraw/zinc/03/04/25/435030425.db2.gz YAPURORMROCDAA-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN CCOC(=O)Cc1cc(Br)cc(C#N)c1C(F)F ZINC000575341623 435030451 /nfs/dbraw/zinc/03/04/51/435030451.db2.gz PUZORJXAXPIYPM-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC000574410283 434977506 /nfs/dbraw/zinc/97/75/06/434977506.db2.gz FIQMIBXITCQWTH-UHFFFAOYSA-N 0 0 323.458 3.345 10 30 DGEERN C=C(C)[C@H](NC(=O)N(CC)[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000464331435 434983581 /nfs/dbraw/zinc/98/35/81/434983581.db2.gz GQPFDPZTOIPZCZ-BBRMVZONSA-N 0 0 324.371 3.402 10 30 DGEERN C=C(C)[C@H](NC(=O)N(CC)[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000464331436 434983900 /nfs/dbraw/zinc/98/39/00/434983900.db2.gz GQPFDPZTOIPZCZ-CJNGLKHVSA-N 0 0 324.371 3.402 10 30 DGEERN COC(=O)c1cc(Br)cc(C(F)(F)F)c1C#N ZINC000575383635 435032935 /nfs/dbraw/zinc/03/29/35/435032935.db2.gz CIBUNEJZNOODFE-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN COC(=O)c1c(C#N)ccc(Br)c1OC(F)(F)F ZINC000575383501 435032942 /nfs/dbraw/zinc/03/29/42/435032942.db2.gz LHBDYXAHKPUAKY-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN COC(=O)Cc1ccc(Br)c(C(F)(F)F)c1C#N ZINC000575383788 435032949 /nfs/dbraw/zinc/03/29/49/435032949.db2.gz KHAKRYGBHLJTMT-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000464756689 434997798 /nfs/dbraw/zinc/99/77/98/434997798.db2.gz ZYQUILNCVGGTKF-AWEZNQCLSA-N 0 0 300.402 3.174 10 30 DGEERN COC(=O)c1c(Br)ccc(C(F)(F)F)c1C#N ZINC000575383947 435034658 /nfs/dbraw/zinc/03/46/58/435034658.db2.gz UXUOPFFTRWTIQS-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1Cl ZINC000575383465 435033136 /nfs/dbraw/zinc/03/31/36/435033136.db2.gz WZNVUOFLDRVEDU-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CSC1(C)C ZINC000575067697 435004613 /nfs/dbraw/zinc/00/46/13/435004613.db2.gz DCSTXYGZTOXSGS-HNNXBMFYSA-N 0 0 320.458 3.287 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000556513058 435009981 /nfs/dbraw/zinc/00/99/81/435009981.db2.gz PXLYRNGHRPZVAI-UHFFFAOYSA-N 0 0 317.429 3.307 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCc2nc(C(C)C)ncc2C1 ZINC000527616812 435012857 /nfs/dbraw/zinc/01/28/57/435012857.db2.gz QMFLAEVDAUCORY-UHFFFAOYSA-N 0 0 320.396 3.237 10 30 DGEERN COc1ccc([C@H]2CCCN2C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530909158 435059934 /nfs/dbraw/zinc/05/99/34/435059934.db2.gz HKWMMIJRKYCXLP-LJQANCHMSA-N 0 0 320.392 3.473 10 30 DGEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000531384653 435090648 /nfs/dbraw/zinc/09/06/48/435090648.db2.gz LKEZYVFHZWYNAM-DNVCBOLYSA-N 0 0 320.392 3.089 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000466261490 435068280 /nfs/dbraw/zinc/06/82/80/435068280.db2.gz RJVHFIHDPUURTN-CQSZACIVSA-N 0 0 308.466 3.084 10 30 DGEERN COc1cc(Cl)ccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531151757 435074275 /nfs/dbraw/zinc/07/42/75/435074275.db2.gz SIIQGLHKXBCHKZ-UHFFFAOYSA-N 0 0 314.772 3.079 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCc1ccccc1)CC(=O)OCC ZINC000466444635 435076919 /nfs/dbraw/zinc/07/69/19/435076919.db2.gz XYANQALCEGASOL-MRXNPFEDSA-N 0 0 317.429 3.223 10 30 DGEERN C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000531219585 435079892 /nfs/dbraw/zinc/07/98/92/435079892.db2.gz NKBUWIDZKYYQKZ-LLVKDONJSA-N 0 0 300.308 3.256 10 30 DGEERN CCOC(=O)Cc1cc(CC)c(OC(F)(F)F)cc1C#N ZINC000575388925 435034727 /nfs/dbraw/zinc/03/47/27/435034727.db2.gz LLRHYSMWHYBRPC-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)Cc1cc(C(F)(F)F)c(OC(F)F)cc1C#N ZINC000575386823 435034769 /nfs/dbraw/zinc/03/47/69/435034769.db2.gz JGOHQIDXFKXRQN-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCOC(=O)Cc1c(F)ccc(SC(F)(F)F)c1C#N ZINC000575390674 435035383 /nfs/dbraw/zinc/03/53/83/435035383.db2.gz OXGPKUYBAUMFJG-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C#N)cc1C=O ZINC000575390963 435035615 /nfs/dbraw/zinc/03/56/15/435035615.db2.gz BQSYLPKUXLCNRP-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(C=O)cc(SC(F)(F)F)c1C#N ZINC000575391057 435035793 /nfs/dbraw/zinc/03/57/93/435035793.db2.gz GYVFCEXNQSXVQO-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575393535 435035830 /nfs/dbraw/zinc/03/58/30/435035830.db2.gz GDYQNVQPLUCYOM-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1ccc(SC(F)(F)F)c(C#N)c1OC ZINC000575394171 435035873 /nfs/dbraw/zinc/03/58/73/435035873.db2.gz GJNWBXXXKWUEOS-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(SC(F)(F)F)c1OC ZINC000575395017 435036182 /nfs/dbraw/zinc/03/61/82/435036182.db2.gz UGZLKIJWEGWVSZ-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(C#N)c1OC ZINC000575395092 435036264 /nfs/dbraw/zinc/03/62/64/435036264.db2.gz XNOMMWWXDUOEIN-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCc1cc(C#N)cc(I)c1OC(F)F ZINC000575654357 435038803 /nfs/dbraw/zinc/03/88/03/435038803.db2.gz BHVPBIVAOSTBOB-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1c(I)cc(OC(F)F)cc1C#N ZINC000575663572 435039678 /nfs/dbraw/zinc/03/96/78/435039678.db2.gz BKBGNLQAAHJELJ-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1c(C#N)ccc(I)c1OC(F)F ZINC000575663717 435040494 /nfs/dbraw/zinc/04/04/94/435040494.db2.gz JTTZRSHSYLOAFH-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1cc(OC(F)F)cc(C#N)c1I ZINC000575663715 435040964 /nfs/dbraw/zinc/04/09/64/435040964.db2.gz JMXKUYPWKGXBBZ-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN N#CCc1cc(OC(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575668918 435041775 /nfs/dbraw/zinc/04/17/75/435041775.db2.gz VSTUVVWNOSIUHW-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000529935211 435041802 /nfs/dbraw/zinc/04/18/02/435041802.db2.gz PCMHAPLFAXUDCC-SJORKVTESA-N 0 0 301.386 3.110 10 30 DGEERN CCOc1cc(C#N)c(I)cc1CC ZINC000575671117 435042256 /nfs/dbraw/zinc/04/22/56/435042256.db2.gz URRHCTLNROYVNA-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#CCc1cc(OC(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575688397 435044208 /nfs/dbraw/zinc/04/42/08/435044208.db2.gz ZHUWSWGNMCOVCX-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN CCOc1cc(I)cc(CC)c1CC#N ZINC000575697379 435047146 /nfs/dbraw/zinc/04/71/46/435047146.db2.gz WINHVZZGWYTDMR-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN C=CCn1c(Cc2nc(C)cs2)nnc1N1CCCC1(C)C ZINC000575749733 435051484 /nfs/dbraw/zinc/05/14/84/435051484.db2.gz VZHVMTSNJHJUGQ-UHFFFAOYSA-N 0 0 317.462 3.199 10 30 DGEERN Cc1ccccc1[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)CCO1 ZINC000531391202 435090389 /nfs/dbraw/zinc/09/03/89/435090389.db2.gz XDIHYJLDMDXQFX-IBGZPJMESA-N 0 0 320.392 3.009 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCc2cccc(F)c2C1 ZINC000576455389 435055636 /nfs/dbraw/zinc/05/56/36/435055636.db2.gz XATQTSSVVVZARU-UHFFFAOYSA-N 0 0 300.381 3.118 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)CC(F)(F)F ZINC000559010515 435120271 /nfs/dbraw/zinc/12/02/71/435120271.db2.gz KDQZXOCMGFAKAG-UHFFFAOYSA-N 0 0 304.360 3.441 10 30 DGEERN COc1cccc(C2=CCN(C(=O)C3(C#N)CC(C)C3)CC2)c1 ZINC000531824142 435121897 /nfs/dbraw/zinc/12/18/97/435121897.db2.gz MIXLFLOZIPPNLN-UHFFFAOYSA-N 0 0 310.397 3.251 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000469389159 435130303 /nfs/dbraw/zinc/13/03/03/435130303.db2.gz SGZXSOMIDCUGCZ-HZPDHXFCSA-N 0 0 307.821 3.322 10 30 DGEERN Cc1nc2c(cccc2-c2noc(Cc3cccc(C#N)c3)n2)[nH]1 ZINC000559980216 435144783 /nfs/dbraw/zinc/14/47/83/435144783.db2.gz DERKEWFJQSHSCC-UHFFFAOYSA-N 0 0 315.336 3.384 10 30 DGEERN Cc1cc(C#N)nc(NC[C@H](C)Oc2ccc(C(C)C)cc2)n1 ZINC000563718537 435269631 /nfs/dbraw/zinc/26/96/31/435269631.db2.gz SXUDBTFAKBBDRG-AWEZNQCLSA-N 0 0 310.401 3.660 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000564634675 435272811 /nfs/dbraw/zinc/27/28/11/435272811.db2.gz WHIVMVOETCQVML-XDNAFOTISA-N 0 0 314.429 3.356 10 30 DGEERN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000564758572 435273252 /nfs/dbraw/zinc/27/32/52/435273252.db2.gz HBASPZILARRSDA-HIFRSBDPSA-N 0 0 310.401 3.128 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Oc2ccncc2)c1 ZINC000565594455 435279803 /nfs/dbraw/zinc/27/98/03/435279803.db2.gz OVKTVEGREQUWLB-YJBOKZPZSA-N 0 0 324.380 3.195 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000565711903 435281916 /nfs/dbraw/zinc/28/19/16/435281916.db2.gz IEXAPCXDNKHRCI-LRDDRELGSA-N 0 0 316.788 3.209 10 30 DGEERN C=CCCCN(C)c1nnc(-c2c(C)nc3ccccn32)n1CC ZINC000566220840 435285153 /nfs/dbraw/zinc/28/51/53/435285153.db2.gz OAPQOHILSKJHSN-UHFFFAOYSA-N 0 0 324.432 3.324 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C)OCC ZINC000534408831 435288458 /nfs/dbraw/zinc/28/84/58/435288458.db2.gz BEMWVTVAPCPAOG-CSHUHZATSA-N 0 0 317.429 3.427 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000566832706 435290069 /nfs/dbraw/zinc/29/00/69/435290069.db2.gz VNAAXSYBZTZIGB-NRXISQOPSA-N 0 0 318.421 3.154 10 30 DGEERN C=C(C)CCS[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000507096819 435309867 /nfs/dbraw/zinc/30/98/67/435309867.db2.gz ACCVGCRKUVIWHM-GFCCVEGCSA-N 0 0 315.446 3.380 10 30 DGEERN N#C[C@]12CN(Cc3ccccc3)C[C@H]1c1c(F)cccc1OC2 ZINC000498050573 435302602 /nfs/dbraw/zinc/30/26/02/435302602.db2.gz NUOXHMCWCKVXCG-HNAYVOBHSA-N 0 0 308.356 3.327 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc2ccccc2c1 ZINC000567466582 435319868 /nfs/dbraw/zinc/31/98/68/435319868.db2.gz XHBMTBCQBCPYAN-OALUTQOASA-N 0 0 324.424 3.273 10 30 DGEERN CCCOc1cccc(CC(=O)N[C@](C)(C#N)CC(C)C)c1 ZINC000535326881 435326202 /nfs/dbraw/zinc/32/62/02/435326202.db2.gz TYWIMGNBOKDOKV-SFHVURJKSA-N 0 0 302.418 3.462 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@](C)(O)C2CCCCC2)cc1 ZINC000481340145 435422174 /nfs/dbraw/zinc/42/21/74/435422174.db2.gz FLZPLYYUCUPQTE-IBGZPJMESA-N 0 0 317.429 3.313 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC000514950803 435451194 /nfs/dbraw/zinc/45/11/94/435451194.db2.gz QGYVXARDBVJHPW-LPHOPBHVSA-N 0 0 316.420 3.146 10 30 DGEERN C=CCN(CCOC)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000482366299 435465417 /nfs/dbraw/zinc/46/54/17/435465417.db2.gz XVNKCBVIZYAMRV-UHFFFAOYSA-N 0 0 316.426 3.393 10 30 DGEERN C=CCCCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000568776000 435471183 /nfs/dbraw/zinc/47/11/83/435471183.db2.gz IZCUJYQZHOSCFG-UHFFFAOYSA-N 0 0 323.234 3.483 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CCOCC1 ZINC000568502513 435441589 /nfs/dbraw/zinc/44/15/89/435441589.db2.gz UYVJRMBCJFJKMU-UHFFFAOYSA-N 0 0 311.385 3.388 10 30 DGEERN C=CCOc1ccc(CC(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC000569195693 435512787 /nfs/dbraw/zinc/51/27/87/435512787.db2.gz CRLABOOUGLGALM-UHFFFAOYSA-N 0 0 315.335 3.499 10 30 DGEERN C=CCCC[C@H](C)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000538150959 435485440 /nfs/dbraw/zinc/48/54/40/435485440.db2.gz TYBIAJYDMUVEPR-INIZCTEOSA-N 0 0 310.445 3.429 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000486127131 435589246 /nfs/dbraw/zinc/58/92/46/435589246.db2.gz XZKPCSPVWQEBBQ-IJLUTSLNSA-N 0 0 307.356 3.451 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000539289552 435544517 /nfs/dbraw/zinc/54/45/17/435544517.db2.gz NMLSEPPDJZMIFJ-KBPBESRZSA-N 0 0 310.463 3.319 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000539289555 435544841 /nfs/dbraw/zinc/54/48/41/435544841.db2.gz NMLSEPPDJZMIFJ-ZIAGYGMSSA-N 0 0 310.463 3.319 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C2CCC2)cs1 ZINC000517734343 435608656 /nfs/dbraw/zinc/60/86/56/435608656.db2.gz IEHNUCUGRYBOGT-AAEUAGOBSA-N 0 0 307.419 3.123 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000517748547 435609267 /nfs/dbraw/zinc/60/92/67/435609267.db2.gz MNGPAZZGPGIQGR-VCUUKQMESA-N 0 0 306.450 3.092 10 30 DGEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC000487378608 435626355 /nfs/dbraw/zinc/62/63/55/435626355.db2.gz MVPWYFNONNJCNS-NSHDSACASA-N 0 0 308.428 3.026 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC000570569409 435630451 /nfs/dbraw/zinc/63/04/51/435630451.db2.gz RWLARSHISIMIPY-VXGBXAGGSA-N 0 0 317.462 3.378 10 30 DGEERN C=CC[C@@H]1N(C(=O)NCc2noc(C3CC3)n2)CCCC1(C)C ZINC000570623804 435634792 /nfs/dbraw/zinc/63/47/92/435634792.db2.gz YRCXHEXJGXICSQ-ZDUSSCGKSA-N 0 0 318.421 3.223 10 30 DGEERN C=CCCOCCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541778603 435645994 /nfs/dbraw/zinc/64/59/94/435645994.db2.gz SJUIUHDYUBXHGD-QGZVFWFLSA-N 0 0 319.836 3.345 10 30 DGEERN N#Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)ccc1F ZINC000548090602 435667671 /nfs/dbraw/zinc/66/76/71/435667671.db2.gz DSDQBMCSBDBNEA-MRXNPFEDSA-N 0 0 316.376 3.261 10 30 DGEERN C=CCC1(NC(=O)c2cc(-n3ccnc3)ccn2)CCCCC1 ZINC000571021286 435669829 /nfs/dbraw/zinc/66/98/29/435669829.db2.gz LCZALQCJWCNUTC-UHFFFAOYSA-N 0 0 310.401 3.276 10 30 DGEERN C[C@H](Cc1ccccc1Br)Nc1ccncc1C#N ZINC000548162596 435675520 /nfs/dbraw/zinc/67/55/20/435675520.db2.gz JXJJEXZNYPUZAA-LLVKDONJSA-N 0 0 316.202 3.181 10 30 DGEERN N#Cc1cnccc1N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000548152631 435673838 /nfs/dbraw/zinc/67/38/38/435673838.db2.gz JPHRMIHPEBJISA-ZFWWWQNUSA-N 0 0 314.186 3.106 10 30 DGEERN CCCN(C(=O)Cc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000519637549 435696065 /nfs/dbraw/zinc/69/60/65/435696065.db2.gz FLMJEJGTVWNAPM-UHFFFAOYSA-N 0 0 323.352 3.452 10 30 DGEERN N#Cc1cccc(CCNC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000571340066 435699615 /nfs/dbraw/zinc/69/96/15/435699615.db2.gz ZZEJYAYXGIZELN-UHFFFAOYSA-N 0 0 316.360 3.390 10 30 DGEERN C=CCC[C@H](C(=O)NCCc1cccnc1OC)c1ccccc1 ZINC000520385934 435738991 /nfs/dbraw/zinc/73/89/91/435738991.db2.gz HTNKKVQWYCHJIO-SFHVURJKSA-N 0 0 324.424 3.499 10 30 DGEERN C=CCC1(C(=O)N2CCC(C3CCOCC3)CC2)CCOCC1 ZINC000571515872 435712790 /nfs/dbraw/zinc/71/27/90/435712790.db2.gz CMUBHTXGPWOQKC-UHFFFAOYSA-N 0 0 321.461 3.025 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCNC(C)=O ZINC000572875431 435878919 /nfs/dbraw/zinc/87/89/19/435878919.db2.gz HWGNYXUCQRCVHG-UHFFFAOYSA-N 0 0 317.433 3.138 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339704383 303183230 /nfs/dbraw/zinc/18/32/30/303183230.db2.gz IQTXGLPGTDZHTL-DOTOQJQBSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000340077747 303195110 /nfs/dbraw/zinc/19/51/10/303195110.db2.gz BNVXFGNEFKRBFX-RHSMWYFYSA-N 0 0 300.308 3.149 10 30 DGEERN O=C(N[C@@H]1COc2ccccc21)N1CCOC[C@@H]1c1ccccc1 ZINC000329816606 303513132 /nfs/dbraw/zinc/51/31/32/303513132.db2.gz VZZABXJRAJLTLY-IAGOWNOFSA-N 0 0 324.380 3.108 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2C3CC4CC(C3)CC2C4)c1 ZINC000535009362 313690569 /nfs/dbraw/zinc/69/05/69/313690569.db2.gz NPIXZGGXOLHLBK-UHFFFAOYSA-N 0 0 308.425 3.289 10 30 DGEERN Cc1ccnc(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000542207947 314062249 /nfs/dbraw/zinc/06/22/49/314062249.db2.gz JSCRMOGBULDMPK-AWEZNQCLSA-N 0 0 315.417 3.210 10 30 DGEERN C[C@@H]1CCN(C(=O)Cc2cccc(C#N)c2)c2c(O)cccc21 ZINC000545953696 314278527 /nfs/dbraw/zinc/27/85/27/314278527.db2.gz AMDGYRAAHSVVLG-CYBMUJFWSA-N 0 0 306.365 3.347 10 30 DGEERN CCc1nc(Cc2noc(Cc3cccc(C#N)c3)n2)cs1 ZINC000546358475 314302426 /nfs/dbraw/zinc/30/24/26/314302426.db2.gz XIPXHKLRYNJJTQ-UHFFFAOYSA-N 0 0 310.382 3.142 10 30 DGEERN Cc1oc2ccccc2c1CNC(=O)Cc1cccc(C#N)c1 ZINC000546643503 314317513 /nfs/dbraw/zinc/31/75/13/314317513.db2.gz AWIMJWASAMIXRY-UHFFFAOYSA-N 0 0 304.349 3.472 10 30 DGEERN N#Cc1cc(C(=O)NC2(CCO)CCCCC2)ccc1Cl ZINC000547366480 314361033 /nfs/dbraw/zinc/36/10/33/314361033.db2.gz XABZBVCJKHHNJG-UHFFFAOYSA-N 0 0 306.793 3.027 10 30 DGEERN N#Cc1cnccc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000547826434 314399765 /nfs/dbraw/zinc/39/97/65/314399765.db2.gz AZYPXUIIUHFFGU-GOSISDBHSA-N 0 0 307.397 3.181 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000563887074 315144591 /nfs/dbraw/zinc/14/45/91/315144591.db2.gz LUOMBWXSXYVWEG-MRXNPFEDSA-N 0 0 308.356 3.256 10 30 DGEERN CN(C)c1ncccc1CNc1ccc2cc(C#N)ccc2n1 ZINC000179886268 323216100 /nfs/dbraw/zinc/21/61/00/323216100.db2.gz RYEIKMNIRVKJQE-UHFFFAOYSA-N 0 0 303.369 3.180 10 30 DGEERN Cc1cccc(OCCCNC(=O)Cc2cccc(C#N)c2)c1C ZINC000582336500 324217632 /nfs/dbraw/zinc/21/76/32/324217632.db2.gz XGFNODHJWFVGHW-UHFFFAOYSA-N 0 0 322.408 3.303 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)nc1 ZINC000582398751 324224658 /nfs/dbraw/zinc/22/46/58/324224658.db2.gz VSHPBUYRZYHBNJ-PKOBYXMFSA-N 0 0 313.360 3.392 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](O)C1CCOCC1 ZINC000530511197 331505563 /nfs/dbraw/zinc/50/55/63/331505563.db2.gz BMAFKKLGNGZEGX-GOSISDBHSA-N 0 0 317.429 3.265 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000297512652 331600347 /nfs/dbraw/zinc/60/03/47/331600347.db2.gz GZKCAIFWMNMKQI-SFHVURJKSA-N 0 0 307.397 3.053 10 30 DGEERN C=CCCS(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528543437 331601549 /nfs/dbraw/zinc/60/15/49/331601549.db2.gz YBPPHZQQHVCSSB-HNNXBMFYSA-N 0 0 311.422 3.300 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@H](CO)c1sccc1C ZINC000536465522 332250009 /nfs/dbraw/zinc/25/00/09/332250009.db2.gz QMYGETXFIYHZIW-CQSZACIVSA-N 0 0 317.410 3.085 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000583376708 332373139 /nfs/dbraw/zinc/37/31/39/332373139.db2.gz BFVRUXOIJMCBQX-KSSFIOAISA-N 0 0 324.380 3.195 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000185016348 335103659 /nfs/dbraw/zinc/10/36/59/335103659.db2.gz NJVNYHGYSULRCZ-GJZGRUSLSA-N 0 0 312.417 3.389 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000185064995 335109454 /nfs/dbraw/zinc/10/94/54/335109454.db2.gz JXBADOCWYHHASR-MRXNPFEDSA-N 0 0 316.445 3.084 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC[C@@H](C(C)C)C2)cc1 ZINC000561878369 332510344 /nfs/dbraw/zinc/51/03/44/332510344.db2.gz ZVVFUQAYOPJCLC-MRXNPFEDSA-N 0 0 302.418 3.439 10 30 DGEERN C=C(C)COCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000151464252 332579330 /nfs/dbraw/zinc/57/93/30/332579330.db2.gz WGQDGNSDGJHNAI-HNNXBMFYSA-N 0 0 306.406 3.417 10 30 DGEERN C=CCOc1ccc(C=Cc2nc3cnccc3c(=O)[nH]2)cc1 ZINC000151480387 332580621 /nfs/dbraw/zinc/58/06/21/332580621.db2.gz ZJVMBUYRTQEUHB-VMPITWQZSA-N 0 0 305.337 3.053 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1OC ZINC000293643786 335114264 /nfs/dbraw/zinc/11/42/64/335114264.db2.gz IEVMUHMPTFPZCC-DOTOQJQBSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCCCCCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000582131600 333140504 /nfs/dbraw/zinc/14/05/04/333140504.db2.gz MAZNLLIGGVIZSW-UHFFFAOYSA-N 0 0 306.406 3.284 10 30 DGEERN N#CC1(C(=O)NCc2ncc(-c3ccccc3)cn2)CCCCC1 ZINC000183871163 333188839 /nfs/dbraw/zinc/18/88/39/333188839.db2.gz UMEKDAUNQQGVMN-UHFFFAOYSA-N 0 0 320.396 3.234 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc2ccccc2s1 ZINC000582057024 333192120 /nfs/dbraw/zinc/19/21/20/333192120.db2.gz SXPORDSVEUTPMN-JQWIXIFHSA-N 0 0 303.387 3.009 10 30 DGEERN C=CCCCNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000390389424 333275942 /nfs/dbraw/zinc/27/59/42/333275942.db2.gz HDLXDQOIYYYUQC-UHFFFAOYSA-N 0 0 324.265 3.064 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC000062896655 333340247 /nfs/dbraw/zinc/34/02/47/333340247.db2.gz KDEPTMDLTZJFAM-UHFFFAOYSA-N 0 0 302.252 3.062 10 30 DGEERN C=CCCCCCNC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000563355154 333595418 /nfs/dbraw/zinc/59/54/18/333595418.db2.gz HTKZTHZHQQOIDU-UHFFFAOYSA-N 0 0 303.402 3.303 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000563382032 333599229 /nfs/dbraw/zinc/59/92/29/333599229.db2.gz ANDIJKMWAZAKFJ-UHFFFAOYSA-N 0 0 316.401 3.080 10 30 DGEERN CC1(C#N)CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000571312738 333729820 /nfs/dbraw/zinc/72/98/20/333729820.db2.gz UXDMCLGTDFIBID-UHFFFAOYSA-N 0 0 300.446 3.398 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000295243274 334221180 /nfs/dbraw/zinc/22/11/80/334221180.db2.gz JHEXFIPSYZIKTM-SFHVURJKSA-N 0 0 311.385 3.082 10 30 DGEERN C=CC1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 ZINC000111631998 334350220 /nfs/dbraw/zinc/35/02/20/334350220.db2.gz MLGLHFBDNZMDJJ-UHFFFAOYSA-N 0 0 301.386 3.144 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000519653794 335885654 /nfs/dbraw/zinc/88/56/54/335885654.db2.gz OOMJATMJTHQTPI-SWLSCSKDSA-N 0 0 308.397 3.149 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccccc1CC ZINC000519902622 335908588 /nfs/dbraw/zinc/90/85/88/335908588.db2.gz WCEKLLDRMYDHPV-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN N#CCc1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000532434704 336247139 /nfs/dbraw/zinc/24/71/39/336247139.db2.gz UBYDUFGCNUVBOE-TZMCWYRMSA-N 0 0 313.307 3.168 10 30 DGEERN CC(C)OC(=O)[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000532707337 336267409 /nfs/dbraw/zinc/26/74/09/336267409.db2.gz XQRTXJVNZGNBHL-INIZCTEOSA-N 0 0 305.805 3.108 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000514598346 336385499 /nfs/dbraw/zinc/38/54/99/336385499.db2.gz ADCPGUDQKFGUIU-XKQJLSEDSA-N 0 0 314.429 3.299 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C2CC2)C1 ZINC000514601947 336385711 /nfs/dbraw/zinc/38/57/11/336385711.db2.gz ATXNOEMBLFVAEP-ZDUSSCGKSA-N 0 0 315.446 3.132 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000582972663 337224791 /nfs/dbraw/zinc/22/47/91/337224791.db2.gz HXSMICSSHJQQQI-UHFFFAOYSA-N 0 0 324.446 3.099 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(CC(=O)OCC)CC1 ZINC000583152550 337246802 /nfs/dbraw/zinc/24/68/02/337246802.db2.gz XMMHNXHVZODJMK-UHFFFAOYSA-N 0 0 310.438 3.108 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000584391638 337310844 /nfs/dbraw/zinc/31/08/44/337310844.db2.gz OCETXCRLLJYERZ-KGLIPLIRSA-N 0 0 319.401 3.357 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000584538069 337358880 /nfs/dbraw/zinc/35/88/80/337358880.db2.gz FONPFKDZWZOQMS-OAHLLOKOSA-N 0 0 323.481 3.056 10 30 DGEERN COCCOc1cc(-c2ccc(C(F)(F)F)nc2)cc(C#N)n1 ZINC000584613252 337372579 /nfs/dbraw/zinc/37/25/79/337372579.db2.gz UNOYXZSSJLGPFK-UHFFFAOYSA-N 0 0 323.274 3.059 10 30 DGEERN O=C1c2ccccc2C(=O)C(C(F)(F)F)=C1Br ZINC000584624824 337375344 /nfs/dbraw/zinc/37/53/44/337375344.db2.gz WGRXVBYGOOOIEU-UHFFFAOYSA-N 0 0 305.049 3.277 10 30 DGEERN N#Cc1cccc(-c2nnc(-c3cc(F)c(F)nc3F)o2)c1 ZINC000584656509 337377947 /nfs/dbraw/zinc/37/79/47/337377947.db2.gz WBBAVULQMPMTOC-UHFFFAOYSA-N 0 0 302.215 3.088 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000583906258 337383993 /nfs/dbraw/zinc/38/39/93/337383993.db2.gz YBUJXKPHCWCUFU-IUODEOHRSA-N 0 0 322.792 3.218 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1ccnc(C)c1Br ZINC000571949184 337584130 /nfs/dbraw/zinc/58/41/30/337584130.db2.gz NASSEIKPJALWTE-LLVKDONJSA-N 0 0 324.222 3.147 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C)[C@H]1C ZINC000572000986 337586012 /nfs/dbraw/zinc/58/60/12/337586012.db2.gz ZFWIGGHKDVZISA-CMPLNLGQSA-N 0 0 303.435 3.131 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C2CC2)cc1 ZINC000572200570 337596594 /nfs/dbraw/zinc/59/65/94/337596594.db2.gz ZGXKVOQUJUALMH-QZTJIDSGSA-N 0 0 314.429 3.344 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(CCC)C[C@@H]1CCCCO1 ZINC000572419856 337635365 /nfs/dbraw/zinc/63/53/65/337635365.db2.gz MGRBCPRKZPVNIZ-HNNXBMFYSA-N 0 0 306.454 3.202 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC000580448595 337678432 /nfs/dbraw/zinc/67/84/32/337678432.db2.gz PBIJVRPOCCQMFN-CYBMUJFWSA-N 0 0 315.442 3.355 10 30 DGEERN C=CCN(CC=C)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000527638997 337753618 /nfs/dbraw/zinc/75/36/18/337753618.db2.gz BVPXPGIDTQRIAR-UHFFFAOYSA-N 0 0 313.323 3.052 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000528025320 337784497 /nfs/dbraw/zinc/78/44/97/337784497.db2.gz KEYKMNQNBCTWKM-RCBQFDQVSA-N 0 0 320.820 3.218 10 30 DGEERN C=CCC1(C(=O)N2CC[C@](F)(c3ccccc3)C2)CCOCC1 ZINC000515833838 337999510 /nfs/dbraw/zinc/99/95/10/337999510.db2.gz WTLVYHGJQMWXEN-LJQANCHMSA-N 0 0 317.404 3.457 10 30 DGEERN C=CCCCCCNC(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000516085658 338004353 /nfs/dbraw/zinc/00/43/53/338004353.db2.gz QVBAGLDQLBGWNJ-UHFFFAOYSA-N 0 0 317.433 3.449 10 30 DGEERN CN(CC(C)(C)C#N)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455725057 338905174 /nfs/dbraw/zinc/90/51/74/338905174.db2.gz UPBGLMDEAFLJJQ-UHFFFAOYSA-N 0 0 317.437 3.481 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000516580157 340072062 /nfs/dbraw/zinc/07/20/62/340072062.db2.gz BOLGZWHGVROMGD-UHFFFAOYSA-N 0 0 300.402 3.393 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000501540998 340083031 /nfs/dbraw/zinc/08/30/31/340083031.db2.gz JITHPFGXVNHEED-HNNXBMFYSA-N 0 0 302.418 3.298 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000504104940 340140977 /nfs/dbraw/zinc/14/09/77/340140977.db2.gz UWFJEYSWWUKBGH-DLBZAZTESA-N 0 0 316.449 3.350 10 30 DGEERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000504397349 340146911 /nfs/dbraw/zinc/14/69/11/340146911.db2.gz VIPHUCMPNMOSGU-LSDHHAIUSA-N 0 0 321.465 3.163 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000505051050 340160094 /nfs/dbraw/zinc/16/00/94/340160094.db2.gz HZRCOBTXCSYMSZ-HOCLYGCPSA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)CCN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000505689696 340174947 /nfs/dbraw/zinc/17/49/47/340174947.db2.gz JKZHRDRITQDZFR-UHFFFAOYSA-N 0 0 324.265 3.097 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC000508496170 340244864 /nfs/dbraw/zinc/24/48/64/340244864.db2.gz CNCCLPVXZIKKKM-OAHLLOKOSA-N 0 0 320.481 3.304 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1C ZINC000508760168 340252655 /nfs/dbraw/zinc/25/26/55/340252655.db2.gz BAZFXAGOIYNLGF-UHFFFAOYSA-N 0 0 307.401 3.433 10 30 DGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCOCC ZINC000508832896 340253938 /nfs/dbraw/zinc/25/39/38/340253938.db2.gz NBDLVHDFPHFMBI-UHFFFAOYSA-N 0 0 320.824 3.257 10 30 DGEERN C=CCCCCNC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000511897281 340342410 /nfs/dbraw/zinc/34/24/10/340342410.db2.gz FVUHHHUKSFOGKJ-OAHLLOKOSA-N 0 0 306.381 3.477 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000521186701 340482466 /nfs/dbraw/zinc/48/24/66/340482466.db2.gz MCASIOTUOKAYRZ-LBPRGKRZSA-N 0 0 301.308 3.339 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000185338762 340500151 /nfs/dbraw/zinc/50/01/51/340500151.db2.gz ZBWJZNDWBPZPBH-CQSZACIVSA-N 0 0 317.429 3.454 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1nc([C@H](C)SCC)no1 ZINC000185886956 340506282 /nfs/dbraw/zinc/50/62/82/340506282.db2.gz AZKYHLFHVPSRNM-RYUDHWBXSA-N 0 0 311.451 3.444 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)OCC(C)C ZINC000521724419 340530095 /nfs/dbraw/zinc/53/00/95/340530095.db2.gz UENCCADUZCIRHU-AWEZNQCLSA-N 0 0 320.389 3.171 10 30 DGEERN C#CCN(Cc1nnc(C(C)C)n1C)[C@H]1CCc2ccccc21 ZINC000195081027 340573958 /nfs/dbraw/zinc/57/39/58/340573958.db2.gz YEEHDOSTHDDPNU-KRWDZBQOSA-N 0 0 308.429 3.061 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@H]1C[C@]1(C)Br ZINC000528525644 340723086 /nfs/dbraw/zinc/72/30/86/340723086.db2.gz VNBVLDIMXRDVDL-DOMZBBRYSA-N 0 0 324.218 3.041 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]1(C)Br ZINC000529492958 340757695 /nfs/dbraw/zinc/75/76/95/340757695.db2.gz WVJGZFHMKNKCOA-YCPHGPKFSA-N 0 0 322.246 3.464 10 30 DGEERN C=CCN(C(=O)NCCc1ccc(OC)cc1Cl)C1CC1 ZINC000537937082 340791673 /nfs/dbraw/zinc/79/16/73/340791673.db2.gz VWXDYCMJRUIOEZ-UHFFFAOYSA-N 0 0 308.809 3.251 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1cccs1)C(CC)CC ZINC000539712256 340896779 /nfs/dbraw/zinc/89/67/79/340896779.db2.gz LCLZSUXGTFJZGM-UKRRQHHQSA-N 0 0 310.463 3.462 10 30 DGEERN C=CCNc1ncc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000128847343 340923369 /nfs/dbraw/zinc/92/33/69/340923369.db2.gz HEOMXDAILBDOFR-KBPBESRZSA-N 0 0 313.426 3.275 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000128866857 340924731 /nfs/dbraw/zinc/92/47/31/340924731.db2.gz QWJVLHAJRPUSKI-HNNXBMFYSA-N 0 0 320.477 3.154 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000542270411 341002761 /nfs/dbraw/zinc/00/27/61/341002761.db2.gz WUCJJBLSFOKOMF-QGZVFWFLSA-N 0 0 316.445 3.395 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544137265 341071655 /nfs/dbraw/zinc/07/16/55/341071655.db2.gz WVIQTKQGQRWHIU-QGZVFWFLSA-N 0 0 302.418 3.087 10 30 DGEERN Cc1cccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000131999556 341114847 /nfs/dbraw/zinc/11/48/47/341114847.db2.gz MQXFGIWCCLKPHG-QGZVFWFLSA-N 0 0 308.385 3.234 10 30 DGEERN C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)C1CCOCC1 ZINC000132984898 341151141 /nfs/dbraw/zinc/15/11/41/341151141.db2.gz NFZMTIHFIFGXCW-HNAYVOBHSA-N 0 0 314.429 3.080 10 30 DGEERN C=CCCO[C@H](C)c1nc(-c2ccc3c(c2)CCC(=O)N3)no1 ZINC000547184496 341200252 /nfs/dbraw/zinc/20/02/52/341200252.db2.gz HKCZCJUAGUEIRU-LLVKDONJSA-N 0 0 313.357 3.275 10 30 DGEERN N#CC1(C(=O)NCc2ccncc2C(F)(F)F)CCCCC1 ZINC000547740385 341229812 /nfs/dbraw/zinc/22/98/12/341229812.db2.gz QMOOWODAXWIXQV-UHFFFAOYSA-N 0 0 311.307 3.191 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000135112169 341231302 /nfs/dbraw/zinc/23/13/02/341231302.db2.gz NLPDSHNXSBZXDZ-BDJLRTHQSA-N 0 0 324.446 3.408 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000079206698 341255279 /nfs/dbraw/zinc/25/52/79/341255279.db2.gz HTKPMTZCOWKOOA-ILXRZTDVSA-N 0 0 321.417 3.025 10 30 DGEERN C=CCC[C@@H](C(=O)N(C)Cc1cnn(C)c1C)c1ccccc1 ZINC000548398538 341258758 /nfs/dbraw/zinc/25/87/58/341258758.db2.gz 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/nfs/dbraw/zinc/30/05/67/341300567.db2.gz RYLQULITKMAVDC-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081695168 341302445 /nfs/dbraw/zinc/30/24/45/341302445.db2.gz KYCRSYORMRDHAH-GFCCVEGCSA-N 0 0 324.384 3.236 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000553365477 341426846 /nfs/dbraw/zinc/42/68/46/341426846.db2.gz KVTFJPAEFWCROV-DOMZBBRYSA-N 0 0 310.825 3.417 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC000565784104 341538127 /nfs/dbraw/zinc/53/81/27/341538127.db2.gz SSHDXQDAVHUFCB-UHFFFAOYSA-N 0 0 308.765 3.229 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153704204 341577516 /nfs/dbraw/zinc/57/75/16/341577516.db2.gz YQHCTLZULLXGKD-CQSZACIVSA-N 0 0 310.401 3.213 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000567859424 341637409 /nfs/dbraw/zinc/63/74/09/341637409.db2.gz BOAABVFFSUPJCQ-DMDPSCGWSA-N 0 0 317.462 3.377 10 30 DGEERN C=CCN(c1nnc(C(F)(F)Oc2ccccc2)n1C)C1CC1 ZINC000575838433 341808744 /nfs/dbraw/zinc/80/87/44/341808744.db2.gz HVXXJINTGWHUJU-UHFFFAOYSA-N 0 0 320.343 3.098 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000577752420 341934538 /nfs/dbraw/zinc/93/45/38/341934538.db2.gz USYUTSBNSUOBBO-CQSZACIVSA-N 0 0 318.446 3.056 10 30 DGEERN Cc1cc2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c(C)n2n1 ZINC000329371733 534133676 /nfs/dbraw/zinc/13/36/76/534133676.db2.gz KEYNAVVVMJXTIB-UHFFFAOYSA-N 0 0 324.428 3.475 10 30 DGEERN COC(=O)c1ccc(CNc2cc(C(C)=O)ccc2C#N)cc1 ZINC000302112025 534150544 /nfs/dbraw/zinc/15/05/44/534150544.db2.gz PXHAEGZAHHXZSY-UHFFFAOYSA-N 0 0 308.337 3.160 10 30 DGEERN COc1ccccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000159068214 534169392 /nfs/dbraw/zinc/16/93/92/534169392.db2.gz QEOOMSRTDKHWKY-UHFFFAOYSA-N 0 0 310.353 3.363 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000486456508 534360779 /nfs/dbraw/zinc/36/07/79/534360779.db2.gz DMCIQQPAGYGLMM-POAQFYNOSA-N 0 0 313.441 3.378 10 30 DGEERN C=C(CC)CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000452045139 534418439 /nfs/dbraw/zinc/41/84/39/534418439.db2.gz SWRYJYJZJCXJAS-UHFFFAOYSA-N 0 0 308.230 3.379 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000455365284 534507866 /nfs/dbraw/zinc/50/78/66/534507866.db2.gz KLBTZTHNYCDSJD-AWEZNQCLSA-N 0 0 316.401 3.474 10 30 DGEERN CCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1 ZINC000033743851 520856227 /nfs/dbraw/zinc/85/62/27/520856227.db2.gz ROMMXHJAMZUDBT-ATVHPVEESA-N 0 0 305.447 3.216 10 30 DGEERN N#CC1(C(=O)NCc2ccn(Cc3ccccc3)n2)CCCCC1 ZINC000284669546 534543839 /nfs/dbraw/zinc/54/38/39/534543839.db2.gz MIXCKEMDGMKYAT-UHFFFAOYSA-N 0 0 322.412 3.022 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1-n1cccn1 ZINC000495168919 534548288 /nfs/dbraw/zinc/54/82/88/534548288.db2.gz CWEGSEBALKCYOT-MRXNPFEDSA-N 0 0 310.401 3.122 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000494214137 534549745 /nfs/dbraw/zinc/54/97/45/534549745.db2.gz YLBGSXBQXHXDPZ-GXTWGEPZSA-N 0 0 302.374 3.226 10 30 DGEERN C=C[C@@H]1CCCCN1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000489433528 534557998 /nfs/dbraw/zinc/55/79/98/534557998.db2.gz UTGSVOMAXIJEDG-GFCCVEGCSA-N 0 0 305.447 3.001 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000456260500 534571580 /nfs/dbraw/zinc/57/15/80/534571580.db2.gz IFAQKBIYBCEJAY-KURKYZTESA-N 0 0 315.413 3.044 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3cccc4c3OCCO4)cc2)CC1 ZINC000179750440 534576212 /nfs/dbraw/zinc/57/62/12/534576212.db2.gz AODXXYOAHUMEGY-UHFFFAOYSA-N 0 0 320.348 3.265 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2nc([C@@H](C)OC)no2)CCCCC1 ZINC000450036361 534580999 /nfs/dbraw/zinc/58/09/99/534580999.db2.gz XBOCXFWSIIMUMN-CYBMUJFWSA-N 0 0 321.421 3.262 10 30 DGEERN Cc1cccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)c1 ZINC000171044851 534583739 /nfs/dbraw/zinc/58/37/39/534583739.db2.gz DNDABYLSPPYJPA-AATRIKPKSA-N 0 0 314.410 3.184 10 30 DGEERN C=CCC1(C(=O)NCc2c3c(nn2C)CCCC3)CCCC1 ZINC000451881181 534590307 /nfs/dbraw/zinc/59/03/07/534590307.db2.gz OZFQZEHOJZZBJR-UHFFFAOYSA-N 0 0 301.434 3.052 10 30 DGEERN N#CCCCCNC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000170885538 534599126 /nfs/dbraw/zinc/59/91/26/534599126.db2.gz AVKNVRGDWLBHQO-INIZCTEOSA-N 0 0 303.381 3.236 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000455409053 534599640 /nfs/dbraw/zinc/59/96/40/534599640.db2.gz NJLJWYCKEUKWFV-CVEARBPZSA-N 0 0 318.392 3.000 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000459011010 534600308 /nfs/dbraw/zinc/60/03/08/534600308.db2.gz BUZRXPPAYFWUFS-TUVASFSCSA-N 0 0 304.390 3.106 10 30 DGEERN Cc1cnc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000181544114 534617500 /nfs/dbraw/zinc/61/75/00/534617500.db2.gz LKINIBMUDBECIB-GFCCVEGCSA-N 0 0 311.410 3.498 10 30 DGEERN N#CCCn1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000173360730 534658011 /nfs/dbraw/zinc/65/80/11/534658011.db2.gz UZCLAIIHUDVYRQ-UHFFFAOYSA-N 0 0 321.384 3.118 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000469155370 534675844 /nfs/dbraw/zinc/67/58/44/534675844.db2.gz NUYVSMIIPJFLHW-UHFFFAOYSA-N 0 0 315.410 3.201 10 30 DGEERN C=CCCCCNC(=O)c1cccc(COC2CCOCC2)c1 ZINC000471712261 534688651 /nfs/dbraw/zinc/68/86/51/534688651.db2.gz CLIOQMREGKNIFW-UHFFFAOYSA-N 0 0 317.429 3.468 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000494904486 534690308 /nfs/dbraw/zinc/69/03/08/534690308.db2.gz RONPRKOSHIJKSO-GOEBONIOSA-N 0 0 300.402 3.487 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000488823252 534693754 /nfs/dbraw/zinc/69/37/54/534693754.db2.gz LWTSFRNRUIZNSV-LBPRGKRZSA-N 0 0 301.312 3.016 10 30 DGEERN N#CCc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000180616550 534723433 /nfs/dbraw/zinc/72/34/33/534723433.db2.gz QGARCLHIGMTPPS-INIZCTEOSA-N 0 0 309.373 3.235 10 30 DGEERN C=CCCCNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000468388581 534729033 /nfs/dbraw/zinc/72/90/33/534729033.db2.gz AVXSDKLJQVZZCE-LLVKDONJSA-N 0 0 312.207 3.299 10 30 DGEERN N#C[C@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)C1CC1 ZINC000108842363 534744577 /nfs/dbraw/zinc/74/45/77/534744577.db2.gz BGRCJQGLIFHUHH-VIFPVBQESA-N 0 0 307.762 3.088 10 30 DGEERN COc1ccccc1/C=N\n1cnnc1SCc1ccccc1 ZINC000000147631 524326591 /nfs/dbraw/zinc/32/65/91/524326591.db2.gz RMGPGMQVLSBWHM-ODLFYWEKSA-N 0 0 324.409 3.461 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2cnc(CC3CC3)nc2)cc1 ZINC000451529000 534881903 /nfs/dbraw/zinc/88/19/03/534881903.db2.gz CVXVQOWJVSPMCH-UHFFFAOYSA-N 0 0 323.396 3.175 10 30 DGEERN CC#CCCCc1nc(CCn2c(C)nc3ccccc32)no1 ZINC000347063764 526307087 /nfs/dbraw/zinc/30/70/87/526307087.db2.gz DSZNBXNMVFVHJY-UHFFFAOYSA-N 0 0 308.385 3.316 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@H](C)n1nc(C)cc1C ZINC000346486863 526311199 /nfs/dbraw/zinc/31/11/99/526311199.db2.gz VCGFLDLHEUSDJA-KRWDZBQOSA-N 0 0 311.429 3.318 10 30 DGEERN C=CCN(CCc1ccccc1)c1nc([C@@H](C)OC)ns1 ZINC000337905403 526315052 /nfs/dbraw/zinc/31/50/52/526315052.db2.gz BDHIEYMJQCEYJQ-CYBMUJFWSA-N 0 0 303.431 3.481 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnnc(C)c1 ZINC000342304875 526335612 /nfs/dbraw/zinc/33/56/12/526335612.db2.gz UALOSSGQQCITME-UHFFFAOYSA-N 0 0 307.806 3.328 10 30 DGEERN CC#CCN(C)C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000341026235 526346080 /nfs/dbraw/zinc/34/60/80/526346080.db2.gz QZFXFWBGBQOCFL-UHFFFAOYSA-N 0 0 320.436 3.171 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431212153 526348388 /nfs/dbraw/zinc/34/83/88/526348388.db2.gz TUBKPWKJAPKEEF-JKSUJKDBSA-N 0 0 315.373 3.091 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@](C)(C#N)CC ZINC000341634347 526349556 /nfs/dbraw/zinc/34/95/56/526349556.db2.gz DPZLBXSZXVCJCV-INIZCTEOSA-N 0 0 301.346 3.049 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)[C@@H](C)COC ZINC000360104439 526349863 /nfs/dbraw/zinc/34/98/63/526349863.db2.gz LEGBQCTWKSLSHQ-UONOGXRCSA-N 0 0 320.389 3.028 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nnc(C)o1 ZINC000411198458 526350021 /nfs/dbraw/zinc/35/00/21/526350021.db2.gz XSRHDIMSRXLBRL-NSHDSACASA-N 0 0 302.334 3.035 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](OC)[C@@H](C)CC ZINC000355274271 526350376 /nfs/dbraw/zinc/35/03/76/526350376.db2.gz JPCBBNAYUNSELI-XJKSGUPXSA-N 0 0 320.389 3.171 10 30 DGEERN C=CCN(Cc1ccccc1OCCOC)CC(F)(F)F ZINC000092471961 526365992 /nfs/dbraw/zinc/36/59/92/526365992.db2.gz KQVLDWOBNDPGRY-UHFFFAOYSA-N 0 0 303.324 3.262 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000424711081 526435503 /nfs/dbraw/zinc/43/55/03/526435503.db2.gz IQOVLYVAUIPNKO-LBPRGKRZSA-N 0 0 308.372 3.262 10 30 DGEERN C=C(C)CCSCC(=O)N(C)CCOc1ccccc1F ZINC000350717664 526458985 /nfs/dbraw/zinc/45/89/85/526458985.db2.gz ACFCGESXTNQARB-UHFFFAOYSA-N 0 0 311.422 3.362 10 30 DGEERN N#CCCN/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000004865204 526458949 /nfs/dbraw/zinc/45/89/49/526458949.db2.gz SDDMTICLYXAULE-HAVVHWLPSA-N 0 0 303.369 3.013 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(C)CCC1 ZINC000354140992 526555310 /nfs/dbraw/zinc/55/53/10/526555310.db2.gz BQVSHVQXCNEMAW-UHFFFAOYSA-N 0 0 306.406 3.050 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424831748 526557261 /nfs/dbraw/zinc/55/72/61/526557261.db2.gz IMFSXZRCDJNHRL-ZIAGYGMSSA-N 0 0 309.381 3.205 10 30 DGEERN C=CCNC(=O)CSCc1coc(-c2ccc(F)cc2)n1 ZINC000056244321 526576785 /nfs/dbraw/zinc/57/67/85/526576785.db2.gz NRYUAQGQEFCFFY-UHFFFAOYSA-N 0 0 306.362 3.016 10 30 DGEERN C=CCNC(=O)CSCc1sc(C)nc1C(F)(F)F ZINC000184529445 526577051 /nfs/dbraw/zinc/57/70/51/526577051.db2.gz DGYOREMNUIELQJ-UHFFFAOYSA-N 0 0 310.366 3.006 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccn(C2CCCC2)n1 ZINC000154729003 526577274 /nfs/dbraw/zinc/57/72/74/526577274.db2.gz BLTYLFHLXSDRAV-UHFFFAOYSA-N 0 0 311.345 3.390 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)CCCSC)cc1 ZINC000346198936 526617401 /nfs/dbraw/zinc/61/74/01/526617401.db2.gz FXMPGNUCADUODQ-UHFFFAOYSA-N 0 0 307.419 3.076 10 30 DGEERN C=C(C)CNC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000430311901 526617871 /nfs/dbraw/zinc/61/78/71/526617871.db2.gz MJCOTYUFSFLIKT-OAHLLOKOSA-N 0 0 302.422 3.251 10 30 DGEERN C=C(C)CNC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000428115168 526621074 /nfs/dbraw/zinc/62/10/74/526621074.db2.gz KSQYUINYVNXFAP-IBGZPJMESA-N 0 0 306.409 3.483 10 30 DGEERN C=CCNC(=O)c1ccc(N(C)Cc2ccc(C)c(F)c2)nc1 ZINC000302701429 526640036 /nfs/dbraw/zinc/64/00/36/526640036.db2.gz IAHFJYLPIKFWES-UHFFFAOYSA-N 0 0 313.376 3.081 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1 ZINC000161114463 526649566 /nfs/dbraw/zinc/64/95/66/526649566.db2.gz KLQCHJRPMVVKCT-UHFFFAOYSA-N 0 0 313.401 3.224 10 30 DGEERN C#CCC(CC#C)C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000287577498 526672640 /nfs/dbraw/zinc/67/26/40/526672640.db2.gz QDVSQFUIHKCUAB-UHFFFAOYSA-N 0 0 321.342 3.417 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000287474004 526673731 /nfs/dbraw/zinc/67/37/31/526673731.db2.gz RMHIXOSPZUVFFK-UHFFFAOYSA-N 0 0 311.425 3.281 10 30 DGEERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cn3ccnc3s2)CCO1 ZINC000329835223 526677292 /nfs/dbraw/zinc/67/72/92/526677292.db2.gz LZKJIKYXXQXJJA-JQWIXIFHSA-N 0 0 307.419 3.294 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000178495214 526679155 /nfs/dbraw/zinc/67/91/55/526679155.db2.gz MCSWXAZTMYIHLP-SECBINFHSA-N 0 0 319.352 3.156 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 ZINC000178495201 526679563 /nfs/dbraw/zinc/67/95/63/526679563.db2.gz MCSWXAZTMYIHLP-VIFPVBQESA-N 0 0 319.352 3.156 10 30 DGEERN C#CCCCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000180265203 526686049 /nfs/dbraw/zinc/68/60/49/526686049.db2.gz AWHCTEBLUMUZFP-UHFFFAOYSA-N 0 0 302.393 3.422 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000184981989 526691888 /nfs/dbraw/zinc/69/18/88/526691888.db2.gz CUJZWVRJKXDFRD-CQSZACIVSA-N 0 0 302.418 3.303 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000184975259 526692829 /nfs/dbraw/zinc/69/28/29/526692829.db2.gz CRAMYFBUDNNBBY-OAHLLOKOSA-N 0 0 302.418 3.303 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000185117258 526693979 /nfs/dbraw/zinc/69/39/79/526693979.db2.gz ALLNMCFMFUVMKC-HZPDHXFCSA-N 0 0 320.477 3.086 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000364318400 526700463 /nfs/dbraw/zinc/70/04/63/526700463.db2.gz QTRLPWPVYDSUFP-TZMCWYRMSA-N 0 0 308.372 3.262 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000185281524 526700950 /nfs/dbraw/zinc/70/09/50/526700950.db2.gz UGPIIHXIWYABKN-KGLIPLIRSA-N 0 0 316.401 3.423 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000185596526 526702971 /nfs/dbraw/zinc/70/29/71/526702971.db2.gz NNJJQELCTAJBQO-JLCFBVMHSA-N 0 0 323.458 3.123 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000185679030 526704869 /nfs/dbraw/zinc/70/48/69/526704869.db2.gz ANBKONZASMIEPM-CQSZACIVSA-N 0 0 301.386 3.430 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)NCCc2ccccc2)no1 ZINC000289130209 526705273 /nfs/dbraw/zinc/70/52/73/526705273.db2.gz LWFYPNKWIVCBIO-CQSZACIVSA-N 0 0 313.401 3.041 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC[C@@H]1c2cc(CC)ccc2NC1=O ZINC000343605962 526711202 /nfs/dbraw/zinc/71/12/02/526711202.db2.gz QFMSVCLFOOXDQE-DZGCQCFKSA-N 0 0 314.429 3.393 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000185416053 526712071 /nfs/dbraw/zinc/71/20/71/526712071.db2.gz WJHVNIZCHBATCW-JKSUJKDBSA-N 0 0 316.445 3.240 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(OC)c(Br)cn1 ZINC000342015130 526714061 /nfs/dbraw/zinc/71/40/61/526714061.db2.gz SVFJAEZRGHCECN-VIFPVBQESA-N 0 0 313.195 3.394 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000184283893 526714107 /nfs/dbraw/zinc/71/41/07/526714107.db2.gz IQBZZUVSCPABDJ-NSHDSACASA-N 0 0 313.357 3.346 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC(=O)OC)cc1C ZINC000185239332 526714474 /nfs/dbraw/zinc/71/44/74/526714474.db2.gz KWVRDVHOOYYPSV-ZDUSSCGKSA-N 0 0 305.374 3.088 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000185847144 526714505 /nfs/dbraw/zinc/71/45/05/526714505.db2.gz DCHIXTIAGJAFOF-GJZGRUSLSA-N 0 0 302.418 3.453 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000341326315 526715095 /nfs/dbraw/zinc/71/50/95/526715095.db2.gz QREHXSCYSIZPGX-ZDUSSCGKSA-N 0 0 321.384 3.356 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000338783905 526722283 /nfs/dbraw/zinc/72/22/83/526722283.db2.gz HYSHZPCKTORAJU-UHFFFAOYSA-N 0 0 314.433 3.424 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(OC)CC1 ZINC000338802700 526728546 /nfs/dbraw/zinc/72/85/46/526728546.db2.gz FIILRLQZQYSQHK-UHFFFAOYSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(=C)CC1 ZINC000338808309 526729244 /nfs/dbraw/zinc/72/92/44/526729244.db2.gz ONLYPBPMATZTPO-UHFFFAOYSA-N 0 0 312.417 3.389 10 30 DGEERN C=CCOCCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000173822532 526729605 /nfs/dbraw/zinc/72/96/05/526729605.db2.gz FGBMTRXJSBCVNP-UHFFFAOYSA-N 0 0 320.408 3.211 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000359116181 526737112 /nfs/dbraw/zinc/73/71/12/526737112.db2.gz OJEFPFNJNLOAFC-GOEBONIOSA-N 0 0 324.428 3.439 10 30 DGEERN C=CCOCCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000173623389 526737114 /nfs/dbraw/zinc/73/71/14/526737114.db2.gz RYOXPODXVWDYDQ-DOTOQJQBSA-N 0 0 317.429 3.382 10 30 DGEERN C#CCCS(=O)(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000367463961 526746388 /nfs/dbraw/zinc/74/63/88/526746388.db2.gz HPCYWGJYVGERGH-HNNXBMFYSA-N 0 0 311.834 3.220 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cc(-n2cccn2)ccc1C)OCC ZINC000355614084 526751503 /nfs/dbraw/zinc/75/15/03/526751503.db2.gz ZJYJJBORPAVCFT-QGZVFWFLSA-N 0 0 313.401 3.491 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@@H]1CCOC1(C)C)c1ccc(F)c(F)c1 ZINC000296847511 526756098 /nfs/dbraw/zinc/75/60/98/526756098.db2.gz MBWCQGAOFMRVHL-HUUCEWRRSA-N 0 0 324.371 3.449 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(OCCC(C)C)CC1 ZINC000345842389 526759614 /nfs/dbraw/zinc/75/96/14/526759614.db2.gz IPMXSQCXJYNHQT-IRXDYDNUSA-N 0 0 309.450 3.021 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000347099456 526759665 /nfs/dbraw/zinc/75/96/65/526759665.db2.gz KWMDMECLOVADNZ-WFASDCNBSA-N 0 0 311.784 3.419 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H](OCC)C1CCCC1 ZINC000346194252 526763397 /nfs/dbraw/zinc/76/33/97/526763397.db2.gz ZHWXEAOEKXLAHC-BBWFWOEESA-N 0 0 309.450 3.069 10 30 DGEERN C=C(C)[C@H](CC(=O)NCCc1cc(F)c(F)c(F)c1)OCC ZINC000356044221 526812375 /nfs/dbraw/zinc/81/23/75/526812375.db2.gz PIHVFJNHXKQHIY-AWEZNQCLSA-N 0 0 315.335 3.134 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1)OCC ZINC000355171877 526814473 /nfs/dbraw/zinc/81/44/73/526814473.db2.gz WTNBIYQKAIZZHM-VKJFTORMSA-N 0 0 311.466 3.051 10 30 DGEERN C=CCO[C@@H]1CCN(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000302124009 526820756 /nfs/dbraw/zinc/82/07/56/526820756.db2.gz FDSYCLCPWADVAM-CYBMUJFWSA-N 0 0 305.765 3.171 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cn(C(C)C)nn1)c1ccc(F)c(F)c1 ZINC000347206982 526820924 /nfs/dbraw/zinc/82/09/24/526820924.db2.gz QNRQPSIPQBILBU-HNNXBMFYSA-N 0 0 320.343 3.184 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)Nc1csc(C)n1 ZINC000344128108 526830784 /nfs/dbraw/zinc/83/07/84/526830784.db2.gz IUCLHNAJIPWHPA-UHFFFAOYSA-N 0 0 304.371 3.277 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1cnc2ccc(F)cc2c1 ZINC000282630985 526842679 /nfs/dbraw/zinc/84/26/79/526842679.db2.gz DIWXKIQMYRZTMH-GDBMZVCRSA-N 0 0 301.317 3.261 10 30 DGEERN C=C(CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000360227610 526864900 /nfs/dbraw/zinc/86/49/00/526864900.db2.gz WIVXVDOFYRDOOC-UHFFFAOYSA-N 0 0 302.377 3.419 10 30 DGEERN C=C(CNC(=O)C(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000360224943 526864945 /nfs/dbraw/zinc/86/49/45/526864945.db2.gz HFJKLHFXRQIHOY-UHFFFAOYSA-N 0 0 305.377 3.188 10 30 DGEERN C=C(CNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000359644752 526872608 /nfs/dbraw/zinc/87/26/08/526872608.db2.gz FHWVERDYDPEPSH-UHFFFAOYSA-N 0 0 321.380 3.079 10 30 DGEERN C=C(CNC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1 ZINC000345728219 526878043 /nfs/dbraw/zinc/87/80/43/526878043.db2.gz MVCMQKKULHWXQB-UHFFFAOYSA-N 0 0 303.365 3.316 10 30 DGEERN C=CCOc1ccc(CNc2ccc3[nH]c(=O)n(C)c3c2)cc1 ZINC000442969513 526891585 /nfs/dbraw/zinc/89/15/85/526891585.db2.gz SQGDSOJFWSJKLK-UHFFFAOYSA-N 0 0 309.369 3.456 10 30 DGEERN C=C1CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000340649144 526894336 /nfs/dbraw/zinc/89/43/36/526894336.db2.gz FIDFBUMDZFKKSH-UHFFFAOYSA-N 0 0 321.367 3.192 10 30 DGEERN C=C1CCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000339983906 526901207 /nfs/dbraw/zinc/90/12/07/526901207.db2.gz FSNKQWZOUVLLKL-CYBMUJFWSA-N 0 0 306.431 3.138 10 30 DGEERN C=C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000282787376 526908332 /nfs/dbraw/zinc/90/83/32/526908332.db2.gz NGPKPERTOHXAHR-UHFFFAOYSA-N 0 0 313.361 3.030 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cnc3cnccc3c2)c1 ZINC000336883235 526919192 /nfs/dbraw/zinc/91/91/92/526919192.db2.gz CPVSDNZIAPYCLD-UHFFFAOYSA-N 0 0 305.337 3.447 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1CC(C)=C[C@@H](C)C1 ZINC000430701932 526937929 /nfs/dbraw/zinc/93/79/29/526937929.db2.gz QDARVEYYYWTKGB-CQSZACIVSA-N 0 0 300.402 3.359 10 30 DGEERN C=CC1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000113054589 526963348 /nfs/dbraw/zinc/96/33/48/526963348.db2.gz DEHGFMSEKWZBHT-UHFFFAOYSA-N 0 0 314.360 3.448 10 30 DGEERN C=CC1CCN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000117054446 526965806 /nfs/dbraw/zinc/96/58/06/526965806.db2.gz UMGDHDQMIWOPPX-UHFFFAOYSA-N 0 0 315.392 3.457 10 30 DGEERN C=CC1CCN(C(=O)Nc2ccc(F)c(C(=O)OC)c2C)CC1 ZINC000353860308 526970686 /nfs/dbraw/zinc/97/06/86/526970686.db2.gz MZSNTBIVUNRRBV-UHFFFAOYSA-N 0 0 320.364 3.351 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000429821241 526986761 /nfs/dbraw/zinc/98/67/61/526986761.db2.gz DGKLWECHQSJRFM-UHFFFAOYSA-N 0 0 312.417 3.038 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000353156853 526987720 /nfs/dbraw/zinc/98/77/20/526987720.db2.gz SPSXBFBLYKFBGS-IBGZPJMESA-N 0 0 301.430 3.141 10 30 DGEERN C=CCC(C)(C)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000352469238 527001884 /nfs/dbraw/zinc/00/18/84/527001884.db2.gz CMXMJTVUGWPXKE-UHFFFAOYSA-N 0 0 303.402 3.109 10 30 DGEERN C=CCC(C)(C)CNC(=O)N(C)CCc1ccccc1OC ZINC000432596955 527004855 /nfs/dbraw/zinc/00/48/55/527004855.db2.gz JTJFIJDVFXFNSU-UHFFFAOYSA-N 0 0 304.434 3.481 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000432582514 527005997 /nfs/dbraw/zinc/00/59/97/527005997.db2.gz DAEQQEGMPRDHNB-INIZCTEOSA-N 0 0 318.417 3.077 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000433261118 527010149 /nfs/dbraw/zinc/01/01/49/527010149.db2.gz MXXQHNMBDRAJDF-UHFFFAOYSA-N 0 0 320.437 3.267 10 30 DGEERN C=CCC(CC=C)C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000343858576 527029391 /nfs/dbraw/zinc/02/93/91/527029391.db2.gz KSQUELGYQYGWIT-UHFFFAOYSA-N 0 0 303.793 3.372 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000356876387 527045969 /nfs/dbraw/zinc/04/59/69/527045969.db2.gz RHLMSSOYCPOUAJ-UKRRQHHQSA-N 0 0 315.421 3.080 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CCCCC1 ZINC000410621510 527046589 /nfs/dbraw/zinc/04/65/89/527046589.db2.gz UCEYTXMPZROZHR-IXDOHACOSA-N 0 0 321.461 3.308 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000337090314 527051740 /nfs/dbraw/zinc/05/17/40/527051740.db2.gz JPNAUMUMJBCLME-QGZVFWFLSA-N 0 0 317.429 3.467 10 30 DGEERN C=CCC1(C(=O)NCCCc2ccc(OC)cc2)CCOCC1 ZINC000424710313 527051711 /nfs/dbraw/zinc/05/17/11/527051711.db2.gz BEHLULHNOLXQTN-UHFFFAOYSA-N 0 0 317.429 3.117 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ncc(Br)cn2)CCC1 ZINC000356641963 527056659 /nfs/dbraw/zinc/05/66/59/527056659.db2.gz FPOIGCWAACXDSX-JTQLQIEISA-N 0 0 324.222 3.163 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCC1 ZINC000412947976 527058126 /nfs/dbraw/zinc/05/81/26/527058126.db2.gz LNNPIJYCUURDBI-OAHLLOKOSA-N 0 0 302.393 3.267 10 30 DGEERN C#CCOCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000153503502 527063899 /nfs/dbraw/zinc/06/38/99/527063899.db2.gz SGZQKDMLKCPKAB-AWEZNQCLSA-N 0 0 320.458 3.012 10 30 DGEERN C#CCO[C@@H](C)c1nc([C@H](OC)c2cccc(Cl)c2)no1 ZINC000297883215 527077545 /nfs/dbraw/zinc/07/75/45/527077545.db2.gz VCFQRGXCVJWTKY-GXFFZTMASA-N 0 0 306.749 3.170 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000184444639 527086852 /nfs/dbraw/zinc/08/68/52/527086852.db2.gz DCJSRFGVHQFKJZ-INIZCTEOSA-N 0 0 317.429 3.037 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000183371536 527095424 /nfs/dbraw/zinc/09/54/24/527095424.db2.gz BTMCTUIJVIMTAS-ZDUSSCGKSA-N 0 0 324.471 3.224 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000185699841 527101397 /nfs/dbraw/zinc/10/13/97/527101397.db2.gz PEOKMDCOUJKMRA-JTQLQIEISA-N 0 0 322.817 3.130 10 30 DGEERN C=CC[C@@H](CO)Nc1nc(C)nc2sc3c(c21)CC[C@H](C)C3 ZINC000358486450 527104298 /nfs/dbraw/zinc/10/42/98/527104298.db2.gz YEWCPLGMSXZTPE-JQWIXIFHSA-N 0 0 317.458 3.473 10 30 DGEERN C=CCCCC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000175630457 527108402 /nfs/dbraw/zinc/10/84/02/527108402.db2.gz GUMODLMEYDXMPW-UHFFFAOYSA-N 0 0 317.429 3.355 10 30 DGEERN C=CCCCC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000176340951 527109120 /nfs/dbraw/zinc/10/91/20/527109120.db2.gz JUUSDJQOXGTFLH-INIZCTEOSA-N 0 0 303.402 3.462 10 30 DGEERN C=CCCCC(=O)N[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000356217628 527111443 /nfs/dbraw/zinc/11/14/43/527111443.db2.gz OAFXYXIEWOTKJD-QGZVFWFLSA-N 0 0 307.365 3.077 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000153238916 527122620 /nfs/dbraw/zinc/12/26/20/527122620.db2.gz YDNXAHZIVJDEFS-AWEZNQCLSA-N 0 0 319.453 3.063 10 30 DGEERN C=CCCCCCN(C)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000339550750 527122991 /nfs/dbraw/zinc/12/29/91/527122991.db2.gz NWSAZNCVFXRFFL-UHFFFAOYSA-N 0 0 316.449 3.284 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129210225 527127806 /nfs/dbraw/zinc/12/78/06/527127806.db2.gz LITXKSUITRKBRS-BBRMVZONSA-N 0 0 306.381 3.182 10 30 DGEERN C#CCOc1ccccc1CNc1cccc2c1OCC[C@@H]2O ZINC000184069144 527129737 /nfs/dbraw/zinc/12/97/37/527129737.db2.gz DOZRYPMDLOGCBZ-KRWDZBQOSA-N 0 0 309.365 3.127 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344611029 527134550 /nfs/dbraw/zinc/13/45/50/527134550.db2.gz ZSCUUVTWFNQVJV-JTQLQIEISA-N 0 0 301.346 3.041 10 30 DGEERN C=CCCCCNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000372115967 527164494 /nfs/dbraw/zinc/16/44/94/527164494.db2.gz HPHYSMFVNVPKBG-LJQANCHMSA-N 0 0 314.429 3.154 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000285666432 527171303 /nfs/dbraw/zinc/17/13/03/527171303.db2.gz FPVYAFNHZWVRFW-OTWHNJEPSA-N 0 0 313.441 3.333 10 30 DGEERN CC(=O)c1c[nH]c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000352224818 527180596 /nfs/dbraw/zinc/18/05/96/527180596.db2.gz CSFAYGSSBLQCKV-MRXNPFEDSA-N 0 0 309.369 3.382 10 30 DGEERN C=CCCCN(C)C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000076489332 527181721 /nfs/dbraw/zinc/18/17/21/527181721.db2.gz JUTCWHBSBNPZRU-INIZCTEOSA-N 0 0 322.836 3.332 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000076940006 527185017 /nfs/dbraw/zinc/18/50/17/527185017.db2.gz HROMMWVYFNFZPM-ZDUSSCGKSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000076489711 527187576 /nfs/dbraw/zinc/18/75/76/527187576.db2.gz SEHVMSXJNRNRBI-KRWDZBQOSA-N 0 0 316.445 3.174 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000176364579 527188667 /nfs/dbraw/zinc/18/86/67/527188667.db2.gz BFYIFLJDCLYPEL-QGZVFWFLSA-N 0 0 304.409 3.215 10 30 DGEERN C=CCCCN(C)C(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000360268913 527190655 /nfs/dbraw/zinc/19/06/55/527190655.db2.gz SIRIOPYDLCWSHE-OAHLLOKOSA-N 0 0 301.434 3.356 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000076485621 527191187 /nfs/dbraw/zinc/19/11/87/527191187.db2.gz OVTNGSBQUVCZHM-XJKSGUPXSA-N 0 0 300.402 3.319 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000337040810 527193409 /nfs/dbraw/zinc/19/34/09/527193409.db2.gz AZSWXWRBADZWFJ-OAHLLOKOSA-N 0 0 320.820 3.128 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCO1 ZINC000339023076 527196094 /nfs/dbraw/zinc/19/60/94/527196094.db2.gz IFYWFVVPCQRNNX-GJZGRUSLSA-N 0 0 306.454 3.373 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000183321808 527198896 /nfs/dbraw/zinc/19/88/96/527198896.db2.gz HZLIHWFBZNDLNA-HZPDHXFCSA-N 0 0 322.836 3.417 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000346772683 527200261 /nfs/dbraw/zinc/20/02/61/527200261.db2.gz AJRPEVBPMRBPJT-CABCVRRESA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000183150551 527200664 /nfs/dbraw/zinc/20/06/64/527200664.db2.gz AIYFBKVQLHHTEK-CHWSQXEVSA-N 0 0 302.374 3.038 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000353714749 527203144 /nfs/dbraw/zinc/20/31/44/527203144.db2.gz UIXRQFRBIBYSQY-OAHLLOKOSA-N 0 0 311.385 3.116 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000185696226 527205511 /nfs/dbraw/zinc/20/55/11/527205511.db2.gz NLEUADNJGIYDTE-MGPQQGTHSA-N 0 0 314.212 3.150 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cnn2c1CCCC2 ZINC000412844369 527221657 /nfs/dbraw/zinc/22/16/57/527221657.db2.gz UBGHWUVONRNWRO-MRXNPFEDSA-N 0 0 309.413 3.137 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCc2cccc(-c3nc[nH]n3)c2)c1 ZINC000302129510 527225957 /nfs/dbraw/zinc/22/59/57/527225957.db2.gz XLYJLVOKKKOILH-UHFFFAOYSA-N 0 0 317.352 3.158 10 30 DGEERN C=CCCCNC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000357144698 527227530 /nfs/dbraw/zinc/22/75/30/527227530.db2.gz BEWGEYNDILLRJO-UHFFFAOYSA-N 0 0 322.206 3.101 10 30 DGEERN C=CCCCSCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000344566637 527248177 /nfs/dbraw/zinc/24/81/77/527248177.db2.gz QBVMEMDZNLJKCL-UHFFFAOYSA-N 0 0 318.442 3.450 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000352237614 527252571 /nfs/dbraw/zinc/25/25/71/527252571.db2.gz KENUJYDPVDFDDX-CVEARBPZSA-N 0 0 316.445 3.375 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@](F)(CO)C1 ZINC000338467637 527258918 /nfs/dbraw/zinc/25/89/18/527258918.db2.gz KIZUSZSMQDCNCB-GOSISDBHSA-N 0 0 320.408 3.477 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)OC ZINC000191415270 527259595 /nfs/dbraw/zinc/25/95/95/527259595.db2.gz XXCQUAAPNUYIGE-UHFFFAOYSA-N 0 0 304.390 3.223 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000342963808 527266624 /nfs/dbraw/zinc/26/66/24/527266624.db2.gz GOAUSYYSPVDTPY-CYBMUJFWSA-N 0 0 300.406 3.415 10 30 DGEERN C=CCn1c(-c2ccc(C)o2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000350751551 527267689 /nfs/dbraw/zinc/26/76/89/527267689.db2.gz FOVGRCNUMQEUAL-CYBMUJFWSA-N 0 0 316.405 3.036 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)CC[C@H]1C ZINC000350751289 527272720 /nfs/dbraw/zinc/27/27/20/527272720.db2.gz CMGHYNCAOJUASH-UKRRQHHQSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC(C)(C)CC1 ZINC000337823174 527282000 /nfs/dbraw/zinc/28/20/00/527282000.db2.gz TYBJZBDHTUAHCK-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c(C(C)C)nnc1N(C)CCc1ncc(C)s1 ZINC000337898697 527289435 /nfs/dbraw/zinc/28/94/35/527289435.db2.gz GRJOSIKVXPCTAW-UHFFFAOYSA-N 0 0 305.451 3.031 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000337817981 527308198 /nfs/dbraw/zinc/30/81/98/527308198.db2.gz PPPLXQJVCLTWLJ-SFHVURJKSA-N 0 0 316.449 3.129 10 30 DGEERN C=CCCN(C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433642062 527312008 /nfs/dbraw/zinc/31/20/08/527312008.db2.gz LIKWMIRXMHNGLK-GFCCVEGCSA-N 0 0 304.287 3.489 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000337870609 527314549 /nfs/dbraw/zinc/31/45/49/527314549.db2.gz URPWJMSXKKKXSL-GFCCVEGCSA-N 0 0 314.355 3.195 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)C1CC(C)(C)C1 ZINC000414526775 527318777 /nfs/dbraw/zinc/31/87/77/527318777.db2.gz LFCVJCSNWVQLPG-UHFFFAOYSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CC1CCC1 ZINC000351165962 527319635 /nfs/dbraw/zinc/31/96/35/527319635.db2.gz MPVGKWAIHHMCSM-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000342947918 527330475 /nfs/dbraw/zinc/33/04/75/527330475.db2.gz UDWMTONVODPKPS-IAGOWNOFSA-N 0 0 309.450 3.025 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000342583737 527336900 /nfs/dbraw/zinc/33/69/00/527336900.db2.gz IYSJLXGJRIOKSS-CQSZACIVSA-N 0 0 319.401 3.356 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1cccc(C)c1 ZINC000442910476 527339133 /nfs/dbraw/zinc/33/91/33/527339133.db2.gz BIAYTKYADZMMCK-UHFFFAOYSA-N 0 0 315.442 3.447 10 30 DGEERN C=CCn1c(SC[C@H](OC)C2CC2)nnc1-c1ccncc1 ZINC000424090363 527341847 /nfs/dbraw/zinc/34/18/47/527341847.db2.gz IYMSLYLDLRYXMA-AWEZNQCLSA-N 0 0 316.430 3.043 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC000424119505 527351993 /nfs/dbraw/zinc/35/19/93/527351993.db2.gz DUDHYZXSTIXSOB-OLZOCXBDSA-N 0 0 322.478 3.036 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000361420988 527393488 /nfs/dbraw/zinc/39/34/88/527393488.db2.gz DNBNLAILDLRFOL-RDTXWAMCSA-N 0 0 305.393 3.297 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000341229671 527403263 /nfs/dbraw/zinc/40/32/63/527403263.db2.gz QEKZYYFROQVRIB-GFCCVEGCSA-N 0 0 300.358 3.163 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000129335004 527420020 /nfs/dbraw/zinc/42/00/20/527420020.db2.gz NEYWLUVNTIFSBE-YJBOKZPZSA-N 0 0 309.413 3.444 10 30 DGEERN C=CCC[C@@H](C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000190244377 527423482 /nfs/dbraw/zinc/42/34/82/527423482.db2.gz LMBAANKHEYGXIM-VQTJNVASSA-N 0 0 323.436 3.456 10 30 DGEERN C=CCC[C@@H](C(=O)NC[C@@H](CO)c1cccnc1)c1ccccc1 ZINC000360448761 527423746 /nfs/dbraw/zinc/42/37/46/527423746.db2.gz VJYTUHXHQRSRLQ-RBUKOAKNSA-N 0 0 324.424 3.024 10 30 DGEERN C#Cc1cccc(N(C(=O)c2cnc(C3CC3)nc2)C(C)C)c1 ZINC000294891329 527438331 /nfs/dbraw/zinc/43/83/31/527438331.db2.gz FYNUZDOZXIOYFD-UHFFFAOYSA-N 0 0 305.381 3.391 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153247612 527456285 /nfs/dbraw/zinc/45/62/85/527456285.db2.gz MZPRKHGGGAOBDS-QGZVFWFLSA-N 0 0 310.353 3.175 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000153249171 527458396 /nfs/dbraw/zinc/45/83/96/527458396.db2.gz TVGDOECZLCLMLF-DYVFJYSZSA-N 0 0 306.365 3.354 10 30 DGEERN C#Cc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000368162818 527463715 /nfs/dbraw/zinc/46/37/15/527463715.db2.gz JTUSBLFJWLAMKA-WOJBJXKFSA-N 0 0 319.404 3.247 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC000425029099 527487104 /nfs/dbraw/zinc/48/71/04/527487104.db2.gz HKJAUHRVNJAXAL-OCCSQVGLSA-N 0 0 323.820 3.291 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000425848582 527494446 /nfs/dbraw/zinc/49/44/46/527494446.db2.gz DYANIAZEVNAYNA-XHSDSOJGSA-N 0 0 318.417 3.497 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000425852852 527494635 /nfs/dbraw/zinc/49/46/35/527494635.db2.gz IISUVUSZMRXSFY-INTUILBWSA-N 0 0 306.450 3.330 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1ccccc1C ZINC000425573961 527494846 /nfs/dbraw/zinc/49/48/46/527494846.db2.gz KVYXPCVERRSTRA-RDJZCZTQSA-N 0 0 302.418 3.118 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC(C)C ZINC000424935290 527496769 /nfs/dbraw/zinc/49/67/69/527496769.db2.gz XPXLPCAATYEZHR-WFASDCNBSA-N 0 0 323.820 3.448 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c2ccccc12 ZINC000424913111 527497480 /nfs/dbraw/zinc/49/74/80/527497480.db2.gz JDQQOUPSOGBVSF-GUYCJALGSA-N 0 0 311.381 3.169 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000425177674 527499626 /nfs/dbraw/zinc/49/96/26/527499626.db2.gz HVNFZFFVIPEJGJ-KMFMINBZSA-N 0 0 323.458 3.070 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCCC1(F)CCC1 ZINC000357759308 527501141 /nfs/dbraw/zinc/50/11/41/527501141.db2.gz GMMBSVNJECUFGS-UHFFFAOYSA-N 0 0 318.392 3.142 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000337132422 527511419 /nfs/dbraw/zinc/51/14/19/527511419.db2.gz KEGLRWJKLXLJHM-UHFFFAOYSA-N 0 0 320.352 3.101 10 30 DGEERN C=CCCc1ccccc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000443420148 527511673 /nfs/dbraw/zinc/51/16/73/527511673.db2.gz TZENFNRASMFLRO-OAHLLOKOSA-N 0 0 309.431 3.116 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)CC1CC1 ZINC000185874040 527527367 /nfs/dbraw/zinc/52/73/67/527527367.db2.gz PEBPGSABSPOLJC-ACCUITESSA-N 0 0 313.357 3.150 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C#N)C(C)C ZINC000182470286 527527412 /nfs/dbraw/zinc/52/74/12/527527412.db2.gz OKPKSKHPBVRPMS-YHVDPYDOSA-N 0 0 301.346 3.053 10 30 DGEERN C=CCN(C)C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000430333663 527565536 /nfs/dbraw/zinc/56/55/36/527565536.db2.gz SQAFYQXYTHJLAM-QGZVFWFLSA-N 0 0 312.417 3.069 10 30 DGEERN CC(C)(C)C(=O)N1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301580582 527570318 /nfs/dbraw/zinc/57/03/18/527570318.db2.gz PHTKEUOOHMHSMM-UHFFFAOYSA-N 0 0 319.836 3.296 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1cccc(OC)c1 ZINC000299376253 527585639 /nfs/dbraw/zinc/58/56/39/527585639.db2.gz ICYDLXGKZBLHBC-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000069788303 527597135 /nfs/dbraw/zinc/59/71/35/527597135.db2.gz XZRKITSASIKZIA-UHFFFAOYSA-N 0 0 324.428 3.476 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413864393 527600629 /nfs/dbraw/zinc/60/06/29/527600629.db2.gz BYVABJLESZIQHY-CVEARBPZSA-N 0 0 317.408 3.155 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000188398225 527609299 /nfs/dbraw/zinc/60/92/99/527609299.db2.gz HZDIVOGUGVKLJE-LJQANCHMSA-N 0 0 316.445 3.383 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(C)Cc1ccccc1OCC ZINC000352523248 527614640 /nfs/dbraw/zinc/61/46/40/527614640.db2.gz LHCPNMJZVIUECQ-GOSISDBHSA-N 0 0 305.418 3.273 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361102164 527621845 /nfs/dbraw/zinc/62/18/45/527621845.db2.gz LDLPMBNKPZKILQ-SJORKVTESA-N 0 0 300.402 3.148 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2cccnc2OC(C)C)no1 ZINC000347236020 527623568 /nfs/dbraw/zinc/62/35/68/527623568.db2.gz GATSPROLRTWTMA-QGZVFWFLSA-N 0 0 317.389 3.399 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1cccc(OCC)n1 ZINC000342571425 527630980 /nfs/dbraw/zinc/63/09/80/527630980.db2.gz SDGZVYAEQRNPSV-CQSZACIVSA-N 0 0 320.458 3.303 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358960162 527640891 /nfs/dbraw/zinc/64/08/91/527640891.db2.gz QQYFJHAFOODBBO-UHFFFAOYSA-N 0 0 312.272 3.010 10 30 DGEERN CC(C)CCN(CCC#N)C(=O)c1ccc(-c2ncon2)cc1 ZINC000107248453 527714574 /nfs/dbraw/zinc/71/45/74/527714574.db2.gz SVSLTKKGEYDDDD-UHFFFAOYSA-N 0 0 312.373 3.139 10 30 DGEERN CC1(C)C[C@H](NC(=O)NCCCCC#N)c2ccccc2O1 ZINC000177972238 527733562 /nfs/dbraw/zinc/73/35/62/527733562.db2.gz RJWVILJGGVUSSW-AWEZNQCLSA-N 0 0 301.390 3.282 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175920798 527938090 /nfs/dbraw/zinc/93/80/90/527938090.db2.gz BQHUHHHPWPJGIE-SFHVURJKSA-N 0 0 324.384 3.282 10 30 DGEERN CCCCCCCC(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000109855858 528116860 /nfs/dbraw/zinc/11/68/60/528116860.db2.gz QIVNYIBSAKLHTE-HNNXBMFYSA-N 0 0 306.454 3.365 10 30 DGEERN CCCCCCCCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766902 528122511 /nfs/dbraw/zinc/12/25/11/528122511.db2.gz ZRHIYVDWKLUWRB-QGZVFWFLSA-N 0 0 310.482 3.060 10 30 DGEERN CCO[C@H]1C[C@](NCCCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000444671063 528161446 /nfs/dbraw/zinc/16/14/46/528161446.db2.gz HYBDDFBPZXQPDG-KSSFIOAISA-N 0 0 324.465 3.043 10 30 DGEERN CCOC(=O)c1cc(N2CCC(C)(C#N)CC2)ncc1Cl ZINC000359559045 528177796 /nfs/dbraw/zinc/17/77/96/528177796.db2.gz OGJPGEKZCHWTHE-UHFFFAOYSA-N 0 0 307.781 3.042 10 30 DGEERN CCCNc1nnc(Sc2cc(C)nc(C)c2C#N)s1 ZINC000301750411 528575881 /nfs/dbraw/zinc/57/58/81/528575881.db2.gz AOSWNADDTWOCHS-UHFFFAOYSA-N 0 0 305.432 3.395 10 30 DGEERN CCOc1ccc(SCC(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436000552 528592212 /nfs/dbraw/zinc/59/22/12/528592212.db2.gz LXUPNJXKXASZTC-UHFFFAOYSA-N 0 0 313.382 3.083 10 30 DGEERN CCCO[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000374236564 528602383 /nfs/dbraw/zinc/60/23/83/528602383.db2.gz DDWNPVSCPMKDGP-OFLPRAFFSA-N 0 0 321.465 3.307 10 30 DGEERN CC(C)Cc1ccc([C@@H](C)NS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000164374324 528654026 /nfs/dbraw/zinc/65/40/26/528654026.db2.gz WLBDDOYPLFABBZ-CQSZACIVSA-N 0 0 320.458 3.169 10 30 DGEERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000328922293 528686860 /nfs/dbraw/zinc/68/68/60/528686860.db2.gz UIHFKBISXOWROU-CTASWTNQSA-N 0 0 316.405 3.190 10 30 DGEERN CCC(CC)CN(CCC#N)Cc1nc(-c2ccoc2)no1 ZINC000173555508 528749929 /nfs/dbraw/zinc/74/99/29/528749929.db2.gz QHQSJXLOSIWEOF-UHFFFAOYSA-N 0 0 302.378 3.481 10 30 DGEERN CCCc1nc([C@@H](Nc2ncccc2C#N)c2ccccc2)no1 ZINC000301650434 528757327 /nfs/dbraw/zinc/75/73/27/528757327.db2.gz GDWXBWHYXKCMIH-INIZCTEOSA-N 0 0 319.368 3.490 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000356990361 528839533 /nfs/dbraw/zinc/83/95/33/528839533.db2.gz STFJYPSTLFNRSH-OCCSQVGLSA-N 0 0 304.340 3.221 10 30 DGEERN CC1(C#N)CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000356994022 528840093 /nfs/dbraw/zinc/84/00/93/528840093.db2.gz WYRHCPZCTHIXFH-UHFFFAOYSA-N 0 0 321.380 3.220 10 30 DGEERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329357248 528876830 /nfs/dbraw/zinc/87/68/30/528876830.db2.gz WMYBFBZNWRVEPV-STQMWFEESA-N 0 0 321.421 3.330 10 30 DGEERN CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488723541 534949242 /nfs/dbraw/zinc/94/92/42/534949242.db2.gz ILAAQTPXANOGGP-WBMJQRKESA-N 0 0 324.421 3.335 10 30 DGEERN CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000451995999 535924845 /nfs/dbraw/zinc/92/48/45/535924845.db2.gz OVAPOBKFEKRISB-INIZCTEOSA-N 0 0 324.421 3.086 10 30 DGEERN COC[C@](C)(C#N)NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000489170111 536613133 /nfs/dbraw/zinc/61/31/33/536613133.db2.gz KALIEZURWJQGIR-XFHJGTJQSA-N 0 0 300.402 3.258 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000185480014 546187624 /nfs/dbraw/zinc/18/76/24/546187624.db2.gz GAXXVVJZTZPZMS-HNNXBMFYSA-N 0 0 302.418 3.060 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000249136882 546324999 /nfs/dbraw/zinc/32/49/99/546324999.db2.gz VPGURWZKRROHDA-CABCVRRESA-N 0 0 304.409 3.465 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C)C1=O ZINC000296160756 546427557 /nfs/dbraw/zinc/42/75/57/546427557.db2.gz HGNAKWYGIIBUCJ-INIZCTEOSA-N 0 0 314.429 3.345 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCCOCC1 ZINC000329242876 546484252 /nfs/dbraw/zinc/48/42/52/546484252.db2.gz SNMWLGJENNHEGK-XQQFMLRXSA-N 0 0 322.371 3.428 10 30 DGEERN Cc1oc2ncnc(NC(=O)c3cc(C4CC4)n(C)n3)c2c1C ZINC000329597042 546488839 /nfs/dbraw/zinc/48/88/39/546488839.db2.gz IUPVOVMBVAZBRJ-UHFFFAOYSA-N 0 0 311.345 3.087 10 30 DGEERN CC(=O)NC1(c2noc([C@@H]3CCCC(=O)N3)n2)CCCCC1 ZINC000329759342 546491514 /nfs/dbraw/zinc/49/15/14/546491514.db2.gz OSTXWQFLYGHINZ-NSHDSACASA-N 0 0 306.366 3.387 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1csc(-c2ccccn2)n1 ZINC000332912565 546500958 /nfs/dbraw/zinc/50/09/58/546500958.db2.gz ZNJATBMIKUDREG-GHMZBOCLSA-N 0 0 313.386 3.019 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000342993814 546561061 /nfs/dbraw/zinc/56/10/61/546561061.db2.gz XPSVYARBOHWZCR-SNVBAGLBSA-N 0 0 322.352 3.124 10 30 DGEERN C=CCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(C)c(C)cc21 ZINC000350741093 546621332 /nfs/dbraw/zinc/62/13/32/546621332.db2.gz KJKFJEKSZCKNDP-MRXNPFEDSA-N 0 0 324.428 3.279 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000355889843 546686826 /nfs/dbraw/zinc/68/68/26/546686826.db2.gz KFWKSBGHSNKEHI-LLVKDONJSA-N 0 0 308.325 3.329 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cscc1Br ZINC000417605741 546801337 /nfs/dbraw/zinc/80/13/37/546801337.db2.gz CEUFIQFVCAIJPO-SECBINFHSA-N 0 0 304.209 3.020 10 30 DGEERN C=C[C@]1(C)CC[C@H](C(=C)C)C2=C1C(=O)C(OC)=C(OC)C2=O ZINC000000899235 560179369 /nfs/dbraw/zinc/17/93/69/560179369.db2.gz OXNJGMNJOVOFOW-ADLMAVQZSA-N 0 0 302.370 3.118 10 30 in-vitro DGEERN COc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O ZINC000004685881 560199619 /nfs/dbraw/zinc/19/96/19/560199619.db2.gz VCNDHJFYRZQMHX-KPKJPENVSA-N 0 0 312.321 3.068 10 30 in-vitro DGEERN C#CCOc1cccc(COC(=O)COc2ccc(CC)cc2)c1 ZINC000730405049 574528863 /nfs/dbraw/zinc/52/88/63/574528863.db2.gz PWBWRRGKQRTCAZ-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1cccc(COC(=O)CCc2ccc(OC)cc2)c1 ZINC000730405229 574528867 /nfs/dbraw/zinc/52/88/67/574528867.db2.gz RCVDULWMEUBVML-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)c2cc(C)nn2CC)cc1 ZINC000730426652 574529017 /nfs/dbraw/zinc/52/90/17/574529017.db2.gz BHIBWUAKZQRPQG-CQSZACIVSA-N 0 0 312.369 3.141 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)CCOCC(C)C)cc1 ZINC000730431009 574529126 /nfs/dbraw/zinc/52/91/26/574529126.db2.gz UPMPDIZPKKQVBU-HNNXBMFYSA-N 0 0 304.386 3.366 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000730705462 574534428 /nfs/dbraw/zinc/53/44/28/574534428.db2.gz ZAGNZNAOCCPTOR-MFKMUULPSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccccc1CNCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000730818366 574536770 /nfs/dbraw/zinc/53/67/70/574536770.db2.gz QBPRHUYIDFYCFB-IRXDYDNUSA-N 0 0 300.446 3.051 10 30 DGEERN C/C(=C\C(=O)Nc1cc(C)nn1CCC#N)c1cccc(F)c1 ZINC000731981927 574564016 /nfs/dbraw/zinc/56/40/16/574564016.db2.gz IISJZZVTHYMTCG-FMIVXFBMSA-N 0 0 312.348 3.286 10 30 DGEERN C=CCn1c2ccccc2n(CN(C)Cc2cc[nH]n2)c1=S ZINC000732665689 574577920 /nfs/dbraw/zinc/57/79/20/574577920.db2.gz OZUPXRZRVHUKJE-UHFFFAOYSA-N 0 0 313.430 3.171 10 30 DGEERN C#CCCNC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 ZINC000733246262 574609744 /nfs/dbraw/zinc/60/97/44/574609744.db2.gz KNQHXSKWPATTAG-MRXNPFEDSA-N 0 0 307.393 3.184 10 30 DGEERN C#CCCNC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC000733246261 574609766 /nfs/dbraw/zinc/60/97/66/574609766.db2.gz KNQHXSKWPATTAG-INIZCTEOSA-N 0 0 307.393 3.184 10 30 DGEERN C#CCCNC(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000733248114 574610111 /nfs/dbraw/zinc/61/01/11/574610111.db2.gz YVSHIMQVHUXTFS-UHFFFAOYSA-N 0 0 317.186 3.059 10 30 DGEERN C#CCCNC(=O)c1ccccc1C(=O)c1cc(C)ccc1C ZINC000733288024 574612949 /nfs/dbraw/zinc/61/29/49/574612949.db2.gz ZNCQXCHFCBEDCC-UHFFFAOYSA-N 0 0 305.377 3.288 10 30 DGEERN C#CCCNC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000733335229 574616656 /nfs/dbraw/zinc/61/66/56/574616656.db2.gz OTEYVDMTHYOZMH-UHFFFAOYSA-N 0 0 300.446 3.466 10 30 DGEERN C#CCN1CCC[C@H]1c1ccccc1I ZINC000733795589 574639542 /nfs/dbraw/zinc/63/95/42/574639542.db2.gz QAZVHPIFKQAJHI-ZDUSSCGKSA-N 0 0 311.166 3.061 10 30 DGEERN C=C(COC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)OCC ZINC000734026846 574647371 /nfs/dbraw/zinc/64/73/71/574647371.db2.gz BFGKMTBYBCYWHB-UHFFFAOYSA-N 0 0 321.131 3.409 10 30 DGEERN C=C(COC(=O)C1(c2cccc(Cl)c2)CC1)C(=O)OCC ZINC000734026385 574647383 /nfs/dbraw/zinc/64/73/83/574647383.db2.gz DALIYVMJIXVZAE-UHFFFAOYSA-N 0 0 308.761 3.034 10 30 DGEERN C=C(COC(=O)c1cc(Cl)sc1Cl)C(=O)OCC ZINC000734026921 574647453 /nfs/dbraw/zinc/64/74/53/574647453.db2.gz FJJUFDPEABUCCN-UHFFFAOYSA-N 0 0 309.170 3.331 10 30 DGEERN C=C(COC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)OCC ZINC000734029523 574647565 /nfs/dbraw/zinc/64/75/65/574647565.db2.gz VQBPRBVOJQVIKD-UHFFFAOYSA-N 0 0 307.733 3.097 10 30 DGEERN C=C(COC(=O)/C=C(\C)c1ccccc1Cl)C(=O)OCC ZINC000734030432 574647856 /nfs/dbraw/zinc/64/78/56/574647856.db2.gz VHABNJMYDJCJLU-PKNBQFBNSA-N 0 0 308.761 3.406 10 30 DGEERN C=C(COC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)OCC ZINC000734030366 574647918 /nfs/dbraw/zinc/64/79/18/574647918.db2.gz RPADVKNTJLABFU-UHFFFAOYSA-N 0 0 321.760 3.026 10 30 DGEERN C=C(COC(=O)CSc1ccc(Cl)cc1)C(=O)OCC ZINC000734025290 574648315 /nfs/dbraw/zinc/64/83/15/574648315.db2.gz JQOCBYCNQBBPSG-UHFFFAOYSA-N 0 0 314.790 3.095 10 30 DGEERN C=C(COC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)OCC ZINC000734022319 574648319 /nfs/dbraw/zinc/64/83/19/574648319.db2.gz CTJSXRNHUXMNBZ-UHFFFAOYSA-N 0 0 316.353 3.255 10 30 DGEERN C=C(COC(=O)[C@@H](c1ccccc1)[C@H](C)CC)C(=O)OCC ZINC000734022849 574648394 /nfs/dbraw/zinc/64/83/94/574648394.db2.gz KSXAXUWMWOCWGK-CZUORRHYSA-N 0 0 304.386 3.479 10 30 DGEERN C#CCOc1ccccc1CNC(=S)Nc1ccccc1C#N ZINC000734097307 574650927 /nfs/dbraw/zinc/65/09/27/574650927.db2.gz GSFFDLMKMHYJBG-UHFFFAOYSA-N 0 0 321.405 3.057 10 30 DGEERN C#CCOc1ccccc1CNC(=S)Nc1ccc(F)cc1 ZINC000734097559 574651097 /nfs/dbraw/zinc/65/10/97/574651097.db2.gz PXFXSWGHRZMLKZ-UHFFFAOYSA-N 0 0 314.385 3.324 10 30 DGEERN CC1(C(=O)OCc2cc(Cl)ccc2OCC#N)CCOCC1 ZINC000735350538 574699287 /nfs/dbraw/zinc/69/92/87/574699287.db2.gz XIFJGGGQNSBSJY-UHFFFAOYSA-N 0 0 323.776 3.102 10 30 DGEERN C=C(Cl)CNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000736242571 574737255 /nfs/dbraw/zinc/73/72/55/574737255.db2.gz NNOLRZSWHZFMDH-UHFFFAOYSA-N 0 0 320.776 3.152 10 30 DGEERN C=CCCCN(C)C(=S)NCCCN(C)c1ccccc1 ZINC000736450328 574754190 /nfs/dbraw/zinc/75/41/90/574754190.db2.gz QOQMIDNNILRHQY-UHFFFAOYSA-N 0 0 305.491 3.285 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)CC/C=C/c1ccccc1 ZINC000737520331 574848589 /nfs/dbraw/zinc/84/85/89/574848589.db2.gz TZTIEZVAFCLALJ-XYOKQWHBSA-N 0 0 301.386 3.058 10 30 DGEERN C=CCCCCCN(C)Cn1nnn(-c2ccccc2)c1=S ZINC000739887575 574914738 /nfs/dbraw/zinc/91/47/38/574914738.db2.gz UUFDXNOYXIEYSJ-UHFFFAOYSA-N 0 0 317.462 3.434 10 30 DGEERN C=C(COC(=O)[C@@H](Cc1ccccc1)C(C)C)C(=O)OCC ZINC000740263096 574930005 /nfs/dbraw/zinc/93/00/05/574930005.db2.gz LYTREGLEIKJOHX-INIZCTEOSA-N 0 0 304.386 3.164 10 30 DGEERN C=CC[C@H](NC(=O)NC[C@](C)(O)CCC(C)C)c1ccncc1 ZINC000741089100 574951048 /nfs/dbraw/zinc/95/10/48/574951048.db2.gz KYOQZNYMGGYOAM-FUHWJXTLSA-N 0 0 319.449 3.185 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)CN(C)c1ccccc1 ZINC000741174468 574953060 /nfs/dbraw/zinc/95/30/60/574953060.db2.gz OTSGVAAOOJMUPJ-UHFFFAOYSA-N 0 0 311.381 3.466 10 30 DGEERN C=C(C)CNC(=S)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000741870888 574974380 /nfs/dbraw/zinc/97/43/80/574974380.db2.gz UQZXOHUZMGWLMP-GPANFISMSA-N 0 0 310.507 3.497 10 30 DGEERN C=CCOc1ccc(OC(=O)c2ccc(C(=O)OC)s2)cc1 ZINC000742860898 575022492 /nfs/dbraw/zinc/02/24/92/575022492.db2.gz OSUMVSZDVCUMRS-UHFFFAOYSA-N 0 0 318.350 3.319 10 30 DGEERN C#Cc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cn1 ZINC000742967754 575026265 /nfs/dbraw/zinc/02/62/65/575026265.db2.gz LMUHIPPOXCLBMA-UHFFFAOYSA-N 0 0 313.360 3.055 10 30 DGEERN COc1cc(C)cc2c1OC/C(=C/c1cnn3ccccc13)C2=O ZINC000729643901 575258206 /nfs/dbraw/zinc/25/82/06/575258206.db2.gz KJJBXQYZXBQAGK-ZROIWOOFSA-N 0 0 320.348 3.310 10 30 DGEERN Cc1ccc(NC(=S)NN=Cc2cnn3ccccc23)cc1C ZINC000729632622 575258373 /nfs/dbraw/zinc/25/83/73/575258373.db2.gz DXEJJXNPCIZNTH-UHFFFAOYSA-N 0 0 323.425 3.272 10 30 DGEERN CC(=NOCc1cccc(Br)c1)c1cnn(C)c1 ZINC000725794116 575914704 /nfs/dbraw/zinc/91/47/04/575914704.db2.gz KGPCLLMOWABTBI-UHFFFAOYSA-N 0 0 308.179 3.123 10 30 DGEERN C(=Nn1cnnc1-c1ccccc1)c1ccc(N2CCCCC2)o1 ZINC000725856500 575933879 /nfs/dbraw/zinc/93/38/79/575933879.db2.gz UDWULYMNHIQRHU-UHFFFAOYSA-N 0 0 321.384 3.411 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC000726080926 576006153 /nfs/dbraw/zinc/00/61/53/576006153.db2.gz UKDZDTWEZQUABR-UHFFFAOYSA-N 0 0 307.353 3.205 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccncc1 ZINC000726384418 576020116 /nfs/dbraw/zinc/02/01/16/576020116.db2.gz DRXWHHLIYCTPTH-QGZVFWFLSA-N 0 0 310.353 3.100 10 30 DGEERN C#CCCCOC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000727040948 576096983 /nfs/dbraw/zinc/09/69/83/576096983.db2.gz MTGASZIQNLPKDR-UHFFFAOYSA-N 0 0 315.300 3.241 10 30 DGEERN Cc1cc(CN=Nc2ccc(C)cn2)c(C)n1C[C@H]1CCCO1 ZINC000727260466 576116850 /nfs/dbraw/zinc/11/68/50/576116850.db2.gz WEVJVTACFZPKLY-QGZVFWFLSA-N 0 0 312.417 3.433 10 30 DGEERN CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SC ZINC000728766879 576199563 /nfs/dbraw/zinc/19/95/63/576199563.db2.gz OFZYDIDWYPBLRL-RISCZKNCSA-N 0 0 318.442 3.210 10 30 DGEERN C#Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)cn1 ZINC000728806259 576207010 /nfs/dbraw/zinc/20/70/10/576207010.db2.gz VVJMJJWPESMOFB-IBGZPJMESA-N 0 0 314.344 3.404 10 30 DGEERN C#Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)nc1 ZINC000728859975 576220875 /nfs/dbraw/zinc/22/08/75/576220875.db2.gz JNXKOTUPRINIPL-QGZVFWFLSA-N 0 0 308.356 3.049 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1OC ZINC000154181966 620645677 /nfs/dbraw/zinc/64/56/77/620645677.db2.gz VAKUURCHOFQZKI-HNNXBMFYSA-N 0 0 303.358 3.355 10 30 DGEERN C#CCCCCNC(=O)c1c[nH]c2cccc(Br)c21 ZINC000154223289 620649911 /nfs/dbraw/zinc/64/99/11/620649911.db2.gz WOAGOQFILJOFBK-UHFFFAOYSA-N 0 0 319.202 3.464 10 30 DGEERN C#C[C@@H](OC(=O)CCC(=O)c1ccc(OCCC)cc1)C1CC1 ZINC000152728852 618003022 /nfs/dbraw/zinc/00/30/22/618003022.db2.gz QKSFTNFRSIZLKA-GOSISDBHSA-N 0 0 314.381 3.393 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)CCc1ccccc1O ZINC000155153415 620775430 /nfs/dbraw/zinc/77/54/30/620775430.db2.gz LVBGYJAKQRAVPJ-UHFFFAOYSA-N 0 0 313.328 3.115 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCc1ccc(F)cc1 ZINC000111992651 620778842 /nfs/dbraw/zinc/77/88/42/620778842.db2.gz PRXQSOVFHDDLMN-ZDUSSCGKSA-N 0 0 313.328 3.251 10 30 DGEERN C=CCOC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000144151391 619065921 /nfs/dbraw/zinc/06/59/21/619065921.db2.gz FIOQDJOMFHNOGC-HNNXBMFYSA-N 0 0 319.401 3.242 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1Cc1ccccc1 ZINC000152191862 620496946 /nfs/dbraw/zinc/49/69/46/620496946.db2.gz VHSXBHOLRQITCB-UHFFFAOYSA-N 0 0 318.380 3.104 10 30 DGEERN C#C[C@@H](OC(=O)[C@H](C)Oc1cccc(Br)c1)C1CC1 ZINC000152399003 620504462 /nfs/dbraw/zinc/50/44/62/620504462.db2.gz KDZAYUVKXOOPPX-IINYFYTJSA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@@H](OC(=O)C1(c2ccc(Br)cc2)CC1)C1CC1 ZINC000152420128 620506370 /nfs/dbraw/zinc/50/63/70/620506370.db2.gz RJOXTDOJIWDUMF-CQSZACIVSA-N 0 0 319.198 3.436 10 30 DGEERN C#Cc1cccc(NCC(=O)N(CC(C)C)CC(F)(F)F)c1 ZINC000152909547 620528427 /nfs/dbraw/zinc/52/84/27/620528427.db2.gz AWXZZVOJZWUJAK-UHFFFAOYSA-N 0 0 312.335 3.127 10 30 DGEERN COCc1cccc(C(=O)OC[C@@H](C#N)Cc2cccs2)c1 ZINC000153294776 620547050 /nfs/dbraw/zinc/54/70/50/620547050.db2.gz IOPSZOVCMDQEDI-CQSZACIVSA-N 0 0 315.394 3.434 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000153299060 620547829 /nfs/dbraw/zinc/54/78/29/620547829.db2.gz UGUYYRNIEOEBFW-HUUCEWRRSA-N 0 0 321.417 3.121 10 30 DGEERN C#CC[C@@H](OC(=O)CCOCc1ccccc1)c1ccccn1 ZINC000113662274 620935040 /nfs/dbraw/zinc/93/50/40/620935040.db2.gz NHKWVCWDLUYSLQ-GOSISDBHSA-N 0 0 309.365 3.296 10 30 DGEERN C#CC[C@H](OC(=O)CO[C@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000113662983 620935084 /nfs/dbraw/zinc/93/50/84/620935084.db2.gz BOIKFNXBSJHWIC-XIRDDKMYSA-N 0 0 301.386 3.285 10 30 DGEERN C#CC[C@H](OC(=O)CCOCc1ccccc1)c1ccccn1 ZINC000113662271 620935223 /nfs/dbraw/zinc/93/52/23/620935223.db2.gz NHKWVCWDLUYSLQ-SFHVURJKSA-N 0 0 309.365 3.296 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)CC#N)cc1OC ZINC000113696280 620941693 /nfs/dbraw/zinc/94/16/93/620941693.db2.gz KZINNDLRUSKABU-CFNZNRNTSA-N 0 0 301.342 3.119 10 30 DGEERN C=CCc1ccccc1OC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000102967318 621207432 /nfs/dbraw/zinc/20/74/32/621207432.db2.gz WJCOKBMJSLXPML-UHFFFAOYSA-N 0 0 309.365 3.336 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000103027643 621223115 /nfs/dbraw/zinc/22/31/15/621223115.db2.gz CDXUMHAXXZWENI-OAHLLOKOSA-N 0 0 318.376 3.360 10 30 DGEERN C#Cc1cccc(N(CC)CC(=O)Nc2ccccc2OC)c1 ZINC000103145985 621265519 /nfs/dbraw/zinc/26/55/19/621265519.db2.gz HWDGBOIKNUBMQB-UHFFFAOYSA-N 0 0 308.381 3.142 10 30 DGEERN Cc1cc(NCc2cnc3ccc(C#N)cn23)ccc1N(C)C ZINC000120192024 621802074 /nfs/dbraw/zinc/80/20/74/621802074.db2.gz NYXHNDMAWMOGKO-UHFFFAOYSA-N 0 0 305.385 3.193 10 30 DGEERN C#CC[C@@H](OC(=O)CC1CCC(OC)CC1)c1ccccn1 ZINC000123503194 622553283 /nfs/dbraw/zinc/55/32/83/622553283.db2.gz LCHXVRFWOQBDSW-VMBOVVBDSA-N 0 0 301.386 3.285 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1-c1cccc(F)c1 ZINC000124021754 622879560 /nfs/dbraw/zinc/87/95/60/622879560.db2.gz ASPWDJBONXKHFW-UHFFFAOYSA-N 0 0 322.343 3.184 10 30 DGEERN COc1cccc(C#CCOC(=O)c2ccc(F)c(F)c2)c1 ZINC000124515522 623135547 /nfs/dbraw/zinc/13/55/47/623135547.db2.gz UYKAGEWLSBDGKY-UHFFFAOYSA-N 0 0 302.276 3.182 10 30 DGEERN C=CCCS(=O)(=O)Oc1ccc(C2SCCS2)cc1 ZINC000129513405 625665934 /nfs/dbraw/zinc/66/59/34/625665934.db2.gz HALZIIYDUAFRLO-UHFFFAOYSA-N 0 0 316.469 3.450 10 30 DGEERN C=CCOc1ccccc1C(=O)OCCc1c(C)nn(C)c1C ZINC000127100488 624271922 /nfs/dbraw/zinc/27/19/22/624271922.db2.gz UQUARCVJVWLMNF-UHFFFAOYSA-N 0 0 314.385 3.001 10 30 DGEERN C#CCOc1ccccc1OC(=O)/C=C/c1ccnc(Cl)c1 ZINC000130982542 625927131 /nfs/dbraw/zinc/92/71/31/625927131.db2.gz RBUSSIDAJGLJCV-BQYQJAHWSA-N 0 0 313.740 3.366 10 30 DGEERN N#Cc1cccc(OS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000130977634 625927153 /nfs/dbraw/zinc/92/71/53/625927153.db2.gz CLOFJFLBFVLRTP-UHFFFAOYSA-N 0 0 311.721 3.118 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000132431433 626718760 /nfs/dbraw/zinc/71/87/60/626718760.db2.gz ZSLYKVVOQVPFSG-YESZJQIVSA-N 0 0 311.381 3.371 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000132430964 626718825 /nfs/dbraw/zinc/71/88/25/626718825.db2.gz ZSLYKVVOQVPFSG-IXDOHACOSA-N 0 0 311.381 3.371 10 30 DGEERN CC(C)OC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000133445676 626788061 /nfs/dbraw/zinc/78/80/61/626788061.db2.gz KRRUJOVKZLUIFN-CQSZACIVSA-N 0 0 311.381 3.222 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000134139605 626859328 /nfs/dbraw/zinc/85/93/28/626859328.db2.gz OBNQVACPMSORQA-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN CC(=O)CCN(C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000135181737 626914983 /nfs/dbraw/zinc/91/49/83/626914983.db2.gz RTEJQMGRCDQKNG-UHFFFAOYSA-N 0 0 322.364 3.402 10 30 DGEERN C=C(C)COCCNC(=O)Nc1ccnn1C1CCCCC1 ZINC000137287766 627116431 /nfs/dbraw/zinc/11/64/31/627116431.db2.gz NPIUBKKKTVSMOK-UHFFFAOYSA-N 0 0 306.410 3.103 10 30 DGEERN CCC(CC)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000102145774 629957426 /nfs/dbraw/zinc/95/74/26/629957426.db2.gz AUABPTHSDJMTHJ-UHFFFAOYSA-N 0 0 312.369 3.465 10 30 DGEERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000121603081 630704426 /nfs/dbraw/zinc/70/44/26/630704426.db2.gz OOQSDUJJBBCUPP-YOEHRIQHSA-N 0 0 317.385 3.067 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccn1 ZINC000105549570 630736240 /nfs/dbraw/zinc/73/62/40/630736240.db2.gz AJSRKWVVWTVLGA-KSSFIOAISA-N 0 0 320.348 3.028 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccn1 ZINC000105549576 630736398 /nfs/dbraw/zinc/73/63/98/630736398.db2.gz AJSRKWVVWTVLGA-RDTXWAMCSA-N 0 0 320.348 3.028 10 30 DGEERN C#CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)cc1 ZINC000108185794 631823326 /nfs/dbraw/zinc/82/33/26/631823326.db2.gz ASJYHUPTMQKQCV-MOPGFXCFSA-N 0 0 321.376 3.449 10 30 DGEERN C#CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000108188428 631823559 /nfs/dbraw/zinc/82/35/59/631823559.db2.gz HJIWJEIAHNTERR-UHFFFAOYSA-N 0 0 316.338 3.229 10 30 DGEERN C#CCC(C)(C)COC(=O)c1cncn1-c1ccc(F)cc1 ZINC000185362932 660218472 /nfs/dbraw/zinc/21/84/72/660218472.db2.gz XNIRSZAAIGZENZ-UHFFFAOYSA-N 0 0 300.333 3.218 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000180167385 659953756 /nfs/dbraw/zinc/95/37/56/659953756.db2.gz JCVDZLVOEFUERD-KBPBESRZSA-N 0 0 305.374 3.199 10 30 DGEERN C=CCOCCCC(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000185845587 660248330 /nfs/dbraw/zinc/24/83/30/660248330.db2.gz RWFCINWBDSPSMH-FUHWJXTLSA-N 0 0 304.386 3.290 10 30 DGEERN C#C[C@@H](C)NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000185993620 660259283 /nfs/dbraw/zinc/25/92/83/660259283.db2.gz FBKHETYUDRNNLG-QMTHXVAHSA-N 0 0 310.319 3.477 10 30 DGEERN C#CC[C@@H](OC(=O)COc1c(C)cccc1C)c1ccccn1 ZINC000073294356 660261377 /nfs/dbraw/zinc/26/13/77/660261377.db2.gz DMFRXIWPGBKRHX-QGZVFWFLSA-N 0 0 309.365 3.385 10 30 DGEERN C#C[C@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000700594634 660630169 /nfs/dbraw/zinc/63/01/69/660630169.db2.gz BLPWAVYXMKLZBZ-GXSJLCMTSA-N 0 0 300.185 3.289 10 30 DGEERN C#CCN(C(=O)c1cc(O)cc(Br)c1)C1CCCC1 ZINC000700703977 660632203 /nfs/dbraw/zinc/63/22/03/660632203.db2.gz WFMLNEKFCZNNOO-UHFFFAOYSA-N 0 0 322.202 3.173 10 30 DGEERN Cc1ccc(/C=C\C(=O)N[C@H](C#N)C(C)C)c(Br)c1 ZINC000701310819 660662603 /nfs/dbraw/zinc/66/26/03/660662603.db2.gz NHYHELHVWLUCQR-LMVHVUTASA-N 0 0 321.218 3.435 10 30 DGEERN N#CC1CCN(c2nc3cc(Br)ccc3o2)CC1 ZINC000705916552 660841071 /nfs/dbraw/zinc/84/10/71/660841071.db2.gz DGXVWWRFYSIFSH-UHFFFAOYSA-N 0 0 306.163 3.330 10 30 DGEERN N#CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(Br)o2)C1 ZINC000706014439 660842604 /nfs/dbraw/zinc/84/26/04/660842604.db2.gz BRWDNQFGFHULPB-QZPNVGJNSA-N 0 0 323.190 3.208 10 30 DGEERN N#Cc1cc(Br)ccc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000711524316 660956794 /nfs/dbraw/zinc/95/67/94/660956794.db2.gz FLUMYOLPSHJBSQ-PHIMTYICSA-N 0 0 309.232 3.120 10 30 DGEERN C#CCN(C1CCCCC1)S(=O)(=O)c1cc(C)sc1C ZINC000049443399 655523764 /nfs/dbraw/zinc/52/37/64/655523764.db2.gz ZRORXKCFOGJTBD-UHFFFAOYSA-N 0 0 311.472 3.322 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)NCc1cscn1 ZINC000187090342 655540789 /nfs/dbraw/zinc/54/07/89/655540789.db2.gz ZKBCWHKYWPAPAJ-UHFFFAOYSA-N 0 0 317.414 3.363 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(OC)cc(OC)c1 ZINC000187501706 655550391 /nfs/dbraw/zinc/55/03/91/655550391.db2.gz UYOIUXPUOIRZBO-KRWDZBQOSA-N 0 0 308.374 3.089 10 30 DGEERN C=C[C@H](C)OC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000187633622 655554363 /nfs/dbraw/zinc/55/43/63/655554363.db2.gz HNRBPUMREFYRAQ-NSHDSACASA-N 0 0 302.349 3.288 10 30 DGEERN N#Cc1ccc(F)c(CN2CCS[C@H](C(F)(F)F)C2)c1 ZINC000721443221 655649102 /nfs/dbraw/zinc/64/91/02/655649102.db2.gz WGQBVSGUHJJXMT-LBPRGKRZSA-N 0 0 304.312 3.177 10 30 DGEERN C#CCN(C(=O)c1cscc1Br)C(C)(C)C ZINC000723025050 655653212 /nfs/dbraw/zinc/65/32/12/655653212.db2.gz VNRFZYQLOWCPKE-UHFFFAOYSA-N 0 0 300.221 3.385 10 30 DGEERN N#CCc1ccc(CN2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000721450958 655655835 /nfs/dbraw/zinc/65/58/35/655655835.db2.gz RCZARPASEXMQSA-ZDUSSCGKSA-N 0 0 300.349 3.232 10 30 DGEERN COC(=O)c1ccc(/C=C2/CCOc3ccc(C)cc3C2=O)o1 ZINC000255231884 655667048 /nfs/dbraw/zinc/66/70/48/655667048.db2.gz LBJIVPRRJPQDIO-BENRWUELSA-N 0 0 312.321 3.423 10 30 DGEERN COc1cccc(/C=N/[C@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000157150192 655689362 /nfs/dbraw/zinc/68/93/62/655689362.db2.gz KKRLMBDWYGPAEU-KZKLBEMASA-N 0 0 322.368 3.162 10 30 DGEERN Cc1ccccc1C(=O)/C=C\c1cnc(N2CCOCC2)s1 ZINC000255558448 655799731 /nfs/dbraw/zinc/79/97/31/655799731.db2.gz VSIMNYWJGPWPIA-SREVYHEPSA-N 0 0 314.410 3.184 10 30 DGEERN C#Cc1cccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255567279 655803798 /nfs/dbraw/zinc/80/37/98/655803798.db2.gz FWJCVYOSRVWVLL-KHPPLWFESA-N 0 0 301.342 3.220 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000176643124 655809695 /nfs/dbraw/zinc/80/96/95/655809695.db2.gz YGGSOUJAASGGRU-NVXWUHKLSA-N 0 0 323.371 3.300 10 30 DGEERN C#Cc1cccc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)c1 ZINC000155736543 655810484 /nfs/dbraw/zinc/81/04/84/655810484.db2.gz ABRKBOFOSTWMBF-DOTOQJQBSA-N 0 0 300.402 3.121 10 30 DGEERN C#CCOc1ccccc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000188131652 655841274 /nfs/dbraw/zinc/84/12/74/655841274.db2.gz NMNNFILDHQNCPW-GOSISDBHSA-N 0 0 318.417 3.007 10 30 DGEERN COc1ccc(O)c(/C=N\[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000255720645 655891682 /nfs/dbraw/zinc/89/16/82/655891682.db2.gz GDLHZPUXLALJGD-XHEYCZLTSA-N 0 0 313.353 3.352 10 30 DGEERN CCOc1ccc(O)c(C=Nc2ccccc2CC(=O)OC)c1 ZINC000255862654 655916652 /nfs/dbraw/zinc/91/66/52/655916652.db2.gz HBKGVDQMHDXLLS-UHFFFAOYSA-N 0 0 313.353 3.257 10 30 DGEERN COCc1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)o1 ZINC000177894902 655949074 /nfs/dbraw/zinc/94/90/74/655949074.db2.gz AIFBQEGDNYKUCD-UHFFFAOYSA-N 0 0 304.729 3.288 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000180157837 655956455 /nfs/dbraw/zinc/95/64/55/655956455.db2.gz LUWNKFNRXSPTQC-QILLFSRXSA-N 0 0 315.413 3.494 10 30 DGEERN C#CCCCCC(=O)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000180751680 655968889 /nfs/dbraw/zinc/96/88/89/655968889.db2.gz QMVDZCIRFGMLHT-AWEZNQCLSA-N 0 0 309.406 3.123 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1cnc(-c2ccncc2)s1 ZINC000184914577 656121993 /nfs/dbraw/zinc/12/19/93/656121993.db2.gz DLPXMLOFOIEINS-GFCCVEGCSA-N 0 0 301.371 3.300 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000188035037 656143305 /nfs/dbraw/zinc/14/33/05/656143305.db2.gz CIFWYLPHPBUDNW-NSHDSACASA-N 0 0 316.235 3.463 10 30 DGEERN C#CCCCC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000190643466 656164748 /nfs/dbraw/zinc/16/47/48/656164748.db2.gz QDLSFADSVDHMGO-ZDUSSCGKSA-N 0 0 305.246 3.488 10 30 DGEERN C#CC[C@H](COC)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000716961809 661236357 /nfs/dbraw/zinc/23/63/57/661236357.db2.gz GWWFSRVYYMZQOA-GOSISDBHSA-N 0 0 323.392 3.034 10 30 DGEERN Cn1cc(Br)cc1C(=O)OCC(C)(C)CCC#N ZINC000195055331 656208515 /nfs/dbraw/zinc/20/85/15/656208515.db2.gz XHSOETFVMLNBIW-UHFFFAOYSA-N 0 0 313.195 3.274 10 30 DGEERN CCCCCCCS(=O)(=O)N[C@H](CC)c1nccs1 ZINC000195276873 656211502 /nfs/dbraw/zinc/21/15/02/656211502.db2.gz VMACFPLIUWRGTE-GFCCVEGCSA-N 0 0 304.481 3.484 10 30 DGEERN C[C@H](NCc1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000181752020 656269516 /nfs/dbraw/zinc/26/95/16/656269516.db2.gz XOLPUIGMCQQUPP-LBPRGKRZSA-N 0 0 312.344 3.319 10 30 DGEERN C#CCN(C(=O)NCCCOC1CCCCC1)C1CCCC1 ZINC000162850114 656422769 /nfs/dbraw/zinc/42/27/69/656422769.db2.gz UHFWFRIBILVCSM-UHFFFAOYSA-N 0 0 306.450 3.313 10 30 DGEERN C#CCCCNC(=O)C(=O)Nc1c(CC=C)cccc1C(C)C ZINC000187833338 656970788 /nfs/dbraw/zinc/97/07/88/656970788.db2.gz XSJLKFOOVAHYJI-UHFFFAOYSA-N 0 0 312.413 3.007 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc2ccccc2oc1=O ZINC000191120663 657370374 /nfs/dbraw/zinc/37/03/74/657370374.db2.gz IJJHOOVSAVTXQS-SFHVURJKSA-N 0 0 316.353 3.179 10 30 DGEERN C=CCN(CCOC)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192900890 657382000 /nfs/dbraw/zinc/38/20/00/657382000.db2.gz QSJYNBCQKAQCEG-UHFFFAOYSA-N 0 0 319.735 3.129 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@H](C)CCn2cccn2)cc1 ZINC000183876957 657382819 /nfs/dbraw/zinc/38/28/19/657382819.db2.gz LIZQSDAAAZTDIA-CQSZACIVSA-N 0 0 300.358 3.084 10 30 DGEERN C#Cc1cccc(N(C(=O)c2cc(C(=O)OC)co2)C(C)C)c1 ZINC000184679361 657387284 /nfs/dbraw/zinc/38/72/84/657387284.db2.gz BTUPSMHLEICXKZ-UHFFFAOYSA-N 0 0 311.337 3.103 10 30 DGEERN C#CCCCCCOC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000185341308 657395468 /nfs/dbraw/zinc/39/54/68/657395468.db2.gz CKBZSOYOUQOXCD-UHFFFAOYSA-N 0 0 304.434 3.435 10 30 DGEERN Cc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)s1 ZINC000120943511 657408010 /nfs/dbraw/zinc/40/80/10/657408010.db2.gz FEKPWDIFDFTTBY-CYBMUJFWSA-N 0 0 309.394 3.362 10 30 DGEERN COc1cccc2c1OC/C(=C/c1csc([N+](=O)[O-])c1)C2=O ZINC000098125453 657912430 /nfs/dbraw/zinc/91/24/30/657912430.db2.gz GCKOLOJMSOUBFE-YHYXMXQVSA-N 0 0 317.322 3.324 10 30 DGEERN C[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCCO1 ZINC000720616303 658018581 /nfs/dbraw/zinc/01/85/81/658018581.db2.gz KIEQVLVUDXGBIF-NOZJJQNGSA-N 0 0 323.190 3.074 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)OC[C@@H]2C[C@@H]2C)cc1OC ZINC000261435237 658402473 /nfs/dbraw/zinc/40/24/73/658402473.db2.gz NDCIIMDIKPDSAC-CSIFZYERSA-N 0 0 302.370 3.472 10 30 DGEERN C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1OC)C1CCCC1 ZINC000163655589 658893522 /nfs/dbraw/zinc/89/35/22/658893522.db2.gz IXTBFQQVXBKARD-CYBMUJFWSA-N 0 0 318.392 3.483 10 30 DGEERN C#CCN(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CCCC1 ZINC000163898137 658906993 /nfs/dbraw/zinc/90/69/93/658906993.db2.gz HBGUIPRQZOFJRW-UHFFFAOYSA-N 0 0 311.360 3.029 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000163987088 658910980 /nfs/dbraw/zinc/91/09/80/658910980.db2.gz PSWNXJXOOVVNQF-HUUCEWRRSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCCC1 ZINC000164012178 658912268 /nfs/dbraw/zinc/91/22/68/658912268.db2.gz RCQOLKDIFJPFFN-UHFFFAOYSA-N 0 0 311.360 3.234 10 30 DGEERN C#CCN(C(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000164035382 658913119 /nfs/dbraw/zinc/91/31/19/658913119.db2.gz DOSAYNYOZMCMBQ-UHFFFAOYSA-N 0 0 306.203 3.467 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)[C@H](C)C1CCOCC1 ZINC000165051493 658964908 /nfs/dbraw/zinc/96/49/08/658964908.db2.gz UIMXSCFSDGKQRU-CYBMUJFWSA-N 0 0 304.386 3.392 10 30 DGEERN C#CCOCCC(=O)O[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000166885854 659061229 /nfs/dbraw/zinc/06/12/29/659061229.db2.gz APUCGPFQXOEWFR-QWHCGFSZSA-N 0 0 317.410 3.371 10 30 DGEERN CCOc1cccc(/C=N/[C@@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000158158603 659146479 /nfs/dbraw/zinc/14/64/79/659146479.db2.gz LRDCAEGIKLUEJZ-MKFNJMOCSA-N 0 0 315.417 3.191 10 30 DGEERN C#CCCCOC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000170714016 659228580 /nfs/dbraw/zinc/22/85/80/659228580.db2.gz KWFBDHMUPZRVHI-UHFFFAOYSA-N 0 0 324.352 3.308 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n1 ZINC000171027542 659255240 /nfs/dbraw/zinc/25/52/40/659255240.db2.gz HNBSFPIBTIOCHV-MRXNPFEDSA-N 0 0 310.401 3.316 10 30 DGEERN Cc1ncccc1/C=C1\CN(C)C/C(=C/c2cccnc2C)C1=O ZINC000171417323 659280145 /nfs/dbraw/zinc/28/01/45/659280145.db2.gz LPCIJJNFHORAMZ-OMYAATJGSA-N 0 0 319.408 3.075 10 30 DGEERN N#C[C@@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777058 659297622 /nfs/dbraw/zinc/29/76/22/659297622.db2.gz GCOMUGTYJZICFX-QAPCUYQASA-N 0 0 324.424 3.264 10 30 DGEERN C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccs1 ZINC000171798084 659299891 /nfs/dbraw/zinc/29/98/91/659299891.db2.gz XAHJLCIJEQXPMA-LBPRGKRZSA-N 0 0 301.367 3.497 10 30 DGEERN N#C[C@H](COC(=O)CCc1cscn1)Cc1ccc(F)cc1 ZINC000172024151 659310497 /nfs/dbraw/zinc/31/04/97/659310497.db2.gz PBIMIUIYENDWBK-CYBMUJFWSA-N 0 0 318.373 3.140 10 30 DGEERN CCOc1cc(C(=O)NCc2ccc(OCC#N)cc2)ccc1C ZINC000172018427 659311028 /nfs/dbraw/zinc/31/10/28/659311028.db2.gz VKABFZPTLMWKJP-UHFFFAOYSA-N 0 0 324.380 3.226 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC000062888680 659352778 /nfs/dbraw/zinc/35/27/78/659352778.db2.gz TUFNKGMSDOPIFY-CMDGGOBGSA-N 0 0 312.325 3.416 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H](C)COCc2ccccc2)cc1 ZINC000172965413 659368313 /nfs/dbraw/zinc/36/83/13/659368313.db2.gz OJDILKIRMWKBRH-MRXNPFEDSA-N 0 0 323.392 3.034 10 30 DGEERN N#C[C@@H](COC(=O)CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000076903734 659371937 /nfs/dbraw/zinc/37/19/37/659371937.db2.gz PSQAKQUMSWXBFN-NSHDSACASA-N 0 0 303.255 3.394 10 30 DGEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)c1cccnc1 ZINC000174021919 659408925 /nfs/dbraw/zinc/40/89/25/659408925.db2.gz DFBZALPUQKMRKE-JTQLQIEISA-N 0 0 316.744 3.324 10 30 DGEERN CC(C)Cn1ccnc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000174454836 659434369 /nfs/dbraw/zinc/43/43/69/659434369.db2.gz IEPMKXDPWHKYGE-OAHLLOKOSA-N 0 0 312.417 3.120 10 30 DGEERN C#Cc1cccc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000232502273 659434691 /nfs/dbraw/zinc/43/46/91/659434691.db2.gz NEHJHGBEEMUQFM-MRXNPFEDSA-N 0 0 300.402 3.479 10 30 DGEERN C#C[C@H](C)OC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000174442694 659435818 /nfs/dbraw/zinc/43/58/18/659435818.db2.gz YZTQSGAXXDMWEN-NSHDSACASA-N 0 0 307.187 3.436 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000089312110 659615322 /nfs/dbraw/zinc/61/53/22/659615322.db2.gz BCEAHXXHJCKKJZ-JTQLQIEISA-N 0 0 309.318 3.124 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000174786305 659656955 /nfs/dbraw/zinc/65/69/55/659656955.db2.gz KZPKUODBRGIYOE-OAHLLOKOSA-N 0 0 308.381 3.395 10 30 DGEERN C=C(C)CCOC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000174795984 659677337 /nfs/dbraw/zinc/67/73/37/659677337.db2.gz DNJFWSUQDSKZDR-WBVHZDCISA-N 0 0 301.386 3.106 10 30 DGEERN C=C(C)CCOC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000174795991 659677373 /nfs/dbraw/zinc/67/73/73/659677373.db2.gz DNJFWSUQDSKZDR-RDJZCZTQSA-N 0 0 301.386 3.106 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000180159205 659953161 /nfs/dbraw/zinc/95/31/61/659953161.db2.gz LJPAAEWUQNWIME-GFCCVEGCSA-N 0 0 310.415 3.164 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000180159190 659953464 /nfs/dbraw/zinc/95/34/64/659953464.db2.gz LJPAAEWUQNWIME-LBPRGKRZSA-N 0 0 310.415 3.164 10 30 DGEERN Cc1cc(C)n2c(CNc3ccccc3O[C@H](C)C#N)cnc2n1 ZINC000181130565 659981988 /nfs/dbraw/zinc/98/19/88/659981988.db2.gz CFIYQMALBNXVSU-CQSZACIVSA-N 0 0 321.384 3.249 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC000181207966 659986949 /nfs/dbraw/zinc/98/69/49/659986949.db2.gz HGHADXYQQDSNNI-ZDUSSCGKSA-N 0 0 314.385 3.174 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000181213531 659987207 /nfs/dbraw/zinc/98/72/07/659987207.db2.gz BMFFBZLJIYFNMC-JTQLQIEISA-N 0 0 309.318 3.124 10 30 DGEERN C=C[C@@H](CC)OC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000181236388 659988818 /nfs/dbraw/zinc/98/88/18/659988818.db2.gz UYCWIBCMSXVLNF-QFBILLFUSA-N 0 0 315.413 3.437 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000069837200 660024525 /nfs/dbraw/zinc/02/45/25/660024525.db2.gz AVJOZYHJDADQGP-HNNXBMFYSA-N 0 0 313.397 3.112 10 30 DGEERN N#C[C@H](C(=O)CCCOCCc1ccccc1)c1ccccn1 ZINC000069952415 660031229 /nfs/dbraw/zinc/03/12/29/660031229.db2.gz ZKUNEGNPCSNHSS-KRWDZBQOSA-N 0 0 308.381 3.297 10 30 DGEERN COCc1ccsc1C(=O)Nc1ccc(F)cc1OCC#N ZINC000182413617 660052123 /nfs/dbraw/zinc/05/21/23/660052123.db2.gz WDDGEMPTKWSDFV-UHFFFAOYSA-N 0 0 320.345 3.188 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(C)(C)C#N ZINC000183695560 660131098 /nfs/dbraw/zinc/13/10/98/660131098.db2.gz IICYECIZRMDCBI-LMMOQWNQSA-N 0 0 302.330 3.480 10 30 DGEERN CCc1cnccc1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000183733319 660133592 /nfs/dbraw/zinc/13/35/92/660133592.db2.gz WQGMXOVKGNLJQY-GFCCVEGCSA-N 0 0 300.383 3.245 10 30 DGEERN COc1ccc(OCCCC(=O)OCC2(C#N)CCCC2)cc1 ZINC000183854481 660144105 /nfs/dbraw/zinc/14/41/05/660144105.db2.gz OZCWGDJPZOIXLU-UHFFFAOYSA-N 0 0 317.385 3.481 10 30 DGEERN N#CC1(COC(=O)Cc2ccc(OC(F)F)cc2)CCCC1 ZINC000183878316 660145444 /nfs/dbraw/zinc/14/54/44/660145444.db2.gz OPWGPMDTYLXTOF-UHFFFAOYSA-N 0 0 309.312 3.458 10 30 DGEERN COc1ccc2nc(C(=O)OCC3(C#N)CCCC3)ccc2c1 ZINC000183904344 660146441 /nfs/dbraw/zinc/14/64/41/660146441.db2.gz DCZBINRGIDKWCB-UHFFFAOYSA-N 0 0 310.353 3.484 10 30 DGEERN CC#CCCCCOC(=O)c1cnn(-c2ccccn2)c1CC ZINC000183934529 660148595 /nfs/dbraw/zinc/14/85/95/660148595.db2.gz SXANDLJRSZNNSH-UHFFFAOYSA-N 0 0 311.385 3.180 10 30 DGEERN C=CCOc1ccc(C(=O)OCc2cncs2)cc1OC ZINC000184637434 660178169 /nfs/dbraw/zinc/17/81/69/660178169.db2.gz ZINYALDKIDOSKN-UHFFFAOYSA-N 0 0 305.355 3.074 10 30 DGEERN C#Cc1cccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000155736312 661851472 /nfs/dbraw/zinc/85/14/72/661851472.db2.gz ABRKBOFOSTWMBF-RDJZCZTQSA-N 0 0 300.402 3.121 10 30 DGEERN CCC[C@H](CC)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000157391777 661867321 /nfs/dbraw/zinc/86/73/21/661867321.db2.gz CVVJZSKTFCYZMB-HNNXBMFYSA-N 0 0 305.422 3.468 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cncc(OC(C)C)c1 ZINC000187555215 661886813 /nfs/dbraw/zinc/88/68/13/661886813.db2.gz VOKYHWGPUXIBHH-KRWDZBQOSA-N 0 0 307.390 3.254 10 30 DGEERN C#CC[C@H](OC(=O)CCCc1nc(C2CC2)no1)C(C)(C)C ZINC000159839317 661896056 /nfs/dbraw/zinc/89/60/56/661896056.db2.gz ZRTRRTLYYMCDCK-ZDUSSCGKSA-N 0 0 304.390 3.251 10 30 DGEERN CCn1cc(C(=O)/C=C/c2c(Cl)nc3sccn23)cn1 ZINC000049274860 661900358 /nfs/dbraw/zinc/90/03/58/661900358.db2.gz PEJPEFQTLHVQKB-ONEGZZNKSA-N 0 0 306.778 3.162 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000188058855 661912818 /nfs/dbraw/zinc/91/28/18/661912818.db2.gz UVDFHYMNPIPBDT-HOCLYGCPSA-N 0 0 303.358 3.093 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@@H](CC)CC#N)c(OC)c1 ZINC000188055715 661913026 /nfs/dbraw/zinc/91/30/26/661913026.db2.gz SCVFZESLQNDFKQ-AWEZNQCLSA-N 0 0 303.358 3.038 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000188110516 661916156 /nfs/dbraw/zinc/91/61/56/661916156.db2.gz CINFVGLGQSQCBG-GOEBONIOSA-N 0 0 303.358 3.093 10 30 DGEERN C#CCCCCC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000188300159 661924713 /nfs/dbraw/zinc/92/47/13/661924713.db2.gz ZJXZDWDFCHUZRY-GJZGRUSLSA-N 0 0 322.449 3.084 10 30 DGEERN C=CC[C@@]1(C(=O)NCCC2CC2)CCCN1C(=O)OC(C)(C)C ZINC000188347826 661926857 /nfs/dbraw/zinc/92/68/57/661926857.db2.gz MFWQQPFVCHFHRH-SFHVURJKSA-N 0 0 322.449 3.249 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000188955786 661955982 /nfs/dbraw/zinc/95/59/82/661955982.db2.gz GBOINYQTCUWTHP-HUUCEWRRSA-N 0 0 323.433 3.225 10 30 DGEERN N#CC1(COC(=O)CC2CCC3(CC2)OCCO3)CCCCC1 ZINC000190834168 662046710 /nfs/dbraw/zinc/04/67/10/662046710.db2.gz JFKYMKVSSNOVPI-UHFFFAOYSA-N 0 0 321.417 3.327 10 30 DGEERN Cc1cc(C)c(CC(=O)OCC2(C#N)CCOCC2)c(C)c1 ZINC000190878791 662048180 /nfs/dbraw/zinc/04/81/80/662048180.db2.gz RQAMHSPBOINUCO-UHFFFAOYSA-N 0 0 301.386 3.018 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(C(F)(F)F)nc1 ZINC000191093270 662053839 /nfs/dbraw/zinc/05/38/39/662053839.db2.gz ZTYIVCOQMWESLA-AWEZNQCLSA-N 0 0 317.307 3.486 10 30 DGEERN N#Cc1ccc2ncc(/C=C3\Cc4cc(F)ccc4C3=O)n2c1 ZINC000078162632 662054331 /nfs/dbraw/zinc/05/43/31/662054331.db2.gz PJNBDQAGNLFMFE-NTUHNPAUSA-N 0 0 303.296 3.167 10 30 DGEERN CCOC1CC(CC(=O)OC[C@@H](C#N)Cc2ccccc2)C1 ZINC000191184153 662056428 /nfs/dbraw/zinc/05/64/28/662056428.db2.gz OKXHHGWFZXJABU-AQFXKWCLSA-N 0 0 301.386 3.117 10 30 DGEERN COc1ccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2)cc1C#N ZINC000078755081 662083683 /nfs/dbraw/zinc/08/36/83/662083683.db2.gz RWINDNJYIHKGMB-OAHLLOKOSA-N 0 0 313.744 3.074 10 30 DGEERN C#CCC(C)(C)COC(=O)CCOCC(F)(F)C(F)(F)F ZINC000192281327 662094144 /nfs/dbraw/zinc/09/41/44/662094144.db2.gz DSGLYKIDIRONDE-UHFFFAOYSA-N 0 0 316.266 3.183 10 30 DGEERN C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000079178428 662102520 /nfs/dbraw/zinc/10/25/20/662102520.db2.gz IJJUCTSAXYLEFK-GOEBONIOSA-N 0 0 317.385 3.076 10 30 DGEERN C#CC[C@H](OC(=O)CCCOc1cccc(C(C)=O)c1)C1CC1 ZINC000079204470 662103591 /nfs/dbraw/zinc/10/35/91/662103591.db2.gz GDEIAJRUIURMBI-SFHVURJKSA-N 0 0 314.381 3.393 10 30 DGEERN C#CC[C@@H](OC(=O)CCCOc1cccc(C(C)=O)c1)C1CC1 ZINC000079204481 662103670 /nfs/dbraw/zinc/10/36/70/662103670.db2.gz GDEIAJRUIURMBI-GOSISDBHSA-N 0 0 314.381 3.393 10 30 DGEERN C#CC[C@@H](OC(=O)CCCOc1ccc(OC)cc1)C1CC1 ZINC000079204988 662103674 /nfs/dbraw/zinc/10/36/74/662103674.db2.gz LRXJWBYZRKIQMS-QGZVFWFLSA-N 0 0 302.370 3.199 10 30 DGEERN COCc1cccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000079220642 662104663 /nfs/dbraw/zinc/10/46/63/662104663.db2.gz KNYOSDHMHBWCBY-KRWDZBQOSA-N 0 0 309.365 3.372 10 30 DGEERN COCc1cccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000079220645 662104702 /nfs/dbraw/zinc/10/47/02/662104702.db2.gz KNYOSDHMHBWCBY-QGZVFWFLSA-N 0 0 309.365 3.372 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc2ncccc21 ZINC000192627018 662106596 /nfs/dbraw/zinc/10/65/96/662106596.db2.gz IMMRASLCOYYUCM-ZDUSSCGKSA-N 0 0 318.332 3.479 10 30 DGEERN C[C@H](O)c1nc2ccccc2n1CCCOc1cccc(C#N)c1 ZINC000192834793 662112418 /nfs/dbraw/zinc/11/24/18/662112418.db2.gz AHJWVFDCGKEQNU-AWEZNQCLSA-N 0 0 321.380 3.430 10 30 DGEERN C=CCc1cc(C(=O)OC[C@@H]2C[C@@H]2OCC)cc(OC)c1OC ZINC000193127305 662123480 /nfs/dbraw/zinc/12/34/80/662123480.db2.gz MCISCTYMZYYRTM-GJZGRUSLSA-N 0 0 320.385 3.014 10 30 DGEERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C#Cc1ccccc1 ZINC000080636937 662149376 /nfs/dbraw/zinc/14/93/76/662149376.db2.gz FOMGIEBDZLAWCT-LJQANCHMSA-N 0 0 319.404 3.417 10 30 DGEERN C[C@H](CNc1cc(C#N)c2ccccc2n1)CC1(C)OCCO1 ZINC000080694241 662151312 /nfs/dbraw/zinc/15/13/12/662151312.db2.gz ZFVXYTJZIOSOHW-ZDUSSCGKSA-N 0 0 311.385 3.308 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCOC[C@H]2C)c1 ZINC000194284684 662162581 /nfs/dbraw/zinc/16/25/81/662162581.db2.gz SZSNWMPVWMJBKP-DNVCBOLYSA-N 0 0 323.392 3.467 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1csc([C@H]2CCCO2)n1 ZINC000195047354 662176947 /nfs/dbraw/zinc/17/69/47/662176947.db2.gz ISSBPIUVQRCADR-GFCCVEGCSA-N 0 0 308.403 3.481 10 30 DGEERN Oc1ccccc1/C=N/[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000086961045 662221629 /nfs/dbraw/zinc/22/16/29/662221629.db2.gz AXQZMNPDYLGUFY-RNDVCUHJSA-N 0 0 302.324 3.368 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccc(F)cc1F)Cc1ccccc1 ZINC000088818326 662235734 /nfs/dbraw/zinc/23/57/34/662235734.db2.gz LXRLNNXTLQIUFX-AWEZNQCLSA-N 0 0 315.319 3.433 10 30 DGEERN COCc1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)o1 ZINC000089294228 662240978 /nfs/dbraw/zinc/24/09/78/662240978.db2.gz SLIMTOJLAUQOKM-NSHDSACASA-N 0 0 305.355 3.027 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000089319469 662241886 /nfs/dbraw/zinc/24/18/86/662241886.db2.gz DZDGTTYFMFQWFA-NVXWUHKLSA-N 0 0 315.413 3.437 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000089319896 662241920 /nfs/dbraw/zinc/24/19/20/662241920.db2.gz QWSCGYIWUBBULT-WBVHZDCISA-N 0 0 315.413 3.384 10 30 DGEERN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246519707 662263378 /nfs/dbraw/zinc/26/33/78/662263378.db2.gz HQZWIWOBFPEJTR-ULQDDVLXSA-N 0 0 316.445 3.361 10 30 DGEERN CCOc1cccc(/C=N/CCCc2c(C)nn(C)c2C)c1O ZINC000091515530 662305308 /nfs/dbraw/zinc/30/53/08/662305308.db2.gz MVCNVNYWWLRDGG-XDHOZWIPSA-N 0 0 315.417 3.193 10 30 DGEERN C#CCN(Cc1cnc2nc(C)cc(C)n12)Cc1ccc(F)cc1 ZINC000092541591 662332600 /nfs/dbraw/zinc/33/26/00/662332600.db2.gz OOTJJZAYEZWFHF-UHFFFAOYSA-N 0 0 322.387 3.121 10 30 DGEERN N#C[C@@H](COC(=O)Cc1cccs1)Cc1ccc(F)cc1 ZINC000065501262 685055980 /nfs/dbraw/zinc/05/59/80/685055980.db2.gz KSVZKFFOWSQYRD-ZDUSSCGKSA-N 0 0 303.358 3.355 10 30 DGEERN CC(C)(C#N)COC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000180091034 685111523 /nfs/dbraw/zinc/11/15/23/685111523.db2.gz HSXAIXDJFXAUMX-UHFFFAOYSA-N 0 0 301.264 3.221 10 30 DGEERN CCCCCCCCNS(=O)(=O)c1ccc(C#N)s1 ZINC000230344027 1176573984 /nfs/dbraw/zinc/57/39/84/1176573984.db2.gz IQEFDVHPQACSEZ-UHFFFAOYSA-N 0 0 300.449 3.259 10 30 DGEERN CN(c1cc(Br)ccc1C#N)[C@@H]1CCCC[C@H]1O ZINC000252934144 1176610603 /nfs/dbraw/zinc/61/06/03/1176610603.db2.gz WGPCJGNPSOYDFA-TZMCWYRMSA-N 0 0 309.207 3.060 10 30 DGEERN CCOCCCNc1ccc(C#N)c(Br)c1F ZINC000231843647 1176813379 /nfs/dbraw/zinc/81/33/79/1176813379.db2.gz LOJOZJXPCGFVCV-UHFFFAOYSA-N 0 0 301.159 3.298 10 30 DGEERN N#Cc1ccc(NCCOC(F)(F)F)cc1Br ZINC000310178328 1177237310 /nfs/dbraw/zinc/23/73/10/1177237310.db2.gz SAWRXQZQMSQBMT-UHFFFAOYSA-N 0 0 309.085 3.269 10 30 DGEERN CCCCCC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000094989247 1198820209 /nfs/dbraw/zinc/82/02/09/1198820209.db2.gz WKOSCTWQPZKSSQ-UHFFFAOYSA-N 0 0 308.447 3.443 10 30 DGEERN C=C(C)CONC(=O)c1ccc(Cl)c(Br)c1 ZINC000400963840 1199377254 /nfs/dbraw/zinc/37/72/54/1199377254.db2.gz ASIRHPAVRBIINC-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)c2ccc(Br)nc2)c1 ZINC000308130656 1199702039 /nfs/dbraw/zinc/70/20/39/1199702039.db2.gz IQFBJAHAWBXBEB-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C=CCOc1cccc(CNc2ccc(C)c(-n3cnnn3)c2)c1 ZINC000119353228 1200059040 /nfs/dbraw/zinc/05/90/40/1200059040.db2.gz ZZQHDGYBQPDHHR-UHFFFAOYSA-N 0 0 321.384 3.148 10 30 DGEERN C=CCN(CC=C)C(=O)c1sc(NC(=O)C2CC2)cc1C ZINC000122272407 1200267089 /nfs/dbraw/zinc/26/70/89/1200267089.db2.gz HBMNNRMREJDKQA-UHFFFAOYSA-N 0 0 304.415 3.219 10 30 DGEERN N#Cc1ccc(Br)cc1NCCCn1cccn1 ZINC000123403733 1200277770 /nfs/dbraw/zinc/27/77/70/1200277770.db2.gz LWOSOKXYXFMAIG-UHFFFAOYSA-N 0 0 305.179 3.019 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@H]1CCCC[C@@H]1O ZINC000123308262 1200278378 /nfs/dbraw/zinc/27/83/78/1200278378.db2.gz DSPMMZINKRDTBE-RISCZKNCSA-N 0 0 309.207 3.284 10 30 DGEERN CCCCCCCn1cccc(I)c1=O ZINC000124128835 1200318609 /nfs/dbraw/zinc/31/86/09/1200318609.db2.gz NVGPGJSKOSMCSV-UHFFFAOYSA-N 0 0 319.186 3.423 10 30 DGEERN CO[C@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 ZINC000234781159 1202603715 /nfs/dbraw/zinc/60/37/15/1202603715.db2.gz VUIZGOBDFGIZIV-ZJUUUORDSA-N 0 0 313.170 3.439 10 30 DGEERN C[C@@H](O)[C@@H](C)Sc1ccc(C#N)c(Br)c1F ZINC000235322269 1202604344 /nfs/dbraw/zinc/60/43/44/1202604344.db2.gz LWLYWQJEBFDCQV-RNFRBKRXSA-N 0 0 304.184 3.321 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cncc(Br)c1 ZINC000189618039 1203274680 /nfs/dbraw/zinc/27/46/80/1203274680.db2.gz LYGOHWNSTKYXMH-CYBMUJFWSA-N 0 0 313.195 3.011 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 ZINC000246345573 1203731116 /nfs/dbraw/zinc/73/11/16/1203731116.db2.gz HFPZGSXZKFKWGF-MPTQWLOMSA-N 0 0 312.369 3.130 10 30 DGEERN COc1ccc(/C(C)=C\C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000254974070 1203833670 /nfs/dbraw/zinc/83/36/70/1203833670.db2.gz FTRCACBXZYHWSI-KAMYIIQDSA-N 0 0 306.365 3.287 10 30 DGEERN C=CCC[C@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000178742239 1204294254 /nfs/dbraw/zinc/29/42/54/1204294254.db2.gz LVDAWVFGRRJKDH-INIZCTEOSA-N 0 0 320.396 3.255 10 30 DGEERN Cn1c(CON=Cc2ccc(Cl)cc2)nnc1C1CCC1 ZINC000588423678 1082220118 /nfs/dbraw/zinc/22/01/18/1082220118.db2.gz OQZHKIGMJHOLTO-UHFFFAOYSA-N 0 0 304.781 3.287 10 30 DGEERN Cc1cccnc1/C=C\C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000588456640 1082333757 /nfs/dbraw/zinc/33/37/57/1082333757.db2.gz JGGZPFQEOMUKPY-DOOKAGJSSA-N 0 0 306.365 3.329 10 30 DGEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C=Cc2ncccc2C)c1 ZINC000588456889 1082335080 /nfs/dbraw/zinc/33/50/80/1082335080.db2.gz ZKEYLLXCBSYTSW-QWGSZXSUSA-N 0 0 319.364 3.059 10 30 DGEERN C=C[C@](C)(CC)C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000588556966 1082623422 /nfs/dbraw/zinc/62/34/22/1082623422.db2.gz VWUIXPQQEUIBOR-SXAWMYDMSA-N 0 0 318.369 3.389 10 30 DGEERN Cn1c(=O)sc2cc(/C=C3\Cc4cc(O)ccc4C3=O)ccc21 ZINC000588599044 1082839042 /nfs/dbraw/zinc/83/90/42/1082839042.db2.gz NNNYHBXVBSRMNQ-WUXMJOGZSA-N 0 0 323.373 3.128 10 30 DGEERN O=C1c2ccc(Br)cc2OC/C1=C/c1cocn1 ZINC000588580082 1083194342 /nfs/dbraw/zinc/19/43/42/1083194342.db2.gz CDCPZDMKVVUGDS-BAQGIRSFSA-N 0 0 306.115 3.096 10 30 DGEERN C#CCN(CC(=O)Nc1ccc(SC)cc1)C1CCCC1 ZINC000176385348 1087717795 /nfs/dbraw/zinc/71/77/95/1087717795.db2.gz BOXKKRBAVHAESF-UHFFFAOYSA-N 0 0 302.443 3.225 10 30 DGEERN COc1cccc(C#CCOC(=O)c2ccc(SC)o2)c1 ZINC000176607134 1088188322 /nfs/dbraw/zinc/18/83/22/1088188322.db2.gz MGQDVOBVBNJSHE-UHFFFAOYSA-N 0 0 302.351 3.219 10 30 DGEERN N#Cc1ccc(Br)cc1N[C@@H]1CCCC12OCCO2 ZINC000715908815 1091039439 /nfs/dbraw/zinc/03/94/39/1091039439.db2.gz MSXBYSHVVFVJJS-CYBMUJFWSA-N 0 0 323.190 3.028 10 30 DGEERN C=CCOc1ccc(CNc2cnn(CC(F)F)c2)cc1OC ZINC000090190349 1092690708 /nfs/dbraw/zinc/69/07/08/1092690708.db2.gz FHBYPUXYNBXAFQ-UHFFFAOYSA-N 0 0 323.343 3.334 10 30 DGEERN N#Cc1cc(Br)cnc1NCCc1ccsc1 ZINC000310419534 1094927064 /nfs/dbraw/zinc/92/70/64/1094927064.db2.gz YRCAIOBEPSOMMF-UHFFFAOYSA-N 0 0 308.204 3.432 10 30 DGEERN C[C@H](O)C[C@H](C)Nc1ccc(C#N)c(Br)c1F ZINC000231847985 1095809227 /nfs/dbraw/zinc/80/92/27/1095809227.db2.gz NMBZRUGEXVCISC-YUMQZZPRSA-N 0 0 301.159 3.031 10 30 DGEERN N#Cc1cncc(CNc2cc(Br)ccc2C#N)c1 ZINC000721561346 1097633718 /nfs/dbraw/zinc/63/37/18/1097633718.db2.gz PZLOUBZVZUYBFO-UHFFFAOYSA-N 0 0 313.158 3.200 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1cc(C)c(Br)s1 ZINC000081728648 1101861287 /nfs/dbraw/zinc/86/12/87/1101861287.db2.gz SCDJTYNPDQYYRZ-MRVPVSSYSA-N 0 0 301.209 3.241 10 30 DGEERN C=CC(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000385191858 1108348047 /nfs/dbraw/zinc/34/80/47/1108348047.db2.gz OPDQAAUVQBAQHL-UHFFFAOYSA-N 0 0 300.156 3.376 10 30 DGEERN COc1ccc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)C3CC3)c2c1 ZINC000129154322 432001833 /nfs/dbraw/zinc/00/18/33/432001833.db2.gz UZHVBISRALIWAS-SFHVURJKSA-N 0 0 321.380 3.153 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000278324345 214090920 /nfs/dbraw/zinc/09/09/20/214090920.db2.gz KEZHRJSILWYZHR-CGTJXYLNSA-N 0 0 317.404 3.198 10 30 DGEERN CCOC(=O)C(C)=NNc1ccc(Br)cc1CC ZINC000095804002 185384186 /nfs/dbraw/zinc/38/41/86/185384186.db2.gz ZZDAIKANEXJABP-DHDCSXOGSA-N 0 0 313.195 3.362 10 30 DGEERN CC[C@@]1(CO)CCCN1C(=O)NCc1ccc(C2CC2)cc1 ZINC000330056640 529555456 /nfs/dbraw/zinc/55/54/56/529555456.db2.gz WFDPZCYDGDEHHI-SFHVURJKSA-N 0 0 302.418 3.215 10 30 DGEERN Cc1cnc(CCN(C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000165656049 197679688 /nfs/dbraw/zinc/67/96/88/197679688.db2.gz RLJCIDULCWXVBF-UHFFFAOYSA-N 0 0 300.387 3.030 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000088421504 185249509 /nfs/dbraw/zinc/24/95/09/185249509.db2.gz KLJAJDHADHINHA-UHFFFAOYSA-N 0 0 302.353 3.441 10 30 DGEERN N#Cc1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(C#N)cc2)cc1 ZINC000096940256 185393182 /nfs/dbraw/zinc/39/31/82/185393182.db2.gz MHFCEJVKNRKUNY-UHFFFAOYSA-N 0 0 313.316 3.158 10 30 DGEERN CCc1csc([C@@H]2CCCN(C(=O)NCCCCC#N)C2)n1 ZINC000172263302 529692455 /nfs/dbraw/zinc/69/24/55/529692455.db2.gz YQVUJHGQDCIURJ-CYBMUJFWSA-N 0 0 320.462 3.288 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000129523887 432006582 /nfs/dbraw/zinc/00/65/82/432006582.db2.gz XOFHDHRZTZJTNU-INIZCTEOSA-N 0 0 306.381 3.095 10 30 DGEERN N#Cc1c(N)cccc1S(=O)(=O)c1cccc2ccccc21 ZINC000012354034 190636631 /nfs/dbraw/zinc/63/66/31/190636631.db2.gz BMSIRAVUGDDUKN-UHFFFAOYSA-N 0 0 308.362 3.126 10 30 in-vivo DGEERN CN(C)c1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182515280 529782065 /nfs/dbraw/zinc/78/20/65/529782065.db2.gz IFIGCPYOPLTVFO-UHFFFAOYSA-N 0 0 319.408 3.238 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)[C@]3(C)CCCNC3=O)cc2o1 ZINC000330323485 282316810 /nfs/dbraw/zinc/31/68/10/282316810.db2.gz SWWJLMMQSUFRBA-MRXNPFEDSA-N 0 0 316.361 3.238 10 30 DGEERN Cc1sc(C(=O)N(CCC#N)CCC(C)C)cc1[N+](=O)[O-] ZINC000103440302 432009972 /nfs/dbraw/zinc/00/99/72/432009972.db2.gz WXYROZMKLUOZDW-UHFFFAOYSA-N 0 0 309.391 3.367 10 30 DGEERN CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103542708 432011643 /nfs/dbraw/zinc/01/16/43/432011643.db2.gz WUXJRZYSKWYAEV-UHFFFAOYSA-N 0 0 306.124 3.408 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc2c(c1)CCCC2 ZINC000115009622 185656128 /nfs/dbraw/zinc/65/61/28/185656128.db2.gz GLSJWJMVQMHVMM-ZDUSSCGKSA-N 0 0 305.381 3.323 10 30 DGEERN Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000408230758 229622862 /nfs/dbraw/zinc/62/28/62/229622862.db2.gz DEKWOHDKWNDBRP-AAEUAGOBSA-N 0 0 321.218 3.488 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000155883488 186120000 /nfs/dbraw/zinc/12/00/00/186120000.db2.gz NRNAOBIWDXMTAQ-QGZVFWFLSA-N 0 0 324.380 3.281 10 30 DGEERN C=C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000265135033 186335362 /nfs/dbraw/zinc/33/53/62/186335362.db2.gz SUYDOMBRZJUOOP-UHFFFAOYSA-N 0 0 300.221 3.232 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000171548997 197940133 /nfs/dbraw/zinc/94/01/33/197940133.db2.gz QLOQNGZWZZLDPC-UHFFFAOYSA-N 0 0 308.378 3.142 10 30 DGEERN C=CC[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000277250131 213394542 /nfs/dbraw/zinc/39/45/42/213394542.db2.gz JTWBBZIRLGPGKH-LLVKDONJSA-N 0 0 307.699 3.478 10 30 DGEERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1F ZINC000302776917 186746283 /nfs/dbraw/zinc/74/62/83/186746283.db2.gz PDPLQUXEQSQBIV-SNVBAGLBSA-N 0 0 300.293 3.482 10 30 DGEERN C#CCCCC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000277215876 213371897 /nfs/dbraw/zinc/37/18/97/213371897.db2.gz LAERCXKLOLUIJL-CQSZACIVSA-N 0 0 306.203 3.356 10 30 DGEERN C#CCOc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000172728872 198142372 /nfs/dbraw/zinc/14/23/72/198142372.db2.gz ZPWVRFKKJQJYBF-ZDUSSCGKSA-N 0 0 311.303 3.113 10 30 DGEERN C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccnc1 ZINC000173867872 198261807 /nfs/dbraw/zinc/26/18/07/198261807.db2.gz VWURYUJVTKCFSN-AWEZNQCLSA-N 0 0 305.381 3.248 10 30 DGEERN COc1ccc(N(C(=O)c2ccc(C#N)cn2)[C@@H](C)C2CC2)cc1 ZINC000107468174 432032558 /nfs/dbraw/zinc/03/25/58/432032558.db2.gz QGQVNPPTZBCAEQ-ZDUSSCGKSA-N 0 0 321.380 3.407 10 30 DGEERN CC(C)c1nnc(CSCCOc2cccc(C#N)c2)n1C ZINC000182350806 199423681 /nfs/dbraw/zinc/42/36/81/199423681.db2.gz GFNPUISIVWYJMH-UHFFFAOYSA-N 0 0 316.430 3.122 10 30 DGEERN Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)s1 ZINC000179080582 432038886 /nfs/dbraw/zinc/03/88/86/432038886.db2.gz PNKHEQXMZVSVHJ-UHFFFAOYSA-N 0 0 311.410 3.436 10 30 DGEERN C=C[C@@H]1CC[C@H](O)[C@@H](N(C)C(=S)Nc2ccccc2C)C1 ZINC000004644926 181131742 /nfs/dbraw/zinc/13/17/42/181131742.db2.gz PUUAMWUOMHYSEZ-KBMXLJTQSA-N 0 0 304.459 3.339 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000073361309 191308418 /nfs/dbraw/zinc/30/84/18/191308418.db2.gz LVZSNPLDXFNGBT-UHFFFAOYSA-N 0 0 321.380 3.112 10 30 DGEERN COc1ccc2nc(C(=O)Nc3ccccc3C#N)ccc2c1 ZINC000073695082 191342397 /nfs/dbraw/zinc/34/23/97/191342397.db2.gz PIIMHDFDTTVZJN-UHFFFAOYSA-N 0 0 303.321 3.367 10 30 DGEERN N#Cc1cc(N2CCC[C@]3(CC=CCC3)C2)cc(N)c1[N+](=O)[O-] ZINC000408106803 283104354 /nfs/dbraw/zinc/10/43/54/283104354.db2.gz ZNEVDPMQVFZKPC-QGZVFWFLSA-N 0 0 312.373 3.375 10 30 DGEERN O=[N+]([O-])c1oc2ccccc2c1NNc1ccccc1Cl ZINC000005258482 181223129 /nfs/dbraw/zinc/22/31/29/181223129.db2.gz WXCGYNAHQZHEDP-DLRWLJPMSA-N 0 0 303.705 3.151 10 30 DGEERN COc1ccc(C(C)N=Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000005370609 181235262 /nfs/dbraw/zinc/23/52/62/181235262.db2.gz JMXPKGQBNOZJNF-GZTJUZNOSA-N 0 0 315.329 3.448 10 30 DGEERN C/C(=N/NC(=S)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005494418 181249286 /nfs/dbraw/zinc/24/92/86/181249286.db2.gz YUVWABRKWDOLSD-BOPFTXTBSA-N 0 0 314.370 3.305 10 30 DGEERN COc1ccc([C@H]2CC(=O)C=C(NCC(C)C)C2)cc1OC ZINC000005632881 181265913 /nfs/dbraw/zinc/26/59/13/181265913.db2.gz OWGQHZXDJYAXNR-CQSZACIVSA-N 0 0 303.402 3.280 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000081587339 192297231 /nfs/dbraw/zinc/29/72/31/192297231.db2.gz MFNZNNHTCXHPDG-UHFFFAOYSA-N 0 0 321.384 3.323 10 30 DGEERN N#Cc1ccc(N[C@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000171731376 283181185 /nfs/dbraw/zinc/18/11/85/283181185.db2.gz PZDWZVXBWKADQJ-AWEZNQCLSA-N 0 0 313.792 3.083 10 30 DGEERN N#Cc1cccc(N2C(=O)N[C@@H](c3ccc(Cl)cc3)C2=O)c1 ZINC000192404468 283207790 /nfs/dbraw/zinc/20/77/90/283207790.db2.gz CZMYILYNKSMEFG-AWEZNQCLSA-N 0 0 311.728 3.009 10 30 DGEERN C=CCCCC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000179663484 432066275 /nfs/dbraw/zinc/06/62/75/432066275.db2.gz GBCDNCSFLZPUJZ-WMLDXEAASA-N 0 0 320.820 3.084 10 30 DGEERN C#CCOc1ccc([C@H](C)N[C@H]2CCCn3nc(CC)nc32)cc1 ZINC000167783868 432066496 /nfs/dbraw/zinc/06/64/96/432066496.db2.gz WTIHYCORYIXSBB-YOEHRIQHSA-N 0 0 324.428 3.038 10 30 DGEERN C=C[C@@H]1CC[C@@H](O)[C@@H](N(C)C(=S)Nc2ccccc2C)C1 ZINC000169682656 432071563 /nfs/dbraw/zinc/07/15/63/432071563.db2.gz PUUAMWUOMHYSEZ-VNQPRFMTSA-N 0 0 304.459 3.339 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2sccc2C#N)C12CCCC2 ZINC000134020774 432072869 /nfs/dbraw/zinc/07/28/69/432072869.db2.gz DXPMGXRFRAOCOZ-KGLIPLIRSA-N 0 0 318.442 3.430 10 30 DGEERN CC[C@H](C)NC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000179514981 199048339 /nfs/dbraw/zinc/04/83/39/199048339.db2.gz CVNOMENYYYPRQI-NWDGAFQWSA-N 0 0 306.431 3.103 10 30 DGEERN C=C(CSc1nc(C(F)(F)F)ccc1C#N)C(=O)OCC ZINC000276628874 213011709 /nfs/dbraw/zinc/01/17/09/213011709.db2.gz NXJZFWXMKFLVHY-UHFFFAOYSA-N 0 0 316.304 3.183 10 30 DGEERN N#Cc1c(N)cccc1[S@](=O)c1ccc(Br)cc1 ZINC000005932922 181298006 /nfs/dbraw/zinc/29/80/06/181298006.db2.gz MTUWDIYVZCDHMK-SFHVURJKSA-N 0 0 321.199 3.070 10 30 DGEERN C[C@H]1OCCC[C@@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000190328164 291197260 /nfs/dbraw/zinc/19/72/60/291197260.db2.gz JXOWQRSRDOSZKX-GBRKPNRJSA-N 0 0 306.450 3.416 10 30 DGEERN COC(=O)CCCCC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000188802487 200304847 /nfs/dbraw/zinc/30/48/47/200304847.db2.gz LPFMUOGJXRFQHU-UHFFFAOYSA-N 0 0 318.373 3.017 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000189145625 200355770 /nfs/dbraw/zinc/35/57/70/200355770.db2.gz LCKIVNNRSUPUQK-ZWKOTPCHSA-N 0 0 324.428 3.192 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000189150194 200357035 /nfs/dbraw/zinc/35/70/35/200357035.db2.gz OXOUQELIDFVDDJ-WMLDXEAASA-N 0 0 303.402 3.025 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)[C@@H](O)C2CCCCC2)cc1 ZINC000189810064 432092598 /nfs/dbraw/zinc/09/25/98/432092598.db2.gz OSDOYMOVRMGRGD-INIZCTEOSA-N 0 0 300.402 3.367 10 30 DGEERN C[C@H]1Oc2ccc(NC(=O)[C@@]3(C)CCCNC3=O)cc2NC1=O ZINC000330219081 291246597 /nfs/dbraw/zinc/24/65/97/291246597.db2.gz JWWYBPNOVDKVRR-ABKXIKBNSA-N 0 0 317.345 3.400 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000435996457 238382229 /nfs/dbraw/zinc/38/22/29/238382229.db2.gz QSXUELFVFWNJCE-QFBILLFUSA-N 0 0 303.365 3.186 10 30 DGEERN Cc1cc(O[C@@H](C)C(=O)Nc2cc(C#N)ccn2)ccc1Cl ZINC000436017358 238383820 /nfs/dbraw/zinc/38/38/20/238383820.db2.gz PDQBRAWXFOOTJI-NSHDSACASA-N 0 0 315.760 3.321 10 30 DGEERN Cc1nc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)cc1C#N ZINC000292731930 223222714 /nfs/dbraw/zinc/22/27/14/223222714.db2.gz UPBVNUVKURADQQ-XJKSGUPXSA-N 0 0 305.809 3.047 10 30 DGEERN C[C@@H]1CC(C(=O)N[C@@](C)(C#N)CCc2ccccc2)C[C@@H](C)O1 ZINC000246101417 432095778 /nfs/dbraw/zinc/09/57/78/432095778.db2.gz JGVFYHAVTAIOLS-SPYBWZPUSA-N 0 0 314.429 3.221 10 30 DGEERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2)c1 ZINC000193802045 201126523 /nfs/dbraw/zinc/12/65/23/201126523.db2.gz VYHUNTKGOVLNIF-MRXNPFEDSA-N 0 0 305.381 3.200 10 30 DGEERN Cn1c2c(nc1[C@H]1CCCN1Cc1ccc(C#N)o1)CCCC2 ZINC000275527303 212393744 /nfs/dbraw/zinc/39/37/44/212393744.db2.gz LOYCLLQVJAXRTF-QGZVFWFLSA-N 0 0 310.401 3.101 10 30 DGEERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(C#N)n1C ZINC000448704042 239853158 /nfs/dbraw/zinc/85/31/58/239853158.db2.gz HSMXSMXYURBBIH-UHFFFAOYSA-N 0 0 324.384 3.052 10 30 DGEERN CCC(C)(C)N(CCC#N)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000189911786 432104779 /nfs/dbraw/zinc/10/47/79/432104779.db2.gz MISHDOFZIILGJY-XJKSGUPXSA-N 0 0 300.402 3.482 10 30 DGEERN C=CCCCC[C@@H](C)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000449291876 240112621 /nfs/dbraw/zinc/11/26/21/240112621.db2.gz ODVOSMIANUNXEN-OAHLLOKOSA-N 0 0 315.461 3.077 10 30 DGEERN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C#N)n1C ZINC000449878769 240461546 /nfs/dbraw/zinc/46/15/46/240461546.db2.gz CGIPSTAEVZQXTG-CQSZACIVSA-N 0 0 315.804 3.301 10 30 DGEERN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C#N)n1C ZINC000449998581 240519996 /nfs/dbraw/zinc/51/99/96/240519996.db2.gz IPNZSCVAYSXJFU-INIZCTEOSA-N 0 0 313.376 3.033 10 30 DGEERN CCCC[C@@H](C)N(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451573289 241176726 /nfs/dbraw/zinc/17/67/26/241176726.db2.gz YGGAWOBYXIBSID-GFCCVEGCSA-N 0 0 312.410 3.038 10 30 DGEERN CCOCc1nc(C)c(C(=O)NCC2CCC(C#N)CC2)s1 ZINC000451448600 241125523 /nfs/dbraw/zinc/12/55/23/241125523.db2.gz WCIXYZHSIJSKEM-UHFFFAOYSA-N 0 0 321.446 3.048 10 30 DGEERN C=CCC1(CNS(=O)(=O)Cc2cccc(OC)c2)CCCC1 ZINC000451953225 241282768 /nfs/dbraw/zinc/28/27/68/241282768.db2.gz RTFYMBPIYLZMSH-UHFFFAOYSA-N 0 0 323.458 3.251 10 30 DGEERN C=CCCS(=O)(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000452021489 241299272 /nfs/dbraw/zinc/29/92/72/241299272.db2.gz JCGXHPNWVOWTBV-UHFFFAOYSA-N 0 0 311.422 3.131 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000080938910 283906141 /nfs/dbraw/zinc/90/61/41/283906141.db2.gz LRCBOWXHALVGSE-UHFFFAOYSA-N 0 0 316.773 3.412 10 30 DGEERN Cc1ccc(CN(C(=O)c2cc(C#N)cn2C)C(C)C)s1 ZINC000081052246 283908955 /nfs/dbraw/zinc/90/89/55/283908955.db2.gz KUVGTJIUMOAKSJ-UHFFFAOYSA-N 0 0 301.415 3.318 10 30 DGEERN CCc1ccc([C@H]2CCN(C(=O)c3ccc(C#N)n3C)C2)cc1 ZINC000452161954 241337035 /nfs/dbraw/zinc/33/70/35/241337035.db2.gz PMLIYNANKDCMJF-INIZCTEOSA-N 0 0 307.397 3.089 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(ccnc2N(C)C)c1 ZINC000452357875 241394968 /nfs/dbraw/zinc/39/49/68/241394968.db2.gz SDHKXCQHDJFFGS-ZDUSSCGKSA-N 0 0 313.401 3.221 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1Cl ZINC000081547287 283920056 /nfs/dbraw/zinc/92/00/56/283920056.db2.gz ZZIPFPBWWPCBPC-VIFPVBQESA-N 0 0 305.740 3.180 10 30 DGEERN C=CC(C)(C)CNC(=O)COc1ccc(/C=C/C)cc1OC ZINC000452777138 241516068 /nfs/dbraw/zinc/51/60/68/241516068.db2.gz MSNDKOUXYNZQLC-SOFGYWHQSA-N 0 0 303.402 3.436 10 30 DGEERN C=C[C@](C)(CCOC)c1nc([C@H](Cc2ccccc2)OC)no1 ZINC000453237931 241683777 /nfs/dbraw/zinc/68/37/77/241683777.db2.gz VNCFIZNTRJZMQD-MAUKXSAKSA-N 0 0 316.401 3.480 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C3CC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465704 241797558 /nfs/dbraw/zinc/79/75/58/241797558.db2.gz MUQQCCAOONREAW-MAUKXSAKSA-N 0 0 316.449 3.116 10 30 DGEERN C=CCCOCCNC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454723420 242019136 /nfs/dbraw/zinc/01/91/36/242019136.db2.gz WYGLCYGAPOCDQQ-OAHLLOKOSA-N 0 0 304.390 3.109 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454723159 242019600 /nfs/dbraw/zinc/01/96/00/242019600.db2.gz WFGKREOXUZTXBB-STQMWFEESA-N 0 0 322.371 3.390 10 30 DGEERN C=CCC1(CNC(=O)NCc2c(C)onc2CC)CCCC1 ZINC000455013599 242086699 /nfs/dbraw/zinc/08/66/99/242086699.db2.gz UAYIJYFEOUZWKE-UHFFFAOYSA-N 0 0 305.422 3.481 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000455051732 242097376 /nfs/dbraw/zinc/09/73/76/242097376.db2.gz SCYLOOXZIMHKGB-VIFPVBQESA-N 0 0 318.751 3.375 10 30 DGEERN C=C(C)CCNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000455318154 242168289 /nfs/dbraw/zinc/16/82/89/242168289.db2.gz YGNIPJRNYIDLIO-XJKSGUPXSA-N 0 0 306.381 3.263 10 30 DGEERN C=CCC1(CNC(=O)NCC2(CF)CCOCC2)CCCC1 ZINC000455377364 242184754 /nfs/dbraw/zinc/18/47/54/242184754.db2.gz DKHIYWKDPCCNDL-UHFFFAOYSA-N 0 0 312.429 3.188 10 30 DGEERN CC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1F ZINC000455416170 242194931 /nfs/dbraw/zinc/19/49/31/242194931.db2.gz GWGVOORWVSYBKF-RYUDHWBXSA-N 0 0 303.337 3.232 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000455420574 242197200 /nfs/dbraw/zinc/19/72/00/242197200.db2.gz LQEKUZHLRUETCL-UHFFFAOYSA-N 0 0 312.295 3.342 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000455519430 242224631 /nfs/dbraw/zinc/22/46/31/242224631.db2.gz IBJGKWHOYJFCQD-AWEZNQCLSA-N 0 0 302.374 3.228 10 30 DGEERN C=C(CC)CNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000455523558 242225074 /nfs/dbraw/zinc/22/50/74/242225074.db2.gz ONHXVPGXCDCFIQ-HNNXBMFYSA-N 0 0 308.809 3.389 10 30 DGEERN COc1ccc(CS[C@@H](C)C(=O)N(C)C(C)C)cc1C#N ZINC000135335542 432113660 /nfs/dbraw/zinc/11/36/60/432113660.db2.gz VBDNYTFSMKBNRE-LBPRGKRZSA-N 0 0 306.431 3.055 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000456765804 242548733 /nfs/dbraw/zinc/54/87/33/242548733.db2.gz HHJWZGQTVCAVLA-CYBMUJFWSA-N 0 0 320.776 3.052 10 30 DGEERN Cc1nnc(CSCc2ccc(F)cc2C#N)n1C1CC1 ZINC000091618013 284002417 /nfs/dbraw/zinc/00/24/17/284002417.db2.gz SYYMCJQRRMYJRF-UHFFFAOYSA-N 0 0 302.378 3.366 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)COCc1cccc(Cl)c1 ZINC000457501336 242785334 /nfs/dbraw/zinc/78/53/34/242785334.db2.gz IYGAYIHAMLHYQA-MRXNPFEDSA-N 0 0 308.809 3.301 10 30 DGEERN C=C(C)[C@@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000458685305 243126389 /nfs/dbraw/zinc/12/63/89/243126389.db2.gz WFSORQRFINNCOK-APHBMKBZSA-N 0 0 324.371 3.042 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458833492 243171793 /nfs/dbraw/zinc/17/17/93/243171793.db2.gz IXKQZNWQNRJOCO-IRXDYDNUSA-N 0 0 315.417 3.048 10 30 DGEERN C=C(CC)CNC(=O)N(CC)[C@H](COC)Cc1ccccc1 ZINC000459082137 243247003 /nfs/dbraw/zinc/24/70/03/243247003.db2.gz RUKHMMXIJMMEBM-KRWDZBQOSA-N 0 0 304.434 3.242 10 30 DGEERN C[C@H](CCCc1cccnc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000459215202 243288024 /nfs/dbraw/zinc/28/80/24/243288024.db2.gz OPFQDDQYTOWSLG-OAHLLOKOSA-N 0 0 314.433 3.128 10 30 DGEERN C=CC[C@@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 ZINC000275140808 212145470 /nfs/dbraw/zinc/14/54/70/212145470.db2.gz MZNUSCSQLIMSAJ-MRXNPFEDSA-N 0 0 310.397 3.380 10 30 DGEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1C ZINC000460564821 243554238 /nfs/dbraw/zinc/55/42/38/243554238.db2.gz GJSCJJZBOZTQQT-LSDHHAIUSA-N 0 0 311.433 3.075 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC=C(C)CC1 ZINC000460810865 243568800 /nfs/dbraw/zinc/56/88/00/243568800.db2.gz FGKQPHOAZJINTD-UHFFFAOYSA-N 0 0 312.417 3.389 10 30 DGEERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000112674577 284094282 /nfs/dbraw/zinc/09/42/82/284094282.db2.gz SJIGFMAUUAGJPU-HOTGVXAUSA-N 0 0 306.431 3.051 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000464440581 243775486 /nfs/dbraw/zinc/77/54/86/243775486.db2.gz XPLPPCIOEJRZFL-CYBMUJFWSA-N 0 0 305.374 3.169 10 30 DGEERN CC[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(=O)OC ZINC000112924814 284098374 /nfs/dbraw/zinc/09/83/74/284098374.db2.gz NGPRPJADTAHIFM-GOSISDBHSA-N 0 0 308.381 3.266 10 30 DGEERN COc1cccc([C@@H]2CN(Cc3cc(C#N)cs3)CCO2)c1 ZINC000093080376 193200332 /nfs/dbraw/zinc/20/03/32/193200332.db2.gz VHPADYRNIHLTSV-KRWDZBQOSA-N 0 0 314.410 3.202 10 30 DGEERN CC#CCNC(=O)c1coc2c1cc(Br)cc2C ZINC000474374339 244391579 /nfs/dbraw/zinc/39/15/79/244391579.db2.gz SHLNEXSBLYYWFD-UHFFFAOYSA-N 0 0 306.159 3.257 10 30 DGEERN N#Cc1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)o1 ZINC000093594219 193271488 /nfs/dbraw/zinc/27/14/88/193271488.db2.gz ISCXDTOWTMWCKQ-AWEZNQCLSA-N 0 0 312.344 3.385 10 30 DGEERN C=CCN(CCc1ccccc1)c1ncncc1Br ZINC000481700330 244772334 /nfs/dbraw/zinc/77/23/34/244772334.db2.gz AWCJRCFZBKVZHO-UHFFFAOYSA-N 0 0 318.218 3.474 10 30 DGEERN C=CCCCS(=O)(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000489056771 245267549 /nfs/dbraw/zinc/26/75/49/245267549.db2.gz YYVSGGVIQJQNOY-INIZCTEOSA-N 0 0 305.399 3.255 10 30 DGEERN N#C[C@H](NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000181340518 432123803 /nfs/dbraw/zinc/12/38/03/432123803.db2.gz XXVOUAGFJJTXQO-LBPRGKRZSA-N 0 0 319.336 3.120 10 30 DGEERN O=C1NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H](c2ccccc2)N1 ZINC000008518755 181561575 /nfs/dbraw/zinc/56/15/75/181561575.db2.gz OXFXBZZURUETJM-HNAYVOBHSA-N 0 0 318.376 3.441 10 30 DGEERN C=CCN(C)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000490052723 245376902 /nfs/dbraw/zinc/37/69/02/245376902.db2.gz HPQPROHIXQGOOU-UHFFFAOYSA-N 0 0 308.428 3.281 10 30 DGEERN CCN(CC#Cc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000191885068 335016219 /nfs/dbraw/zinc/01/62/19/335016219.db2.gz YBCOHOSRYCQUEF-UHFFFAOYSA-N 0 0 322.408 3.007 10 30 DGEERN C=CCCCN(C)C(=O)c1cccnc1OCC(F)(F)F ZINC000265494323 204655359 /nfs/dbraw/zinc/65/53/59/204655359.db2.gz IRLLBDGVJGNUCQ-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1(c2ccccc2F)CC1 ZINC000126720159 284314620 /nfs/dbraw/zinc/31/46/20/284314620.db2.gz JRNVQTXRTIMAEG-CYBMUJFWSA-N 0 0 324.355 3.270 10 30 DGEERN C=C(C)CCSc1nncn1-c1cccc(NC(C)=O)c1 ZINC000274727668 211875038 /nfs/dbraw/zinc/87/50/38/211875038.db2.gz HLXNDCYJVCFDSM-UHFFFAOYSA-N 0 0 302.403 3.284 10 30 DGEERN C=CCCCCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000274677298 211822425 /nfs/dbraw/zinc/82/24/25/211822425.db2.gz JBXDRRRJXYOHSN-SNVBAGLBSA-N 0 0 315.339 3.006 10 30 DGEERN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccco3)S2)c(O)c1 ZINC000016904642 182063510 /nfs/dbraw/zinc/06/35/10/182063510.db2.gz XLIPWBGMHFAJRC-JYRVWZFOSA-N 0 0 300.339 3.185 10 30 DGEERN C[C@@H](Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000019922285 182164393 /nfs/dbraw/zinc/16/43/93/182164393.db2.gz WKAMRDSTSBRJAE-GFCCVEGCSA-N 0 0 300.383 3.135 10 30 DGEERN N/C(=N\O)c1ccccc1Oc1ccc(Br)cc1 ZINC000020076213 182185569 /nfs/dbraw/zinc/18/55/69/182185569.db2.gz UYUXLMXKGAAWFU-UHFFFAOYSA-N 0 0 307.147 3.336 10 30 DGEERN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C#N)cc1C ZINC000130222236 284436664 /nfs/dbraw/zinc/43/66/64/284436664.db2.gz RKGDCPNEGVTNDY-KRWDZBQOSA-N 0 0 306.365 3.293 10 30 DGEERN CCOC(=O)[C@H](C#N)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000021987894 182302565 /nfs/dbraw/zinc/30/25/65/182302565.db2.gz DROCPHQZVGVFJZ-SSDOTTSWSA-N 0 0 303.101 3.072 10 30 DGEERN Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1S(C)(=O)=O ZINC000134905008 284454591 /nfs/dbraw/zinc/45/45/91/284454591.db2.gz LNABVYCCHCPCEI-UHFFFAOYSA-N 0 0 318.373 3.021 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000494509948 246156956 /nfs/dbraw/zinc/15/69/56/246156956.db2.gz VPCXTARDCGRPAJ-JSGCOSHPSA-N 0 0 315.335 3.036 10 30 DGEERN N#Cc1ccc(CNc2cc(Cl)ccc2C(N)=O)cc1F ZINC000190337235 432145558 /nfs/dbraw/zinc/14/55/58/432145558.db2.gz DLOLMORDMJGSIX-UHFFFAOYSA-N 0 0 303.724 3.062 10 30 DGEERN COc1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 ZINC000039754418 183021952 /nfs/dbraw/zinc/02/19/52/183021952.db2.gz AYKLIBRFWVQXDS-YVLHZVERSA-N 0 0 307.305 3.214 10 30 DGEERN C#CCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211723 183045422 /nfs/dbraw/zinc/04/54/22/183045422.db2.gz SYHLLZOAHYFOJD-UHFFFAOYSA-N 0 0 311.429 3.155 10 30 DGEERN C#CCn1c(CCCCCNC(=O)C(=C)C)nc2ccccc21 ZINC000040219731 183047310 /nfs/dbraw/zinc/04/73/10/183047310.db2.gz XEMQKPHPYBFMON-UHFFFAOYSA-N 0 0 309.413 3.075 10 30 DGEERN C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000043329224 183355438 /nfs/dbraw/zinc/35/54/38/183355438.db2.gz OHAMMWDCPBTCOG-NSHDSACASA-N 0 0 309.325 3.170 10 30 DGEERN COc1ccc(CSCc2noc(C3CC3)n2)cc1C#N ZINC000161696189 284718308 /nfs/dbraw/zinc/71/83/08/284718308.db2.gz BXFVACOVHALBAY-UHFFFAOYSA-N 0 0 301.371 3.261 10 30 DGEERN C=CCCCN(C)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000273747805 211024971 /nfs/dbraw/zinc/02/49/71/211024971.db2.gz RMSVTFBRTNXVAO-UHFFFAOYSA-N 0 0 316.445 3.424 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000057158091 184028923 /nfs/dbraw/zinc/02/89/23/184028923.db2.gz IINPCILZFOPMFC-KRWDZBQOSA-N 0 0 316.445 3.174 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000062194591 184218406 /nfs/dbraw/zinc/21/84/06/184218406.db2.gz NJAHWZPULBPOAQ-SFHVURJKSA-N 0 0 306.365 3.242 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1sccc1C#N ZINC000066709815 184425545 /nfs/dbraw/zinc/42/55/45/184425545.db2.gz GCHCFBQBFPZJOJ-DOMZBBRYSA-N 0 0 312.394 3.222 10 30 DGEERN COc1ccc(OC)c(CN(C)c2cc(C(C)=O)ccc2C#N)c1 ZINC000302094623 532955209 /nfs/dbraw/zinc/95/52/09/532955209.db2.gz IKLKCLFISPMHGU-UHFFFAOYSA-N 0 0 324.380 3.414 10 30 DGEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccc(F)cc1F ZINC000302702622 252887864 /nfs/dbraw/zinc/88/78/64/252887864.db2.gz GEKGCIDSZFQYEW-QMMMGPOBSA-N 0 0 304.256 3.313 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCc1ccc(OCC)c(F)c1)OCC ZINC000270016133 208070187 /nfs/dbraw/zinc/07/01/87/208070187.db2.gz CHUTVVCIOFKWTP-MRXNPFEDSA-N 0 0 309.381 3.212 10 30 DGEERN C=C[C@@H](CC(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 ZINC000270206292 208271653 /nfs/dbraw/zinc/27/16/53/208271653.db2.gz FJXMJFQQKVJBIU-HNNXBMFYSA-N 0 0 310.397 3.380 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000270214007 208281226 /nfs/dbraw/zinc/28/12/26/208281226.db2.gz GLIQVVUPCBSQEH-GFCCVEGCSA-N 0 0 302.353 3.008 10 30 DGEERN N#Cc1ccc(F)cc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000159237487 197338668 /nfs/dbraw/zinc/33/86/68/197338668.db2.gz CCBNVTPYDPRWMW-CQSZACIVSA-N 0 0 310.376 3.026 10 30 DGEERN N#Cc1ccc(OCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255306025 285144123 /nfs/dbraw/zinc/14/41/23/285144123.db2.gz IZQBUUFGKPVGHB-HYXAFXHYSA-N 0 0 323.352 3.148 10 30 DGEERN N#Cc1cccc(OCCN2CCO[C@@H](c3cccs3)C2)c1 ZINC000157434210 197186928 /nfs/dbraw/zinc/18/69/28/197186928.db2.gz ZQOHVGPMLRETFK-MRXNPFEDSA-N 0 0 314.410 3.072 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343733724 254182587 /nfs/dbraw/zinc/18/25/87/254182587.db2.gz DILITJNQHSJAAN-MSOLQXFVSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1cc(Br)ccc1CSc1cccnn1 ZINC000344177443 254236048 /nfs/dbraw/zinc/23/60/48/254236048.db2.gz UNLSFWMUMFJXRR-UHFFFAOYSA-N 0 0 306.188 3.403 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000153987624 196927796 /nfs/dbraw/zinc/92/77/96/196927796.db2.gz KTRZSODMEBGPIS-LBPRGKRZSA-N 0 0 324.494 3.226 10 30 DGEERN COCCC1(CNC(=O)NCC2CCC(C#N)CC2)CCCC1 ZINC000441028206 533196478 /nfs/dbraw/zinc/19/64/78/533196478.db2.gz DARKSPYNTMGRAB-UHFFFAOYSA-N 0 0 321.465 3.212 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000271609471 209056660 /nfs/dbraw/zinc/05/66/60/209056660.db2.gz ZPWBBFRAOHAUDD-YOEHRIQHSA-N 0 0 320.433 3.379 10 30 DGEERN C#CCCCC(=O)O[C@@H]1CCc2cc(Br)cnc21 ZINC000288880698 335058694 /nfs/dbraw/zinc/05/86/94/335058694.db2.gz RMZSFDTZFHNFPX-GFCCVEGCSA-N 0 0 308.175 3.178 10 30 DGEERN COCc1csc(NC(=O)N(CCC#N)CCC(C)C)n1 ZINC000177083293 533265239 /nfs/dbraw/zinc/26/52/39/533265239.db2.gz FUDPDGXAPXSVKZ-UHFFFAOYSA-N 0 0 310.423 3.083 10 30 DGEERN C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@H]1COc2ccccc21 ZINC000178840093 533296493 /nfs/dbraw/zinc/29/64/93/533296493.db2.gz CHOGHDXTPZFGQA-CXAGYDPISA-N 0 0 306.365 3.047 10 30 DGEERN C[C@@H](CC#N)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000170683119 533402971 /nfs/dbraw/zinc/40/29/71/533402971.db2.gz LKGZXPODBLTGAI-JTQLQIEISA-N 0 0 309.207 3.145 10 30 DGEERN C[C@H](CC#N)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000129350108 533602126 /nfs/dbraw/zinc/60/21/26/533602126.db2.gz FZZZVCCIWHPJJQ-SECBINFHSA-N 0 0 321.229 3.057 10 30 DGEERN COc1ccc(CN(c2ccc([N+](=O)[O-])c(C#N)n2)C2CC2)cc1 ZINC000302709785 533551003 /nfs/dbraw/zinc/55/10/03/533551003.db2.gz HUPZYDCBJXOORD-UHFFFAOYSA-N 0 0 324.340 3.039 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N(CC#N)C1CCCC1 ZINC000160059771 533554664 /nfs/dbraw/zinc/55/46/64/533554664.db2.gz DAKNXYXUMKAEQV-UHFFFAOYSA-N 0 0 306.793 3.186 10 30 DGEERN CSCCCCNc1ncc(Br)cc1C#N ZINC000309281251 533558510 /nfs/dbraw/zinc/55/85/10/533558510.db2.gz HUTXJYWJIBERFC-UHFFFAOYSA-N 0 0 300.225 3.271 10 30 DGEERN CC(=O)N1CCc2c1cccc2NCc1ccc(C)c(C#N)c1 ZINC000600566359 400094075 /nfs/dbraw/zinc/09/40/75/400094075.db2.gz PIUVNCXLXMFJFZ-UHFFFAOYSA-N 0 0 305.381 3.388 10 30 DGEERN Cc1ccc(NC(=O)[C@H](C#N)c2nc(C(C)C)cs2)cn1 ZINC000616177060 400095670 /nfs/dbraw/zinc/09/56/70/400095670.db2.gz AQLVYLRCXBLXGO-LBPRGKRZSA-N 0 0 300.387 3.216 10 30 DGEERN C#C[C@H](C)Nc1cc(I)ccc1Cl ZINC000300881177 400100360 /nfs/dbraw/zinc/10/03/60/400100360.db2.gz ACNNULFOXQCTHG-ZETCQYMHSA-N 0 0 305.546 3.378 10 30 DGEERN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000584807692 400106412 /nfs/dbraw/zinc/10/64/12/400106412.db2.gz LAGHJXAOJAMQOB-GOEBONIOSA-N 0 0 312.392 3.183 10 30 DGEERN CCOC(=O)[C@@]1(CCCc2cccc(C(F)(F)F)c2)CO1 ZINC000001853744 400081495 /nfs/dbraw/zinc/08/14/95/400081495.db2.gz SDIZRKMLTFYCJA-CQSZACIVSA-N 0 0 302.292 3.360 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000581668391 400082238 /nfs/dbraw/zinc/08/22/38/400082238.db2.gz HOUMVXURPHAEJQ-ILXRZTDVSA-N 0 0 309.450 3.415 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2COc3c2ccc(C)c3C)CC1 ZINC000600871518 400174538 /nfs/dbraw/zinc/17/45/38/400174538.db2.gz CIYKKADKUHIKLA-INIZCTEOSA-N 0 0 300.402 3.345 10 30 DGEERN Cc1nsc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1C#N ZINC000587994930 400178511 /nfs/dbraw/zinc/17/85/11/400178511.db2.gz INJJTZUEAPVPTN-SNVBAGLBSA-N 0 0 320.368 3.292 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1c(C)nn(C)c1C ZINC000328625768 400182647 /nfs/dbraw/zinc/18/26/47/400182647.db2.gz KZJRAUAEFYSFPH-LBPRGKRZSA-N 0 0 318.446 3.227 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)CCc1ccnn1C ZINC000328632154 400183742 /nfs/dbraw/zinc/18/37/42/400183742.db2.gz RQUMKWVWMMUKBI-LBPRGKRZSA-N 0 0 318.446 3.194 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1ccc(=O)[nH]c1C ZINC000328630484 400184032 /nfs/dbraw/zinc/18/40/32/400184032.db2.gz PYGGVCBTRLGCPJ-LLVKDONJSA-N 0 0 317.414 3.285 10 30 DGEERN N#Cc1ccc(CNC(=O)C[C@H]2CCc3ccccc32)c(F)c1 ZINC000609651797 400185017 /nfs/dbraw/zinc/18/50/17/400185017.db2.gz QJRNAQXGABCCNU-OAHLLOKOSA-N 0 0 308.356 3.434 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)n1ccc(C)n1 ZINC000616301880 400121465 /nfs/dbraw/zinc/12/14/65/400121465.db2.gz XDESVCZLPSYGIU-WMZOPIPTSA-N 0 0 311.429 3.446 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](OC)C1CCCC1 ZINC000616300987 400121791 /nfs/dbraw/zinc/12/17/91/400121791.db2.gz HUROBKNLNGLROF-ZWKOTPCHSA-N 0 0 301.430 3.495 10 30 DGEERN C=C[C@H](NCc1ccccc1OCc1ccccc1)C(=O)OC ZINC000309736030 400132291 /nfs/dbraw/zinc/13/22/91/400132291.db2.gz QOZOWSKZIMRFGN-KRWDZBQOSA-N 0 0 311.381 3.083 10 30 DGEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1Br ZINC000310779871 400134920 /nfs/dbraw/zinc/13/49/20/400134920.db2.gz XHTZPXOURMIEDN-JGPRNRPPSA-N 0 0 305.175 3.305 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067107654 400147210 /nfs/dbraw/zinc/14/72/10/400147210.db2.gz PUUBBKVAVDVZRV-VUCTXSBTSA-N 0 0 324.355 3.137 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C)c(C)c1Cl ZINC000616461143 400150849 /nfs/dbraw/zinc/15/08/49/400150849.db2.gz BGPDDMJNRVDCOP-CQSZACIVSA-N 0 0 308.809 3.366 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C)c(C)c1Cl ZINC000616461142 400150863 /nfs/dbraw/zinc/15/08/63/400150863.db2.gz BGPDDMJNRVDCOP-AWEZNQCLSA-N 0 0 308.809 3.366 10 30 DGEERN N#Cc1ccc(CNC(=O)Cc2cccc3cccnc32)c(F)c1 ZINC000609231801 400152687 /nfs/dbraw/zinc/15/26/87/400152687.db2.gz OGSYSPFQHXEKKV-UHFFFAOYSA-N 0 0 319.339 3.104 10 30 DGEERN C=C[C@@H](C(=O)OC)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000586774010 400153033 /nfs/dbraw/zinc/15/30/33/400153033.db2.gz LJNXFTAAQWIUNF-JKSUJKDBSA-N 0 0 309.356 3.276 10 30 DGEERN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc(C#N)cc1F ZINC000609240235 400153857 /nfs/dbraw/zinc/15/38/57/400153857.db2.gz WEEWQVINLSTCHZ-SFHVURJKSA-N 0 0 323.371 3.493 10 30 DGEERN Cc1nc2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2o1 ZINC000609252023 400153890 /nfs/dbraw/zinc/15/38/90/400153890.db2.gz ATRNVQOLMMZTER-UHFFFAOYSA-N 0 0 324.315 3.469 10 30 DGEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(C#N)cc1 ZINC000609240167 400154069 /nfs/dbraw/zinc/15/40/69/400154069.db2.gz QEZFZIYAZOVBSX-GFCCVEGCSA-N 0 0 322.343 3.129 10 30 DGEERN CCC1(C)CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609254604 400156042 /nfs/dbraw/zinc/15/60/42/400156042.db2.gz UBAYDONPTJQYRM-UHFFFAOYSA-N 0 0 303.381 3.419 10 30 DGEERN Cc1ccc(OCCN(C)C(=O)CCc2ccc(C#N)cc2)cc1 ZINC000024618257 400221600 /nfs/dbraw/zinc/22/16/00/400221600.db2.gz FDYYJBXMHVNDRQ-UHFFFAOYSA-N 0 0 322.408 3.337 10 30 DGEERN N#C[C@@H]1CCCC[C@H]1NCc1ncc(Br)s1 ZINC000595693816 400230484 /nfs/dbraw/zinc/23/04/84/400230484.db2.gz JOJBFYLNETXLIE-DTWKUNHWSA-N 0 0 300.225 3.078 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc2nccn2c1)c1cccc(C#N)c1 ZINC000610326345 400242336 /nfs/dbraw/zinc/24/23/36/400242336.db2.gz WEBSWRTUBCIWIZ-GFCCVEGCSA-N 0 0 305.341 3.089 10 30 DGEERN C=CCC1(c2nc(Cn3cnc4ccccc43)no2)CCOCC1 ZINC000351312423 400246466 /nfs/dbraw/zinc/24/64/66/400246466.db2.gz YADXMGXVNUZJSE-UHFFFAOYSA-N 0 0 324.384 3.092 10 30 DGEERN C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1cccc(C#N)c1 ZINC000610361791 400249686 /nfs/dbraw/zinc/24/96/86/400249686.db2.gz HHXWVKSTENMFBQ-LBPRGKRZSA-N 0 0 318.336 3.099 10 30 DGEERN N#Cc1ccccc1CS(=O)(=O)Nc1cccc(Cl)c1 ZINC000021510842 400194602 /nfs/dbraw/zinc/19/46/02/400194602.db2.gz XNANLCGQJUATJE-UHFFFAOYSA-N 0 0 306.774 3.154 10 30 DGEERN C=CCSCCNC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000601020068 400205680 /nfs/dbraw/zinc/20/56/80/400205680.db2.gz UBVJVRNOFNSLLP-UHFFFAOYSA-N 0 0 315.442 3.045 10 30 DGEERN N#Cc1cccc(CC(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000610520555 400270173 /nfs/dbraw/zinc/27/01/73/400270173.db2.gz VLANODHYAVMBEP-UHFFFAOYSA-N 0 0 308.356 3.435 10 30 DGEERN C[C@H]1Cc2ccccc2N1C1CCN(c2ccc(C#N)nc2)CC1 ZINC000610541629 400273200 /nfs/dbraw/zinc/27/32/00/400273200.db2.gz WKYDMPBZEJNSGU-HNNXBMFYSA-N 0 0 318.424 3.373 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnc2cc(C)nn2c1C ZINC000617036994 400287702 /nfs/dbraw/zinc/28/77/02/400287702.db2.gz HCQADQTYOZMPPY-GOEBONIOSA-N 0 0 312.417 3.211 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000617036665 400288114 /nfs/dbraw/zinc/28/81/14/400288114.db2.gz CPZIMGXTXXVWEK-UKRRQHHQSA-N 0 0 317.433 3.072 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1nc(C(C)C)no1 ZINC000617037414 400288215 /nfs/dbraw/zinc/28/82/15/400288215.db2.gz MRLFVTHFOPNGPS-ZIAGYGMSSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(OC)ccc1OC ZINC000617036671 400288220 /nfs/dbraw/zinc/28/82/20/400288220.db2.gz CRTHMOCRZGALBO-YOEHRIQHSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000617039442 400289178 /nfs/dbraw/zinc/28/91/78/400289178.db2.gz HJJBPKAZZGMBOF-KYJSFNMBSA-N 0 0 317.429 3.197 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617038571 400289285 /nfs/dbraw/zinc/28/92/85/400289285.db2.gz ZARJTLIEZBVIGS-HUUCEWRRSA-N 0 0 301.386 3.209 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000617041572 400289983 /nfs/dbraw/zinc/28/99/83/400289983.db2.gz FZERVEYEGLBVSP-KDOFPFPSSA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1c2c(nn1C)CCCC2 ZINC000617040364 400290231 /nfs/dbraw/zinc/29/02/31/400290231.db2.gz SVGGVYLEHWUGIA-DZGCQCFKSA-N 0 0 301.434 3.164 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cccn2)n1 ZINC000617040200 400290235 /nfs/dbraw/zinc/29/02/35/400290235.db2.gz QSNGPHNWDRGGKV-HUUCEWRRSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C2CC2)c(C)cc1=O ZINC000617042319 400291027 /nfs/dbraw/zinc/29/10/27/400291027.db2.gz QBRDZJALWQEOPM-PBHICJAKSA-N 0 0 314.429 3.356 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000617043096 400291150 /nfs/dbraw/zinc/29/11/50/400291150.db2.gz ZJBITRNCMVYLLW-XJKSGUPXSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000617042440 400291180 /nfs/dbraw/zinc/29/11/80/400291180.db2.gz RGWHMDUXRMZTPX-NVXWUHKLSA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000617043535 400291244 /nfs/dbraw/zinc/29/12/44/400291244.db2.gz BEFYTGWZXXLIFA-HIFRSBDPSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1sc(COC)nc1C ZINC000617042483 400291286 /nfs/dbraw/zinc/29/12/86/400291286.db2.gz RXGFUJIVDXAYKM-CHWSQXEVSA-N 0 0 308.447 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c1CCCC2 ZINC000617042871 400291377 /nfs/dbraw/zinc/29/13/77/400291377.db2.gz WMKINIMSPQAGJH-CABCVRRESA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CC2)c(C)cc1=O ZINC000617042320 400291405 /nfs/dbraw/zinc/29/14/05/400291405.db2.gz QBRDZJALWQEOPM-RHSMWYFYSA-N 0 0 314.429 3.356 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000617042473 400291422 /nfs/dbraw/zinc/29/14/22/400291422.db2.gz RXAYOMAWKNVUSA-WCQYABFASA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1scc2c1OCCO2 ZINC000617045231 400292166 /nfs/dbraw/zinc/29/21/66/400292166.db2.gz XVCLJUIIEFQQJP-RYUDHWBXSA-N 0 0 307.415 3.384 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000617044044 400292186 /nfs/dbraw/zinc/29/21/86/400292186.db2.gz IBEXTDRIDNADAZ-INMHGKMJSA-N 0 0 301.434 3.005 10 30 DGEERN CC(C)(C)OC(=O)N1CC(N[C@H](C#N)c2cccc(Cl)c2)C1 ZINC000409437770 400301297 /nfs/dbraw/zinc/30/12/97/400301297.db2.gz BEVPGBOFGKRCLH-CQSZACIVSA-N 0 0 321.808 3.114 10 30 DGEERN Cc1ccc(C#N)cc1NCc1csc(-c2cnn(C)c2)n1 ZINC000610754701 400302246 /nfs/dbraw/zinc/30/22/46/400302246.db2.gz PJZBCNOYNOHLBA-UHFFFAOYSA-N 0 0 309.398 3.336 10 30 DGEERN C[C@H](c1ccco1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000069094124 400310612 /nfs/dbraw/zinc/31/06/12/400310612.db2.gz VFRZCVMYFLVVON-SNVBAGLBSA-N 0 0 324.789 3.186 10 30 DGEERN C=CCCSCCNC(=O)NCc1ccc2cccnc2c1 ZINC000601620623 400318897 /nfs/dbraw/zinc/31/88/97/400318897.db2.gz MUWIMHJUWBLPRR-UHFFFAOYSA-N 0 0 315.442 3.343 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)NC(=O)C2CCCC2)CCCC1 ZINC000617416128 400384112 /nfs/dbraw/zinc/38/41/12/400384112.db2.gz BWHCEWJPNJFQDO-HNNXBMFYSA-N 0 0 320.477 3.324 10 30 DGEERN C=CCCC1(CNC(=O)CCOC[C@H]2CCCO2)CCCC1 ZINC000617416493 400384168 /nfs/dbraw/zinc/38/41/68/400384168.db2.gz SNOWOJHEQUUXIS-MRXNPFEDSA-N 0 0 309.450 3.215 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](NC(C)=O)C2CCCC2)CCCC1 ZINC000617416406 400384453 /nfs/dbraw/zinc/38/44/53/400384453.db2.gz OWUYGPZYJSXODA-KRWDZBQOSA-N 0 0 320.477 3.324 10 30 DGEERN C=CCCC1(CNC(=O)c2nc(C)c(C)[nH]c2=O)CCCC1 ZINC000617417422 400385074 /nfs/dbraw/zinc/38/50/74/400385074.db2.gz YLHIKKVIIHSKEA-UHFFFAOYSA-N 0 0 303.406 3.055 10 30 DGEERN C=CCCn1cc(C(=O)NCC2(CCC=C)CCCC2)nn1 ZINC000617417803 400385157 /nfs/dbraw/zinc/38/51/57/400385157.db2.gz HCQRIGNDJWEQLI-UHFFFAOYSA-N 0 0 302.422 3.111 10 30 DGEERN C=CCCC1(CNC(=O)Cn2cc(C3CC3)cn2)CCCC1 ZINC000617417936 400385688 /nfs/dbraw/zinc/38/56/88/400385688.db2.gz MNVOIZDGFDYCNW-UHFFFAOYSA-N 0 0 301.434 3.403 10 30 DGEERN C=CCOc1ccc2c(c1)oc1c(CC(=O)OC)cccc1c2=O ZINC000036433366 400390011 /nfs/dbraw/zinc/39/00/11/400390011.db2.gz AIKUISJDNFSGRU-UHFFFAOYSA-N 0 0 324.332 3.227 10 30 DGEERN CN(C(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1ccc(C#N)cc1 ZINC000610982829 400332493 /nfs/dbraw/zinc/33/24/93/400332493.db2.gz IQTIVNBHASVQFX-FXAWDEMLSA-N 0 0 318.376 3.261 10 30 DGEERN C[C@@](C#N)(NC(=O)c1cccc2nccnc21)C1CCCCC1 ZINC000578920189 400333362 /nfs/dbraw/zinc/33/33/62/400333362.db2.gz UIQOKSXCDJITJS-SFHVURJKSA-N 0 0 308.385 3.222 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)s1 ZINC000579223307 400337054 /nfs/dbraw/zinc/33/70/54/400337054.db2.gz XCRQEBGLMGBYHY-KBPBESRZSA-N 0 0 314.410 3.131 10 30 DGEERN CC[C@@H](C#N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601728982 400341930 /nfs/dbraw/zinc/34/19/30/400341930.db2.gz RXCQCUQZUUUXEB-ZWKOTPCHSA-N 0 0 313.445 3.097 10 30 DGEERN C=CCCCNC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000579902708 400343620 /nfs/dbraw/zinc/34/36/20/400343620.db2.gz SYHABXDRHRSRCL-UHFFFAOYSA-N 0 0 324.409 3.449 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(C)o1 ZINC000611081393 400343621 /nfs/dbraw/zinc/34/36/21/400343621.db2.gz MTGULKKFXWIJQU-UHFFFAOYSA-N 0 0 314.341 3.254 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nc3ccccc3n2C2CC2)c1 ZINC000611111420 400346139 /nfs/dbraw/zinc/34/61/39/400346139.db2.gz ICGSGVWHLGKAID-UHFFFAOYSA-N 0 0 316.364 3.424 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1oc2ccc(F)cc2c1C)C(=O)OC ZINC000601771656 400346830 /nfs/dbraw/zinc/34/68/30/400346830.db2.gz JYQOXHWGUMUFCW-CYBMUJFWSA-N 0 0 319.332 3.118 10 30 DGEERN C=CCc1cc(CN[C@@H](C)c2cscn2)cc(OC)c1O ZINC000580903474 400348329 /nfs/dbraw/zinc/34/83/29/400348329.db2.gz UXDPVMOKHSHRLI-NSHDSACASA-N 0 0 304.415 3.437 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(C)c(Cl)c1F)C(=O)OC ZINC000601781774 400348580 /nfs/dbraw/zinc/34/85/80/400348580.db2.gz LNIGEGQWHSMKRS-NSHDSACASA-N 0 0 313.756 3.025 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccco2)s1)C(=O)OC ZINC000601781718 400348717 /nfs/dbraw/zinc/34/87/17/400348717.db2.gz KKOVEPYYYQROSH-LLVKDONJSA-N 0 0 319.382 3.246 10 30 DGEERN C=C(C)C[C@H](NC(=O)C/C=C\c1ccc(C)cc1)C(=O)OC ZINC000601781596 400348724 /nfs/dbraw/zinc/34/87/24/400348724.db2.gz JHLPWWPKCASHET-KJPDOMRESA-N 0 0 301.386 3.022 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1oc2c(cccc2C)c1C)C(=O)OC ZINC000601787557 400349700 /nfs/dbraw/zinc/34/97/00/400349700.db2.gz YXYODDBIHFWILS-CQSZACIVSA-N 0 0 315.369 3.287 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601875636 400369303 /nfs/dbraw/zinc/36/93/03/400369303.db2.gz XJMLKLOIHMXWMA-GJZGRUSLSA-N 0 0 301.438 3.181 10 30 DGEERN CC(=O)N1CC[C@@H](NCc2cccc(F)c2C#N)c2ccccc21 ZINC000602014438 400402781 /nfs/dbraw/zinc/40/27/81/400402781.db2.gz DJRMUKQYCQUCER-GOSISDBHSA-N 0 0 323.371 3.285 10 30 DGEERN CC1(C#N)CCN(C(=O)c2cccn2Cc2ccccc2)CC1 ZINC000611561265 400422331 /nfs/dbraw/zinc/42/23/31/400422331.db2.gz AUURVLHYADBRRU-UHFFFAOYSA-N 0 0 307.397 3.302 10 30 DGEERN N#Cc1cc(Br)ccc1CN1CCC12CCOCC2 ZINC000590728766 400424409 /nfs/dbraw/zinc/42/44/09/400424409.db2.gz STSSSNDGAVLQFA-UHFFFAOYSA-N 0 0 321.218 3.076 10 30 DGEERN Cc1onc(CC(=O)N(C)c2cccc3ccccc32)c1C#N ZINC000611527590 400416116 /nfs/dbraw/zinc/41/61/16/400416116.db2.gz BJBQNXPSUWLAKB-UHFFFAOYSA-N 0 0 305.337 3.213 10 30 DGEERN C=CCN(C(=O)CCCc1ccc(F)c(F)c1)[C@H](C)COC ZINC000617579358 400416874 /nfs/dbraw/zinc/41/68/74/400416874.db2.gz BOCALCKRCRRTTB-CYBMUJFWSA-N 0 0 311.372 3.337 10 30 DGEERN C=CCN(C(=O)c1cccc([C@H]2CCCOC2)c1)[C@H](C)COC ZINC000617580823 400417800 /nfs/dbraw/zinc/41/78/00/400417800.db2.gz GEVPRJFWKHMOMO-QAPCUYQASA-N 0 0 317.429 3.244 10 30 DGEERN CC1(C#N)CCN(C(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000611544383 400418668 /nfs/dbraw/zinc/41/86/68/400418668.db2.gz YSNDROHFNWHHAM-HNNXBMFYSA-N 0 0 311.429 3.127 10 30 DGEERN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Cc1cccc(C#N)c1 ZINC000611548126 400419660 /nfs/dbraw/zinc/41/96/60/400419660.db2.gz FHPFZOVPGRHNOO-SMDDNHRTSA-N 0 0 310.319 3.290 10 30 DGEERN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1sccc1C#N ZINC000611548749 400420304 /nfs/dbraw/zinc/42/03/04/400420304.db2.gz GFBLMZYRVXSWAU-PSASIEDQSA-N 0 0 302.321 3.423 10 30 DGEERN C[C@@H]1C[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)O1 ZINC000602332688 400440569 /nfs/dbraw/zinc/44/05/69/400440569.db2.gz MCCMRNWHEYDOAO-PTRXPTGYSA-N 0 0 323.190 3.073 10 30 DGEERN C=CCC1(C(=O)NCCc2ccnc3ccccc23)CCOCC1 ZINC000617669349 400441984 /nfs/dbraw/zinc/44/19/84/400441984.db2.gz HPIWPSOMRTVLMM-UHFFFAOYSA-N 0 0 324.424 3.266 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)C1 ZINC000617778501 400452057 /nfs/dbraw/zinc/45/20/57/400452057.db2.gz HWLIIRMBMOJEPL-INIZCTEOSA-N 0 0 309.413 3.429 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000617781884 400453592 /nfs/dbraw/zinc/45/35/92/400453592.db2.gz VFZAOMNORYDQRI-GFCCVEGCSA-N 0 0 315.339 3.264 10 30 DGEERN CC[C@H](c1ccncc1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000127883431 400508276 /nfs/dbraw/zinc/50/82/76/400508276.db2.gz DFSHKZOAFLURQV-WMLDXEAASA-N 0 0 323.396 3.330 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007665 400508317 /nfs/dbraw/zinc/50/83/17/400508317.db2.gz ZIGJBIVPDPETQC-SUMWQHHRSA-N 0 0 321.852 3.387 10 30 DGEERN C=CCN(Cc1cc(C(=O)OCC)no1)Cc1ccccc1F ZINC000602448657 400466923 /nfs/dbraw/zinc/46/69/23/400466923.db2.gz KZIZKYNXXCWKJU-UHFFFAOYSA-N 0 0 318.348 3.179 10 30 DGEERN C=CCc1cc(CNC(=O)N(C)C2CCC2)cc(OC)c1OC ZINC000073938168 400479485 /nfs/dbraw/zinc/47/94/85/400479485.db2.gz SEPCUFVQFBOYML-UHFFFAOYSA-N 0 0 318.417 3.126 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000125802697 400485655 /nfs/dbraw/zinc/48/56/55/400485655.db2.gz SXSZPUMBAUKHQA-KRWDZBQOSA-N 0 0 312.413 3.431 10 30 DGEERN COc1ccc2nc(C(=O)NCc3ccc(C#N)cc3)ccc2c1 ZINC000045408703 400522423 /nfs/dbraw/zinc/52/24/23/400522423.db2.gz KUJMHBSXRSLWFL-UHFFFAOYSA-N 0 0 317.348 3.045 10 30 DGEERN CN(C(=O)C(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1F ZINC000591668162 400548768 /nfs/dbraw/zinc/54/87/68/400548768.db2.gz BAEIDQYEPSKMMR-UHFFFAOYSA-N 0 0 322.339 3.032 10 30 DGEERN C=CCC1(NC(=O)C[C@H]2CCOc3ccccc32)CCOCC1 ZINC000618247757 400550392 /nfs/dbraw/zinc/55/03/92/400550392.db2.gz IMVNCRKXSVMMJD-OAHLLOKOSA-N 0 0 315.413 3.184 10 30 DGEERN C=C(C)C[C@H](NCc1nc(-c2ccccc2)cs1)C(=O)OC ZINC000602734585 400556897 /nfs/dbraw/zinc/55/68/97/400556897.db2.gz PNHZAEKXLNWJBX-AWEZNQCLSA-N 0 0 316.426 3.408 10 30 DGEERN C=C(C)C[C@@H](NCc1cscc1C(F)(F)F)C(=O)OC ZINC000602734665 400556968 /nfs/dbraw/zinc/55/69/68/400556968.db2.gz QTPHHILJMBCANV-LLVKDONJSA-N 0 0 307.337 3.364 10 30 DGEERN C=C(C)C[C@H](NCc1cnc(C2CCCC2)s1)C(=O)OC ZINC000602732996 400557060 /nfs/dbraw/zinc/55/70/60/400557060.db2.gz GFJXUJCVIBJSAR-AWEZNQCLSA-N 0 0 308.447 3.398 10 30 DGEERN C=C(C)C[C@H](NCc1cc(Cl)cc2cccnc21)C(=O)OC ZINC000602734442 400557149 /nfs/dbraw/zinc/55/71/49/400557149.db2.gz OJVKVZKDVNFZIO-HNNXBMFYSA-N 0 0 318.804 3.486 10 30 DGEERN C=C(C)C[C@@H](NCc1cnc(-c2ccccc2)s1)C(=O)OC ZINC000602734260 400557171 /nfs/dbraw/zinc/55/71/71/400557171.db2.gz NONBGUQBIFTVHB-OAHLLOKOSA-N 0 0 316.426 3.408 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc(SC)c(OC)c1)C(=O)OC ZINC000602734398 400557468 /nfs/dbraw/zinc/55/74/68/400557468.db2.gz NTRIOTHYOWHFBH-CYBMUJFWSA-N 0 0 309.431 3.015 10 30 DGEERN C=C(C)C[C@@H](NC1CCC(OC2CCCC2)CC1)C(=O)OC ZINC000602738009 400558292 /nfs/dbraw/zinc/55/82/92/400558292.db2.gz FTYVKEQXLDWBNE-BDVYOWHSSA-N 0 0 309.450 3.354 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@]2(C)CC2(F)F)cc1OC ZINC000618610743 400642911 /nfs/dbraw/zinc/64/29/11/400642911.db2.gz DQDYNOOPVWNVHN-OAHLLOKOSA-N 0 0 311.328 3.035 10 30 DGEERN N#Cc1ccc(CSCC(=O)NCCC2CCCC2)cc1 ZINC000047923848 400635344 /nfs/dbraw/zinc/63/53/44/400635344.db2.gz UYBGMGNSQMUVMS-UHFFFAOYSA-N 0 0 302.443 3.488 10 30 DGEERN C=CCCOCCNC(=O)Nc1ccccc1CCSC ZINC000603079079 400637775 /nfs/dbraw/zinc/63/77/75/400637775.db2.gz OFMNXTYCGQHHCB-UHFFFAOYSA-N 0 0 308.447 3.306 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000135108096 400584201 /nfs/dbraw/zinc/58/42/01/400584201.db2.gz VZUSWCMJHGQFTF-UHFFFAOYSA-N 0 0 322.361 3.040 10 30 DGEERN C=CCCCN(C)C(=O)c1[nH]nc(C(C)C)c1Br ZINC000135653827 400588167 /nfs/dbraw/zinc/58/81/67/400588167.db2.gz VOQCVNGLUTZXLT-UHFFFAOYSA-N 0 0 314.227 3.334 10 30 DGEERN C=CCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000591969508 400589521 /nfs/dbraw/zinc/58/95/21/400589521.db2.gz VKRWXJAMQIFHHM-KGLIPLIRSA-N 0 0 310.438 3.152 10 30 DGEERN Cc1ccccc1N(O)/C=C1\C=C(Br)C=CC1=O ZINC000136062830 400590581 /nfs/dbraw/zinc/59/05/81/400590581.db2.gz ZSONEVHECGAGIW-PKNBQFBNSA-N 0 0 306.159 3.492 10 30 DGEERN N#Cc1cc(COc2ccc(F)c(Br)c2)ccn1 ZINC000137055635 400594519 /nfs/dbraw/zinc/59/45/19/400594519.db2.gz UBJGKKLQJFQGBX-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1(C)C ZINC000612771846 400601097 /nfs/dbraw/zinc/60/10/97/400601097.db2.gz XHZPZAOQGRIYFA-GFCCVEGCSA-N 0 0 303.381 3.275 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1OC ZINC000618506792 400605577 /nfs/dbraw/zinc/60/55/77/400605577.db2.gz DYCFAQAZONUPDC-CWRNSKLLSA-N 0 0 315.413 3.426 10 30 DGEERN C=CCOCCCNC(=O)c1scc(C)c1Br ZINC000618524444 400610724 /nfs/dbraw/zinc/61/07/24/400610724.db2.gz DUNDEKSEEXCQTR-UHFFFAOYSA-N 0 0 318.236 3.142 10 30 DGEERN C=CCOCCCNC(=O)c1cc(Cl)c(Cl)cc1OC ZINC000618523755 400611038 /nfs/dbraw/zinc/61/10/38/400611038.db2.gz OOVGJRAWGVQZOX-UHFFFAOYSA-N 0 0 318.200 3.325 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C(F)(F)F)ccc1F ZINC000618525349 400611334 /nfs/dbraw/zinc/61/13/34/400611334.db2.gz CEOGFYFYROGJQN-UHFFFAOYSA-N 0 0 305.271 3.167 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000603157553 400651524 /nfs/dbraw/zinc/65/15/24/400651524.db2.gz QLBONWNGZWNSKC-YJBOKZPZSA-N 0 0 311.429 3.198 10 30 DGEERN N#CC[C@@H]1CCOc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000147316803 400651620 /nfs/dbraw/zinc/65/16/20/400651620.db2.gz WHPLCLQINOGCHY-CYBMUJFWSA-N 0 0 313.378 3.299 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N(CC)CCSC ZINC000592396854 400645521 /nfs/dbraw/zinc/64/55/21/400645521.db2.gz CEGFKGHAROJZHU-UHFFFAOYSA-N 0 0 322.503 3.306 10 30 DGEERN Cc1nc(C#N)n(CCOc2ccc(Br)cc2)c1C ZINC000603353439 400674020 /nfs/dbraw/zinc/67/40/20/400674020.db2.gz LQXZUHSZUWNQOX-UHFFFAOYSA-N 0 0 320.190 3.213 10 30 DGEERN CC(C)[C@@H]1CCO[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000592572991 400669207 /nfs/dbraw/zinc/66/92/07/400669207.db2.gz SXBVLBVKXCYOER-HZMBPMFUSA-N 0 0 304.415 3.108 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000618741494 400679363 /nfs/dbraw/zinc/67/93/63/400679363.db2.gz ICIIJEMCFSFFFC-BEFAXECRSA-N 0 0 317.429 3.166 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000076944759 400681559 /nfs/dbraw/zinc/68/15/59/400681559.db2.gz OJHFZXJJCGTMKP-INIZCTEOSA-N 0 0 312.417 3.117 10 30 DGEERN C=CCCCN(C)C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000076949829 400681698 /nfs/dbraw/zinc/68/16/98/400681698.db2.gz PGWAWWHBUOZXID-UHFFFAOYSA-N 0 0 323.481 3.021 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc2nccn2c1 ZINC000618757749 400683072 /nfs/dbraw/zinc/68/30/72/400683072.db2.gz CBDAGXCTSLZKDC-INIZCTEOSA-N 0 0 317.352 3.015 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc2nccn2c1 ZINC000618757752 400683192 /nfs/dbraw/zinc/68/31/92/400683192.db2.gz CBDAGXCTSLZKDC-MRXNPFEDSA-N 0 0 317.352 3.015 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)OC)c1ccccc1 ZINC000592694919 400687470 /nfs/dbraw/zinc/68/74/70/400687470.db2.gz ZIPSEKQCPJEFFC-GOEBONIOSA-N 0 0 317.429 3.440 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000613274657 400687563 /nfs/dbraw/zinc/68/75/63/400687563.db2.gz HHVSGZOBHLQQHJ-VIFPVBQESA-N 0 0 302.296 3.281 10 30 DGEERN C=C[C@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)OC)c1ccccc1 ZINC000592694917 400687491 /nfs/dbraw/zinc/68/74/91/400687491.db2.gz ZIPSEKQCPJEFFC-GDBMZVCRSA-N 0 0 317.429 3.440 10 30 DGEERN N#CCn1c(-c2nc(-c3cscn3)no2)cc2ccccc21 ZINC000618956477 400726134 /nfs/dbraw/zinc/72/61/34/400726134.db2.gz PFOOBBLESMNBTK-UHFFFAOYSA-N 0 0 307.338 3.338 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC)CCc1cccs1 ZINC000613550448 400747075 /nfs/dbraw/zinc/74/70/75/400747075.db2.gz FSOVTLMZXKWVME-INIZCTEOSA-N 0 0 322.474 3.000 10 30 DGEERN CC(=O)N(C)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000163506176 400747102 /nfs/dbraw/zinc/74/71/02/400747102.db2.gz YFFZPJCIDPECJF-UHFFFAOYSA-N 0 0 307.353 3.102 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000613548881 400747271 /nfs/dbraw/zinc/74/72/71/400747271.db2.gz YARSPLLHXNQAKP-NVXWUHKLSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000593066499 400751616 /nfs/dbraw/zinc/75/16/16/400751616.db2.gz FPIRYZVSUXSWSO-UHFFFAOYSA-N 0 0 304.390 3.075 10 30 DGEERN CC[C@@H](c1ccc(F)cc1)N1CCN(c2ncccc2C#N)CC1 ZINC000154139953 400692010 /nfs/dbraw/zinc/69/20/10/400692010.db2.gz ZGBORQNPUYQKBG-SFHVURJKSA-N 0 0 324.403 3.366 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3c(c2)CCOC3)CCOCC1 ZINC000618836582 400696608 /nfs/dbraw/zinc/69/66/08/400696608.db2.gz VDGOPKBSOJLFIK-UHFFFAOYSA-N 0 0 301.386 3.071 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC=CC1 ZINC000155001589 400699244 /nfs/dbraw/zinc/69/92/44/400699244.db2.gz CIODASQUPJCCHI-UHFFFAOYSA-N 0 0 301.346 3.011 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cscn1 ZINC000051310757 400699281 /nfs/dbraw/zinc/69/92/81/400699281.db2.gz HKPFBTLBDNDGQB-UHFFFAOYSA-N 0 0 314.414 3.137 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC(Cc2ccc(C)cc2)C1)OCC ZINC000618889330 400710209 /nfs/dbraw/zinc/71/02/09/400710209.db2.gz KVISIPPDENZLGD-GOSISDBHSA-N 0 0 301.430 3.367 10 30 DGEERN C=C(C)CN(CC)C(=O)CN(Cc1ccco1)C1CCCC1 ZINC000052076955 400716844 /nfs/dbraw/zinc/71/68/44/400716844.db2.gz AYHPDSLZJIDGNU-UHFFFAOYSA-N 0 0 304.434 3.449 10 30 DGEERN Cc1cc(NCc2ccc(C#N)cc2F)nc(-c2ccncc2)n1 ZINC000171832102 400807973 /nfs/dbraw/zinc/80/79/73/400807973.db2.gz INYJWWLJEIHUEQ-UHFFFAOYSA-N 0 0 319.343 3.470 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000171822739 400808006 /nfs/dbraw/zinc/80/80/06/400808006.db2.gz FJQZBEBWELCPNB-ZDUSSCGKSA-N 0 0 318.417 3.372 10 30 DGEERN N#Cc1ccc(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000171856828 400808665 /nfs/dbraw/zinc/80/86/65/400808665.db2.gz HIPLERVAXSICSS-IAGOWNOFSA-N 0 0 323.371 3.300 10 30 DGEERN C=CCCNc1cc(F)c(I)cc1N ZINC000168453487 400756961 /nfs/dbraw/zinc/75/69/61/400756961.db2.gz MSFLCPNJIQFWRM-UHFFFAOYSA-N 0 0 306.122 3.001 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2occ(C)c2c1 ZINC000613631266 400766303 /nfs/dbraw/zinc/76/63/03/400766303.db2.gz ITEKJTPYGBLWMP-OAHLLOKOSA-N 0 0 300.358 3.151 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000619101240 400766340 /nfs/dbraw/zinc/76/63/40/400766340.db2.gz FQWWKYLEUFDTGL-HDMKZQKVSA-N 0 0 323.477 3.458 10 30 DGEERN C=CCCCSCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593188379 400785662 /nfs/dbraw/zinc/78/56/62/400785662.db2.gz FLCOALIBZHZWLD-UHFFFAOYSA-N 0 0 311.472 3.327 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)NCc2ccc(C#N)cc2F)o1 ZINC000171483796 400801182 /nfs/dbraw/zinc/80/11/82/400801182.db2.gz HNAFBOAUQWTSOK-NSHDSACASA-N 0 0 301.321 3.159 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000605882562 400887722 /nfs/dbraw/zinc/88/77/22/400887722.db2.gz PYHYOACYWVGMTL-MRXNPFEDSA-N 0 0 304.434 3.447 10 30 DGEERN N#Cc1cc(O)cc(C(=O)NCCc2cccc3ccccc32)c1 ZINC000614298399 400872099 /nfs/dbraw/zinc/87/20/99/400872099.db2.gz LRYZIPVQKNZQQQ-UHFFFAOYSA-N 0 0 316.360 3.390 10 30 DGEERN C=CCCCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593577670 400876177 /nfs/dbraw/zinc/87/61/77/400876177.db2.gz GGENLRXBNDRXOJ-UHFFFAOYSA-N 0 0 306.431 3.122 10 30 DGEERN C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(C#N)c1 ZINC000619658667 400878825 /nfs/dbraw/zinc/87/88/25/400878825.db2.gz LYVPLKKDLUSURU-NFOMZHRRSA-N 0 0 310.401 3.248 10 30 DGEERN N#CC1CCC(CNC(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000619660074 400879052 /nfs/dbraw/zinc/87/90/52/400879052.db2.gz WBJTUJLIIHAFIG-BPCQOVAHSA-N 0 0 319.430 3.054 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000179768938 400879510 /nfs/dbraw/zinc/87/95/10/400879510.db2.gz RSDRGHMHHKGCHO-CYBMUJFWSA-N 0 0 324.446 3.265 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NCC[C@H]1CCCO1 ZINC000079593194 400879536 /nfs/dbraw/zinc/87/95/36/400879536.db2.gz MUDDAORXTBZOCK-OAHLLOKOSA-N 0 0 306.381 3.092 10 30 DGEERN C=CCC1(NS(=O)(=O)c2ccsc2C#N)CCCCC1 ZINC000593610662 400879710 /nfs/dbraw/zinc/87/97/10/400879710.db2.gz YOWRZPOQNVDKGM-UHFFFAOYSA-N 0 0 310.444 3.177 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180301764 400882946 /nfs/dbraw/zinc/88/29/46/400882946.db2.gz AAHPESGCLYWCFZ-GFCCVEGCSA-N 0 0 311.410 3.498 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000605803664 400884087 /nfs/dbraw/zinc/88/40/87/400884087.db2.gz ANYNEGQNMRWNNQ-UHFFFAOYSA-N 0 0 311.447 3.308 10 30 DGEERN CCC(CC)(CCO)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180647765 400885352 /nfs/dbraw/zinc/88/53/52/400885352.db2.gz XBQFSIDVYYCZJS-UHFFFAOYSA-N 0 0 314.429 3.160 10 30 DGEERN Cc1cc(Br)ccc1CNc1ccncc1C#N ZINC000614133150 400841341 /nfs/dbraw/zinc/84/13/41/400841341.db2.gz CMILSVXBARKUCY-UHFFFAOYSA-N 0 0 302.175 3.058 10 30 DGEERN C=C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593451339 400852640 /nfs/dbraw/zinc/85/26/40/400852640.db2.gz XJDAELIIINGXRQ-UHFFFAOYSA-N 0 0 319.202 3.042 10 30 DGEERN CC(C)[C@H](C(=O)NCc1ccc(C#N)cc1F)c1cccnc1 ZINC000619550754 400865283 /nfs/dbraw/zinc/86/52/83/400865283.db2.gz XNHVFOMWOKKHQY-KRWDZBQOSA-N 0 0 311.360 3.148 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000614373999 400889222 /nfs/dbraw/zinc/88/92/22/400889222.db2.gz XABHDGSUWSEKBC-LUYZLQTOSA-N 0 0 313.388 3.299 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC000614374585 400889279 /nfs/dbraw/zinc/88/92/79/400889279.db2.gz ZGZPLJDRVHVJRA-PXAZEXFGSA-N 0 0 314.360 3.085 10 30 DGEERN C=C[C@@H](N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)OC ZINC000619701869 400890864 /nfs/dbraw/zinc/89/08/64/400890864.db2.gz YDJCSQWDOFWMEV-NEPJUHHUSA-N 0 0 300.185 3.298 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000614395372 400892567 /nfs/dbraw/zinc/89/25/67/400892567.db2.gz AAQJDDJIOVPSPE-JTQLQIEISA-N 0 0 315.339 3.323 10 30 DGEERN C=CCC[C@H](O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182593614 400893802 /nfs/dbraw/zinc/89/38/02/400893802.db2.gz PTWWTMCBFDVVFU-ZANVPECISA-N 0 0 309.278 3.485 10 30 DGEERN C[C@@H](NC(=O)NC[C@H](C)C#N)c1ccc(-c2cccnc2)cc1 ZINC000182699373 400896569 /nfs/dbraw/zinc/89/65/69/400896569.db2.gz XAHRQXRHGIAEJW-ZIAGYGMSSA-N 0 0 308.385 3.268 10 30 DGEERN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C)c(OC)c2)CC1(C)C ZINC000606303542 400898080 /nfs/dbraw/zinc/89/80/80/400898080.db2.gz SKCLAQJVEAMIDY-MRXNPFEDSA-N 0 0 317.385 3.088 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000182843716 400899004 /nfs/dbraw/zinc/89/90/04/400899004.db2.gz YLXFIVUAGPYLJR-LSDHHAIUSA-N 0 0 308.809 3.027 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000614424408 400899234 /nfs/dbraw/zinc/89/92/34/400899234.db2.gz YTMVCSDGJWZJBZ-MLGOLLRUSA-N 0 0 320.458 3.057 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(-c2cccs2)c1 ZINC000184730440 400904114 /nfs/dbraw/zinc/90/41/14/400904114.db2.gz QMIHHMYYWOYJLQ-AWEZNQCLSA-N 0 0 302.399 3.474 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000185329450 400904630 /nfs/dbraw/zinc/90/46/30/400904630.db2.gz JORJQORIOZJZAN-LLVKDONJSA-N 0 0 316.323 3.241 10 30 DGEERN N#Cc1ccnc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000619877211 400912073 /nfs/dbraw/zinc/91/20/73/400912073.db2.gz QXJHACJEXUFUGU-KRWDZBQOSA-N 0 0 306.369 3.106 10 30 DGEERN C=CCCn1cc(C[S@@](=O)c2ccc(C(C)C)cc2)nn1 ZINC000593938361 400922417 /nfs/dbraw/zinc/92/24/17/400922417.db2.gz KZMGBJGMVGLGGT-OAQYLSRUSA-N 0 0 303.431 3.285 10 30 DGEERN N#Cc1ccc(OC[C@@H](O)CSc2ccc(F)c(F)c2)cc1 ZINC000198393266 400932014 /nfs/dbraw/zinc/93/20/14/400932014.db2.gz JGWMRGABDISPRT-GFCCVEGCSA-N 0 0 321.348 3.368 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCC[C@H](c2cccnc2)C1 ZINC000633537971 400990711 /nfs/dbraw/zinc/99/07/11/400990711.db2.gz BSWHFONNPODEGU-INIZCTEOSA-N 0 0 323.396 3.061 10 30 DGEERN N#CCc1cccc(Br)c1I ZINC000238065430 400997929 /nfs/dbraw/zinc/99/79/29/400997929.db2.gz IBKGXEPMHHZFRC-UHFFFAOYSA-N 0 0 321.943 3.120 10 30 DGEERN N#CCc1cc(I)cc(C(F)(F)F)c1 ZINC000238568473 400999236 /nfs/dbraw/zinc/99/92/36/400999236.db2.gz NPEWHKDSAXOPCW-UHFFFAOYSA-N 0 0 311.044 3.376 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594151608 401007088 /nfs/dbraw/zinc/00/70/88/401007088.db2.gz MNBDGTLINSIABU-UHFFFAOYSA-N 0 0 319.405 3.467 10 30 DGEERN C=CCCOCC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000620204977 401014769 /nfs/dbraw/zinc/01/47/69/401014769.db2.gz XIRMRQJKQFTICX-UHFFFAOYSA-N 0 0 315.413 3.009 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CCCC2(CC2)CC1 ZINC000624823101 400959880 /nfs/dbraw/zinc/95/98/80/400959880.db2.gz OENGFXJFBQUKLP-UHFFFAOYSA-N 0 0 323.444 3.220 10 30 DGEERN C=C(C)[C@@H](NN)c1ccc(Br)cc1Br ZINC000232558871 400971840 /nfs/dbraw/zinc/97/18/40/400971840.db2.gz PGPJETSXJRLYLT-SNVBAGLBSA-N 0 0 320.028 3.292 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)NCc2cccc3c2CCOC3)C1 ZINC000633502549 400976049 /nfs/dbraw/zinc/97/60/49/400976049.db2.gz CGIDUNFQHKRCIR-OAHLLOKOSA-N 0 0 314.429 3.257 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000633507007 400977704 /nfs/dbraw/zinc/97/77/04/400977704.db2.gz FREHLUZTPCNZPA-RYUDHWBXSA-N 0 0 315.373 3.202 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000058287831 401049593 /nfs/dbraw/zinc/04/95/93/401049593.db2.gz OLDSIWFISDHROW-CYBMUJFWSA-N 0 0 322.368 3.015 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nsc1NC1CC1 ZINC000620303473 401050699 /nfs/dbraw/zinc/05/06/99/401050699.db2.gz QKXNAZFPTHJKGZ-BETUJISGSA-N 0 0 303.431 3.349 10 30 DGEERN 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/nfs/dbraw/zinc/10/94/52/401109452.db2.gz FXPZPEYJYRDPCO-UHFFFAOYSA-N 0 0 307.423 3.013 10 30 DGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000625355930 401109623 /nfs/dbraw/zinc/10/96/23/401109623.db2.gz WTCCVHHDAXCWCJ-LLVKDONJSA-N 0 0 309.362 3.159 10 30 DGEERN C=CCCn1cc(CSCc2cccc(OCC)n2)nn1 ZINC000594558712 401110479 /nfs/dbraw/zinc/11/04/79/401110479.db2.gz CLSMGARPAFVOKB-UHFFFAOYSA-N 0 0 304.419 3.081 10 30 DGEERN C=CCCn1cc(CSCc2ccc(C#N)cc2F)nn1 ZINC000594565164 401113781 /nfs/dbraw/zinc/11/37/81/401113781.db2.gz QVTQFOHQEOBUSC-UHFFFAOYSA-N 0 0 302.378 3.298 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000625377294 401114966 /nfs/dbraw/zinc/11/49/66/401114966.db2.gz XXYREMNWDCHDPM-ZDUSSCGKSA-N 0 0 320.408 3.064 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000633845357 401131692 /nfs/dbraw/zinc/13/16/92/401131692.db2.gz JDXQPCJQRWROME-AZUAARDMSA-N 0 0 324.424 3.199 10 30 DGEERN C=CCC[C@@H](C)N[C@H](Cc1ccncc1)C(=O)OC(C)(C)C 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C=CCCC(C)(C)CNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000633962962 401166711 /nfs/dbraw/zinc/16/67/11/401166711.db2.gz BIHDQWKHVXCVEB-KRWDZBQOSA-N 0 0 316.445 3.363 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCC(Cc2nccs2)CC1)OCC ZINC000633947320 401157028 /nfs/dbraw/zinc/15/70/28/401157028.db2.gz DCYUGSBIHVUJMY-OAHLLOKOSA-N 0 0 322.474 3.296 10 30 DGEERN C=CCCC1(CN[C@H](C(=O)OC)c2cccnc2)CCCC1 ZINC000594713199 401158128 /nfs/dbraw/zinc/15/81/28/401158128.db2.gz YWBXDDNPWDOKBQ-INIZCTEOSA-N 0 0 302.418 3.412 10 30 DGEERN Cc1noc(C)c1CCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000084928500 401162618 /nfs/dbraw/zinc/16/26/18/401162618.db2.gz VVELODSGXOSMLW-UHFFFAOYSA-N 0 0 300.318 3.116 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000633965066 401167812 /nfs/dbraw/zinc/16/78/12/401167812.db2.gz WSONYTGVQJGKDU-QGZVFWFLSA-N 0 0 315.461 3.155 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000633965192 401169393 /nfs/dbraw/zinc/16/93/93/401169393.db2.gz KXHDJWBXDPTHHM-UHFFFAOYSA-N 0 0 319.449 3.265 10 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C=C1CC(C)(C(=O)NCc2cccc(NC(=O)CCC)c2)C1 ZINC000630751950 401322216 /nfs/dbraw/zinc/32/22/16/401322216.db2.gz FWSYYRFUEWVUCB-UHFFFAOYSA-N 0 0 300.402 3.398 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC000621989429 401332364 /nfs/dbraw/zinc/33/23/64/401332364.db2.gz IDHNMRCUQKEYMC-SMDDNHRTSA-N 0 0 313.319 3.474 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cscc1C(F)(F)F ZINC000621989489 401332411 /nfs/dbraw/zinc/33/24/11/401332411.db2.gz KDRSOPBMMLGXMG-BXKDBHETSA-N 0 0 319.348 3.478 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cscc1C(F)(F)F ZINC000621989492 401332443 /nfs/dbraw/zinc/33/24/43/401332443.db2.gz KDRSOPBMMLGXMG-SKDRFNHKSA-N 0 0 319.348 3.478 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000626281016 401334258 /nfs/dbraw/zinc/33/42/58/401334258.db2.gz AUTMOJUGKIOJRZ-UHFFFAOYSA-N 0 0 302.422 3.406 10 30 DGEERN C=CCn1c([C@H]2CCCOC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000622017263 401336470 /nfs/dbraw/zinc/33/64/70/401336470.db2.gz IKMWFOHHCNHOPI-HOCLYGCPSA-N 0 0 324.428 3.439 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(-n3cccn3)c(F)c2)C1 ZINC000626300066 401336663 /nfs/dbraw/zinc/33/66/63/401336663.db2.gz KSRCPAIUYHCHBT-CYBMUJFWSA-N 0 0 314.364 3.441 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)C1 ZINC000630828390 401336724 /nfs/dbraw/zinc/33/67/24/401336724.db2.gz AYMNMXOQUCLGNJ-UHFFFAOYSA-N 0 0 309.369 3.040 10 30 DGEERN C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1Cc2ccccc2[C@@H]1C ZINC000622017496 401336781 /nfs/dbraw/zinc/33/67/81/401336781.db2.gz SVWIDHJUGGOFDF-ZQIUZPCESA-N 0 0 324.428 3.438 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NCCC(C)(C)C=C)cc1 ZINC000626306946 401337894 /nfs/dbraw/zinc/33/78/94/401337894.db2.gz GEDMJOSLAFDKIK-UHFFFAOYSA-N 0 0 315.417 3.326 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](CC=C)C2)cc1 ZINC000626307035 401338176 /nfs/dbraw/zinc/33/81/76/401338176.db2.gz JNQBXRCLLSPXIK-AWEZNQCLSA-N 0 0 313.401 3.032 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc(OCCOC)c(F)c2)C1 ZINC000626323498 401340222 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UNPXARXSRQHKGH-MRXNPFEDSA-N 0 0 313.445 3.031 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000628486999 401606906 /nfs/dbraw/zinc/60/69/06/401606906.db2.gz VQXFMGYDHVIGTL-GFCCVEGCSA-N 0 0 307.340 3.352 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000628487644 401606915 /nfs/dbraw/zinc/60/69/15/401606915.db2.gz JKGKAAXGFAPURY-LLVKDONJSA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000628489512 401607146 /nfs/dbraw/zinc/60/71/46/401607146.db2.gz YAVURIPHAOECSM-AWEZNQCLSA-N 0 0 308.381 3.284 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000628488556 401607392 /nfs/dbraw/zinc/60/73/92/401607392.db2.gz BSYSXYDUSBCRDX-ZDUSSCGKSA-N 0 0 324.380 3.315 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCC(=O)c2cccc(OC)c2)C1 ZINC000628491770 401607745 /nfs/dbraw/zinc/60/77/45/401607745.db2.gz HOWZQMPSLOOXIP-HNNXBMFYSA-N 0 0 315.413 3.473 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCCC(=O)c2cccc(OC)c2)C1 ZINC000628491771 401607832 /nfs/dbraw/zinc/60/78/32/401607832.db2.gz HOWZQMPSLOOXIP-OAHLLOKOSA-N 0 0 315.413 3.473 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000633039303 401646659 /nfs/dbraw/zinc/64/66/59/401646659.db2.gz RYJDDSWHMASEJD-YQQAZPJKSA-N 0 0 319.449 3.182 10 30 DGEERN C=CCCCCNC(=O)c1c(F)cncc1Br ZINC000632520169 401612517 /nfs/dbraw/zinc/61/25/17/401612517.db2.gz DBZPCGSRIBSDRZ-UHFFFAOYSA-N 0 0 301.159 3.069 10 30 DGEERN C=CCCCS(=O)(=O)NCc1ccsc1C(F)(F)F ZINC000632607740 401616653 /nfs/dbraw/zinc/61/66/53/401616653.db2.gz UDYZICJUWGWQGV-UHFFFAOYSA-N 0 0 313.366 3.153 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)C1 ZINC000633153865 401654545 /nfs/dbraw/zinc/65/45/45/401654545.db2.gz WXSNTEMJMKDEPD-CQSZACIVSA-N 0 0 302.393 3.125 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCC(=O)C[C@H]1c1ccccc1)OCC ZINC000633166222 401656406 /nfs/dbraw/zinc/65/64/06/401656406.db2.gz SLLCZQCGVZEPJB-ZWKOTPCHSA-N 0 0 315.413 3.291 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC000624377655 401656766 /nfs/dbraw/zinc/65/67/66/401656766.db2.gz PVAJBXHIKCEQMK-VNQPRFMTSA-N 0 0 300.402 3.159 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCC[C@@H]1CCCOC1 ZINC000624447250 401660986 /nfs/dbraw/zinc/66/09/86/401660986.db2.gz LHTWEDGFGDSYMX-AWEZNQCLSA-N 0 0 308.447 3.262 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@H](C)c1ccncc1OC ZINC000633180789 401657871 /nfs/dbraw/zinc/65/78/71/401657871.db2.gz MKLHAXWFJHDBCL-CYBMUJFWSA-N 0 0 305.422 3.443 10 30 DGEERN C=CCCOCC(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000629027109 401658078 /nfs/dbraw/zinc/65/80/78/401658078.db2.gz OXFDAJXWMICPHZ-UHFFFAOYSA-N 0 0 313.319 3.183 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000624462900 401662495 /nfs/dbraw/zinc/66/24/95/401662495.db2.gz IZBSZVUPIJZODQ-CABCVRRESA-N 0 0 306.450 3.332 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000624462943 401662553 /nfs/dbraw/zinc/66/25/53/401662553.db2.gz KSNTXITUHFTDIP-ZDUSSCGKSA-N 0 0 304.438 3.115 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624544783 401669918 /nfs/dbraw/zinc/66/99/18/401669918.db2.gz DDSVWBDEMONJBT-FGTMMUONSA-N 0 0 317.477 3.286 10 30 DGEERN C=CCCCCCNC(=O)NCc1cccc2c1CCOC2 ZINC000633339595 401673891 /nfs/dbraw/zinc/67/38/91/401673891.db2.gz UVPCKBZNWVZGOP-UHFFFAOYSA-N 0 0 302.418 3.305 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000170248983 164612470 /nfs/dbraw/zinc/61/24/70/164612470.db2.gz OGRVXUJODXHSAX-XUXNNNHQSA-N 0 0 309.413 3.288 10 30 DGEERN N#Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000170891228 164617355 /nfs/dbraw/zinc/61/73/55/164617355.db2.gz RBJVKRPEQKVHPK-ZDUSSCGKSA-N 0 0 312.398 3.426 10 30 DGEERN N#Cc1cnccc1N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000364906705 287074013 /nfs/dbraw/zinc/07/40/13/287074013.db2.gz AKZDHHFRXSTOQH-ZDUSSCGKSA-N 0 0 304.353 3.478 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1Br ZINC000175086398 164747489 /nfs/dbraw/zinc/74/74/89/164747489.db2.gz DEDBLBNAIUELDD-VIFPVBQESA-N 0 0 318.174 3.140 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178582493 164842209 /nfs/dbraw/zinc/84/22/09/164842209.db2.gz PPPDTSKPURFXRD-QAPCUYQASA-N 0 0 313.401 3.026 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C#N)s1 ZINC000186023198 165025356 /nfs/dbraw/zinc/02/53/56/165025356.db2.gz UBOCZSLUXARLDR-LLVKDONJSA-N 0 0 320.381 3.245 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1CCN(c2cccs2)C(=O)C1 ZINC000186107362 165027483 /nfs/dbraw/zinc/02/74/83/165027483.db2.gz JEKCJBDNRWMWDB-CYBMUJFWSA-N 0 0 311.410 3.030 10 30 DGEERN Cc1cc(Br)cc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000187550180 165094930 /nfs/dbraw/zinc/09/49/30/165094930.db2.gz SCGIKGUWABFJNN-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000187657472 165099517 /nfs/dbraw/zinc/09/95/17/165099517.db2.gz YKYREAZNCKEDLW-MRXNPFEDSA-N 0 0 306.365 3.377 10 30 DGEERN COc1cc([N+](=O)[O-])ccc1OCc1ccc(C#N)c(F)c1 ZINC000187946587 165107708 /nfs/dbraw/zinc/10/77/08/165107708.db2.gz VONCKXGICIEMLR-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)c1sccc1C#N ZINC000189827207 165178370 /nfs/dbraw/zinc/17/83/70/165178370.db2.gz MKWLSERDFSCRDV-UHFFFAOYSA-N 0 0 308.366 3.366 10 30 DGEERN N#Cc1ccc(C[S@@](=O)Cc2ccc(F)c(F)c2)cc1F ZINC000190797895 165216857 /nfs/dbraw/zinc/21/68/57/165216857.db2.gz KYDOZDOXBILQCB-OAQYLSRUSA-N 0 0 309.312 3.424 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)CCCc2ccccc2)cc1F ZINC000190884751 165219207 /nfs/dbraw/zinc/21/92/07/165219207.db2.gz QASRSTKAMFQTSC-UHFFFAOYSA-N 0 0 317.385 3.245 10 30 DGEERN CCc1cc(=O)[nH]c(CSCc2ccc(C#N)c(F)c2)n1 ZINC000190978013 165223917 /nfs/dbraw/zinc/22/39/17/165223917.db2.gz CFWMGMPLEAMYBV-UHFFFAOYSA-N 0 0 303.362 3.189 10 30 DGEERN N#Cc1cc(F)c(CNc2nnc(-c3ccco3)o2)c(F)c1 ZINC000192745902 165303959 /nfs/dbraw/zinc/30/39/59/165303959.db2.gz VSXJBFBOSNSMLE-UHFFFAOYSA-N 0 0 302.240 3.092 10 30 DGEERN N#Cc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccn1 ZINC000192786195 165305529 /nfs/dbraw/zinc/30/55/29/165305529.db2.gz LMAFVPKXRBPOEC-GOSISDBHSA-N 0 0 305.381 3.191 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@H]2CCCc3occc32)cn1 ZINC000193289099 165322964 /nfs/dbraw/zinc/32/29/64/165322964.db2.gz OZYIKMUXXIBFBP-HNNXBMFYSA-N 0 0 305.341 3.221 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)ccn1 ZINC000193411295 165323938 /nfs/dbraw/zinc/32/39/38/165323938.db2.gz HXMKAFAAKPFPST-UHFFFAOYSA-N 0 0 312.760 3.433 10 30 DGEERN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccnc(C#N)c1 ZINC000193417084 165324855 /nfs/dbraw/zinc/32/48/55/165324855.db2.gz ARFWWLKXCATTLR-QGZVFWFLSA-N 0 0 323.396 3.479 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccn1 ZINC000193457081 165327365 /nfs/dbraw/zinc/32/73/65/165327365.db2.gz SWUUXBQYPGVHRI-UHFFFAOYSA-N 0 0 314.757 3.469 10 30 DGEERN N#Cc1cc(C(=O)Nc2c(F)cccc2Br)ccn1 ZINC000193666140 165329435 /nfs/dbraw/zinc/32/94/35/165329435.db2.gz ZBLGLVQOVJONCH-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1c(F)cccc1F ZINC000194228429 165340771 /nfs/dbraw/zinc/34/07/71/165340771.db2.gz DSBZQZYGMGAZPT-LLVKDONJSA-N 0 0 316.307 3.267 10 30 DGEERN N#Cc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511236 165371825 /nfs/dbraw/zinc/37/18/25/165371825.db2.gz BXMYVTZMUMGKIB-QGZVFWFLSA-N 0 0 321.428 3.213 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1ccccc1F ZINC000129439075 196048279 /nfs/dbraw/zinc/04/82/79/196048279.db2.gz AZBLMDGKEWEHEM-UHFFFAOYSA-N 0 0 320.327 3.147 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCS[C@@H](C)C1 ZINC000171692357 432161217 /nfs/dbraw/zinc/16/12/17/432161217.db2.gz QBTCPKLCDCSOJU-KBPBESRZSA-N 0 0 324.515 3.089 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000137022714 432168577 /nfs/dbraw/zinc/16/85/77/432168577.db2.gz GDKRXQPBEAWWLK-KBPBESRZSA-N 0 0 324.380 3.251 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CCC1 ZINC000190554910 432169584 /nfs/dbraw/zinc/16/95/84/432169584.db2.gz SBXYDXLMYVDRBF-GJZGRUSLSA-N 0 0 305.443 3.029 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)CCOCc1ccccc1 ZINC000129754615 196073101 /nfs/dbraw/zinc/07/31/01/196073101.db2.gz IIFOVLCJLRUBTG-UHFFFAOYSA-N 0 0 308.381 3.156 10 30 DGEERN Cc1cc(C)cc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)c1 ZINC000190883784 432196834 /nfs/dbraw/zinc/19/68/34/432196834.db2.gz OGWJUZSINLMDSG-UHFFFAOYSA-N 0 0 317.385 3.429 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(F)ccc1F ZINC000172350401 432208775 /nfs/dbraw/zinc/20/87/75/432208775.db2.gz JQQRQZSJGRAAEO-UHFFFAOYSA-N 0 0 310.307 3.452 10 30 DGEERN C=CCC[C@H](C(=O)NCC1(C)OCCCO1)c1ccccc1 ZINC000191123310 432223232 /nfs/dbraw/zinc/22/32/32/432223232.db2.gz INRQKJOBPHVMMP-INIZCTEOSA-N 0 0 303.402 3.006 10 30 DGEERN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1F)c1ccccc1 ZINC000134291011 196376747 /nfs/dbraw/zinc/37/67/47/196376747.db2.gz DTYZYRFMSPILKD-OLZOCXBDSA-N 0 0 312.344 3.342 10 30 DGEERN COc1ccc2c(CC(=O)N(CC#N)C3CCCC3)coc2c1 ZINC000125145294 226992828 /nfs/dbraw/zinc/99/28/28/226992828.db2.gz CAUOCYXEVRPWHY-UHFFFAOYSA-N 0 0 312.369 3.279 10 30 DGEERN Cc1cc(C)n(Cc2ccc(C(=O)N[C@](C)(C#N)C(C)C)cc2)n1 ZINC000130081127 227019409 /nfs/dbraw/zinc/01/94/09/227019409.db2.gz KUAAMUQBCDREGN-LJQANCHMSA-N 0 0 324.428 3.216 10 30 DGEERN N#CCCN(CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000152851773 227077998 /nfs/dbraw/zinc/07/79/98/227077998.db2.gz FCDPQBZZQVKUGP-UHFFFAOYSA-N 0 0 320.396 3.290 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1COc2ccccc21 ZINC000153206956 227081978 /nfs/dbraw/zinc/08/19/78/227081978.db2.gz RPUAKQLPVWZGGR-DYVFJYSZSA-N 0 0 321.380 3.439 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCN(C)c1ccccc1 ZINC000159926398 228244430 /nfs/dbraw/zinc/24/44/30/228244430.db2.gz LSHLURZIUVKJKR-UHFFFAOYSA-N 0 0 307.397 3.123 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000162251689 228256679 /nfs/dbraw/zinc/25/66/79/228256679.db2.gz WLAXEZCGCCIBKM-UHFFFAOYSA-N 0 0 316.364 3.364 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n1 ZINC000176472236 228313411 /nfs/dbraw/zinc/31/34/11/228313411.db2.gz PVNLAOQCZCPEMM-INIZCTEOSA-N 0 0 310.422 3.209 10 30 DGEERN C[C@@H](CCc1cccn1C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181179576 228360008 /nfs/dbraw/zinc/36/00/08/228360008.db2.gz QLJZZKCIEQBVGI-HNNXBMFYSA-N 0 0 321.424 3.331 10 30 DGEERN CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1(C)C ZINC000181514287 228362770 /nfs/dbraw/zinc/36/27/70/228362770.db2.gz BWJGXHOUKMVWLC-QAPCUYQASA-N 0 0 312.413 3.175 10 30 DGEERN COc1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182290693 228368196 /nfs/dbraw/zinc/36/81/96/228368196.db2.gz XLXODUGPOMTKBV-UHFFFAOYSA-N 0 0 306.365 3.180 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)N(CCC#N)CC1CC1 ZINC000191518650 228529470 /nfs/dbraw/zinc/52/94/70/228529470.db2.gz YMLHEBFTXBLVMM-UHFFFAOYSA-N 0 0 303.431 3.170 10 30 DGEERN N#CCCCCNC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192452517 228547903 /nfs/dbraw/zinc/54/79/03/228547903.db2.gz BYFSTVQGKAZIRL-UHFFFAOYSA-N 0 0 302.708 3.278 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cscc2C)cn1 ZINC000328635148 228906406 /nfs/dbraw/zinc/90/64/06/228906406.db2.gz UOVJGGCADYLAEU-LSDHHAIUSA-N 0 0 319.430 3.498 10 30 DGEERN Cn1nccc1CCC(=O)NC1CCC2(CCOCC2)CC1 ZINC000329002986 228924487 /nfs/dbraw/zinc/92/44/87/228924487.db2.gz LSGXARDUDVHOTH-UHFFFAOYSA-N 0 0 305.422 3.049 10 30 DGEERN C[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(-n2cncn2)cc1 ZINC000329830760 228963229 /nfs/dbraw/zinc/96/32/29/228963229.db2.gz KGKJNIKJMKYONA-LBPRGKRZSA-N 0 0 312.373 3.044 10 30 DGEERN CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1(C)C ZINC000330163764 228979832 /nfs/dbraw/zinc/97/98/32/228979832.db2.gz SSNQXQNQIPWGMO-MBEZOWKRSA-N 0 0 318.417 3.175 10 30 DGEERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(F)c1-c1nc[nH]n1 ZINC000330320325 228988421 /nfs/dbraw/zinc/98/84/21/228988421.db2.gz RQMAOYLCYVKMCK-NXEZZACHSA-N 0 0 304.325 3.014 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000333159381 229037359 /nfs/dbraw/zinc/03/73/59/229037359.db2.gz GZDDDNOVRCFTOQ-XIRDDKMYSA-N 0 0 319.449 3.059 10 30 DGEERN COCC1(c2noc([C@]3(C#N)CC34CCCC4)n2)CCCC1 ZINC000333641145 229039106 /nfs/dbraw/zinc/03/91/06/229039106.db2.gz CCNDJKQMWNUAAQ-QGZVFWFLSA-N 0 0 301.390 3.253 10 30 DGEERN Cc1cc([C@H](C#N)C(=O)Nc2ccccc2C(C)C)nc(C)n1 ZINC000358026799 229357190 /nfs/dbraw/zinc/35/71/90/229357190.db2.gz LBIVJDYYSRYXBB-HNNXBMFYSA-N 0 0 308.385 3.463 10 30 DGEERN Cc1ccc(NC(=O)CCNc2ccc(C#N)c(Cl)c2)nc1 ZINC000301248603 229584037 /nfs/dbraw/zinc/58/40/37/229584037.db2.gz RBOFHXYNJBKKCF-UHFFFAOYSA-N 0 0 314.776 3.356 10 30 DGEERN COCc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)o1 ZINC000131100592 292647144 /nfs/dbraw/zinc/64/71/44/292647144.db2.gz ZQSYZISWNDYRHC-UHFFFAOYSA-N 0 0 314.341 3.337 10 30 DGEERN Cc1cc(Sc2ncn(-c3ccccc3)n2)c(C#N)c(C)n1 ZINC000301780906 229890729 /nfs/dbraw/zinc/89/07/29/229890729.db2.gz MYMHUVORLRLIPX-UHFFFAOYSA-N 0 0 307.382 3.302 10 30 DGEERN Cc1cc(F)cc2c1ncc(C#N)c2NCCC1(C)OCCO1 ZINC000302163393 230136937 /nfs/dbraw/zinc/13/69/37/230136937.db2.gz QFZIAPGRWGZXCN-UHFFFAOYSA-N 0 0 315.348 3.119 10 30 DGEERN N#Cc1cc(NCC2(CCO)CC2)nc2ccc(Cl)cc12 ZINC000302400424 230234676 /nfs/dbraw/zinc/23/46/76/230234676.db2.gz DSUCSVDNXIRZTQ-UHFFFAOYSA-N 0 0 301.777 3.334 10 30 DGEERN CC1(C)c2cc(C(=O)Nc3ccc(C#N)cc3)ccc2NC1=O ZINC000074732072 263525049 /nfs/dbraw/zinc/52/50/49/263525049.db2.gz WSFUYROIVILFMA-UHFFFAOYSA-N 0 0 305.337 3.040 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C#N)[C@@H](C)C2 ZINC000181255154 263580843 /nfs/dbraw/zinc/58/08/43/263580843.db2.gz PNLREFNVCCAELQ-VBKZILBWSA-N 0 0 320.392 3.295 10 30 DGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000194730447 263819701 /nfs/dbraw/zinc/81/97/01/263819701.db2.gz USTJARYHDCBVBC-UHFFFAOYSA-N 0 0 316.704 3.076 10 30 DGEERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(C#N)ccn1 ZINC000357414864 270003797 /nfs/dbraw/zinc/00/37/97/270003797.db2.gz OGZXTNVIOYFTBH-NSHDSACASA-N 0 0 315.760 3.321 10 30 DGEERN CCSCc1ccnc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000534188275 270005057 /nfs/dbraw/zinc/00/50/57/270005057.db2.gz NVMBWPVXSHVEON-UHFFFAOYSA-N 0 0 311.410 3.388 10 30 DGEERN COC(=O)c1cccc(CSC[C@@H]2CCCOC2)c1C#N ZINC000533689084 270005199 /nfs/dbraw/zinc/00/51/99/270005199.db2.gz BIBYJHIFKOQSJM-GFCCVEGCSA-N 0 0 305.399 3.005 10 30 DGEERN C/C(=C\C(C)(C)C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000364900522 265553230 /nfs/dbraw/zinc/55/32/30/265553230.db2.gz MCANVNBAAILFHS-WKOYGUFESA-N 0 0 312.413 3.451 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2cc(C#N)ccc2Cl)s1 ZINC000352988527 265678305 /nfs/dbraw/zinc/67/83/05/265678305.db2.gz QETXDXSCJCDVLU-UHFFFAOYSA-N 0 0 305.746 3.123 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000182802050 432230682 /nfs/dbraw/zinc/23/06/82/432230682.db2.gz IAAGMEYQOSISQT-MWLCHTKSSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000626445876 424813243 /nfs/dbraw/zinc/81/32/43/424813243.db2.gz SDQQRPLXKKXLEA-QMMMGPOBSA-N 0 0 320.340 3.073 10 30 DGEERN COc1cc(NCc2nc(C#N)cs2)ccc1Br ZINC000352851559 266838358 /nfs/dbraw/zinc/83/83/58/266838358.db2.gz ZQBHBFAQTMYQGY-UHFFFAOYSA-N 0 0 324.203 3.398 10 30 DGEERN C[C@@H]1CCOCCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000367730317 267024014 /nfs/dbraw/zinc/02/40/14/267024014.db2.gz RJSBNUUGWPFBRK-OAHLLOKOSA-N 0 0 320.392 3.476 10 30 DGEERN C[C@H](C(=O)N1c2ccccc2[C@@H](C)CC1(C)C)n1cnc(C#N)n1 ZINC000361891015 267130785 /nfs/dbraw/zinc/13/07/85/267130785.db2.gz ASLYYTGVISFHOW-QWHCGFSZSA-N 0 0 323.400 3.030 10 30 DGEERN CCO[C@H]1C[C@H](N(C)c2nc(C)cc(C#N)n2)C12CCCCC2 ZINC000519710482 267157049 /nfs/dbraw/zinc/15/70/49/267157049.db2.gz UOPCEQIRKCSOMT-HOTGVXAUSA-N 0 0 314.433 3.221 10 30 DGEERN CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1cccc(C#N)c1 ZINC000531153395 267199016 /nfs/dbraw/zinc/19/90/16/267199016.db2.gz XYEQPBSSMDQHMS-SFHVURJKSA-N 0 0 307.397 3.496 10 30 DGEERN CN(Cc1ccc(F)cc1F)C(=O)Cc1cccc(C#N)c1 ZINC000530910912 267316413 /nfs/dbraw/zinc/31/64/13/267316413.db2.gz GJYWFTZDLGAXMK-UHFFFAOYSA-N 0 0 300.308 3.038 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCc3c(F)cc(F)cc32)c1 ZINC000531151244 268272964 /nfs/dbraw/zinc/27/29/64/268272964.db2.gz PHMHKEXCMZXZHB-UHFFFAOYSA-N 0 0 312.319 3.358 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCOC3(C2)CCCCCC3)c1 ZINC000532169000 268273304 /nfs/dbraw/zinc/27/33/04/268273304.db2.gz UUASBEPXBRXPHT-UHFFFAOYSA-N 0 0 312.413 3.053 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000531148673 268274885 /nfs/dbraw/zinc/27/48/85/268274885.db2.gz HBHGRQUIOMEGTJ-UHFFFAOYSA-N 0 0 304.393 3.339 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3c[nH]cn3)cc2)c1 ZINC000530670606 268277530 /nfs/dbraw/zinc/27/75/30/268277530.db2.gz OZYUXOLZKCEBFF-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN N#Cc1ccccc1OCC(=O)NCc1ccc(C(F)F)cc1 ZINC000184579273 268280358 /nfs/dbraw/zinc/28/03/58/268280358.db2.gz XPXBAUHZNMFQRD-UHFFFAOYSA-N 0 0 316.307 3.191 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)s2)c1 ZINC000362519478 268297304 /nfs/dbraw/zinc/29/73/04/268297304.db2.gz NDVPSYICMQPJOA-UWVGGRQHSA-N 0 0 303.774 3.410 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000357380683 268297321 /nfs/dbraw/zinc/29/73/21/268297321.db2.gz LEYIIHYBBVFUPL-UHFFFAOYSA-N 0 0 307.231 3.104 10 30 DGEERN N#Cc1cc2c(nc1N1CCC(C3CCOCC3)CC1)CCC2 ZINC000370977010 271404080 /nfs/dbraw/zinc/40/40/80/271404080.db2.gz WYNNEYFKTANPDU-UHFFFAOYSA-N 0 0 311.429 3.085 10 30 DGEERN N#Cc1nc(N[C@@H]2CCCc3sccc32)ccc1[N+](=O)[O-] ZINC000236416249 274931110 /nfs/dbraw/zinc/93/11/10/274931110.db2.gz XQYNFBKRDASNET-SNVBAGLBSA-N 0 0 300.343 3.412 10 30 DGEERN C#CCCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000245618539 275379188 /nfs/dbraw/zinc/37/91/88/275379188.db2.gz WBAHMLMNCPYWAB-SJLPKXTDSA-N 0 0 318.848 3.395 10 30 DGEERN C=CC(C)(C)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000451533030 275421437 /nfs/dbraw/zinc/42/14/37/275421437.db2.gz LUBFHIAGEJCJON-UHFFFAOYSA-N 0 0 308.372 3.216 10 30 DGEERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)n1C ZINC000449965518 276527940 /nfs/dbraw/zinc/52/79/40/276527940.db2.gz DEMVNHQGQMJGEJ-INIZCTEOSA-N 0 0 309.413 3.299 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000626304135 429948014 /nfs/dbraw/zinc/94/80/14/429948014.db2.gz FHTKPWFQZBAGCD-HNNXBMFYSA-N 0 0 310.401 3.361 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1cc(C)n(CC(F)(F)F)n1 ZINC000626589669 429951074 /nfs/dbraw/zinc/95/10/74/429951074.db2.gz NEERTRWYHYIMCM-UHFFFAOYSA-N 0 0 318.343 3.478 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000448821989 276919367 /nfs/dbraw/zinc/91/93/67/276919367.db2.gz IFQPRVNUMBQTBT-SQNIBIBYSA-N 0 0 315.413 3.122 10 30 DGEERN CC1(C#N)CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000541878927 430194065 /nfs/dbraw/zinc/19/40/65/430194065.db2.gz QMRYXRQZJQJXLZ-UHFFFAOYSA-N 0 0 323.400 3.089 10 30 DGEERN CO[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1C ZINC000221014754 277750187 /nfs/dbraw/zinc/75/01/87/277750187.db2.gz HLAPZSXZIVRZIR-HZMBPMFUSA-N 0 0 309.207 3.182 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCCO[C@@H](C)C1 ZINC000424230988 277788180 /nfs/dbraw/zinc/78/81/80/277788180.db2.gz APUXPGYKBODJJQ-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)C[C@@H](Nc1ncc(C#N)c2ccsc21)C(=O)OC ZINC000601227182 430539679 /nfs/dbraw/zinc/53/96/79/430539679.db2.gz NDVCAHDRXYHPGR-GFCCVEGCSA-N 0 0 301.371 3.088 10 30 DGEERN C=CCC1(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)CCC1 ZINC000377022781 277824867 /nfs/dbraw/zinc/82/48/67/277824867.db2.gz HCPOKXUCUOVIDB-CYBMUJFWSA-N 0 0 302.422 3.051 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000456603787 277833353 /nfs/dbraw/zinc/83/33/53/277833353.db2.gz WZWAFHWNEWEMOC-GDBMZVCRSA-N 0 0 302.418 3.055 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)nn1 ZINC000424589186 277839127 /nfs/dbraw/zinc/83/91/27/277839127.db2.gz WTTWILNIQQRTHF-RRFJBIMHSA-N 0 0 304.438 3.045 10 30 DGEERN C=CCN(CC=C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000411166020 277849685 /nfs/dbraw/zinc/84/96/85/277849685.db2.gz RPTMRZQFCSDNRP-CQSZACIVSA-N 0 0 302.443 3.188 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617044878 430590063 /nfs/dbraw/zinc/59/00/63/430590063.db2.gz UOGSFJXYAPYNQK-DOMZBBRYSA-N 0 0 310.401 3.077 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C2CCCC2)nc1N ZINC000620303032 430598128 /nfs/dbraw/zinc/59/81/28/430598128.db2.gz GMDSQCVGXVNOAM-OKILXGFUSA-N 0 0 312.417 3.040 10 30 DGEERN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000450566306 279011933 /nfs/dbraw/zinc/01/19/33/279011933.db2.gz VHKIBHXTFUNMPR-NEPJUHHUSA-N 0 0 311.360 3.184 10 30 DGEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(C#N)c1 ZINC000103377856 279013110 /nfs/dbraw/zinc/01/31/10/279013110.db2.gz SEBYYXGPXCDFAY-LLVKDONJSA-N 0 0 307.309 3.058 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000069317163 431175518 /nfs/dbraw/zinc/17/55/18/431175518.db2.gz YDKQTFYOYLZIPY-NSHDSACASA-N 0 0 303.387 3.125 10 30 DGEERN C=CC1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000110362949 431186288 /nfs/dbraw/zinc/18/62/88/431186288.db2.gz OBCIQDUWACELMB-DYVFJYSZSA-N 0 0 312.413 3.319 10 30 DGEERN N#C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000108840002 431156160 /nfs/dbraw/zinc/15/61/60/431156160.db2.gz JGNWRDLEWKQGEG-SFHVURJKSA-N 0 0 322.364 3.276 10 30 DGEERN Cc1cc(OCCCC(=O)N[C@@H](C#N)C2CC2)ccc1Cl ZINC000108843558 431160482 /nfs/dbraw/zinc/16/04/82/431160482.db2.gz QVWHRMBBNXNNFO-HNNXBMFYSA-N 0 0 306.793 3.226 10 30 DGEERN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000001042168 431214340 /nfs/dbraw/zinc/21/43/40/431214340.db2.gz MPMHCHSVEGMOAH-UNEWFSDZSA-N 0 0 318.442 3.051 10 30 DGEERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000070549228 431252080 /nfs/dbraw/zinc/25/20/80/431252080.db2.gz CQLHBRPSJGBGRH-KGLIPLIRSA-N 0 0 306.431 3.053 10 30 DGEERN Cc1sc(NC(=O)c2ccccc2)c(/C=N\CCO)c1C ZINC000003154573 431284755 /nfs/dbraw/zinc/28/47/55/431284755.db2.gz FUSYUITWNRTVLH-YVLHZVERSA-N 0 0 302.399 3.028 10 30 DGEERN CC1(C)CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000112706983 431296160 /nfs/dbraw/zinc/29/61/60/431296160.db2.gz XCNIOOMEQMXOBI-UHFFFAOYSA-N 0 0 312.822 3.022 10 30 DGEERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](C#N)C1CC1 ZINC000112908438 431316026 /nfs/dbraw/zinc/31/60/26/431316026.db2.gz MMBGEZSKFLWASA-KWQFWETISA-N 0 0 313.184 3.179 10 30 DGEERN N#C[C@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C1CC1 ZINC000114332691 431383901 /nfs/dbraw/zinc/38/39/01/431383901.db2.gz CWYLBIXRSHPKKQ-SFHVURJKSA-N 0 0 324.355 3.437 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000114511517 431395086 /nfs/dbraw/zinc/39/50/86/431395086.db2.gz KCTZVIPEWPTUCZ-INIZCTEOSA-N 0 0 323.400 3.278 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000114568404 431398798 /nfs/dbraw/zinc/39/87/98/431398798.db2.gz VLOBXOFVHGHDNG-QGZVFWFLSA-N 0 0 322.412 3.387 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cccc(-n2cncn2)c1 ZINC000115381642 431450464 /nfs/dbraw/zinc/45/04/64/431450464.db2.gz FQSLVXOPJCDNIC-UHFFFAOYSA-N 0 0 324.428 3.476 10 30 DGEERN C=CC[C@H](C)NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000116855618 431532788 /nfs/dbraw/zinc/53/27/88/431532788.db2.gz IIGBNTHRSXYVMY-NTZNESFSSA-N 0 0 304.365 3.115 10 30 DGEERN CC(C)[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000117195447 431551406 /nfs/dbraw/zinc/55/14/06/431551406.db2.gz FEFAHOXIKJAZHQ-GDBMZVCRSA-N 0 0 300.402 3.363 10 30 DGEERN C=CCCCN(C)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000076486874 431552601 /nfs/dbraw/zinc/55/26/01/431552601.db2.gz VFZMBWGGCJPNTJ-OAHLLOKOSA-N 0 0 300.402 3.002 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000076951946 431565613 /nfs/dbraw/zinc/56/56/13/431565613.db2.gz LKLFJEGBSWISOW-INIZCTEOSA-N 0 0 301.434 3.121 10 30 DGEERN O=C(c1ccccc1)N1CCC(/N=C/c2ccccc2O)CC1 ZINC000016703053 431612116 /nfs/dbraw/zinc/61/21/16/431612116.db2.gz ZDNHZEFQGYHLBM-XSFVSMFZSA-N 0 0 308.381 3.116 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)Cc1cnc2ccccc2c1 ZINC000118882978 431623828 /nfs/dbraw/zinc/62/38/28/431623828.db2.gz VHXDMGGGKNAOKQ-UHFFFAOYSA-N 0 0 319.364 3.313 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078187682 431648793 /nfs/dbraw/zinc/64/87/93/431648793.db2.gz QUYKTAVARCOGPS-INMHGKMJSA-N 0 0 317.429 3.381 10 30 DGEERN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(C#N)n1C ZINC000448584547 280548249 /nfs/dbraw/zinc/54/82/49/280548249.db2.gz FLNLPMYSYLAHQC-UHFFFAOYSA-N 0 0 308.385 3.058 10 30 DGEERN COCC(=O)O[C@@H](c1ccccc1)/C1=C/C#CCCCCC#C1 ZINC000027868843 431694086 /nfs/dbraw/zinc/69/40/86/431694086.db2.gz OPMJQPBXLXNVOF-XMJIKXADSA-N 0 0 308.377 3.425 10 30 DGEERN N#CCSc1cccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000079412621 431723889 /nfs/dbraw/zinc/72/38/89/431723889.db2.gz SILHZUBGZRTHIV-CVEARBPZSA-N 0 0 316.426 3.086 10 30 DGEERN C[C@@H](CC#N)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000120417888 431726118 /nfs/dbraw/zinc/72/61/18/431726118.db2.gz NUMLXOQMQFBZMK-QWRGUYRKSA-N 0 0 309.207 3.361 10 30 DGEERN Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c(C#N)cc1N(C)C ZINC000408409142 280607214 /nfs/dbraw/zinc/60/72/14/280607214.db2.gz UFCHGHZZLGQXGP-ZIAGYGMSSA-N 0 0 312.417 3.197 10 30 DGEERN COc1ccc2c(CC(=O)N[C@](C)(C#N)C(C)C)coc2c1 ZINC000120707020 431733904 /nfs/dbraw/zinc/73/39/04/431733904.db2.gz UAFUMCBUOVHZSL-QGZVFWFLSA-N 0 0 300.358 3.038 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120903964 431736209 /nfs/dbraw/zinc/73/62/09/431736209.db2.gz MFUHMFQSLJRUKG-INIZCTEOSA-N 0 0 320.820 3.306 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(F)(F)F ZINC000079802198 431745099 /nfs/dbraw/zinc/74/50/99/431745099.db2.gz UNQYFAZTMQZFGK-UHFFFAOYSA-N 0 0 316.279 3.452 10 30 DGEERN C=CCCCN(C)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000121142236 431746360 /nfs/dbraw/zinc/74/63/60/431746360.db2.gz QXLZGSOPIZEBPW-UHFFFAOYSA-N 0 0 310.825 3.464 10 30 DGEERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000121164832 431747524 /nfs/dbraw/zinc/74/75/24/431747524.db2.gz FXUUDRMCUIENJU-INIZCTEOSA-N 0 0 322.412 3.103 10 30 DGEERN CC(C)Oc1cccnc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000079397776 431721437 /nfs/dbraw/zinc/72/14/37/431721437.db2.gz VPFCGAIFCULTKV-UHFFFAOYSA-N 0 0 309.369 3.013 10 30 DGEERN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(C#N)cn1C ZINC000081550626 431791825 /nfs/dbraw/zinc/79/18/25/431791825.db2.gz NPAFNOKHAZUNOR-MRXNPFEDSA-N 0 0 313.376 3.033 10 30 DGEERN Cc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)cn1C ZINC000081550940 431792797 /nfs/dbraw/zinc/79/27/97/431792797.db2.gz BYECTPIGFQTAHZ-UHFFFAOYSA-N 0 0 307.275 3.476 10 30 DGEERN C=CCCCN(C)C(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000081775171 431797945 /nfs/dbraw/zinc/79/79/45/431797945.db2.gz RMVVNYYGZIDDAP-UHFFFAOYSA-N 0 0 307.365 3.222 10 30 DGEERN C[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc2ccccc2c1 ZINC000121509474 431798303 /nfs/dbraw/zinc/79/83/03/431798303.db2.gz CHODUOSUPVMDJU-CYBMUJFWSA-N 0 0 314.410 3.124 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000121572349 431802671 /nfs/dbraw/zinc/80/26/71/431802671.db2.gz HWQYKIFYLLNOCZ-AWEZNQCLSA-N 0 0 311.447 3.278 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000083230055 431809090 /nfs/dbraw/zinc/80/90/90/431809090.db2.gz PJHWQKHOCGSOKI-ZBFHGGJFSA-N 0 0 318.417 3.253 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc(-n2ccnc2)c1 ZINC000084116222 431816024 /nfs/dbraw/zinc/81/60/24/431816024.db2.gz LTHUFTUKMBOIOP-GFCCVEGCSA-N 0 0 322.393 3.296 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000080941760 431778682 /nfs/dbraw/zinc/77/86/82/431778682.db2.gz CHDLEXRLNLHASW-UHFFFAOYSA-N 0 0 319.364 3.332 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCSc2ccc(Cl)cc21 ZINC000081010896 431784456 /nfs/dbraw/zinc/78/44/56/431784456.db2.gz QIFHURHRTLFTSO-UHFFFAOYSA-N 0 0 317.801 3.303 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1CCCCO1 ZINC000087208851 431851224 /nfs/dbraw/zinc/85/12/24/431851224.db2.gz BPIJZWFZIJFTAD-MRXNPFEDSA-N 0 0 318.373 3.069 10 30 DGEERN N#CC1(NC(=O)c2cc(F)ccc2Br)CCCC1 ZINC000040216364 431857036 /nfs/dbraw/zinc/85/70/36/431857036.db2.gz HDJXLZINUYLQAM-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809571 431833056 /nfs/dbraw/zinc/83/30/56/431833056.db2.gz IWBFKJYGPFVCOF-OLZOCXBDSA-N 0 0 307.346 3.489 10 30 DGEERN C=CCCOCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000122515289 431836271 /nfs/dbraw/zinc/83/62/71/431836271.db2.gz NERNWWZHZZKHPE-HNNXBMFYSA-N 0 0 306.406 3.417 10 30 DGEERN CCc1ccc([C@H](COC)NC(=O)c2ccc(C#N)cc2C)o1 ZINC000125276337 431919240 /nfs/dbraw/zinc/91/92/40/431919240.db2.gz HWUIZKQSOOKKJH-INIZCTEOSA-N 0 0 312.369 3.140 10 30 DGEERN Fc1nc(F)c(F)c(N2CCC[C@H](C(F)(F)F)C2)c1F ZINC000094628594 431919872 /nfs/dbraw/zinc/91/98/72/431919872.db2.gz YVVMUGKXHFXJJS-YFKPBYRVSA-N 0 0 302.193 3.417 10 30 DGEERN Fc1nc(F)c(F)c(N2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000094628595 431919933 /nfs/dbraw/zinc/91/99/33/431919933.db2.gz YVVMUGKXHFXJJS-RXMQYKEDSA-N 0 0 302.193 3.417 10 30 DGEERN CCOC(=O)C(C)=NNc1ccc(Br)cc1CC ZINC000095348120 431921813 /nfs/dbraw/zinc/92/18/13/431921813.db2.gz ZZDAIKANEXJABP-OQLLNIDSSA-N 0 0 313.195 3.362 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000125330195 431922350 /nfs/dbraw/zinc/92/23/50/431922350.db2.gz KDYPKZHMIPCYCO-GFCCVEGCSA-N 0 0 312.394 3.320 10 30 DGEERN CC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000123824116 431875150 /nfs/dbraw/zinc/87/51/50/431875150.db2.gz NEYWIIURAGAWNP-IEBWSBKVSA-N 0 0 319.408 3.209 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@H](C)C1CCOCC1 ZINC000123833114 431875669 /nfs/dbraw/zinc/87/56/69/431875669.db2.gz NEFQULFHJPKRQF-MRXNPFEDSA-N 0 0 301.430 3.306 10 30 DGEERN Cc1cccc([C@H]2CCCCN2C(=O)Nc2ncnn2C)c1C ZINC000091185355 431903079 /nfs/dbraw/zinc/90/30/79/431903079.db2.gz QFZOWSLMTWWVSO-OAHLLOKOSA-N 0 0 313.405 3.205 10 30 DGEERN Cc1ccc(-c2nc(CC(=O)NC3(C#N)CCCC3)cs2)o1 ZINC000124779410 431904673 /nfs/dbraw/zinc/90/46/73/431904673.db2.gz VNJKZJKWMKQUBH-UHFFFAOYSA-N 0 0 315.398 3.207 10 30 DGEERN N#Cc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000127510198 431974291 /nfs/dbraw/zinc/97/42/91/431974291.db2.gz RGSNNBXGXHNRBD-UHFFFAOYSA-N 0 0 315.804 3.122 10 30 DGEERN C=CCOc1cc(C(=O)OC)cc2cc(OC)cc(OC)c21 ZINC000095937671 431927185 /nfs/dbraw/zinc/92/71/85/431927185.db2.gz RFYLMFYYVITYKE-UHFFFAOYSA-N 0 0 302.326 3.208 10 30 DGEERN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=N\N)c2)n1 ZINC000095938761 431927516 /nfs/dbraw/zinc/92/75/16/431927516.db2.gz FKLPPANBMLSXBP-UKWGHVSLSA-N 0 0 308.307 3.126 10 30 DGEERN N#CC1(C(=O)NCCCCOCc2ccccc2)CCCC1 ZINC000050422533 431948158 /nfs/dbraw/zinc/94/81/58/431948158.db2.gz FDEAFFRAAMFYHK-UHFFFAOYSA-N 0 0 300.402 3.184 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000126502355 431951546 /nfs/dbraw/zinc/95/15/46/431951546.db2.gz LCKDZCRLHCPESQ-DNVCBOLYSA-N 0 0 320.392 3.469 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000126521847 431952151 /nfs/dbraw/zinc/95/21/51/431952151.db2.gz IRKFYWZGYRTVOF-DGCLKSJQSA-N 0 0 300.324 3.424 10 30 DGEERN N#CC1(NC(=O)CCc2ccc(OC(F)F)cc2)CCCC1 ZINC000097120864 431962770 /nfs/dbraw/zinc/96/27/70/431962770.db2.gz YEBVKNGIOURMDW-UHFFFAOYSA-N 0 0 308.328 3.173 10 30 DGEERN N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000127340389 431969690 /nfs/dbraw/zinc/96/96/90/431969690.db2.gz GPOTXNHQENVQQP-HZPDHXFCSA-N 0 0 313.426 3.275 10 30 DGEERN CC1(C)CN(c2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000302710780 281267285 /nfs/dbraw/zinc/26/72/85/281267285.db2.gz ZJJBFKGWRUDGLX-UHFFFAOYSA-N 0 0 315.373 3.394 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000128353563 431992243 /nfs/dbraw/zinc/99/22/43/431992243.db2.gz BKYTWFNTZPIRDG-WMZOPIPTSA-N 0 0 315.461 3.115 10 30 DGEERN CN1CC[C@H](CNC(=O)C2(C#N)CCCCC2)c2ccccc21 ZINC000057397570 431992592 /nfs/dbraw/zinc/99/25/92/431992592.db2.gz UIZNKJILPGPFKQ-OAHLLOKOSA-N 0 0 311.429 3.200 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H](O)COC ZINC000191510974 432271999 /nfs/dbraw/zinc/27/19/99/432271999.db2.gz QFMKKCDEDCIHNH-OAHLLOKOSA-N 0 0 320.433 3.057 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000191427569 432263718 /nfs/dbraw/zinc/26/37/18/432263718.db2.gz DLOTUVQBKFDJIW-HNNXBMFYSA-N 0 0 313.401 3.295 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270601742 432264251 /nfs/dbraw/zinc/26/42/51/432264251.db2.gz WTNVQAAWFKTWFW-AWEZNQCLSA-N 0 0 313.319 3.381 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2c1cccc2F ZINC000183716455 432318446 /nfs/dbraw/zinc/31/84/46/432318446.db2.gz SUKIPAJPKQHDKW-GFCCVEGCSA-N 0 0 310.328 3.054 10 30 DGEERN N#Cc1cc(NC[C@@H]2CSCCS2)c2ccccc2n1 ZINC000152269587 432320137 /nfs/dbraw/zinc/32/01/37/432320137.db2.gz RVXYRHAWUWNCRM-GFCCVEGCSA-N 0 0 301.440 3.367 10 30 DGEERN COc1ccc(COc2c(F)cccc2[N+](=O)[O-])cc1C#N ZINC000183734419 432320737 /nfs/dbraw/zinc/32/07/37/432320737.db2.gz STPXIYVKDQCMJQ-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN C[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000174308996 432335375 /nfs/dbraw/zinc/33/53/75/432335375.db2.gz KJGJHNAUCHGCRR-NSHDSACASA-N 0 0 300.308 3.370 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000249049371 432336364 /nfs/dbraw/zinc/33/63/64/432336364.db2.gz IGVLJJHMWYKPLS-OEUWWYETSA-N 0 0 300.402 3.266 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000249058637 432336827 /nfs/dbraw/zinc/33/68/27/432336827.db2.gz OKRQRUAXZNHIOP-IJEWVQPXSA-N 0 0 300.402 3.363 10 30 DGEERN Cc1ccc(OC2CCN(c3nc(C)cc(C)c3C#N)CC2)nc1 ZINC000192182393 432342484 /nfs/dbraw/zinc/34/24/84/432342484.db2.gz ATEHCPMIKGJKBG-UHFFFAOYSA-N 0 0 322.412 3.321 10 30 DGEERN N#Cc1cccc(CNC(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000184015342 432345979 /nfs/dbraw/zinc/34/59/79/432345979.db2.gz KALALRHOTATPFA-UHFFFAOYSA-N 0 0 315.323 3.495 10 30 DGEERN CC(C)(CC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173899498 432305781 /nfs/dbraw/zinc/30/57/81/432305781.db2.gz ZLOAJNFQHWTJJM-UHFFFAOYSA-N 0 0 322.408 3.421 10 30 DGEERN C[C@H](CC1CCCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173906264 432307027 /nfs/dbraw/zinc/30/70/27/432307027.db2.gz XSLHSFIVSFIBLP-CQSZACIVSA-N 0 0 300.402 3.270 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000173906015 432307077 /nfs/dbraw/zinc/30/70/77/432307077.db2.gz RHFGOEGOMZXNIG-UHFFFAOYSA-N 0 0 300.745 3.020 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccnc(C#N)c1 ZINC000248667025 432311691 /nfs/dbraw/zinc/31/16/91/432311691.db2.gz OWNGIMGWHWETGL-LBTNJELSSA-N 0 0 305.381 3.360 10 30 DGEERN CCOc1c(F)cccc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000152179409 432312194 /nfs/dbraw/zinc/31/21/94/432312194.db2.gz KKQWBHTVRNVWPB-PXAZEXFGSA-N 0 0 304.365 3.427 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CCC1 ZINC000191901900 432312794 /nfs/dbraw/zinc/31/27/94/432312794.db2.gz JENSWUYBMKLDBT-UHFFFAOYSA-N 0 0 307.415 3.083 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)CC2CCCCC2)cn1 ZINC000183653574 432313643 /nfs/dbraw/zinc/31/36/43/432313643.db2.gz CIEUCDPNOLWGGL-UHFFFAOYSA-N 0 0 309.373 3.048 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)CCCC2CCCC2)cn1 ZINC000183668167 432314755 /nfs/dbraw/zinc/31/47/55/432314755.db2.gz CEUIXPPKOKZCEV-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN C=CCOc1ccc(OCc2cc(-c3cnn(C)c3)no2)cc1 ZINC000184436660 432392097 /nfs/dbraw/zinc/39/20/97/432392097.db2.gz SPSVCMWGOQFOEL-UHFFFAOYSA-N 0 0 311.341 3.219 10 30 DGEERN CC1(CNC(=O)CCCCOc2cccc(C#N)c2)CCC1 ZINC000175096603 432398219 /nfs/dbraw/zinc/39/82/19/432398219.db2.gz FFMSIMRPZQWKPQ-UHFFFAOYSA-N 0 0 300.402 3.414 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(C#N)cc2)s1 ZINC000175230936 432413871 /nfs/dbraw/zinc/41/38/71/432413871.db2.gz RHLUNVIRIKWJBT-SNVBAGLBSA-N 0 0 301.371 3.283 10 30 DGEERN N#Cc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)ccn1 ZINC000192889268 432425018 /nfs/dbraw/zinc/42/50/18/432425018.db2.gz LETCQAVEQOWVEG-UHFFFAOYSA-N 0 0 311.772 3.416 10 30 DGEERN N#Cc1c(CNc2cc(Cl)ccc2C(N)=O)cn2ccccc12 ZINC000193419960 432472110 /nfs/dbraw/zinc/47/21/10/432472110.db2.gz HOGQRXDKXGTGCP-UHFFFAOYSA-N 0 0 324.771 3.175 10 30 DGEERN N#Cc1ccc(C[S@@](=O)Cc2nc(C3CCCC3)no2)cc1 ZINC000154401332 432496885 /nfs/dbraw/zinc/49/68/85/432496885.db2.gz OYHKYRBYVVMHJB-QFIPXVFZSA-N 0 0 315.398 3.048 10 30 DGEERN C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)[C@@H]1c1cccc(F)c1 ZINC000176214891 432500468 /nfs/dbraw/zinc/50/04/68/432500468.db2.gz LLSGNKPYYVKRLA-PXAZEXFGSA-N 0 0 311.360 3.259 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000185080328 432463198 /nfs/dbraw/zinc/46/31/98/432463198.db2.gz GLYMLOMWNYPZFM-LBPRGKRZSA-N 0 0 323.820 3.372 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)NCCCCC)CC1 ZINC000185137841 432469712 /nfs/dbraw/zinc/46/97/12/432469712.db2.gz CTNVESHLGNSKBV-HNNXBMFYSA-N 0 0 308.466 3.134 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000185960986 432548760 /nfs/dbraw/zinc/54/87/60/432548760.db2.gz GEUIVUZVIRJEQI-UKRRQHHQSA-N 0 0 318.392 3.040 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CCCC)c1ccc(OC)cc1 ZINC000185958950 432549609 /nfs/dbraw/zinc/54/96/09/432549609.db2.gz XGZYYKOCDFRVAJ-RDJZCZTQSA-N 0 0 320.433 3.163 10 30 DGEERN CC#CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966196 432550916 /nfs/dbraw/zinc/55/09/16/432550916.db2.gz JDBDKZMJCWBKMS-FUHWJXTLSA-N 0 0 320.383 3.020 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000186011163 432552660 /nfs/dbraw/zinc/55/26/60/432552660.db2.gz RXGKLAMTKXWAGO-ZIAGYGMSSA-N 0 0 319.401 3.018 10 30 DGEERN Cc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)c(O)c1 ZINC000186002124 432552742 /nfs/dbraw/zinc/55/27/42/432552742.db2.gz VLEFCYJQROUCFV-ZDUSSCGKSA-N 0 0 319.368 3.326 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000186044618 432554188 /nfs/dbraw/zinc/55/41/88/432554188.db2.gz LKUWOUZCAIWSLX-CYBMUJFWSA-N 0 0 302.374 3.124 10 30 DGEERN C=CCCCN(C)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000176798576 432554361 /nfs/dbraw/zinc/55/43/61/432554361.db2.gz YSJBPZQNGRWSSO-UHFFFAOYSA-N 0 0 305.328 3.189 10 30 DGEERN C=CC[C@H](C)NC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000176859037 432560026 /nfs/dbraw/zinc/56/00/26/432560026.db2.gz CGPURKINVNJYAR-HEHGZKQESA-N 0 0 306.381 3.262 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCc2cn(C)nc2C(F)(F)F)c1 ZINC000273180079 432560852 /nfs/dbraw/zinc/56/08/52/432560852.db2.gz AWLDJRNAITURJG-UHFFFAOYSA-N 0 0 322.290 3.125 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000185797259 432533896 /nfs/dbraw/zinc/53/38/96/432533896.db2.gz IFGUOPGGPWMABP-UONOGXRCSA-N 0 0 313.401 3.440 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCOc1cccc2ccccc21 ZINC000185854949 432539545 /nfs/dbraw/zinc/53/95/45/432539545.db2.gz LMSWTEVYHFCSSN-INIZCTEOSA-N 0 0 313.397 3.052 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000185856929 432539916 /nfs/dbraw/zinc/53/99/16/432539916.db2.gz DQZLVACQRYITNH-LLVKDONJSA-N 0 0 316.323 3.198 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000185896520 432543121 /nfs/dbraw/zinc/54/31/21/432543121.db2.gz QWQQNDFMVVRYCL-SFHVURJKSA-N 0 0 309.409 3.262 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000185915242 432544123 /nfs/dbraw/zinc/54/41/23/432544123.db2.gz SWPLQTVIKMNLEK-INIZCTEOSA-N 0 0 321.848 3.496 10 30 DGEERN C=CCOc1cccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000263466620 432546879 /nfs/dbraw/zinc/54/68/79/432546879.db2.gz CRYGLRKELCZZTQ-JQHSSLGASA-N 0 0 315.413 3.469 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1 ZINC000155272440 432547842 /nfs/dbraw/zinc/54/78/42/432547842.db2.gz AOUWZQAFYRBQAC-UHFFFAOYSA-N 0 0 321.380 3.366 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000273494399 432605773 /nfs/dbraw/zinc/60/57/73/432605773.db2.gz NYCDQPAEWQDLEC-GFCCVEGCSA-N 0 0 309.435 3.249 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NS(=O)(=O)/C=C/c2ccc(F)cc2)C1 ZINC000186582240 432611220 /nfs/dbraw/zinc/61/12/20/432611220.db2.gz KWGRQZREAPNGLX-XCUOTZKBSA-N 0 0 322.405 3.188 10 30 DGEERN CCc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1F ZINC000186629169 432615080 /nfs/dbraw/zinc/61/50/80/432615080.db2.gz ULYBQJACRJZUGD-UHFFFAOYSA-N 0 0 301.325 3.142 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2c(Cl)cccc2C#N)C1 ZINC000176953473 432569172 /nfs/dbraw/zinc/56/91/72/432569172.db2.gz JLTHHXIFPVLCOA-LBPRGKRZSA-N 0 0 306.793 3.380 10 30 DGEERN C[C@@H](CC#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000194746019 432573889 /nfs/dbraw/zinc/57/38/89/432573889.db2.gz KRFRIIFLCYDTNK-IUCAKERBSA-N 0 0 301.173 3.179 10 30 DGEERN Cc1cc(C#N)ccc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000186260277 432574801 /nfs/dbraw/zinc/57/48/01/432574801.db2.gz BRLGOCUMOTZVPH-LJQANCHMSA-N 0 0 308.381 3.146 10 30 DGEERN CC[C@H]1CN(Cc2ccc(C#N)cc2C)CCN1CC(F)F ZINC000186316002 432581497 /nfs/dbraw/zinc/58/14/97/432581497.db2.gz ZPJCKMNLKBKMTI-INIZCTEOSA-N 0 0 307.388 3.028 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194861714 432582484 /nfs/dbraw/zinc/58/24/84/432582484.db2.gz IVPOFJBXXLKVAV-JTQLQIEISA-N 0 0 302.708 3.277 10 30 DGEERN COc1cccc(C)c1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000195024582 432594849 /nfs/dbraw/zinc/59/48/49/432594849.db2.gz JDRIYPFUPMNJCY-ZDUSSCGKSA-N 0 0 310.353 3.281 10 30 DGEERN CCn1c(CN(CC#N)C2CCCC2)nc2cc(F)ccc21 ZINC000156655622 432603250 /nfs/dbraw/zinc/60/32/50/432603250.db2.gz QLWGTTYQJVRIJD-UHFFFAOYSA-N 0 0 300.381 3.463 10 30 DGEERN C=CC[C@@H](C)[C@H](C)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000186655588 432619226 /nfs/dbraw/zinc/61/92/26/432619226.db2.gz CGRVBJPIMGOPNA-OLZOCXBDSA-N 0 0 308.447 3.021 10 30 DGEERN C=CCCO[C@@H](C)c1nc(COc2ccc(OC)cc2)no1 ZINC000273640818 432619898 /nfs/dbraw/zinc/61/98/98/432619898.db2.gz BZJTXTTUFXKFTL-LBPRGKRZSA-N 0 0 304.346 3.311 10 30 DGEERN CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1F ZINC000177420859 432624221 /nfs/dbraw/zinc/62/42/21/432624221.db2.gz BAIKOQKOGMCBMI-CQSZACIVSA-N 0 0 303.312 3.056 10 30 DGEERN C[C@@H]1Sc2ccccc2N(C(=O)c2cc(C#N)cn2C)[C@H]1C ZINC000177555838 432636910 /nfs/dbraw/zinc/63/69/10/432636910.db2.gz XGQHVPZNRHBJKE-RYUDHWBXSA-N 0 0 311.410 3.426 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000186905080 432637026 /nfs/dbraw/zinc/63/70/26/432637026.db2.gz XYXLWGAKOIBAFG-UHFFFAOYSA-N 0 0 302.377 3.175 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000274340589 432654359 /nfs/dbraw/zinc/65/43/59/432654359.db2.gz MEELZCLZYOCQMW-JJRVBVJISA-N 0 0 305.418 3.490 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000274346192 432655416 /nfs/dbraw/zinc/65/54/16/432655416.db2.gz FICLHKBTNQYCRG-NVXWUHKLSA-N 0 0 315.413 3.089 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCOc2ccc(OC)cc21 ZINC000274437001 432666916 /nfs/dbraw/zinc/66/69/16/432666916.db2.gz IZJTWTZJABBSES-HNNXBMFYSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccncc1Br ZINC000178176634 432703069 /nfs/dbraw/zinc/70/30/69/432703069.db2.gz SJGUTNIESZSIMZ-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN C=CCCCN(C)C(=O)c1csc(Nc2ccccn2)n1 ZINC000265647533 432717797 /nfs/dbraw/zinc/71/77/97/432717797.db2.gz UGLOJQZOPIUHAX-UHFFFAOYSA-N 0 0 302.403 3.320 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000160509747 432725237 /nfs/dbraw/zinc/72/52/37/432725237.db2.gz VFNJKSOOKOSBRW-GOSISDBHSA-N 0 0 306.365 3.080 10 30 DGEERN Cc1csc([C@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187670045 432676118 /nfs/dbraw/zinc/67/61/18/432676118.db2.gz XHNWLXUSNCJSOC-XJKSGUPXSA-N 0 0 313.426 3.458 10 30 DGEERN N#Cc1ccc(C(=O)NCc2ccccc2OC2CCC2)cc1O ZINC000188436937 432725463 /nfs/dbraw/zinc/72/54/63/432725463.db2.gz VDGXIVDIIMIGLH-UHFFFAOYSA-N 0 0 322.364 3.125 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187756866 432683136 /nfs/dbraw/zinc/68/31/36/432683136.db2.gz NRSWQLPICTUKJU-DOTOQJQBSA-N 0 0 307.397 3.038 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000178567683 432753357 /nfs/dbraw/zinc/75/33/57/432753357.db2.gz JTJBMVTVIXANFX-UHFFFAOYSA-N 0 0 323.400 3.007 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1nc(C)sc1C ZINC000178575608 432754196 /nfs/dbraw/zinc/75/41/96/432754196.db2.gz QTVBCORXYNVUTO-UHFFFAOYSA-N 0 0 302.399 3.255 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000178666968 432764984 /nfs/dbraw/zinc/76/49/84/432764984.db2.gz WSNZPDLJNNXUAD-SFHVURJKSA-N 0 0 324.355 3.220 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000276046915 432769146 /nfs/dbraw/zinc/76/91/46/432769146.db2.gz XIHTZJAUVFQAGJ-SUMWQHHRSA-N 0 0 303.406 3.255 10 30 DGEERN CCC[C@@H](NC(=O)C1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000161305291 432771760 /nfs/dbraw/zinc/77/17/60/432771760.db2.gz JAQRTBMRXMMFQO-CYBMUJFWSA-N 0 0 308.422 3.087 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCN(CC)C(=O)[C@H](C)CC(=C)C ZINC000275586947 432733058 /nfs/dbraw/zinc/73/30/58/432733058.db2.gz ZZWGQYVYBZEMER-HZPDHXFCSA-N 0 0 308.466 3.156 10 30 DGEERN C=CC[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000188596874 432733626 /nfs/dbraw/zinc/73/36/26/432733626.db2.gz AIFAORKKVGJUOB-RTBURBONSA-N 0 0 322.408 3.421 10 30 DGEERN C=CCCCN(C)C(=O)NCCCOc1cccc(OC)c1 ZINC000265837095 432737339 /nfs/dbraw/zinc/73/73/39/432737339.db2.gz WBSNARDNKOIVNT-UHFFFAOYSA-N 0 0 306.406 3.072 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000188653895 432737575 /nfs/dbraw/zinc/73/75/75/432737575.db2.gz MIBJOKZDWQQIMH-UHFFFAOYSA-N 0 0 323.421 3.240 10 30 DGEERN N#CCN(C(=O)Cc1cnc2ccccc2c1)c1ccccc1 ZINC000188703925 432741099 /nfs/dbraw/zinc/74/10/99/432741099.db2.gz RAMFDCBHAGTIBZ-UHFFFAOYSA-N 0 0 301.349 3.334 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188731462 432742666 /nfs/dbraw/zinc/74/26/66/432742666.db2.gz UYBRKQKEGOIOIM-ZDUSSCGKSA-N 0 0 317.389 3.036 10 30 DGEERN Cc1cc(CCNC(=O)c2cccc(CC#N)c2)cc(C)c1O ZINC000188746970 432744372 /nfs/dbraw/zinc/74/43/72/432744372.db2.gz CVMUWYQTFUEIIB-UHFFFAOYSA-N 0 0 308.381 3.048 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000162472026 432825085 /nfs/dbraw/zinc/82/50/85/432825085.db2.gz WCFLTIATTOJYMV-UHFFFAOYSA-N 0 0 300.387 3.268 10 30 DGEERN COc1ccc(CSc2nncn2-c2ccccc2)cc1C#N ZINC000162524023 432826258 /nfs/dbraw/zinc/82/62/58/432826258.db2.gz YQIVPBZGRFVYAL-UHFFFAOYSA-N 0 0 322.393 3.440 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000277293602 432835103 /nfs/dbraw/zinc/83/51/03/432835103.db2.gz CZXXFKRGYXWFAP-UHFFFAOYSA-N 0 0 323.314 3.206 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000189483766 432788865 /nfs/dbraw/zinc/78/88/65/432788865.db2.gz FCBORZDHNIKUOZ-GFCCVEGCSA-N 0 0 317.414 3.177 10 30 DGEERN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000245771710 432862493 /nfs/dbraw/zinc/86/24/93/432862493.db2.gz RZETZFFNIBOVJR-IFXJQAMLSA-N 0 0 302.381 3.399 10 30 DGEERN CN(C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC000329986689 432886057 /nfs/dbraw/zinc/88/60/57/432886057.db2.gz SBMYEPBLDQVDIT-CFVMTHIKSA-N 0 0 319.380 3.036 10 30 DGEERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2C=CCC2)on1 ZINC000329978132 432886747 /nfs/dbraw/zinc/88/67/47/432886747.db2.gz GZJGECPXFWEJQZ-ILXRZTDVSA-N 0 0 321.396 3.208 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000278204485 432889290 /nfs/dbraw/zinc/88/92/90/432889290.db2.gz GBXSMPHSNUVODB-FVQBIDKESA-N 0 0 305.805 3.425 10 30 DGEERN CC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CCCO1 ZINC000330044924 432890224 /nfs/dbraw/zinc/89/02/24/432890224.db2.gz HWDZOJYATGIDON-YHUYYLMFSA-N 0 0 304.390 3.073 10 30 DGEERN CC(C)(C)n1cc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)cn1 ZINC000330051072 432890872 /nfs/dbraw/zinc/89/08/72/432890872.db2.gz MWKFIABPFVVLDE-LSDHHAIUSA-N 0 0 314.389 3.399 10 30 DGEERN COc1ccc(CSc2n[nH]c(-c3ccccn3)n2)cc1C#N ZINC000163041631 432841818 /nfs/dbraw/zinc/84/18/18/432841818.db2.gz ZKWQHYWHZDQQEB-UHFFFAOYSA-N 0 0 323.381 3.039 10 30 DGEERN C#CCC(CC#C)C(=O)NCCCSc1ccc(F)cc1 ZINC000277468472 432852367 /nfs/dbraw/zinc/85/23/67/432852367.db2.gz PMULMMYDNYPYBH-UHFFFAOYSA-N 0 0 303.402 3.087 10 30 DGEERN C#Cc1ccc(CNC(=O)NC[C@H](C)c2ncc(C)s2)cc1 ZINC000296638460 432924451 /nfs/dbraw/zinc/92/44/51/432924451.db2.gz MDOOCQKQKVOOQO-LBPRGKRZSA-N 0 0 313.426 3.036 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000289310188 432944268 /nfs/dbraw/zinc/94/42/68/432944268.db2.gz AMSWZBRXHYDWBM-UHFFFAOYSA-N 0 0 319.412 3.386 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296974205 432945043 /nfs/dbraw/zinc/94/50/43/432945043.db2.gz NLCVIIPNVLCVCN-VIFPVBQESA-N 0 0 305.325 3.130 10 30 DGEERN C=CCCCNC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000279226866 432947306 /nfs/dbraw/zinc/94/73/06/432947306.db2.gz YABKGCOKZAURPW-UHFFFAOYSA-N 0 0 308.451 3.217 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCSC(C)(C)CC2)cc1 ZINC000297012811 432948780 /nfs/dbraw/zinc/94/87/80/432948780.db2.gz VSTJMMOTQOBZIO-UHFFFAOYSA-N 0 0 302.443 3.095 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN1c1ccccc1 ZINC000330214162 432899021 /nfs/dbraw/zinc/89/90/21/432899021.db2.gz FYAIQJAABNTSOY-UAGQMJEPSA-N 0 0 302.418 3.163 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000278857663 432909860 /nfs/dbraw/zinc/90/98/60/432909860.db2.gz TZVLJWQXUBUCPS-HZPDHXFCSA-N 0 0 305.805 3.206 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2ccsc2)CC1 ZINC000278884253 432912547 /nfs/dbraw/zinc/91/25/47/432912547.db2.gz WQCRHCOXDGNXPJ-HZPDHXFCSA-N 0 0 305.443 3.435 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(COC)cc(C(=O)OC)c1 ZINC000297488114 432994915 /nfs/dbraw/zinc/99/49/15/432994915.db2.gz UCRIZQDFGBQJTO-UHFFFAOYSA-N 0 0 320.389 3.050 10 30 DGEERN C[C@@H]1Sc2ccccc2N(C(=O)c2ccnc(C#N)c2)[C@H]1C ZINC000193661744 288948692 /nfs/dbraw/zinc/94/86/92/288948692.db2.gz OGPOTFAUUOVRHL-RYUDHWBXSA-N 0 0 309.394 3.483 10 30 DGEERN C#CCC(C)(C)C(=O)O[C@@H]1CCc2cc(Br)cnc21 ZINC000290235276 433018699 /nfs/dbraw/zinc/01/86/99/433018699.db2.gz YCYMDLHGKDPUGR-GFCCVEGCSA-N 0 0 322.202 3.424 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000297979734 433038903 /nfs/dbraw/zinc/03/89/03/433038903.db2.gz UOJAKTHTVDJPGX-CYBMUJFWSA-N 0 0 322.836 3.284 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298127598 433051507 /nfs/dbraw/zinc/05/15/07/433051507.db2.gz NXAGHQYLMLCGGX-GJZGRUSLSA-N 0 0 301.390 3.102 10 30 DGEERN C=CC[C@H]1N(C(=O)NCc2nccn2CC)CCCC1(C)C ZINC000298167547 433051890 /nfs/dbraw/zinc/05/18/90/433051890.db2.gz QJSFFXGIXGVOJP-CQSZACIVSA-N 0 0 304.438 3.179 10 30 DGEERN C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333392919 433053459 /nfs/dbraw/zinc/05/34/59/433053459.db2.gz DIBIHKTWGAJXGC-OMNBBPDLSA-N 0 0 318.442 3.069 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CC)Cc1ccccc1Cl ZINC000298243406 433067966 /nfs/dbraw/zinc/06/79/66/433067966.db2.gz KIBWXBJUQFJBMW-UHFFFAOYSA-N 0 0 322.836 3.113 10 30 DGEERN C=CCNC(=O)c1ccc(NC[C@@H]2CCO[C@H](CC)C2)cc1 ZINC000419737031 433069432 /nfs/dbraw/zinc/06/94/32/433069432.db2.gz CDWHWYSGYGAXOU-RHSMWYFYSA-N 0 0 302.418 3.220 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000419911524 433079190 /nfs/dbraw/zinc/07/91/90/433079190.db2.gz CYOJXMZUQMKNJE-GFCCVEGCSA-N 0 0 313.184 3.380 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000298331884 433096469 /nfs/dbraw/zinc/09/64/69/433096469.db2.gz ZIGJBIVPDPETQC-CXAGYDPISA-N 0 0 321.852 3.387 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)[C@H](CC(C)C)N(C)C1=O ZINC000420097525 433110707 /nfs/dbraw/zinc/11/07/07/433110707.db2.gz CITILVLFICQXQM-IRXDYDNUSA-N 0 0 314.429 3.483 10 30 DGEERN N#Cc1c[nH]c(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1 ZINC000373797766 433164972 /nfs/dbraw/zinc/16/49/72/433164972.db2.gz AYZKEYLMXZWBHC-UHFFFAOYSA-N 0 0 324.771 3.150 10 30 DGEERN COc1cc(C)cc(N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000447171341 433170801 /nfs/dbraw/zinc/17/08/01/433170801.db2.gz GBHYLSDHUAXHGD-RDTXWAMCSA-N 0 0 317.433 3.167 10 30 DGEERN C=CCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000453417059 433172733 /nfs/dbraw/zinc/17/27/33/433172733.db2.gz XRDXZWRWLVOQNB-RKVPGOIHSA-N 0 0 316.449 3.332 10 30 DGEERN Cc1cc(Cn2cnc3c4ccccc4oc3c2=O)ccc1C#N ZINC000447299123 433181263 /nfs/dbraw/zinc/18/12/63/433181263.db2.gz OBGNGCUJUCIQIH-UHFFFAOYSA-N 0 0 315.332 3.371 10 30 DGEERN C=CCn1c(N2C[C@@H]3CCCC[C@H]3C2)nnc1[C@]1(C)CCCO1 ZINC000453436112 433181948 /nfs/dbraw/zinc/18/19/48/433181948.db2.gz HJESZENYYQLPTJ-MPGHIAIKSA-N 0 0 316.449 3.116 10 30 DGEERN C=CCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453442682 433185466 /nfs/dbraw/zinc/18/54/66/433185466.db2.gz PZNIHPCQVUFHJB-KDOFPFPSSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N(C)[C@H](C)CCSC)nnc1[C@@]1(C)CCCO1 ZINC000453441942 433185832 /nfs/dbraw/zinc/18/58/32/433185832.db2.gz OWKZBGCKDMPMMO-CZUORRHYSA-N 0 0 324.494 3.068 10 30 DGEERN C=CCn1c(N2CCc3ccccc3C2)nnc1[C@]1(C)CCCO1 ZINC000453444744 433190978 /nfs/dbraw/zinc/19/09/78/433190978.db2.gz SPMQKUYFBLEBDI-IBGZPJMESA-N 0 0 324.428 3.052 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453449699 433195429 /nfs/dbraw/zinc/19/54/29/433195429.db2.gz FNSWTHHEQNGXIZ-QAPCUYQASA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000453461310 433197173 /nfs/dbraw/zinc/19/71/73/433197173.db2.gz GGEJCGQQDVZQPV-KFWWJZLASA-N 0 0 302.422 3.085 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453466632 433200586 /nfs/dbraw/zinc/20/05/86/433200586.db2.gz OZOSUGBNCDTNBU-WMLDXEAASA-N 0 0 304.438 3.259 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1nnc(C(C)(C)C)s1 ZINC000280863809 433203653 /nfs/dbraw/zinc/20/36/53/433203653.db2.gz DRGKTUMVDJINFL-UHFFFAOYSA-N 0 0 307.341 3.026 10 30 DGEERN C=CCN(c1nnc([C@]2(C)CCCO2)n1CC(C)C)C1CC1 ZINC000453477101 433205472 /nfs/dbraw/zinc/20/54/72/433205472.db2.gz GZBKILSUOFVTLK-KRWDZBQOSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC000290916532 433205792 /nfs/dbraw/zinc/20/57/92/433205792.db2.gz PYZRNHIYSNLSAA-KOLCDFICSA-N 0 0 303.280 3.009 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC[C@](F)(c2ccccc2)C1)OCC ZINC000374606947 433235715 /nfs/dbraw/zinc/23/57/15/433235715.db2.gz WYSBYWYEBHZUNR-SJLPKXTDSA-N 0 0 305.393 3.455 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447717237 433261973 /nfs/dbraw/zinc/26/19/73/433261973.db2.gz DIOVFQUFGKCDDA-TVQRCGJNSA-N 0 0 319.298 3.368 10 30 DGEERN C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000453881996 433273446 /nfs/dbraw/zinc/27/34/46/433273446.db2.gz QRSFKNFUKNPCBF-UHFFFAOYSA-N 0 0 310.344 3.065 10 30 DGEERN C=CCN1CC[C@@H](Nc2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000281287029 433280387 /nfs/dbraw/zinc/28/03/87/433280387.db2.gz SJLMSLPQHDTZJJ-CQSZACIVSA-N 0 0 308.809 3.326 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000281342297 433290844 /nfs/dbraw/zinc/29/08/44/433290844.db2.gz CZBHIELUTWQZMN-LLVKDONJSA-N 0 0 302.399 3.311 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cc2n(n1)CCO2 ZINC000291627507 433292188 /nfs/dbraw/zinc/29/21/88/433292188.db2.gz AVFFAUSZPGUCQO-UHFFFAOYSA-N 0 0 311.385 3.380 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413864395 433299374 /nfs/dbraw/zinc/29/93/74/433299374.db2.gz BYVABJLESZIQHY-HOTGVXAUSA-N 0 0 317.408 3.155 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000425566985 433304113 /nfs/dbraw/zinc/30/41/13/433304113.db2.gz COJQIUVYFZNBNE-BBWFWOEESA-N 0 0 300.402 3.124 10 30 DGEERN CC#CCCNC(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC000425738713 433353192 /nfs/dbraw/zinc/35/31/92/433353192.db2.gz JLVSJPITMRNLRU-UHFFFAOYSA-N 0 0 308.809 3.296 10 30 DGEERN C=CCCCNC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C ZINC000448081440 433359867 /nfs/dbraw/zinc/35/98/67/433359867.db2.gz RUYIBACKVFUOSV-UHFFFAOYSA-N 0 0 320.343 3.453 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCO[C@H]1C=C ZINC000425852185 433362103 /nfs/dbraw/zinc/36/21/03/433362103.db2.gz IDMLSPRPYCRSOG-IRXDYDNUSA-N 0 0 306.450 3.355 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000425874718 433365909 /nfs/dbraw/zinc/36/59/09/433365909.db2.gz LOUNFVSJYALEBG-VGWMRTNUSA-N 0 0 308.466 3.434 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(C(C)(C)C)c1C ZINC000299454948 433368644 /nfs/dbraw/zinc/36/86/44/433368644.db2.gz XOSKYHAGHCBENL-UHFFFAOYSA-N 0 0 303.328 3.137 10 30 DGEERN C#CCCCCC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000374991599 433327249 /nfs/dbraw/zinc/32/72/49/433327249.db2.gz YMTTYJWPJRJTMX-INIZCTEOSA-N 0 0 322.412 3.329 10 30 DGEERN C=CCCCNC(=O)NCCCc1nc2c(s1)CCCC2 ZINC000447970817 433338735 /nfs/dbraw/zinc/33/87/35/433338735.db2.gz GXRYAPBOEARNGB-UHFFFAOYSA-N 0 0 307.463 3.220 10 30 DGEERN C=CCCCNC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000447973298 433338863 /nfs/dbraw/zinc/33/88/63/433338863.db2.gz BNBAJJJVBSNBQV-CQSZACIVSA-N 0 0 322.380 3.471 10 30 DGEERN C=CCCCNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000447969353 433339327 /nfs/dbraw/zinc/33/93/27/433339327.db2.gz WEXQTLIHIDQNIJ-UHFFFAOYSA-N 0 0 324.428 3.126 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)n1nc(C)cc1C ZINC000413991026 433341594 /nfs/dbraw/zinc/34/15/94/433341594.db2.gz UOHFTBQNQOXQTB-WMZOPIPTSA-N 0 0 311.429 3.365 10 30 DGEERN C=CCCCNC(=O)NC[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000448002546 433342787 /nfs/dbraw/zinc/34/27/87/433342787.db2.gz YARXMCGVAVOVMI-CQSZACIVSA-N 0 0 320.433 3.148 10 30 DGEERN C#CCCCC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000281845078 433401790 /nfs/dbraw/zinc/40/17/90/433401790.db2.gz XGSCARVYNSSWTF-ZDUSSCGKSA-N 0 0 322.202 3.192 10 30 DGEERN N#Cc1nccnc1Oc1ccc(NC(=O)c2ccsc2)cc1 ZINC000301178518 433443600 /nfs/dbraw/zinc/44/36/00/433443600.db2.gz HAAJQQAZXVXJGV-UHFFFAOYSA-N 0 0 322.349 3.454 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000426242715 433444731 /nfs/dbraw/zinc/44/47/31/433444731.db2.gz AQIWKKXSTNUCEO-INIZCTEOSA-N 0 0 302.418 3.302 10 30 DGEERN CCOc1ccccc1C1=CCN(c2nccnc2C#N)CC1 ZINC000301199491 433450694 /nfs/dbraw/zinc/45/06/94/433450694.db2.gz VVLYRPWRAUJQIF-UHFFFAOYSA-N 0 0 306.369 3.041 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2OC[C@@H]1C ZINC000175347637 290184755 /nfs/dbraw/zinc/18/47/55/290184755.db2.gz CJRZIMZUGZXFOK-KBPBESRZSA-N 0 0 322.364 3.140 10 30 DGEERN CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)n1C ZINC000448664536 433480719 /nfs/dbraw/zinc/48/07/19/433480719.db2.gz JKDMNJXKYDKVCD-UHFFFAOYSA-N 0 0 301.777 3.212 10 30 DGEERN N#Cc1cccc(NCc2cccc(COC3CCOCC3)c2)n1 ZINC000301267529 433480881 /nfs/dbraw/zinc/48/08/81/433480881.db2.gz INGRTOSYWVVAAQ-UHFFFAOYSA-N 0 0 323.396 3.261 10 30 DGEERN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000292151571 433482507 /nfs/dbraw/zinc/48/25/07/433482507.db2.gz DTZYHMHBVCFUOC-HNNXBMFYSA-N 0 0 316.445 3.240 10 30 DGEERN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C#N)n1C ZINC000448669372 433482981 /nfs/dbraw/zinc/48/29/81/433482981.db2.gz XDDPYUPZRLOKQR-SNVBAGLBSA-N 0 0 303.312 3.008 10 30 DGEERN C=CCC1(c2nc([C@H]3CC(=O)N(CC)C3)no2)CCCCC1 ZINC000351446490 433510931 /nfs/dbraw/zinc/51/09/31/433510931.db2.gz USGJDSJWPPFFRE-ZDUSSCGKSA-N 0 0 303.406 3.183 10 30 DGEERN CN(C)c1cc(CNc2c(C#N)cnc3ccccc32)ccn1 ZINC000301349859 433517250 /nfs/dbraw/zinc/51/72/50/433517250.db2.gz MGKJZJOPGZQMOP-UHFFFAOYSA-N 0 0 303.369 3.180 10 30 DGEERN C=CCn1c(-c2ccccc2F)nnc1N1CCS[C@@H](C)C1 ZINC000282172182 433521040 /nfs/dbraw/zinc/52/10/40/433521040.db2.gz DSCXOCVDVKMRKW-LBPRGKRZSA-N 0 0 318.421 3.212 10 30 DGEERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)n1C ZINC000448735900 433522307 /nfs/dbraw/zinc/52/23/07/433522307.db2.gz KWLUNTLXGDWISG-UHFFFAOYSA-N 0 0 321.302 3.188 10 30 DGEERN CCN(C(=O)c1ccc(C#N)n1C)[C@H](C)c1cccc(OC)c1 ZINC000448695036 433499011 /nfs/dbraw/zinc/49/90/11/433499011.db2.gz SRKUTGLJKUDJDT-CYBMUJFWSA-N 0 0 311.385 3.129 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000426472154 433505040 /nfs/dbraw/zinc/50/50/40/433505040.db2.gz YTWIFPJTXSOEIT-USXIJHARSA-N 0 0 301.430 3.450 10 30 DGEERN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(C#N)n2C)c1 ZINC000448710694 433506719 /nfs/dbraw/zinc/50/67/19/433506719.db2.gz DZCLPZXFPCAUEG-CYBMUJFWSA-N 0 0 311.385 3.175 10 30 DGEERN C[C@@H](C#N)CN(C)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455704212 433549881 /nfs/dbraw/zinc/54/98/81/433549881.db2.gz AAYYIPSKDKQVSN-LBPRGKRZSA-N 0 0 303.410 3.091 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)c1ccnn1C ZINC000421430986 433564476 /nfs/dbraw/zinc/56/44/76/433564476.db2.gz SOIOLPLFQPNOKR-LLVKDONJSA-N 0 0 323.849 3.453 10 30 DGEERN C=CCCc1ccccc1NC(=O)C1(COC)CCOCC1 ZINC000362193121 433574490 /nfs/dbraw/zinc/57/44/90/433574490.db2.gz XTSWRFYULLVPNN-UHFFFAOYSA-N 0 0 303.402 3.187 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000292574714 433579817 /nfs/dbraw/zinc/57/98/17/433579817.db2.gz BXLHDXWFMWTICQ-UHFFFAOYSA-N 0 0 303.406 3.393 10 30 DGEERN COC(=O)CC1(CC(=O)Nc2ccc(C#N)c(F)c2)CCCC1 ZINC000362302471 433631693 /nfs/dbraw/zinc/63/16/93/433631693.db2.gz XVNUIXSCTWSBRA-UHFFFAOYSA-N 0 0 318.348 3.149 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000448971290 433636273 /nfs/dbraw/zinc/63/62/73/433636273.db2.gz TXVZOGJFFXDBTP-IRXDYDNUSA-N 0 0 309.450 3.023 10 30 DGEERN C=CCn1c(C)cc(C(=O)CN(C[C@@H](C)OC)C(C)C)c1C ZINC000362255341 433605983 /nfs/dbraw/zinc/60/59/83/433605983.db2.gz XCYGAUYBMPLHFO-OAHLLOKOSA-N 0 0 306.450 3.219 10 30 DGEERN C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cn(-c2ccccc2)nn1 ZINC000301664426 433664289 /nfs/dbraw/zinc/66/42/89/433664289.db2.gz NTWOSVJMMYLFIE-NSHDSACASA-N 0 0 324.775 3.360 10 30 DGEERN C[C@@H](Nc1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1 ZINC000301667778 433665135 /nfs/dbraw/zinc/66/51/35/433665135.db2.gz PBJPUADEKBDFLB-GFCCVEGCSA-N 0 0 307.332 3.451 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000293238881 433667551 /nfs/dbraw/zinc/66/75/51/433667551.db2.gz FFAPUDHWYJCIIS-GXSJLCMTSA-N 0 0 314.838 3.015 10 30 DGEERN C=C[C@@H](CC(=O)Nc1cccnc1C(=O)OC)c1ccccc1 ZINC000427329425 433688412 /nfs/dbraw/zinc/68/84/12/433688412.db2.gz SAEMSDDAYDDDLK-ZDUSSCGKSA-N 0 0 310.353 3.167 10 30 DGEERN C=CCC1(CNC(=O)c2cc(-n3ccnc3)ccn2)CCCC1 ZINC000456488924 433689372 /nfs/dbraw/zinc/68/93/72/433689372.db2.gz SPMVAUCILFQGAJ-UHFFFAOYSA-N 0 0 310.401 3.134 10 30 DGEERN C=CCC1(CNC(=O)[C@H](C)NC(=O)c2ccccc2)CCCC1 ZINC000456490792 433690551 /nfs/dbraw/zinc/69/05/51/433690551.db2.gz YBTWUGNWOUOVIY-HNNXBMFYSA-N 0 0 314.429 3.058 10 30 DGEERN COc1ccccc1O[C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000376197447 433692147 /nfs/dbraw/zinc/69/21/47/433692147.db2.gz FTYPUKGGDZAWFT-OAHLLOKOSA-N 0 0 309.369 3.010 10 30 DGEERN CSc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1[N+](=O)[O-] ZINC000362404625 433698113 /nfs/dbraw/zinc/69/81/13/433698113.db2.gz UDVKEIMCCFCDEG-UHFFFAOYSA-N 0 0 319.386 3.083 10 30 DGEERN CC(C)[C@@H](Nc1cccc(C#N)n1)c1nc(-c2cccnc2)no1 ZINC000301813743 433736961 /nfs/dbraw/zinc/73/69/61/433736961.db2.gz CJYNYCFFNCNLAU-OAHLLOKOSA-N 0 0 320.356 3.207 10 30 DGEERN C=CCCCNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376498153 433756126 /nfs/dbraw/zinc/75/61/26/433756126.db2.gz STLPGZXQLDFANH-UHFFFAOYSA-N 0 0 305.397 3.014 10 30 DGEERN C=CCC[C@@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)OCC ZINC000456631528 433756971 /nfs/dbraw/zinc/75/69/71/433756971.db2.gz SJJWVIIOSMMUQY-MNDMWVCDSA-N 0 0 319.376 3.243 10 30 DGEERN Cc1cc(C#N)cc(NCC2(CCOCc3ccccc3)CC2)n1 ZINC000342887178 433767452 /nfs/dbraw/zinc/76/74/52/433767452.db2.gz NRBIMTPCOFPDEY-UHFFFAOYSA-N 0 0 321.424 4.061 10 30 DGEERN Cc1cc(NCc2cccc(Cn3ccnc3)c2)c(C#N)c(C)n1 ZINC000301784752 433724274 /nfs/dbraw/zinc/72/42/74/433724274.db2.gz OLOOHQGFPVEBBH-UHFFFAOYSA-N 0 0 317.396 3.427 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339783994 433783328 /nfs/dbraw/zinc/78/33/28/433783328.db2.gz SUFGGZMIEORIQR-ZWKOTPCHSA-N 0 0 314.335 3.144 10 30 DGEERN C[C@H](Nc1ccc(C#N)nn1)c1cccc(Br)c1 ZINC000301908056 433786118 /nfs/dbraw/zinc/78/61/18/433786118.db2.gz DYZRZXOFEDJDLY-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN C=C[C@@H](C)NC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000362617033 433788405 /nfs/dbraw/zinc/78/84/05/433788405.db2.gz YWXLUOVTOOTRDX-SNVBAGLBSA-N 0 0 303.387 3.200 10 30 DGEERN CC1(C#N)CCN(C(=O)CCCOc2ccccc2F)CC1 ZINC000356971225 433794199 /nfs/dbraw/zinc/79/41/99/433794199.db2.gz JJPHSOYVHZHSON-UHFFFAOYSA-N 0 0 304.365 3.137 10 30 DGEERN N#Cc1ccc(N(Cc2c(F)cccc2Cl)C2CC2)nn1 ZINC000301937885 433804572 /nfs/dbraw/zinc/80/45/72/433804572.db2.gz SEWMOKBECMWECK-UHFFFAOYSA-N 0 0 302.740 3.310 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000456775263 433819964 /nfs/dbraw/zinc/81/99/64/433819964.db2.gz KSFZIOLEEBFUGH-NVXWUHKLSA-N 0 0 319.445 3.411 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)c(CC(C)C)c(C)n1 ZINC000435589912 433876718 /nfs/dbraw/zinc/87/67/18/433876718.db2.gz VSFHVIMIQVEDMS-DOTOQJQBSA-N 0 0 303.450 3.685 10 30 DGEERN C=CC[C@@H]1N(C(=O)Nc2nccc(N(C)C)n2)CCCC1(C)C ZINC000432410677 433826715 /nfs/dbraw/zinc/82/67/15/433826715.db2.gz QUJKVTHVCSWQLQ-ZDUSSCGKSA-N 0 0 317.437 3.141 10 30 DGEERN C=C(CC)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456814930 433838737 /nfs/dbraw/zinc/83/87/37/433838737.db2.gz WWXSFHWNRZDCEV-UHFFFAOYSA-N 0 0 302.252 3.310 10 30 DGEERN C#CCOc1ccccc1NCc1cc(-c2cccnc2)n[nH]1 ZINC000376939157 433840115 /nfs/dbraw/zinc/84/01/15/433840115.db2.gz JIDVZYXLZITRAM-UHFFFAOYSA-N 0 0 304.353 3.096 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449902041 433863237 /nfs/dbraw/zinc/86/32/37/433863237.db2.gz ITOYYJJNIKKCOJ-LSDHHAIUSA-N 0 0 307.397 3.223 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000362819015 433871531 /nfs/dbraw/zinc/87/15/31/433871531.db2.gz WXRIUSNMYPLBLS-HZPDHXFCSA-N 0 0 305.805 3.206 10 30 DGEERN C=CCC(F)(F)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000293875345 433905109 /nfs/dbraw/zinc/90/51/09/433905109.db2.gz SXEPPTQJVNUFTN-ZDUSSCGKSA-N 0 0 315.747 3.451 10 30 DGEERN C=CCC1(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)CCC1 ZINC000456925833 433894807 /nfs/dbraw/zinc/89/48/07/433894807.db2.gz BWCHGUICUMGFMM-UHFFFAOYSA-N 0 0 318.383 3.218 10 30 DGEERN C=CCSCCNC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000357367642 433971119 /nfs/dbraw/zinc/97/11/19/433971119.db2.gz CNKHDNBMJNRLGA-UHFFFAOYSA-N 0 0 321.421 3.068 10 30 DGEERN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccn1 ZINC000357423645 434005884 /nfs/dbraw/zinc/00/58/84/434005884.db2.gz GSXUSECEKPHQTA-UHFFFAOYSA-N 0 0 315.760 3.403 10 30 DGEERN CC(C)c1nnc([C@@H]2CC23CCN(c2cccnc2C#N)CC3)o1 ZINC000378021615 434059515 /nfs/dbraw/zinc/05/95/15/434059515.db2.gz FLVZNLDHOONYSB-ZDUSSCGKSA-N 0 0 323.400 3.234 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1nc(C)sc1C ZINC000285957531 434120439 /nfs/dbraw/zinc/12/04/39/434120439.db2.gz VUFKJTMNFFCIGV-MRXNPFEDSA-N 0 0 312.438 3.053 10 30 DGEERN Cn1cc(NC(=O)N2CCC[C@@H]2C2CCCC2)c(C2CC2)n1 ZINC000329629185 294255866 /nfs/dbraw/zinc/25/58/66/294255866.db2.gz QFSDJIJUGSKBCJ-OAHLLOKOSA-N 0 0 302.422 3.498 10 30 DGEERN C=CCSCCNC(=O)Cc1sccc1Br ZINC000294814729 434147549 /nfs/dbraw/zinc/14/75/49/434147549.db2.gz VNUFJUNPOCNCGP-UHFFFAOYSA-N 0 0 320.277 3.089 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000363818619 434155145 /nfs/dbraw/zinc/15/51/45/434155145.db2.gz HYSCJMMJHXDXMY-HNNXBMFYSA-N 0 0 315.413 3.283 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC000295059875 434170507 /nfs/dbraw/zinc/17/05/07/434170507.db2.gz CCYNXAGWQHBMMZ-GDBMZVCRSA-N 0 0 312.369 3.053 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1O)CCCC2 ZINC000436956237 434182555 /nfs/dbraw/zinc/18/25/55/434182555.db2.gz LJWFMYGBFHSSMQ-UHFFFAOYSA-N 0 0 313.319 3.462 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000286107276 434168073 /nfs/dbraw/zinc/16/80/73/434168073.db2.gz VXNXUHNSTNZNGW-BXUZGUMPSA-N 0 0 315.398 3.125 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cn(C)nc1C(C)(C)C ZINC000286410683 434263968 /nfs/dbraw/zinc/26/39/68/434263968.db2.gz ASNAMKPDHNEPKJ-MRXNPFEDSA-N 0 0 323.440 3.082 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC000437485932 434270842 /nfs/dbraw/zinc/27/08/42/434270842.db2.gz ZYVCIPPWYJIXBI-DOTOQJQBSA-N 0 0 303.402 3.105 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CC1CC(OC(C)(C)C)C1 ZINC000437501165 434273306 /nfs/dbraw/zinc/27/33/06/434273306.db2.gz SEZHSAVELFMQNR-KXJMLMMSSA-N 0 0 309.450 3.068 10 30 DGEERN COc1cccc(C2=CCN(C(=O)c3sccc3C#N)C2)c1 ZINC000378610060 434235404 /nfs/dbraw/zinc/23/54/04/434235404.db2.gz VLYWREUMAFHLPJ-UHFFFAOYSA-N 0 0 310.378 3.168 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000364549442 434278964 /nfs/dbraw/zinc/27/89/64/434278964.db2.gz WPACFYRVGOEENZ-ZBFHGGJFSA-N 0 0 318.465 3.365 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC000437528059 434283250 /nfs/dbraw/zinc/28/32/50/434283250.db2.gz UBXPBEOCBQDHFE-SUMWQHHRSA-N 0 0 307.821 3.288 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328644474 434292394 /nfs/dbraw/zinc/29/23/94/434292394.db2.gz GPZJMRPHULAGFD-SMDDNHRTSA-N 0 0 320.437 3.214 10 30 DGEERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CCO1 ZINC000328657937 434295706 /nfs/dbraw/zinc/29/57/06/434295706.db2.gz QBRLVXKGTOZFEL-DMRZNYOFSA-N 0 0 304.390 3.073 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000365712448 434307266 /nfs/dbraw/zinc/30/72/66/434307266.db2.gz OTWMJABBGFSMRP-IYBDPMFKSA-N 0 0 302.374 3.037 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCSCC1 ZINC000287221615 434310212 /nfs/dbraw/zinc/31/02/12/434310212.db2.gz FMHGXZOKUCYEPM-QGZVFWFLSA-N 0 0 316.470 3.063 10 30 DGEERN CC(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000328889304 434325784 /nfs/dbraw/zinc/32/57/84/434325784.db2.gz QSJUQBCHODLPSQ-BJJXKVORSA-N 0 0 307.438 3.166 10 30 DGEERN C#Cc1ccc(CNC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000295451964 434366083 /nfs/dbraw/zinc/36/60/83/434366083.db2.gz MEBZLCRNJQLSAR-UHFFFAOYSA-N 0 0 312.438 3.281 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCc1nccs1 ZINC000287453895 434367007 /nfs/dbraw/zinc/36/70/07/434367007.db2.gz RSYFJYBDKGFZGM-MRXNPFEDSA-N 0 0 312.438 3.217 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000287474844 434370180 /nfs/dbraw/zinc/37/01/80/434370180.db2.gz GALJPHKHKBYUTO-UHFFFAOYSA-N 0 0 311.425 3.043 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCCC1(C)C)C2 ZINC000329256146 434381432 /nfs/dbraw/zinc/38/14/32/434381432.db2.gz DNQOKJYXMGTJGZ-CYBMUJFWSA-N 0 0 318.465 3.284 10 30 DGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCc2n[nH]nc2C1 ZINC000329317501 434389751 /nfs/dbraw/zinc/38/97/51/434389751.db2.gz HVTXHUUJVXFPPY-IHRRRGAJSA-N 0 0 302.422 3.083 10 30 DGEERN N#CC1CCC(CNC(=O)COCc2cccc(Cl)c2)CC1 ZINC000457776910 434342201 /nfs/dbraw/zinc/34/22/01/434342201.db2.gz MUQMWLQIUJPKTQ-UHFFFAOYSA-N 0 0 320.820 3.303 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000437811503 434343390 /nfs/dbraw/zinc/34/33/90/434343390.db2.gz RKQFALHYICWGQN-UNEWFSDZSA-N 0 0 320.408 3.476 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 ZINC000450696294 434349163 /nfs/dbraw/zinc/34/91/63/434349163.db2.gz KWSMUIZGWDYJOD-VIFPVBQESA-N 0 0 320.780 3.372 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1[nH]ccc1C1CC1 ZINC000457792630 434349407 /nfs/dbraw/zinc/34/94/07/434349407.db2.gz FHNDAUPSPHNMRY-UHFFFAOYSA-N 0 0 314.385 3.196 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(C)CCC(C)CC1 ZINC000437844581 434352196 /nfs/dbraw/zinc/35/21/96/434352196.db2.gz VCAKZYOLPBSUQL-GARNVTTQSA-N 0 0 308.466 3.483 10 30 DGEERN C#CCCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287404055 434354491 /nfs/dbraw/zinc/35/44/91/434354491.db2.gz OEMCNSIBUJGFJN-NSHDSACASA-N 0 0 301.312 3.115 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000438073979 434394331 /nfs/dbraw/zinc/39/43/31/434394331.db2.gz LXIGXGSYJXUVKJ-JENIJYKNSA-N 0 0 318.461 3.500 10 30 DGEERN C[C@@H]1c2ccccc2CN1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000329352809 434396627 /nfs/dbraw/zinc/39/66/27/434396627.db2.gz XSEPXZCVZWZNGA-KGLIPLIRSA-N 0 0 310.401 3.251 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000287602425 434409881 /nfs/dbraw/zinc/40/98/81/434409881.db2.gz YVVBTFXFQCKHBS-FUHWJXTLSA-N 0 0 321.424 3.419 10 30 DGEERN C=CC[NH+]1CCC(NC(=O)N2CCc3cc(C)c(C)cc32)CC1 ZINC000287766398 434448383 /nfs/dbraw/zinc/44/83/83/434448383.db2.gz QAXIOWAATYUBFB-UHFFFAOYSA-N 0 0 313.445 3.026 10 30 DGEERN C=C(CNc1cc(C)nc(-c2ccccn2)n1)c1ccccc1 ZINC000340913468 434428566 /nfs/dbraw/zinc/42/85/66/434428566.db2.gz MMYCGBQYJNBQTK-UHFFFAOYSA-N 0 0 302.381 3.972 10 30 DGEERN Cc1noc(C)c1[C@H](C)CNC(=O)C[C@H]1CCCCNC1=O ZINC000329563433 434433613 /nfs/dbraw/zinc/43/36/13/434433613.db2.gz RZMZVVLUYGDRPZ-ZWNOBZJWSA-N 0 0 307.394 3.498 10 30 DGEERN Cc1nnccc1NC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329595800 434439342 /nfs/dbraw/zinc/43/93/42/434439342.db2.gz BYSDYNYIGKWKOU-PWSUYJOCSA-N 0 0 316.327 3.383 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000417620922 434466815 /nfs/dbraw/zinc/46/68/15/434466815.db2.gz DLZZSPCQFFRCRC-LLVKDONJSA-N 0 0 303.280 3.094 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)s1 ZINC000417620609 434469693 /nfs/dbraw/zinc/46/96/93/434469693.db2.gz DGMMMAINFQGSOO-MRVPVSSYSA-N 0 0 304.209 3.020 10 30 DGEERN CC(C)C(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000438390155 434471653 /nfs/dbraw/zinc/47/16/53/434471653.db2.gz GWGUALJKDQEUAT-KRWDZBQOSA-N 0 0 310.438 3.046 10 30 DGEERN C=CCOc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000438373239 434472569 /nfs/dbraw/zinc/47/25/69/434472569.db2.gz JFPLIJSCLPZURD-RRFJBIMHSA-N 0 0 305.418 3.258 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000287888528 434474564 /nfs/dbraw/zinc/47/45/64/434474564.db2.gz ZVBOAHKRODERGH-SECBINFHSA-N 0 0 322.714 3.417 10 30 DGEERN CN(Cc1cccc(Br)c1)c1ccncc1C#N ZINC000399486157 434478552 /nfs/dbraw/zinc/47/85/52/434478552.db2.gz DKJADRKOSTWFCR-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN C=CCCOCCCCC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000438508365 434496911 /nfs/dbraw/zinc/49/69/11/434496911.db2.gz XUCOWJOZNRPTPD-GOSISDBHSA-N 0 0 311.466 3.197 10 30 DGEERN C=CCCCCNC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000366737225 434499167 /nfs/dbraw/zinc/49/91/67/434499167.db2.gz PXEQRICYHDJRDX-DLBZAZTESA-N 0 0 302.418 3.420 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458025505 434449677 /nfs/dbraw/zinc/44/96/77/434449677.db2.gz KMIJDENJUAHCQE-SJORKVTESA-N 0 0 307.397 3.305 10 30 DGEERN CC(C)(NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000398072960 434451059 /nfs/dbraw/zinc/45/10/59/434451059.db2.gz NFOKGXXDLBQSBJ-UHFFFAOYSA-N 0 0 312.822 3.069 10 30 DGEERN CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000523417492 294945494 /nfs/dbraw/zinc/94/54/94/294945494.db2.gz DTJNUIMDUGGWIZ-WBMJQRKESA-N 0 0 324.421 3.287 10 30 DGEERN CC1(C)CCC[C@H](CC(=O)Nc2nc3n(c2C#N)CCS3)C1 ZINC000408002110 434535538 /nfs/dbraw/zinc/53/55/38/434535538.db2.gz SOIFPEBNLAXNBI-LLVKDONJSA-N 0 0 318.446 3.405 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367236888 434542835 /nfs/dbraw/zinc/54/28/35/434542835.db2.gz JEZOEPKTJSGUOR-IBGZPJMESA-N 0 0 316.445 3.078 10 30 DGEERN C#Cc1ccc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000367355273 434546801 /nfs/dbraw/zinc/54/68/01/434546801.db2.gz BCGJSAMKMPLKJL-HNNXBMFYSA-N 0 0 302.381 3.099 10 30 DGEERN C=CCCCCCCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000367877524 434559012 /nfs/dbraw/zinc/55/90/12/434559012.db2.gz ZVRZURVXNCCMKR-SFHVURJKSA-N 0 0 324.465 3.102 10 30 DGEERN CC1(C)CN(C(=O)NCC2(CC#N)CC2)CC[C@@H]1C(F)(F)F ZINC000408385332 434567701 /nfs/dbraw/zinc/56/77/01/434567701.db2.gz LHGYULZXBPSOED-NSHDSACASA-N 0 0 317.355 3.300 10 30 DGEERN Cn1cccc1[C@@H]1CCCCN1C(=O)NCC(C)(C)CC#N ZINC000459254363 434562434 /nfs/dbraw/zinc/56/24/34/434562434.db2.gz FLAZWVCTNGKSHV-HNNXBMFYSA-N 0 0 302.422 3.202 10 30 DGEERN Cc1nnc([C@H]2CC23CCN(c2nc(C)cc(C)c2C#N)CC3)o1 ZINC000369172771 434589757 /nfs/dbraw/zinc/58/97/57/434589757.db2.gz YBRKNRKQOZMQBH-OAHLLOKOSA-N 0 0 323.400 3.036 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000369539657 434594994 /nfs/dbraw/zinc/59/49/94/434594994.db2.gz FWFQJQYOGNWIPF-ZHALLVOQSA-N 0 0 317.404 3.297 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCc2cncnc2C1 ZINC000329267756 295382856 /nfs/dbraw/zinc/38/28/56/295382856.db2.gz GHQIOLSLDKUUIN-SQWLQELKSA-N 0 0 314.433 3.108 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC2(CCC2)C1 ZINC000424121035 434627603 /nfs/dbraw/zinc/62/76/03/434627603.db2.gz HDXVCBYJSRSQDZ-ZDUSSCGKSA-N 0 0 304.463 3.413 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCO[C@@H](CCC)C1 ZINC000424125456 434630069 /nfs/dbraw/zinc/63/00/69/434630069.db2.gz OAYDCUVHTTTZAW-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(CCC#N)CC1CC1 ZINC000424127793 434631189 /nfs/dbraw/zinc/63/11/89/434631189.db2.gz QSNDCDJGEPXQGL-CQSZACIVSA-N 0 0 317.462 3.162 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)CCCCCO ZINC000424255741 434665846 /nfs/dbraw/zinc/66/58/46/434665846.db2.gz UVWLMMYBAYYTJX-AWEZNQCLSA-N 0 0 324.494 3.021 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC[C@@H](OC)C1 ZINC000424260689 434668276 /nfs/dbraw/zinc/66/82/76/434668276.db2.gz ZEUCQAAGCHIJIB-KGLIPLIRSA-N 0 0 322.478 3.038 10 30 DGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(C)(C)C1CC1 ZINC000360781018 434688806 /nfs/dbraw/zinc/68/88/06/434688806.db2.gz NGWRCBVGXOBEKA-GOSISDBHSA-N 0 0 322.449 3.191 10 30 DGEERN C=C(C)CCNC(=O)Cc1cc(Br)ccc1OC ZINC000452721230 434689429 /nfs/dbraw/zinc/68/94/29/434689429.db2.gz ZBAGACVEGBTJBR-UHFFFAOYSA-N 0 0 312.207 3.083 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440852535 434749777 /nfs/dbraw/zinc/74/97/77/434749777.db2.gz IEQDQCCPOSPKRQ-WBVHZDCISA-N 0 0 312.417 3.115 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC000424596648 434752828 /nfs/dbraw/zinc/75/28/28/434752828.db2.gz PDBJSSGUPGOWQR-KBPBESRZSA-N 0 0 304.365 3.069 10 30 DGEERN C=CCC1(c2nc(-c3ccc(O)c(F)c3)no2)CCOCC1 ZINC000424360763 434712360 /nfs/dbraw/zinc/71/23/60/434712360.db2.gz SZSQZJOVDOXZIO-UHFFFAOYSA-N 0 0 304.321 3.206 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nnc(CC)o1 ZINC000411187610 434741224 /nfs/dbraw/zinc/74/12/24/434741224.db2.gz BLHWOOZYNJNECE-GFCCVEGCSA-N 0 0 316.361 3.289 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1csnn1 ZINC000411195857 434742843 /nfs/dbraw/zinc/74/28/43/434742843.db2.gz SZUQSFIPSIJWQF-LLVKDONJSA-N 0 0 304.375 3.196 10 30 DGEERN C#CCCNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000371901107 434768597 /nfs/dbraw/zinc/76/85/97/434768597.db2.gz NTZGMXTYGMPOAF-CQSZACIVSA-N 0 0 321.218 3.319 10 30 DGEERN C=CCC1(C(=O)N[C@@H](CC)Cc2ccccc2)CCOCC1 ZINC000424651864 434768864 /nfs/dbraw/zinc/76/88/64/434768864.db2.gz ZILOTOOPMIICEZ-KRWDZBQOSA-N 0 0 301.430 3.497 10 30 DGEERN C=CCC1(C(=O)NCc2ccccc2OCC)CCOCC1 ZINC000424614339 434759344 /nfs/dbraw/zinc/75/93/44/434759344.db2.gz WFNGEJUHDIXTBI-UHFFFAOYSA-N 0 0 303.402 3.074 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000452941807 434760683 /nfs/dbraw/zinc/76/06/83/434760683.db2.gz GSTRYVNVOQSGMR-KURKYZTESA-N 0 0 301.430 3.351 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000424675314 434776121 /nfs/dbraw/zinc/77/61/21/434776121.db2.gz MPNACAPHRWZWMT-UHFFFAOYSA-N 0 0 320.408 3.085 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H](CC(C)C)c2cccs2)nn1 ZINC000424721220 434787404 /nfs/dbraw/zinc/78/74/04/434787404.db2.gz LOYICEFVTUOIBX-ZDUSSCGKSA-N 0 0 318.446 3.433 10 30 DGEERN C=CCC1(C(=O)NC[C@H](C)Oc2ccc(F)cc2)CCOCC1 ZINC000424699073 434782775 /nfs/dbraw/zinc/78/27/75/434782775.db2.gz VEGIIQUDGBPNEL-AWEZNQCLSA-N 0 0 321.392 3.082 10 30 DGEERN C=CCC1(C(=O)NC[C@H](OCC)c2ccccc2)CCOCC1 ZINC000424806500 434806762 /nfs/dbraw/zinc/80/67/62/434806762.db2.gz IJYSIFSGHPGIKZ-KRWDZBQOSA-N 0 0 317.429 3.253 10 30 DGEERN COC(=O)[C@@H]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000361190042 434826625 /nfs/dbraw/zinc/82/66/25/434826625.db2.gz XGUBYGPZVGVKFK-CQSZACIVSA-N 0 0 323.396 3.113 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCC(C)C)c1 ZINC000424899379 434827053 /nfs/dbraw/zinc/82/70/53/434827053.db2.gz CPYWXTOTDNKZSH-RDJZCZTQSA-N 0 0 303.402 3.042 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCOc1ccccc1C(C)C ZINC000424935730 434830021 /nfs/dbraw/zinc/83/00/21/434830021.db2.gz YSCKITVYIAQCME-RDJZCZTQSA-N 0 0 317.429 3.286 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)ccc1Br ZINC000424935236 434830155 /nfs/dbraw/zinc/83/01/55/434830155.db2.gz XISJCLYIXRTJBQ-FZMZJTMJSA-N 0 0 324.218 3.078 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424932865 434830290 /nfs/dbraw/zinc/83/02/90/434830290.db2.gz OKZZHRJTAKVZJD-CYDGBPFRSA-N 0 0 305.340 3.062 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@@H](C(C)C)C2)cc1OC ZINC000446396715 434860941 /nfs/dbraw/zinc/86/09/41/434860941.db2.gz LQBVFYKUCYFOEJ-OAHLLOKOSA-N 0 0 303.402 3.378 10 30 DGEERN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1ccncc1C#N ZINC000553226118 434883884 /nfs/dbraw/zinc/88/38/84/434883884.db2.gz AGMQTXGQKCEUBT-INIZCTEOSA-N 0 0 312.394 3.138 10 30 DGEERN Cc1cc(C#N)nc(N(C)CCCOc2ccc(Cl)cc2)n1 ZINC000553291883 434885831 /nfs/dbraw/zinc/88/58/31/434885831.db2.gz NIOMDJIJDJALNL-UHFFFAOYSA-N 0 0 316.792 3.215 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000462534830 434918722 /nfs/dbraw/zinc/91/87/22/434918722.db2.gz GLUUNDQDTAGICM-UHFFFAOYSA-N 0 0 300.406 3.451 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1cc(C)cc(C)c1 ZINC000521185298 434873092 /nfs/dbraw/zinc/87/30/92/434873092.db2.gz MDAIAFRCPDVHIO-UHFFFAOYSA-N 0 0 301.308 3.259 10 30 DGEERN C=CCCCCCNC(=O)c1sc(-c2ncccn2)nc1C ZINC000573102722 434874712 /nfs/dbraw/zinc/87/47/12/434874712.db2.gz XNLPDCVDIPCQEA-UHFFFAOYSA-N 0 0 316.430 3.385 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000554822961 434948736 /nfs/dbraw/zinc/94/87/36/434948736.db2.gz CWHQSOAYGLPPES-GOSISDBHSA-N 0 0 313.401 3.491 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000555235815 434967408 /nfs/dbraw/zinc/96/74/08/434967408.db2.gz JGDAZWPHUMHYOE-HNNXBMFYSA-N 0 0 306.381 3.429 10 30 DGEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000555273528 434968329 /nfs/dbraw/zinc/96/83/29/434968329.db2.gz VULKWFXVZWEDHB-OAHLLOKOSA-N 0 0 318.465 3.058 10 30 DGEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1Br ZINC000575383899 435034072 /nfs/dbraw/zinc/03/40/72/435034072.db2.gz QVZKIUVVKNSLEG-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1OC(F)F ZINC000575385204 435034076 /nfs/dbraw/zinc/03/40/76/435034076.db2.gz CKGTUHRQBOSTRA-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN C=CC(C)(C)CCNc1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000528072002 435019313 /nfs/dbraw/zinc/01/93/13/435019313.db2.gz APACUDFPBQWVQP-UHFFFAOYSA-N 0 0 313.327 3.466 10 30 DGEERN COC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1C(F)F ZINC000575387617 435034087 /nfs/dbraw/zinc/03/40/87/435034087.db2.gz SHDOHVKCHODFNP-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@]1(C)Br ZINC000528275183 435022079 /nfs/dbraw/zinc/02/20/79/435022079.db2.gz ZJBJSMWFYPCDFM-ZBFHGGJFSA-N 0 0 322.246 3.417 10 30 DGEERN C=CCNC(=O)CN1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528740938 435027956 /nfs/dbraw/zinc/02/79/56/435027956.db2.gz JTXJEWQGHBLAET-UHFFFAOYSA-N 0 0 304.821 3.040 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1CC ZINC000575388872 435034182 /nfs/dbraw/zinc/03/41/82/435034182.db2.gz GSIGBMIKOCEWCQ-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COC(=O)Cc1cc(OC(F)(F)F)cc(C(F)F)c1C#N ZINC000575344236 435030604 /nfs/dbraw/zinc/03/06/04/435030604.db2.gz XJJCMVZUXUWJPN-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN C=CCOc1cccc(NC(=O)NCC[C@H]2CCCOC2)c1 ZINC000528940625 435031177 /nfs/dbraw/zinc/03/11/77/435031177.db2.gz ZNFBQTYQVNWJMY-CQSZACIVSA-N 0 0 304.390 3.190 10 30 DGEERN COC(=O)c1c(C#N)cc(C(F)(F)F)cc1OC(F)(F)F ZINC000575345227 435031165 /nfs/dbraw/zinc/03/11/65/435031165.db2.gz KXUKJHPEXCGIHO-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1C(F)(F)F ZINC000575345383 435031663 /nfs/dbraw/zinc/03/16/63/435031663.db2.gz ZEBXQVJUGLXTIC-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN COC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1C(F)(F)F ZINC000575379275 435032012 /nfs/dbraw/zinc/03/20/12/435032012.db2.gz BVAVSWYBXGOOBG-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000464135034 434977032 /nfs/dbraw/zinc/97/70/32/434977032.db2.gz LNVIMGAFKUZKQT-RDTXWAMCSA-N 0 0 317.408 3.097 10 30 DGEERN CC(=O)c1csc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 ZINC000555534023 434977458 /nfs/dbraw/zinc/97/74/58/434977458.db2.gz NGLHHTJUJIPSEE-UHFFFAOYSA-N 0 0 320.320 3.031 10 30 DGEERN CCOC(=O)c1c(C#N)cc(C(F)(F)F)cc1OC(F)F ZINC000575386929 435034496 /nfs/dbraw/zinc/03/44/96/435034496.db2.gz QJXCTOWXVPVTII-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC1(C#N)CC1 ZINC000555863016 434988776 /nfs/dbraw/zinc/98/87/76/434988776.db2.gz YXFDVCYJFYNUOR-OAHLLOKOSA-N 0 0 300.402 3.387 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000464553758 434992307 /nfs/dbraw/zinc/99/23/07/434992307.db2.gz SIOKQRPLZRWJPG-CQSZACIVSA-N 0 0 302.418 3.248 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000464758386 434997069 /nfs/dbraw/zinc/99/70/69/434997069.db2.gz XSNMCRYDQXYUGY-SWLSCSKDSA-N 0 0 304.390 3.125 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000574723397 435000081 /nfs/dbraw/zinc/00/00/81/435000081.db2.gz FKMVCXZUIPTUDP-QGZVFWFLSA-N 0 0 302.418 3.231 10 30 DGEERN C=CCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC(=C)C ZINC000575005732 435004680 /nfs/dbraw/zinc/00/46/80/435004680.db2.gz WXWICWPRMVMWPH-UHFFFAOYSA-N 0 0 313.361 3.052 10 30 DGEERN CCOC(=O)Cc1c(Cl)c(C#N)ccc1OC(F)(F)F ZINC000575383357 435033312 /nfs/dbraw/zinc/03/33/12/435033312.db2.gz QYLBEEVRVKKDAI-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=CCCC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527628641 435012584 /nfs/dbraw/zinc/01/25/84/435012584.db2.gz RAVSAFVUVVBXIA-UHFFFAOYSA-N 0 0 312.182 3.439 10 30 DGEERN CCC(CC)c1cc(CNC(=O)Cc2cccc(C#N)c2)on1 ZINC000530914195 435059488 /nfs/dbraw/zinc/05/94/88/435059488.db2.gz PUWOFSOETOJXQM-UHFFFAOYSA-N 0 0 311.385 3.309 10 30 DGEERN N#CCCN(C(=O)c1cccc2nccnc21)c1ccc(F)cc1 ZINC000577542758 435061427 /nfs/dbraw/zinc/06/14/27/435061427.db2.gz HLEUZLCHRCACGO-UHFFFAOYSA-N 0 0 320.327 3.329 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)cs1 ZINC000531121138 435072262 /nfs/dbraw/zinc/07/22/62/435072262.db2.gz VVYVJAVLVYQWGA-UHFFFAOYSA-N 0 0 322.393 3.248 10 30 DGEERN COc1cccc([C@@H]2CCCN2C(=O)Cc2cccc(C#N)c2)c1 ZINC000531149144 435075418 /nfs/dbraw/zinc/07/54/18/435075418.db2.gz BQAVFDVMLYUQOY-IBGZPJMESA-N 0 0 320.392 3.473 10 30 DGEERN C[C@H](CNC(=O)Cc1cccc(C#N)c1)COCc1ccccc1 ZINC000531157884 435076825 /nfs/dbraw/zinc/07/68/25/435076825.db2.gz CACGPHWDKWCJIM-MRXNPFEDSA-N 0 0 322.408 3.070 10 30 DGEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1OC(F)(F)F ZINC000575387020 435034718 /nfs/dbraw/zinc/03/47/18/435034718.db2.gz DIBPLEVEHIYQAY-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)c(C(F)F)cc1C#N ZINC000575385292 435034765 /nfs/dbraw/zinc/03/47/65/435034765.db2.gz JBSMMSVRRZSETF-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)Cc1ccc(C#N)c(Br)c1C(F)(F)F ZINC000575383888 435034829 /nfs/dbraw/zinc/03/48/29/435034829.db2.gz PTUZLUWWWXGDDJ-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1OC ZINC000575394592 435035003 /nfs/dbraw/zinc/03/50/03/435035003.db2.gz MCBBYGIHQBMQCB-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc(C#N)cc(C=O)c1SC(F)(F)F ZINC000575390881 435035434 /nfs/dbraw/zinc/03/54/34/435035434.db2.gz AHYKJWXDDFXXFT-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)c1c(C#N)c([N+](=O)[O-])ccc1SC(F)(F)F ZINC000575394730 435035543 /nfs/dbraw/zinc/03/55/43/435035543.db2.gz UKIUJMQRGZNWRI-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(F)cc1SC(F)(F)F ZINC000575390709 435035661 /nfs/dbraw/zinc/03/56/61/435035661.db2.gz SPGTUYAMADOMJQ-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1ccc(OC)c(C#N)c1SC(F)(F)F ZINC000575394092 435035704 /nfs/dbraw/zinc/03/57/04/435035704.db2.gz AQFNQJCTBWEGIS-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)c1c(C#N)cc(SC(F)(F)F)cc1C=O ZINC000575391541 435035877 /nfs/dbraw/zinc/03/58/77/435035877.db2.gz QKAHIWGVDJIBTE-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCc1cc(I)c(OC(F)F)c(C#N)c1 ZINC000575654468 435038280 /nfs/dbraw/zinc/03/82/80/435038280.db2.gz DTLSXZSASVLPOY-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1c(C#N)cc(I)cc1OC(F)F ZINC000575656265 435039646 /nfs/dbraw/zinc/03/96/46/435039646.db2.gz SKTHAIQJPVGWHU-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1c(I)ccc(CC#N)c1OC(F)F ZINC000575663622 435039892 /nfs/dbraw/zinc/03/98/92/435039892.db2.gz DPEIYIWVXPVUDO-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1ccc(OC(F)F)c(I)c1CC#N ZINC000575664001 435041088 /nfs/dbraw/zinc/04/10/88/435041088.db2.gz RULXOZCXJFSSCT-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN CCOc1cc(CC)cc(I)c1C#N ZINC000575670554 435041627 /nfs/dbraw/zinc/04/16/27/435041627.db2.gz LSYGJIBGTSCDPO-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#Cc1cc(C(F)F)cc([N+](=O)[O-])c1I ZINC000575671898 435041649 /nfs/dbraw/zinc/04/16/49/435041649.db2.gz WGISFVWWVIRVMY-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#CCc1cc(I)c(C(F)F)cc1F ZINC000575669165 435041805 /nfs/dbraw/zinc/04/18/05/435041805.db2.gz XRGLKLHAOAUDRC-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CC(Cc3ccco3)C2)cc1 ZINC000529863667 435042104 /nfs/dbraw/zinc/04/21/04/435042104.db2.gz JTUFIQVXGQHVDA-UHFFFAOYSA-N 0 0 311.381 3.088 10 30 DGEERN N#CCc1c(OC(F)F)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575668266 435042293 /nfs/dbraw/zinc/04/22/93/435042293.db2.gz TWYCGHTZKVBENJ-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(C#N)ccc2NC2CC2)c1 ZINC000557065083 435044693 /nfs/dbraw/zinc/04/46/93/435044693.db2.gz ILLHGVFBGFDERW-UHFFFAOYSA-N 0 0 316.364 3.185 10 30 DGEERN Cc1c(I)cc(Br)cc1C#N ZINC000575693528 435045469 /nfs/dbraw/zinc/04/54/69/435045469.db2.gz ZQOQVPCBWNZTCQ-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CSc1cc(I)c(F)c(CC#N)c1 ZINC000575707298 435049008 /nfs/dbraw/zinc/04/90/08/435049008.db2.gz ULRDYLVBMHXPAZ-UHFFFAOYSA-N 0 0 307.131 3.218 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000576154066 435053875 /nfs/dbraw/zinc/05/38/75/435053875.db2.gz XTJXTUNRPIIMTH-SZMVWBNQSA-N 0 0 314.429 3.297 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 ZINC000576697248 435057654 /nfs/dbraw/zinc/05/76/54/435057654.db2.gz AKWANYQNTKYIRS-INIZCTEOSA-N 0 0 302.418 3.378 10 30 DGEERN Cc1nc(-c2ccc(CNc3nc(C)cc(C#N)n3)cc2)cs1 ZINC000557533671 435057710 /nfs/dbraw/zinc/05/77/10/435057710.db2.gz NEYXVTYXKMIHEX-UHFFFAOYSA-N 0 0 321.409 3.701 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000466867676 435095524 /nfs/dbraw/zinc/09/55/24/435095524.db2.gz MIJABRCFJBLRDC-LBPRGKRZSA-N 0 0 303.793 4.067 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2csc(-c3ccco3)n2)c1 ZINC000531671811 435108870 /nfs/dbraw/zinc/10/88/70/435108870.db2.gz AXXYNMNQTAOOKV-UHFFFAOYSA-N 0 0 323.377 3.134 10 30 DGEERN N#Cc1ccsc1C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000558786956 435111231 /nfs/dbraw/zinc/11/12/31/435111231.db2.gz HDJQSCVCCANEJT-CYBMUJFWSA-N 0 0 304.415 3.231 10 30 DGEERN CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 ZINC000558926900 435115648 /nfs/dbraw/zinc/11/56/48/435115648.db2.gz OONCZDYYMXDXHV-GJZGRUSLSA-N 0 0 311.433 3.436 10 30 DGEERN C=CCN(C)c1nnc(CCc2ccco2)n1Cc1ccccc1 ZINC000558912770 435115860 /nfs/dbraw/zinc/11/58/60/435115860.db2.gz IYBRHQFIBOXFTB-UHFFFAOYSA-N 0 0 322.412 3.327 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000532939293 435201197 /nfs/dbraw/zinc/20/11/97/435201197.db2.gz NJTCJABBYTVHAB-UHFFFAOYSA-N 0 0 304.393 3.240 10 30 DGEERN N#Cc1ccc(CNc2cccc(N3CCOCC3)c2)c(F)c1 ZINC000532990465 435203379 /nfs/dbraw/zinc/20/33/79/435203379.db2.gz YKPFMTDEMHEHOF-UHFFFAOYSA-N 0 0 311.360 3.146 10 30 DGEERN CC1(C)Cc2cc(NC(=O)Cc3cccc(C#N)c3)ccc2O1 ZINC000532345234 435158954 /nfs/dbraw/zinc/15/89/54/435158954.db2.gz HNGYALVIXCKHMN-UHFFFAOYSA-N 0 0 306.365 3.453 10 30 DGEERN C=C(C)COCCNC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000474809442 435161273 /nfs/dbraw/zinc/16/12/73/435161273.db2.gz DMSHWWZTCURERH-UHFFFAOYSA-N 0 0 320.433 3.046 10 30 DGEERN Cc1cccc(CNc2ccncc2C#N)c1Br ZINC000561304835 435209715 /nfs/dbraw/zinc/20/97/15/435209715.db2.gz IKEYQXOLBWPVBQ-UHFFFAOYSA-N 0 0 302.175 3.058 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000580391124 435228156 /nfs/dbraw/zinc/22/81/56/435228156.db2.gz KTNOSUSYKHUHGA-HIFRSBDPSA-N 0 0 302.422 3.735 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000580446900 435235207 /nfs/dbraw/zinc/23/52/07/435235207.db2.gz ZTFSCJNZQRETNT-OLZOCXBDSA-N 0 0 322.371 3.078 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COC/C=C/c1ccccc1 ZINC000477081819 435258250 /nfs/dbraw/zinc/25/82/50/435258250.db2.gz ALVJZUFGBNPTMR-RMKNXTFCSA-N 0 0 313.319 3.293 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000477489404 435271842 /nfs/dbraw/zinc/27/18/42/435271842.db2.gz OUSAHUZXULDDCU-IAGOWNOFSA-N 0 0 323.458 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000564880304 435275690 /nfs/dbraw/zinc/27/56/90/435275690.db2.gz VKXXMRRPACIBHI-NOLJZWGESA-N 0 0 320.458 3.360 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000565168327 435277316 /nfs/dbraw/zinc/27/73/16/435277316.db2.gz DGDFTXUMMKPAQW-AWEZNQCLSA-N 0 0 304.438 4.030 10 30 DGEERN C=CCCCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000566481709 435287016 /nfs/dbraw/zinc/28/70/16/435287016.db2.gz BDUCTKMMOBSUFA-UHFFFAOYSA-N 0 0 318.420 3.218 10 30 DGEERN C=CCCCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000566689175 435288583 /nfs/dbraw/zinc/28/85/83/435288583.db2.gz PGQFGOWWYUVXRS-UHFFFAOYSA-N 0 0 312.391 3.157 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)nc2ccccc2c1C ZINC000567464119 435319817 /nfs/dbraw/zinc/31/98/17/435319817.db2.gz GULYJEWNYRZCDI-YOEHRIQHSA-N 0 0 310.397 3.173 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000567642098 435336594 /nfs/dbraw/zinc/33/65/94/435336594.db2.gz SBSLENRUKOLKLR-BHYGNILZSA-N 0 0 317.429 3.330 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@@H]1C ZINC000568816385 435473691 /nfs/dbraw/zinc/47/36/91/435473691.db2.gz JKIWKNFHESMQFU-KGLIPLIRSA-N 0 0 300.406 3.077 10 30 DGEERN CC(C)(O)C(C)(C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000538606268 435509512 /nfs/dbraw/zinc/50/95/12/435509512.db2.gz VTFRNBXUHPPFKP-UHFFFAOYSA-N 0 0 321.420 3.366 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000568919647 435485412 /nfs/dbraw/zinc/48/54/12/435485412.db2.gz ZZDWWIKFRVAFRV-HNNXBMFYSA-N 0 0 318.417 3.457 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000538337842 435495906 /nfs/dbraw/zinc/49/59/06/435495906.db2.gz RWJDJSOEVBVNOS-LLVKDONJSA-N 0 0 316.323 3.497 10 30 DGEERN C[C@H](c1cccc(C#N)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000484544338 435547578 /nfs/dbraw/zinc/54/75/78/435547578.db2.gz LBKXZGCXUFBHLO-UZLBHIALSA-N 0 0 322.408 3.399 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000517026424 435570498 /nfs/dbraw/zinc/57/04/98/435570498.db2.gz VJKGGDBDXSZWHO-GJZGRUSLSA-N 0 0 301.390 3.062 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000486143616 435589906 /nfs/dbraw/zinc/58/99/06/435589906.db2.gz MLQXCQPJQBXKGS-FQEVSTJZSA-N 0 0 323.436 3.237 10 30 DGEERN CCCCC[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486706583 435610580 /nfs/dbraw/zinc/61/05/80/435610580.db2.gz VGHHAMIQUICKNK-AWEZNQCLSA-N 0 0 324.421 3.431 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(N2CCCC2)nc1 ZINC000570694373 435641663 /nfs/dbraw/zinc/64/16/63/435641663.db2.gz LPWLWCIXSCNHEK-UHFFFAOYSA-N 0 0 316.449 3.227 10 30 DGEERN C=C(C)COCCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541743527 435642833 /nfs/dbraw/zinc/64/28/33/435642833.db2.gz SFUIOVSTUJYKTF-QGZVFWFLSA-N 0 0 319.836 3.345 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000570824564 435654575 /nfs/dbraw/zinc/65/45/75/435654575.db2.gz OTCZUFQJAGCWQY-MRXNPFEDSA-N 0 0 324.465 3.496 10 30 DGEERN C=CCCCCCNC(=O)NCc1nccc(C(F)(F)F)n1 ZINC000519619435 435693839 /nfs/dbraw/zinc/69/38/39/435693839.db2.gz ZFFXTSCVTLCGGA-UHFFFAOYSA-N 0 0 316.327 3.041 10 30 DGEERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cccc(C#N)c1 ZINC000571356254 435698384 /nfs/dbraw/zinc/69/83/84/435698384.db2.gz QQJLDUOKYRKEFK-IFXJQAMLSA-N 0 0 319.408 3.333 10 30 DGEERN C[C@H]1CSc2ccccc2N(C(=O)c2cc(C#N)cn2C)C1 ZINC000159569523 300394824 /nfs/dbraw/zinc/39/48/24/300394824.db2.gz PBEDYFMSEKHCHA-GFCCVEGCSA-N 0 0 311.410 3.285 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000519831722 435712921 /nfs/dbraw/zinc/71/29/21/435712921.db2.gz CNERCGPCCMOXRA-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN N#CC1(C(=O)N2CC3(CCOCC3)c3ccccc32)CCCC1 ZINC000189845827 303139358 /nfs/dbraw/zinc/13/93/58/303139358.db2.gz XJHWQBLSOUGMDX-UHFFFAOYSA-N 0 0 310.397 3.165 10 30 DGEERN Cc1oc(NC(=O)CN2CCC(C(C)(C)C)CC2)c(C#N)c1C ZINC000172031594 312739295 /nfs/dbraw/zinc/73/92/95/312739295.db2.gz WFEMWSLVXSSEOX-UHFFFAOYSA-N 0 0 317.433 3.465 10 30 DGEERN CCc1cccc2c1OCC[C@H]2NC(=O)Cc1cccc(C#N)c1 ZINC000531153683 313436288 /nfs/dbraw/zinc/43/62/88/313436288.db2.gz OGZPTHRWYWUSKA-GOSISDBHSA-N 0 0 320.392 3.303 10 30 DGEERN CCCCCn1cc(CNC(=O)Cc2cccc(C#N)c2)c(C)n1 ZINC000535054035 313695600 /nfs/dbraw/zinc/69/56/00/313695600.db2.gz YZCSOHFAMMAAMC-UHFFFAOYSA-N 0 0 324.428 3.112 10 30 DGEERN Cc1csc([C@H](C)NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000541789508 314038464 /nfs/dbraw/zinc/03/84/64/314038464.db2.gz HMHCEFYMAVVHCH-VIFPVBQESA-N 0 0 305.790 3.468 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccnc2N2CCCCC2)c1 ZINC000542819306 314100813 /nfs/dbraw/zinc/10/08/13/314100813.db2.gz YMBWQOGFADUDBH-UHFFFAOYSA-N 0 0 320.396 3.125 10 30 DGEERN CCC1(CC)CN(C(=O)Cc2cccc(C#N)c2)CCS1 ZINC000547362572 314360275 /nfs/dbraw/zinc/36/02/75/314360275.db2.gz VIZYETCNNHMKML-UHFFFAOYSA-N 0 0 302.443 3.235 10 30 DGEERN COc1cccc(CNc2ccncc2C#N)c1OC1CCCC1 ZINC000547825852 314399289 /nfs/dbraw/zinc/39/92/89/314399289.db2.gz LBRUQUFYPHXSSV-UHFFFAOYSA-N 0 0 323.396 3.317 10 30 DGEERN N#Cc1cnccc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000547824887 314399497 /nfs/dbraw/zinc/39/94/97/314399497.db2.gz UTVCYSFTUFNJSK-MRXNPFEDSA-N 0 0 317.751 3.324 10 30 DGEERN CN(CC1(c2ccccc2)CC1)C(=O)Cc1cccc(C#N)c1 ZINC000548383063 314442070 /nfs/dbraw/zinc/44/20/70/314442070.db2.gz QKDKUPMLNJDLSZ-UHFFFAOYSA-N 0 0 304.393 3.291 10 30 DGEERN N#Cc1cnccc1NCC1(CCOCc2ccccc2)CC1 ZINC000548483911 314452355 /nfs/dbraw/zinc/45/23/55/314452355.db2.gz XWKNCLMKAVDYFV-UHFFFAOYSA-N 0 0 307.397 3.174 10 30 DGEERN Cc1cc(C(=O)N2CCCC23CCC3)nn1-c1cccc(C#N)c1 ZINC000564283509 315165860 /nfs/dbraw/zinc/16/58/60/315165860.db2.gz OVUIETFKEZWWLW-UHFFFAOYSA-N 0 0 320.396 3.211 10 30 DGEERN COc1ccccc1C[C@@H](Nc1nc(C)cc(C#N)n1)C(C)C ZINC000566695378 315367989 /nfs/dbraw/zinc/36/79/89/315367989.db2.gz DZNVFOFOUUBQPY-MRXNPFEDSA-N 0 0 310.401 3.345 10 30 DGEERN CSc1ccc(CCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000568587157 315521903 /nfs/dbraw/zinc/52/19/03/315521903.db2.gz BROVIJVEEZGMTG-UHFFFAOYSA-N 0 0 310.422 3.182 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccncc2C#N)cc1 ZINC000568959980 315548156 /nfs/dbraw/zinc/54/81/56/315548156.db2.gz ADSJKUMJARIONT-APWZRJJASA-N 0 0 307.397 3.263 10 30 DGEERN Cc1ccn(-c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2)n1 ZINC000576257405 316111841 /nfs/dbraw/zinc/11/18/41/316111841.db2.gz ATQZDADOZXAXPP-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN Cn1c(CN(Cc2ccc(C#N)cc2)C2CC2)nnc1C1CCC1 ZINC000181152990 323247252 /nfs/dbraw/zinc/24/72/52/323247252.db2.gz RQLGTJQVBFTZEQ-UHFFFAOYSA-N 0 0 321.428 3.119 10 30 DGEERN Cc1c(NC(=O)[C@H](C)Oc2ccccc2C#N)cccc1N(C)C ZINC000181920799 323274612 /nfs/dbraw/zinc/27/46/12/323274612.db2.gz FFGMOZGPNKPLSP-AWEZNQCLSA-N 0 0 323.396 3.339 10 30 DGEERN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000521318641 331522086 /nfs/dbraw/zinc/52/20/86/331522086.db2.gz JYFYVRIMBYCUMR-NVXWUHKLSA-N 0 0 324.428 3.340 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCC ZINC000584228368 331871339 /nfs/dbraw/zinc/87/13/39/331871339.db2.gz NLDPNSZIJQGAMP-ZFWWWQNUSA-N 0 0 304.390 3.106 10 30 DGEERN C=CCCCCCNS(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000565903030 331894837 /nfs/dbraw/zinc/89/48/37/331894837.db2.gz DMFXVNMNPCBVQA-CYBMUJFWSA-N 0 0 309.422 3.478 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000559005780 331965603 /nfs/dbraw/zinc/96/56/03/331965603.db2.gz XTDOPZJJKDPFRR-LLVKDONJSA-N 0 0 302.344 3.195 10 30 DGEERN C=C(C)CCc1noc(C2(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000560455154 332341225 /nfs/dbraw/zinc/34/12/25/332341225.db2.gz AMEZLBVOMMPGHU-UHFFFAOYSA-N 0 0 315.348 3.388 10 30 DGEERN C=CCCOCCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000155332779 332446554 /nfs/dbraw/zinc/44/65/54/332446554.db2.gz QCXYGBDURVZJGT-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN CC#CCCCC(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000561734010 332488684 /nfs/dbraw/zinc/48/86/84/332488684.db2.gz AVNSJCXXBQFEAN-UHFFFAOYSA-N 0 0 302.296 3.238 10 30 DGEERN C[C@@H](C#N)CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000187698944 332982162 /nfs/dbraw/zinc/98/21/62/332982162.db2.gz VOCORSWQOAKKKT-WRWORJQWSA-N 0 0 321.249 3.027 10 30 DGEERN C=C(C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209561 333009795 /nfs/dbraw/zinc/00/97/95/333009795.db2.gz BFBLFURFSAFLHF-YVEFUNNKSA-N 0 0 308.372 3.040 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185191710 335118107 /nfs/dbraw/zinc/11/81/07/335118107.db2.gz OWGZTPYJYBXPNP-ZIAGYGMSSA-N 0 0 323.458 3.212 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000188122667 333159773 /nfs/dbraw/zinc/15/97/73/333159773.db2.gz MTVRCWGUJYDYGK-CYBMUJFWSA-N 0 0 320.389 3.033 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000580326814 333187501 /nfs/dbraw/zinc/18/75/01/333187501.db2.gz NZVULXDPOMJAGW-GVDBMIGSSA-N 0 0 308.466 3.458 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000295254712 335134357 /nfs/dbraw/zinc/13/43/57/335134357.db2.gz GFFJLDLLENUZLV-DOTOQJQBSA-N 0 0 321.367 3.298 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000188503199 333368874 /nfs/dbraw/zinc/36/88/74/333368874.db2.gz PQZXSGZLHSKTFM-SJCJKPOMSA-N 0 0 308.372 3.262 10 30 DGEERN C=CC[C@@H](C(=O)N1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000563173367 333431074 /nfs/dbraw/zinc/43/10/74/333431074.db2.gz AQJHIARHFCUGMH-SJLPKXTDSA-N 0 0 317.454 3.081 10 30 DGEERN C=CCCCCCNC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000563375834 333596022 /nfs/dbraw/zinc/59/60/22/333596022.db2.gz YABSDHWUUZODBF-IRXDYDNUSA-N 0 0 317.433 3.347 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)N(CCC#N)Cc1ccco1 ZINC000269274885 333999861 /nfs/dbraw/zinc/99/98/61/333999861.db2.gz IFZNMPBMXPSNKY-AWEZNQCLSA-N 0 0 304.390 3.307 10 30 DGEERN C=CCCCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000563677510 334340931 /nfs/dbraw/zinc/34/09/31/334340931.db2.gz BYFNMLDYWUJMOY-UHFFFAOYSA-N 0 0 323.234 3.483 10 30 DGEERN CC#CCNC(=O)NCc1ccccc1OCc1ccccc1 ZINC000534980509 334351789 /nfs/dbraw/zinc/35/17/89/334351789.db2.gz UPEVNTCXTRQXNY-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000341414732 334443871 /nfs/dbraw/zinc/44/38/71/334443871.db2.gz AJMPXYYOVFTUQM-LLVKDONJSA-N 0 0 314.307 3.061 10 30 DGEERN CCc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1[N+](=O)[O-] ZINC000535324795 334716190 /nfs/dbraw/zinc/71/61/90/334716190.db2.gz HVGZEQPVABBPOF-INIZCTEOSA-N 0 0 303.362 3.215 10 30 DGEERN C=C(C)[C@@H](CC(=O)N(C)CCOc1ccc(C)cc1)OCC ZINC000535906415 335799850 /nfs/dbraw/zinc/79/98/50/335799850.db2.gz NBVCXXGGMYAPDY-QGZVFWFLSA-N 0 0 305.418 3.204 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000352535394 336222996 /nfs/dbraw/zinc/22/29/96/336222996.db2.gz QBAXJNBGSFUCTG-AWEZNQCLSA-N 0 0 301.434 3.260 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000356819625 336561957 /nfs/dbraw/zinc/56/19/57/336561957.db2.gz YGNXJSZLYRIWKD-LBPRGKRZSA-N 0 0 324.371 3.342 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(C(=O)OC)c1C)OCC ZINC000358210890 336616954 /nfs/dbraw/zinc/61/69/54/336616954.db2.gz JVFBIINYRSTSRC-CQSZACIVSA-N 0 0 323.364 3.231 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1Cc2ccccc21 ZINC000358212163 336617121 /nfs/dbraw/zinc/61/71/21/336617121.db2.gz LXKBFLHSBJIQPU-GOSISDBHSA-N 0 0 322.364 3.449 10 30 DGEERN C=CCN(CC=C)C(=O)CNc1ccc(C(C)=O)c(Cl)c1 ZINC000181040130 337179473 /nfs/dbraw/zinc/17/94/73/337179473.db2.gz VVQPFPRZYNWCHF-UHFFFAOYSA-N 0 0 306.793 3.155 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1 ZINC000185195682 337202602 /nfs/dbraw/zinc/20/26/02/337202602.db2.gz VOXHKZCXNQBRRK-LSDHHAIUSA-N 0 0 301.390 3.225 10 30 DGEERN COc1ccc(CNC(=O)NCC2CCC(C#N)CC2)c(C)c1 ZINC000583003465 337227631 /nfs/dbraw/zinc/22/76/31/337227631.db2.gz SQBLTWTVZPWJMV-UHFFFAOYSA-N 0 0 315.417 3.133 10 30 DGEERN C=CCCCCCNC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000583092453 337239649 /nfs/dbraw/zinc/23/96/49/337239649.db2.gz PHBRGJHVBVGCHO-INIZCTEOSA-N 0 0 314.429 3.440 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CC[C@H](c2cc(C)ccn2)C1)OCC ZINC000583273555 337299592 /nfs/dbraw/zinc/29/95/92/337299592.db2.gz UVDZSMLOIRKGAR-RDJZCZTQSA-N 0 0 302.418 3.077 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000043878871 337308257 /nfs/dbraw/zinc/30/82/57/337308257.db2.gz YQDJWBKHEXBIDE-CYBMUJFWSA-N 0 0 306.406 3.372 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000584586885 337369687 /nfs/dbraw/zinc/36/96/87/337369687.db2.gz LCGCCHTVFKMUSS-OVWQWFNUSA-N 0 0 314.429 3.131 10 30 DGEERN CCOC(OCC)(OCC)[C@H](CCC=O)C(=O)c1ccccc1 ZINC000584604035 337371217 /nfs/dbraw/zinc/37/12/17/337371217.db2.gz GKDOYQCJZHFZAN-MRXNPFEDSA-N 0 0 322.401 3.228 10 30 DGEERN C=C(C)C(=O)N(C)c1ccc(C)cc1I ZINC000584607899 337371985 /nfs/dbraw/zinc/37/19/85/337371985.db2.gz PJLFBWOIGODBNF-UHFFFAOYSA-N 0 0 315.154 3.139 10 30 DGEERN Cc1c(C(N)=O)[nH]c2c1cc(C#N)cc2-c1ccc(F)cc1F ZINC000584618417 337373229 /nfs/dbraw/zinc/37/32/29/337373229.db2.gz HROKXLKYJHAXGK-UHFFFAOYSA-N 0 0 311.291 3.392 10 30 DGEERN CCOC(=O)c1ccc(/C=N/CCC2(O)CCCCC2)cc1 ZINC000584598224 337374601 /nfs/dbraw/zinc/37/46/01/337374601.db2.gz FUAWHCMZCUCZGI-XMHGGMMESA-N 0 0 303.402 3.368 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000135114146 337450768 /nfs/dbraw/zinc/45/07/68/337450768.db2.gz XBMGZCGCTIAXMJ-WBMJQRKESA-N 0 0 307.825 3.032 10 30 DGEERN Cc1ccc2oc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2c1 ZINC000072626468 337547980 /nfs/dbraw/zinc/54/79/80/337547980.db2.gz XXQWTRIOKBIUEL-INIZCTEOSA-N 0 0 317.414 3.283 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000527178216 337735405 /nfs/dbraw/zinc/73/54/05/337735405.db2.gz MGOHIHLADNKXEZ-OLZOCXBDSA-N 0 0 320.399 3.368 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@@H]2C[C@]2(C)Br)c1 ZINC000528162971 337791051 /nfs/dbraw/zinc/79/10/51/337791051.db2.gz CFXSDVVUFKYUJN-JSGCOSHPSA-N 0 0 310.191 3.363 10 30 DGEERN C=CCN(C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000119423726 337859645 /nfs/dbraw/zinc/85/96/45/337859645.db2.gz PZWVEMYNKPTZRZ-UHFFFAOYSA-N 0 0 312.417 3.323 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000515064595 337977951 /nfs/dbraw/zinc/97/79/51/337977951.db2.gz VFWOMJAIABMYCG-HEHGZKQESA-N 0 0 308.397 3.292 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CC(OC)(c2ccccc2)C1 ZINC000501540999 340082969 /nfs/dbraw/zinc/08/29/69/340082969.db2.gz JITHPFGXVNHEED-OAHLLOKOSA-N 0 0 302.418 3.298 10 30 DGEERN C=CCCc1ccccc1NC(=O)CNC(=O)c1ccccc1C ZINC000504291348 340144499 /nfs/dbraw/zinc/14/44/99/340144499.db2.gz ZBHQXKRVXPLYGF-UHFFFAOYSA-N 0 0 322.408 3.482 10 30 DGEERN CC1(C#N)CCN(C(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000504397234 340146897 /nfs/dbraw/zinc/14/68/97/340146897.db2.gz UIGWFZBRCKRFTN-UHFFFAOYSA-N 0 0 310.401 3.046 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000505045982 340159938 /nfs/dbraw/zinc/15/99/38/340159938.db2.gz NAAANAAFFMVISW-NVXWUHKLSA-N 0 0 302.418 3.430 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN[C@H](c2ccc(CC)cc2)C1 ZINC000505470100 340169165 /nfs/dbraw/zinc/16/91/65/340169165.db2.gz XMMWNBQOHLWPOI-YJBOKZPZSA-N 0 0 300.446 3.324 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000505647064 340174302 /nfs/dbraw/zinc/17/43/02/340174302.db2.gz KHTSGHYPZWGHOZ-KGLIPLIRSA-N 0 0 300.402 3.001 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N(CCC)CC1CC1 ZINC000505854167 340179709 /nfs/dbraw/zinc/17/97/09/340179709.db2.gz BDUMJRJWSZDKDX-UHFFFAOYSA-N 0 0 314.429 3.392 10 30 DGEERN COc1cccc([C@@H](C)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000508366527 340242948 /nfs/dbraw/zinc/24/29/48/340242948.db2.gz GQNKFJBGFRIFMZ-WLYUNCDWSA-N 0 0 300.402 3.245 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C ZINC000508571053 340246840 /nfs/dbraw/zinc/24/68/40/340246840.db2.gz MZPZOKSLVLBSLV-UHFFFAOYSA-N 0 0 309.417 3.290 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N(C)CC1CCCC1 ZINC000508858778 340254595 /nfs/dbraw/zinc/25/45/95/340254595.db2.gz SOTHSUBSDLPZJQ-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CCCC ZINC000508878811 340255051 /nfs/dbraw/zinc/25/50/51/340255051.db2.gz BPWCMKJMRDHMJP-INIZCTEOSA-N 0 0 312.417 3.377 10 30 DGEERN C=CCn1c(N2CCC[C@H]([C@@H]3CCOC3)C2)nnc1C(C)(C)C ZINC000508908907 340255587 /nfs/dbraw/zinc/25/55/87/340255587.db2.gz WPURNAMYQBGGBT-LSDHHAIUSA-N 0 0 318.465 3.015 10 30 DGEERN C=CCn1c(-c2ccccc2Br)nnc1N(C)CC ZINC000508956312 340256143 /nfs/dbraw/zinc/25/61/43/340256143.db2.gz OTOSBXUNUJDEGK-UHFFFAOYSA-N 0 0 321.222 3.350 10 30 DGEERN C=CCNC(=O)N(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000509132914 340262011 /nfs/dbraw/zinc/26/20/11/340262011.db2.gz UHYIZTVQZGZFRY-CYBMUJFWSA-N 0 0 318.417 3.200 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000511880984 340341562 /nfs/dbraw/zinc/34/15/62/340341562.db2.gz UDFNOKZQXSYPFR-SWLSCSKDSA-N 0 0 303.362 3.091 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173712825 340372615 /nfs/dbraw/zinc/37/26/15/340372615.db2.gz IXMXOGMUGRBIHS-CQSZACIVSA-N 0 0 320.481 3.356 10 30 DGEERN CCn1c(CN(CCC#N)CC2CC2)nc2cc(F)ccc21 ZINC000174693677 340394662 /nfs/dbraw/zinc/39/46/62/340394662.db2.gz NGZWDEFNLMQDAA-UHFFFAOYSA-N 0 0 300.381 3.321 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000513695088 340420019 /nfs/dbraw/zinc/42/00/19/340420019.db2.gz YHYNWVOEOFPQMR-STQMWFEESA-N 0 0 307.356 3.405 10 30 DGEERN O=c1oc(-c2cccs2)nn1CC#Cc1ccc(Cl)cc1 ZINC000177473266 340440705 /nfs/dbraw/zinc/44/07/05/340440705.db2.gz HVVQVLFSZWBOQC-UHFFFAOYSA-N 0 0 316.769 3.270 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000185365198 340500361 /nfs/dbraw/zinc/50/03/61/340500361.db2.gz NGVCKJYKKPDUNI-HZPDHXFCSA-N 0 0 317.429 3.427 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000185714728 340504436 /nfs/dbraw/zinc/50/44/36/340504436.db2.gz QMTYTTUDBGXSHB-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000185753896 340504958 /nfs/dbraw/zinc/50/49/58/340504958.db2.gz XXDQPINEVBXFPL-RDJZCZTQSA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000187019078 340517463 /nfs/dbraw/zinc/51/74/63/340517463.db2.gz JLPSVWFXBXPBLC-GOEBONIOSA-N 0 0 303.402 3.236 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@](C)(C(=O)OCC)c1ccccc1 ZINC000188909505 340523333 /nfs/dbraw/zinc/52/33/33/340523333.db2.gz AVOYDRUUEYAMMN-DNVCBOLYSA-N 0 0 317.429 3.226 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000189142041 340527851 /nfs/dbraw/zinc/52/78/51/340527851.db2.gz GTKUSPAAPAUKQZ-SJCJKPOMSA-N 0 0 311.372 3.413 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192676798 340568623 /nfs/dbraw/zinc/56/86/23/340568623.db2.gz TXUFXJXGCAFSGX-UHFFFAOYSA-N 0 0 305.802 3.207 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1ccc(Br)c(F)c1F ZINC000528592282 340725397 /nfs/dbraw/zinc/72/53/97/340725397.db2.gz GHLLOLXMEXXGMA-SSDOTTSWSA-N 0 0 304.134 3.422 10 30 DGEERN C=CCNC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000124732309 340800548 /nfs/dbraw/zinc/80/05/48/340800548.db2.gz SMAXNKUMHBSHIS-SFHVURJKSA-N 0 0 310.397 3.430 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000539257042 340878712 /nfs/dbraw/zinc/87/87/12/340878712.db2.gz BVSZDMBRYZSWLH-SECBINFHSA-N 0 0 318.751 3.233 10 30 DGEERN CC#CCCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000541749580 340982619 /nfs/dbraw/zinc/98/26/19/340982619.db2.gz PPRYSPGAXYHGRR-UHFFFAOYSA-N 0 0 315.398 3.039 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000542270410 341002796 /nfs/dbraw/zinc/00/27/96/341002796.db2.gz WUCJJBLSFOKOMF-KRWDZBQOSA-N 0 0 316.445 3.395 10 30 DGEERN C=CCC(CC=C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000131047266 341057047 /nfs/dbraw/zinc/05/70/47/341057047.db2.gz ZXDVFTFRAZDPAG-HZPDHXFCSA-N 0 0 309.475 3.268 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)NC[C@H](C)C#N)cc2)cs1 ZINC000543805416 341059719 /nfs/dbraw/zinc/05/97/19/341059719.db2.gz IDXDJXZDGWBDDK-LLVKDONJSA-N 0 0 314.414 3.077 10 30 DGEERN C=CCOc1ccc(C(=O)NCCC2=CCCC2)cc1OC ZINC000131152616 341063232 /nfs/dbraw/zinc/06/32/32/341063232.db2.gz DMVXPMQECMBPCN-UHFFFAOYSA-N 0 0 301.386 3.490 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000544179722 341073072 /nfs/dbraw/zinc/07/30/72/341073072.db2.gz ZOPQNUJEUGUBMU-CHWSQXEVSA-N 0 0 323.387 3.197 10 30 DGEERN CC#CCCNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000544648167 341090326 /nfs/dbraw/zinc/09/03/26/341090326.db2.gz PYNYQONKFUHOCE-UHFFFAOYSA-N 0 0 301.333 3.327 10 30 DGEERN Cc1ccc2[nH]cc(CCC(=O)N(CCC#N)CCC#N)c2c1 ZINC000073030602 341112405 /nfs/dbraw/zinc/11/24/05/341112405.db2.gz HPRORSHCMXDCOH-UHFFFAOYSA-N 0 0 308.385 3.065 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000133660098 341181010 /nfs/dbraw/zinc/18/10/10/341181010.db2.gz FMJUICXFBVNPFZ-UHFFFAOYSA-N 0 0 315.417 3.239 10 30 DGEERN C=CCOc1ccccc1C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000134585964 341218995 /nfs/dbraw/zinc/21/89/95/341218995.db2.gz VVGFAJUPVXYMTO-WBVHZDCISA-N 0 0 317.429 3.313 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)c2oc(CC)cc2C)cc1 ZINC000135080042 341230422 /nfs/dbraw/zinc/23/04/22/341230422.db2.gz BJCAOESWNBVEEN-UHFFFAOYSA-N 0 0 312.369 3.319 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC1(C#N)CC1 ZINC000547841081 341236893 /nfs/dbraw/zinc/23/68/93/341236893.db2.gz ITHIISSSRHRDIW-KKUMJFAQSA-N 0 0 304.434 3.265 10 30 DGEERN Cc1cnc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)c1 ZINC000547978287 341241749 /nfs/dbraw/zinc/24/17/49/341241749.db2.gz YHERBKOOERRCTL-JKSUJKDBSA-N 0 0 321.380 3.008 10 30 DGEERN Cc1nc2ccc(C(=O)NCC3CCC(C#N)CC3)cc2nc1C ZINC000548843580 341277642 /nfs/dbraw/zinc/27/76/42/341277642.db2.gz GKNWLMUFHMJNOC-UHFFFAOYSA-N 0 0 322.412 3.306 10 30 DGEERN C=CCN(C)c1nnc(-c2ccccc2Br)n1CC ZINC000549043411 341284590 /nfs/dbraw/zinc/28/45/90/341284590.db2.gz SSCVNKIMKONQMU-UHFFFAOYSA-N 0 0 321.222 3.350 10 30 DGEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)CCC1CC1 ZINC000549264774 341289954 /nfs/dbraw/zinc/28/99/54/341289954.db2.gz PLYVYBOEQAPCLO-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000081613311 341299213 /nfs/dbraw/zinc/29/92/13/341299213.db2.gz RUPFBLGSEBVOLM-RHSMWYFYSA-N 0 0 318.417 3.314 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C)CC1 ZINC000549637533 341299812 /nfs/dbraw/zinc/29/98/12/341299812.db2.gz PKFSPUFWXVUVQJ-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)C[C@H](C)C#N ZINC000549680933 341300379 /nfs/dbraw/zinc/30/03/79/341300379.db2.gz KQILFRLYWNONQZ-OAHLLOKOSA-N 0 0 323.444 3.349 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC2(CCO2)CC1 ZINC000549699478 341300907 /nfs/dbraw/zinc/30/09/07/341300907.db2.gz QKZYMQBLZZXJHT-UHFFFAOYSA-N 0 0 318.465 3.202 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000249106468 341393980 /nfs/dbraw/zinc/39/39/80/341393980.db2.gz QNKIXZZPGXHTJX-SOLBZPMBSA-N 0 0 322.399 3.429 10 30 DGEERN C=CCNC(=O)c1ccccc1NCc1ccc(OC)c(C#N)c1 ZINC000163065687 341478653 /nfs/dbraw/zinc/47/86/53/341478653.db2.gz GEZYZAGNRQAFHZ-UHFFFAOYSA-N 0 0 321.380 3.095 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000565019611 341515267 /nfs/dbraw/zinc/51/52/67/341515267.db2.gz GPAVLBLVYVQDDN-SUNYJGFJSA-N 0 0 309.450 3.415 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000565499133 341529223 /nfs/dbraw/zinc/52/92/23/341529223.db2.gz SNJKUEYJQYSALH-JKSUJKDBSA-N 0 0 324.852 3.316 10 30 DGEERN C=CCN(C)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000153708263 341577471 /nfs/dbraw/zinc/57/74/71/341577471.db2.gz YYCUVHYHKBWZKM-SNVBAGLBSA-N 0 0 302.296 3.474 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)O1 ZINC000153814651 341579621 /nfs/dbraw/zinc/57/96/21/341579621.db2.gz GVCILOLRQZMOKI-JCOFBHIZSA-N 0 0 313.184 3.242 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000568931407 341685733 /nfs/dbraw/zinc/68/57/33/341685733.db2.gz GNXXAARRUSKYFN-ZDUSSCGKSA-N 0 0 314.389 3.038 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000569119213 341691383 /nfs/dbraw/zinc/69/13/83/341691383.db2.gz ZGOPQWYFXYTJTG-PZPWOCDFSA-N 0 0 314.495 3.112 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC000572994724 341712721 /nfs/dbraw/zinc/71/27/21/341712721.db2.gz PYDCWEQADQSEBD-UVBJJODRSA-N 0 0 324.371 3.306 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000573713097 341736840 /nfs/dbraw/zinc/73/68/40/341736840.db2.gz KDNHXYLABJGOCO-GUYCJALGSA-N 0 0 314.360 3.003 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CSC)cc1 ZINC000575799112 341805185 /nfs/dbraw/zinc/80/51/85/341805185.db2.gz TVUCFJXMSNVLRK-ZFWWWQNUSA-N 0 0 306.431 3.262 10 30 DGEERN N#CC1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000577579221 341920059 /nfs/dbraw/zinc/92/00/59/341920059.db2.gz QYGCTADSRFHGCT-NWDGAFQWSA-N 0 0 324.302 3.109 10 30 DGEERN CO[C@@H]1CCN(c2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC000385349162 1177160613 /nfs/dbraw/zinc/16/06/13/1177160613.db2.gz MWZNIYBKIZTEOE-GXFFZTMASA-N 0 0 309.207 3.324 10 30 DGEERN C#CCSCCNc1nn2cc(C3CCCC3)nc2s1 ZINC000302506035 500571372 /nfs/dbraw/zinc/57/13/72/500571372.db2.gz DWNMMVIWVNGRJF-UHFFFAOYSA-N 0 0 306.460 3.227 10 30 DGEERN COc1cccc2c1CC[C@@H]2NC(=O)[C@]1(C)CCCNC1=O ZINC000330299448 533864502 /nfs/dbraw/zinc/86/45/02/533864502.db2.gz HZTUHSJJWAJJKW-SUMWQHHRSA-N 0 0 302.374 3.396 10 30 DGEERN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1Cl ZINC000162462889 533872863 /nfs/dbraw/zinc/87/28/63/533872863.db2.gz NYJDCGYVBUHHQM-MRVPVSSYSA-N 0 0 321.229 3.225 10 30 DGEERN COc1ccccc1C[C@H]1CCCN1c1ccc(C)c(C#N)n1 ZINC000302612515 534124388 /nfs/dbraw/zinc/12/43/88/534124388.db2.gz FHHQIIYBNBYZFT-MRXNPFEDSA-N 0 0 307.397 3.482 10 30 DGEERN COc1ccccc1N=C1SCC(=O)N1Cc1ccco1 ZINC000254305517 534163879 /nfs/dbraw/zinc/16/38/79/534163879.db2.gz LGXWPJIRMLDRST-UHFFFAOYSA-N 0 0 302.355 3.051 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000456003328 534316397 /nfs/dbraw/zinc/31/63/97/534316397.db2.gz IQZKQOSUNXAMOD-MFKMUULPSA-N 0 0 301.308 3.019 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000458736385 534317772 /nfs/dbraw/zinc/31/77/72/534317772.db2.gz OEDRZLHPWNCYFU-LRDDRELGSA-N 0 0 320.820 3.346 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cccc(C(C)C)c1 ZINC000457800667 534347772 /nfs/dbraw/zinc/34/77/72/534347772.db2.gz XLZSNZRLIWHVNC-IEBWSBKVSA-N 0 0 301.430 3.450 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCc1cccc(Cl)c1 ZINC000469868997 534358315 /nfs/dbraw/zinc/35/83/15/534358315.db2.gz HWYVLGCLTVDWON-HZPDHXFCSA-N 0 0 307.821 3.370 10 30 DGEERN Cc1ccc2c(CCC(=O)Nc3cc(C#N)ccn3)c[nH]c2c1 ZINC000435994388 534381934 /nfs/dbraw/zinc/38/19/34/534381934.db2.gz LIDQFKPNEYYTIV-UHFFFAOYSA-N 0 0 304.353 3.314 10 30 DGEERN C=C(CC)CNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000455525593 534406082 /nfs/dbraw/zinc/40/60/82/534406082.db2.gz RIAVGAGTTOGLGB-UHFFFAOYSA-N 0 0 306.381 3.345 10 30 DGEERN C=C(CC)CNC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000459077148 534406304 /nfs/dbraw/zinc/40/63/04/534406304.db2.gz MYIMJAXXAHFQPN-UHFFFAOYSA-N 0 0 308.451 3.004 10 30 DGEERN C=CCn1c(N(C)Cc2ccccc2)nnc1[C@@]1(C)CCCO1 ZINC000453436487 534441658 /nfs/dbraw/zinc/44/16/58/534441658.db2.gz IKHIFFWWYWVPAA-GOSISDBHSA-N 0 0 312.417 3.126 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000458813165 534545911 /nfs/dbraw/zinc/54/59/11/534545911.db2.gz SKPHGQDJVCGWPS-CQSZACIVSA-N 0 0 324.465 3.352 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000488859110 534555388 /nfs/dbraw/zinc/55/53/88/534555388.db2.gz PKRNUODDFRKVDB-XYPHTWIQSA-N 0 0 312.413 3.462 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCC[C@H]3CCCCO3)cc2)CC1 ZINC000183399664 534574230 /nfs/dbraw/zinc/57/42/30/534574230.db2.gz JCVYDJZPPGACOJ-QGZVFWFLSA-N 0 0 312.413 3.321 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)CC1 ZINC000182505397 534575310 /nfs/dbraw/zinc/57/53/10/534575310.db2.gz OUGPZFZSUWOSAZ-QGZVFWFLSA-N 0 0 318.376 3.495 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)CCCCC1 ZINC000456673834 534585773 /nfs/dbraw/zinc/58/57/73/534585773.db2.gz DYOUSIQUVJZDOX-STQMWFEESA-N 0 0 319.367 3.285 10 30 DGEERN C=CCC1(CNC(=O)N2CCOC[C@H]2CC(F)F)CCCC1 ZINC000459047794 534599187 /nfs/dbraw/zinc/59/91/87/534599187.db2.gz CUMPNSLAYWULBK-CYBMUJFWSA-N 0 0 316.392 3.189 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000455422364 534601006 /nfs/dbraw/zinc/60/10/06/534601006.db2.gz WYGVLXLPNZOCEW-JQHSSLGASA-N 0 0 314.429 3.146 10 30 DGEERN N#CCCCCS(=O)(=O)NC1(c2ccccc2)CCCCC1 ZINC000435214335 534601981 /nfs/dbraw/zinc/60/19/81/534601981.db2.gz BNLPZRNXYPNPBN-UHFFFAOYSA-N 0 0 320.458 3.459 10 30 DGEERN N#CCCCOc1cccnc1NC(=O)NCCC1CCCC1 ZINC000188743007 534616822 /nfs/dbraw/zinc/61/68/22/534616822.db2.gz AJSMYYIBQGGLCE-UHFFFAOYSA-N 0 0 316.405 3.466 10 30 DGEERN Cc1cnc([C@H](C)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000329158986 534644750 /nfs/dbraw/zinc/64/47/50/534644750.db2.gz XGNLQZXXUGUFEO-JCGVRSQUSA-N 0 0 322.368 3.039 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000488866671 534689482 /nfs/dbraw/zinc/68/94/82/534689482.db2.gz MRJGQRRYHBMWMY-INIZCTEOSA-N 0 0 303.450 3.266 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1ccccc1OCCOCC ZINC000488860374 534692481 /nfs/dbraw/zinc/69/24/81/534692481.db2.gz UACCJXFXRLXXIX-HNNXBMFYSA-N 0 0 303.402 3.283 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000458624951 534705928 /nfs/dbraw/zinc/70/59/28/534705928.db2.gz SHODCVBTMFNHDO-CQSZACIVSA-N 0 0 306.793 3.218 10 30 DGEERN N#CCSCCCN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000174137260 534707243 /nfs/dbraw/zinc/70/72/43/534707243.db2.gz CWWNWEJWNGFZGR-UHFFFAOYSA-N 0 0 303.406 3.312 10 30 DGEERN COc1ccc(C#N)cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000156983074 523526704 /nfs/dbraw/zinc/52/67/04/523526704.db2.gz YBZNACQPMJNUKQ-MRXNPFEDSA-N 0 0 314.410 3.202 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000177204649 534727673 /nfs/dbraw/zinc/72/76/73/534727673.db2.gz BZBPDFQZFVUOAV-SJORKVTESA-N 0 0 324.380 3.074 10 30 DGEERN C=CCCCS(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000489036766 534744519 /nfs/dbraw/zinc/74/45/19/534744519.db2.gz FVDSBADGZIDKJJ-UHFFFAOYSA-N 0 0 308.230 3.379 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000454794696 534759524 /nfs/dbraw/zinc/75/95/24/534759524.db2.gz ADEPYSAZKLXIKC-USXIJHARSA-N 0 0 317.433 3.346 10 30 DGEERN C=CCC[C@H](CO)NC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000455033515 534802987 /nfs/dbraw/zinc/80/29/87/534802987.db2.gz DJLKANBGLLSCHB-CQSZACIVSA-N 0 0 322.453 3.111 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ncccc2Oc2ccccc2)c1 ZINC000440870510 534825154 /nfs/dbraw/zinc/82/51/54/534825154.db2.gz LZHBPMWAMDNHAO-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN CSCCC(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 ZINC000157771212 525377424 /nfs/dbraw/zinc/37/74/24/525377424.db2.gz MFTCQBHATYBEGH-UHFFFAOYSA-N 0 0 314.414 3.052 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1ccc(C#N)c(C)n1)CC2 ZINC000488085642 534882667 /nfs/dbraw/zinc/88/26/67/534882667.db2.gz IANYERDDXGLUMV-UHFFFAOYSA-N 0 0 305.381 3.070 10 30 DGEERN CC#CCCCC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000185669230 526294363 /nfs/dbraw/zinc/29/43/63/526294363.db2.gz WQMFSQOSWZUAIJ-PBHICJAKSA-N 0 0 303.377 3.308 10 30 DGEERN CC#CCCCC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000358381070 526302083 /nfs/dbraw/zinc/30/20/83/526302083.db2.gz GYFACKFHVHKODE-UHFFFAOYSA-N 0 0 305.374 3.153 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)CSC ZINC000443419917 526346576 /nfs/dbraw/zinc/34/65/76/526346576.db2.gz SBGVYSPURGVZTB-UHFFFAOYSA-N 0 0 322.430 3.499 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccoc2)n1C ZINC000349831424 526346739 /nfs/dbraw/zinc/34/67/39/526346739.db2.gz KTYUCRXVWMRPOA-UHFFFAOYSA-N 0 0 319.368 3.139 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C)oc1C ZINC000433108632 526349975 /nfs/dbraw/zinc/34/99/75/526349975.db2.gz ABJSKTKIOLIQAH-UHFFFAOYSA-N 0 0 315.329 3.028 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)cn1 ZINC000338235509 526350347 /nfs/dbraw/zinc/35/03/47/526350347.db2.gz SANYSZGVADEECY-UHFFFAOYSA-N 0 0 313.357 3.187 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000357123120 526356868 /nfs/dbraw/zinc/35/68/68/526356868.db2.gz XGIBHGMQFHJJMV-UHFFFAOYSA-N 0 0 318.380 3.096 10 30 DGEERN C=CCN(Cc1ccccc1F)c1nnc(-c2ccoc2)n1C ZINC000349833295 526366178 /nfs/dbraw/zinc/36/61/78/526366178.db2.gz NDRRFFKYQLMNDE-UHFFFAOYSA-N 0 0 312.348 3.407 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000362548696 526368931 /nfs/dbraw/zinc/36/89/31/526368931.db2.gz WTMLEYSQCDXDHF-INIZCTEOSA-N 0 0 315.438 3.256 10 30 DGEERN C=CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C1CC1 ZINC000358603746 526385370 /nfs/dbraw/zinc/38/53/70/526385370.db2.gz WRSPAYIZZPUNDN-UHFFFAOYSA-N 0 0 313.361 3.028 10 30 DGEERN C=C(C)CCc1noc(-c2cnc(-c3cnn(C)c3)s2)n1 ZINC000349771111 526465776 /nfs/dbraw/zinc/46/57/76/526465776.db2.gz GHQKHJHXPWFOPY-UHFFFAOYSA-N 0 0 301.375 3.102 10 30 DGEERN C=CCN1CC[C@@H](Sc2nc3ccc(Cl)cc3o2)C1=O ZINC000344608848 526488278 /nfs/dbraw/zinc/48/82/78/526488278.db2.gz ZKYUZOZVOQODFF-GFCCVEGCSA-N 0 0 308.790 3.360 10 30 DGEERN C=CCN1CC[C@@H](n2c3ccccc3nc2C(F)(F)F)C1=O ZINC000347703477 526488927 /nfs/dbraw/zinc/48/89/27/526488927.db2.gz VCQVNMSNPOXNCH-GFCCVEGCSA-N 0 0 309.291 3.015 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1oc(CC)cc1C ZINC000342388155 526558333 /nfs/dbraw/zinc/55/83/33/526558333.db2.gz YBOFYAVEDDUVHQ-UHFFFAOYSA-N 0 0 317.385 3.454 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(OC)ccc1F ZINC000353475583 526559659 /nfs/dbraw/zinc/55/96/59/526559659.db2.gz XCDWPJUKXCOOIK-UHFFFAOYSA-N 0 0 319.376 3.498 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[C@H]1C ZINC000358284505 526571302 /nfs/dbraw/zinc/57/13/02/526571302.db2.gz MCKHOGFCPYJGMN-ZBFHGGJFSA-N 0 0 304.438 3.350 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCOC[C@H]1C ZINC000342460309 526571898 /nfs/dbraw/zinc/57/18/98/526571898.db2.gz LGWMCPQPAUUBLF-WBVHZDCISA-N 0 0 319.449 3.041 10 30 DGEERN CC(C)(C)Oc1cccc(CCC(=O)NC2(C#N)CCCC2)n1 ZINC000131040894 526588982 /nfs/dbraw/zinc/58/89/82/526588982.db2.gz FBUSOUWPNXSAHC-UHFFFAOYSA-N 0 0 315.417 3.144 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)c2cc[nH]c2C2CC2)cc1 ZINC000339835425 526619870 /nfs/dbraw/zinc/61/98/70/526619870.db2.gz BKNOCUTXFRXMNM-UHFFFAOYSA-N 0 0 324.384 3.452 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)C[C@@H](C)c2cccnc2)cc1 ZINC000359906878 526647016 /nfs/dbraw/zinc/64/70/16/526647016.db2.gz HIIVWKHTFHUUHF-CQSZACIVSA-N 0 0 323.396 3.130 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000162254862 526651876 /nfs/dbraw/zinc/65/18/76/526651876.db2.gz MLKJQYAZPRXQGO-UHFFFAOYSA-N 0 0 319.364 3.035 10 30 DGEERN C=C(C)COc1cc(CN2C[C@H]3CC[C@@H](C2)O3)ccc1OC ZINC000378348291 526661622 /nfs/dbraw/zinc/66/16/22/526661622.db2.gz XZKKUKNYYUZBJU-IYBDPMFKSA-N 0 0 303.402 3.013 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(CC)[C@H]2CCOC2)c1 ZINC000361760889 526666627 /nfs/dbraw/zinc/66/66/27/526666627.db2.gz TVLDIYCQTUYLAU-HNNXBMFYSA-N 0 0 304.390 3.284 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000288750352 526671708 /nfs/dbraw/zinc/67/17/08/526671708.db2.gz ZDACTDNRBRWMGU-UHFFFAOYSA-N 0 0 304.393 3.036 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000295620157 526674572 /nfs/dbraw/zinc/67/45/72/526674572.db2.gz QZFJKUGIIZUXFB-QGZVFWFLSA-N 0 0 301.336 3.121 10 30 DGEERN C#CCCCCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000179985807 526685997 /nfs/dbraw/zinc/68/59/97/526685997.db2.gz FNPSAYPXCQPASJ-UHFFFAOYSA-N 0 0 302.393 3.422 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000341491651 526691763 /nfs/dbraw/zinc/69/17/63/526691763.db2.gz UJGWYXANYPYLMY-MRXNPFEDSA-N 0 0 311.429 3.492 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)CC(=C)C)[C@@H](C)C1 ZINC000183996482 526695310 /nfs/dbraw/zinc/69/53/10/526695310.db2.gz YWGZOZJHBDCDQJ-ZACQAIPSSA-N 0 0 320.477 3.250 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000188419338 526696979 /nfs/dbraw/zinc/69/69/79/526696979.db2.gz INKQRTJMAUROGV-MLGOLLRUSA-N 0 0 309.356 3.467 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000185887591 526698157 /nfs/dbraw/zinc/69/81/57/526698157.db2.gz FNZUJERRRPVDRR-OAHLLOKOSA-N 0 0 301.434 3.077 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000185475753 526699419 /nfs/dbraw/zinc/69/94/19/526699419.db2.gz WYATVZIPONIMIK-MRXNPFEDSA-N 0 0 324.424 3.115 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000185108412 526699899 /nfs/dbraw/zinc/69/98/99/526699899.db2.gz SJDMXZSSXSUPPZ-OAHLLOKOSA-N 0 0 314.429 3.028 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000185093582 526699963 /nfs/dbraw/zinc/69/99/63/526699963.db2.gz PNIANSCLRWQTEY-KGLIPLIRSA-N 0 0 306.475 3.213 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000185837590 526701043 /nfs/dbraw/zinc/70/10/43/526701043.db2.gz ZRTFCXQBILOUDL-CHWSQXEVSA-N 0 0 307.825 3.032 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000185520613 526701224 /nfs/dbraw/zinc/70/12/24/526701224.db2.gz NNNYHHNSLDITAI-TZMCWYRMSA-N 0 0 320.820 3.164 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(OC)c(Br)cn1 ZINC000342015126 526702127 /nfs/dbraw/zinc/70/21/27/526702127.db2.gz SVFJAEZRGHCECN-SECBINFHSA-N 0 0 313.195 3.394 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000185275172 526703293 /nfs/dbraw/zinc/70/32/93/526703293.db2.gz IDZMXJFUKMMLMU-OLZOCXBDSA-N 0 0 304.390 3.201 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000185461497 526705539 /nfs/dbraw/zinc/70/55/39/526705539.db2.gz JUBNHDCCUXVZRF-HNNXBMFYSA-N 0 0 316.445 3.339 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000184954761 526709169 /nfs/dbraw/zinc/70/91/69/526709169.db2.gz GHAVEYSZSNVJBX-ZDUSSCGKSA-N 0 0 303.402 3.191 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000185576524 526711188 /nfs/dbraw/zinc/71/11/88/526711188.db2.gz VDNNTHRRISCXJW-WFASDCNBSA-N 0 0 310.388 3.286 10 30 DGEERN C#CCCCNC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000173329028 526713126 /nfs/dbraw/zinc/71/31/26/526713126.db2.gz AJUYSPSYYKMHGZ-CZUORRHYSA-N 0 0 320.820 3.225 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000185520631 526713694 /nfs/dbraw/zinc/71/36/94/526713694.db2.gz NNNYHHNSLDITAI-JSGCOSHPSA-N 0 0 320.820 3.164 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000185275152 526714391 /nfs/dbraw/zinc/71/43/91/526714391.db2.gz IDZMXJFUKMMLMU-STQMWFEESA-N 0 0 304.390 3.201 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C ZINC000185261584 526714636 /nfs/dbraw/zinc/71/46/36/526714636.db2.gz RSDXKXYCSFMGLZ-AWEZNQCLSA-N 0 0 318.417 3.003 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ncc(OC)cc1Br ZINC000345838563 526715803 /nfs/dbraw/zinc/71/58/03/526715803.db2.gz ALTOQJOAOJOONK-VIFPVBQESA-N 0 0 313.195 3.394 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)Nc2ccc(OC)cc2)no1 ZINC000289081100 526716238 /nfs/dbraw/zinc/71/62/38/526716238.db2.gz IWYWBZZDHKYKRM-LBPRGKRZSA-N 0 0 315.373 3.329 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000185679008 526716388 /nfs/dbraw/zinc/71/63/88/526716388.db2.gz ANBKONZASMIEPM-AWEZNQCLSA-N 0 0 301.386 3.430 10 30 DGEERN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC000291038160 526716999 /nfs/dbraw/zinc/71/69/99/526716999.db2.gz NXIMVWXPOQJCSQ-UHFFFAOYSA-N 0 0 313.361 3.028 10 30 DGEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414535531 526726156 /nfs/dbraw/zinc/72/61/56/526726156.db2.gz IPMOKVWEXWQAHA-MRXNPFEDSA-N 0 0 316.449 3.127 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC000338813322 526728400 /nfs/dbraw/zinc/72/84/00/526728400.db2.gz UTFQZQZBUJNIHD-GOSISDBHSA-N 0 0 318.465 3.060 10 30 DGEERN C#CCCNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000371901106 526732479 /nfs/dbraw/zinc/73/24/79/526732479.db2.gz NTZGMXTYGMPOAF-AWEZNQCLSA-N 0 0 321.218 3.319 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414543366 526734152 /nfs/dbraw/zinc/73/41/52/526734152.db2.gz SXVPXJAVPVPOTC-HOCLYGCPSA-N 0 0 318.465 3.373 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CC1 ZINC000359241908 526736424 /nfs/dbraw/zinc/73/64/24/526736424.db2.gz LYVGSCZKAKUHNK-HUUCEWRRSA-N 0 0 318.465 3.371 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000357960310 526764113 /nfs/dbraw/zinc/76/41/13/526764113.db2.gz DNGQGESVRZWBGJ-HOCLYGCPSA-N 0 0 322.836 3.321 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC000331246633 526765866 /nfs/dbraw/zinc/76/58/66/526765866.db2.gz SOCMGARDNCRTEX-XPKDYRNWSA-N 0 0 305.422 3.448 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000437740928 526774511 /nfs/dbraw/zinc/77/45/11/526774511.db2.gz AYEKEURSNXRWEL-TWMKSMIVSA-N 0 0 308.466 3.483 10 30 DGEERN C=CCOCCNC(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000369975244 526774889 /nfs/dbraw/zinc/77/48/89/526774889.db2.gz RJISABQYQAWBAV-UHFFFAOYSA-N 0 0 324.371 3.056 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1coc2ccc(OC)cc12 ZINC000337744707 526802057 /nfs/dbraw/zinc/80/20/57/526802057.db2.gz SXNZXVJICLKCSB-SJCJKPOMSA-N 0 0 315.369 3.152 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)OCC ZINC000339363193 526806020 /nfs/dbraw/zinc/80/60/20/526806020.db2.gz QMQFCXFZWSVCQN-IRXDYDNUSA-N 0 0 309.450 3.308 10 30 DGEERN C=C(C)[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185465410 526817532 /nfs/dbraw/zinc/81/75/32/526817532.db2.gz WUOZYRXNDUXVIB-BBRMVZONSA-N 0 0 324.371 3.402 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)cc1 ZINC000341334561 526840248 /nfs/dbraw/zinc/84/02/48/526840248.db2.gz AUUWFNYKYOVAAO-KRWDZBQOSA-N 0 0 315.413 3.283 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000355637317 526842082 /nfs/dbraw/zinc/84/20/82/526842082.db2.gz YIKPLWFYPAFGIV-ZBFHGGJFSA-N 0 0 307.340 3.369 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCc1cccc(F)c1 ZINC000437700722 526845842 /nfs/dbraw/zinc/84/58/42/526845842.db2.gz CUYOJYXWMUCLQR-DOTOQJQBSA-N 0 0 320.408 3.039 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)cc1 ZINC000440979725 526849197 /nfs/dbraw/zinc/84/91/97/526849197.db2.gz LVPYIDWVJQBVMB-HNNXBMFYSA-N 0 0 323.392 3.182 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2ccnn2CCC)cc1OC ZINC000031769934 526853308 /nfs/dbraw/zinc/85/33/08/526853308.db2.gz JEXPXZHQRCLYFW-UHFFFAOYSA-N 0 0 315.373 3.119 10 30 DGEERN C=CCOc1ccc(CN([C@H](C)C(=O)OCC)C2CC2)cc1 ZINC000347426558 526864313 /nfs/dbraw/zinc/86/43/13/526864313.db2.gz YQAVATOOHUYNJJ-CQSZACIVSA-N 0 0 303.402 3.167 10 30 DGEERN C=C(CNc1cc(C)nc(-c2ccncc2)n1)c1ccccc1 ZINC000340972168 526865313 /nfs/dbraw/zinc/86/53/13/526865313.db2.gz PKLXUICPAUZWJE-UHFFFAOYSA-N 0 0 302.381 3.394 10 30 DGEERN C=C(CNC(=O)NCc1csc(CC)n1)c1ccccc1 ZINC000352995877 526871592 /nfs/dbraw/zinc/87/15/92/526871592.db2.gz DAGCRJOCYMFZSG-UHFFFAOYSA-N 0 0 301.415 3.218 10 30 DGEERN C=C(CSc1nnc(-c2ccccc2)n1CC)C(=O)OCC ZINC000187651954 526885217 /nfs/dbraw/zinc/88/52/17/526885217.db2.gz ZIKOTAZTIOZPIK-UHFFFAOYSA-N 0 0 317.414 3.176 10 30 DGEERN C=CCOc1ccc(CNc2cc(-c3nncn3C)ccn2)cc1 ZINC000342821874 526891534 /nfs/dbraw/zinc/89/15/34/526891534.db2.gz PNNOVFUUKIRMPI-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN C=C1CCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)CC1 ZINC000336926832 526899528 /nfs/dbraw/zinc/89/95/28/526899528.db2.gz MEHOHCSEAFPDJN-UHFFFAOYSA-N 0 0 305.328 3.303 10 30 DGEERN C=C1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000341998872 526903631 /nfs/dbraw/zinc/90/36/31/526903631.db2.gz IZFWJKBPHNJXSX-UHFFFAOYSA-N 0 0 313.426 3.401 10 30 DGEERN C=C1CCN(Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000360028144 526906560 /nfs/dbraw/zinc/90/65/60/526906560.db2.gz REMNHIPHQCEWOV-UHFFFAOYSA-N 0 0 312.369 3.280 10 30 DGEERN C=CCOc1cccc(NC(=O)NCCCc2ccccn2)c1 ZINC000178928778 526914890 /nfs/dbraw/zinc/91/48/90/526914890.db2.gz AKYSDEWXCWIOJS-UHFFFAOYSA-N 0 0 311.385 3.401 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000170829576 526927745 /nfs/dbraw/zinc/92/77/45/526927745.db2.gz JVGWUOHMQHMBAW-UHFFFAOYSA-N 0 0 320.352 3.289 10 30 DGEERN C=CCOc1cccnc1C(=O)NCCc1cccc2[nH]ccc21 ZINC000337668720 526961225 /nfs/dbraw/zinc/96/12/25/526961225.db2.gz WCUZPBKTFWYJRE-UHFFFAOYSA-N 0 0 321.380 3.100 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](CC)c1nc2ccccc2[nH]1 ZINC000340236983 526994710 /nfs/dbraw/zinc/99/47/10/526994710.db2.gz LSNGPORIHLYQPF-LBPRGKRZSA-N 0 0 318.446 3.232 10 30 DGEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000342909616 527000320 /nfs/dbraw/zinc/00/03/20/527000320.db2.gz XQSAJSPDUGFTJP-ZDUSSCGKSA-N 0 0 318.417 3.051 10 30 DGEERN C=CCSc1ccccc1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000337049912 527008727 /nfs/dbraw/zinc/00/87/27/527008727.db2.gz QYKWHWYZTRZHKU-GFCCVEGCSA-N 0 0 319.348 3.008 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000433287299 527011161 /nfs/dbraw/zinc/01/11/61/527011161.db2.gz OZBGDVPHUZOZNW-CQSZACIVSA-N 0 0 315.417 3.014 10 30 DGEERN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000352469968 527012727 /nfs/dbraw/zinc/01/27/27/527012727.db2.gz GYLVWDDVCCASKV-INIZCTEOSA-N 0 0 314.429 3.010 10 30 DGEERN C=CCC(C)(C)CNS(=O)(=O)c1ccc2ncsc2c1 ZINC000432260138 527019017 /nfs/dbraw/zinc/01/90/17/527019017.db2.gz SHXCJHRBTFFMCE-UHFFFAOYSA-N 0 0 310.444 3.177 10 30 DGEERN C=CCC(C)(C)c1noc(Cn2ccc(=O)c3ccccc32)n1 ZINC000340789305 527020641 /nfs/dbraw/zinc/02/06/41/527020641.db2.gz JUGSLXBOVNRRDL-UHFFFAOYSA-N 0 0 309.369 3.287 10 30 DGEERN C=CCC(CC=C)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000342341165 527021527 /nfs/dbraw/zinc/02/15/27/527021527.db2.gz JAQPPSIKVBECFI-UHFFFAOYSA-N 0 0 312.413 3.302 10 30 DGEERN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000132293739 527021637 /nfs/dbraw/zinc/02/16/37/527021637.db2.gz BEELQQIWLBMRRF-QGZVFWFLSA-N 0 0 312.413 3.019 10 30 DGEERN C=CC[C@@H](C)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000337490493 527022138 /nfs/dbraw/zinc/02/21/38/527022138.db2.gz DTOSWCNKFRTYKC-MRVPVSSYSA-N 0 0 318.161 3.351 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000364003044 527026392 /nfs/dbraw/zinc/02/63/92/527026392.db2.gz OEATYQOLQXJFLI-INIZCTEOSA-N 0 0 318.417 3.177 10 30 DGEERN C=CCC1(C(=O)N(C)CCOCc2ccc(C#N)cc2)CCC1 ZINC000346231516 527038608 /nfs/dbraw/zinc/03/86/08/527038608.db2.gz XKEDBJCDWPHUGG-UHFFFAOYSA-N 0 0 312.413 3.280 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(OC(C)C)cc2)CCOCC1 ZINC000424572507 527056014 /nfs/dbraw/zinc/05/60/14/527056014.db2.gz HILLAAOVHXINGM-UHFFFAOYSA-N 0 0 317.429 3.463 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CCC1 ZINC000189281948 527057763 /nfs/dbraw/zinc/05/77/63/527057763.db2.gz ITSPBDLZJNLXPC-CYBMUJFWSA-N 0 0 319.836 3.176 10 30 DGEERN C=CCC1(C(=O)Nc2ncc(C(F)(F)F)s2)CCOCC1 ZINC000425558475 527062276 /nfs/dbraw/zinc/06/22/76/527062276.db2.gz DRTAMEKYULHOFV-UHFFFAOYSA-N 0 0 320.336 3.473 10 30 DGEERN C=CCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181343491 527069023 /nfs/dbraw/zinc/06/90/23/527069023.db2.gz BZQSPXUOTZRSPN-HNNXBMFYSA-N 0 0 310.401 3.144 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1sc(C2CCCC2)nc1C ZINC000342163987 527077853 /nfs/dbraw/zinc/07/78/53/527077853.db2.gz OUNFMZDJYAOMTL-GFCCVEGCSA-N 0 0 308.447 3.024 10 30 DGEERN C=CC[C@@H](CO)CNc1cc(N(CC)c2ccccc2)ncn1 ZINC000432134641 527084361 /nfs/dbraw/zinc/08/43/61/527084361.db2.gz VACRMNKQYJQNGR-OAHLLOKOSA-N 0 0 312.417 3.231 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435335081 527094354 /nfs/dbraw/zinc/09/43/54/527094354.db2.gz JLPMBVZVRATQLY-NSHDSACASA-N 0 0 324.808 3.112 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000183389791 527095213 /nfs/dbraw/zinc/09/52/13/527095213.db2.gz GYOBEDTULZMMFD-AWEZNQCLSA-N 0 0 317.414 3.177 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000412848862 527110943 /nfs/dbraw/zinc/11/09/43/527110943.db2.gz ZIWPYHGCRHTHDK-JKSUJKDBSA-N 0 0 309.413 3.133 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000184097658 527134324 /nfs/dbraw/zinc/13/43/24/527134324.db2.gz VKBAWJZTTRUQGZ-JTQLQIEISA-N 0 0 318.402 3.300 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000288285332 527160216 /nfs/dbraw/zinc/16/02/16/527160216.db2.gz VMRIUHXVYVZWGU-HKUYNNGSSA-N 0 0 321.424 3.496 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(OC)cccc1OC ZINC000287360423 527162263 /nfs/dbraw/zinc/16/22/63/527162263.db2.gz NRMRNICTOWSVFS-INIZCTEOSA-N 0 0 323.392 3.068 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000285666430 527171355 /nfs/dbraw/zinc/17/13/55/527171355.db2.gz FPVYAFNHZWVRFW-IPMKNSEASA-N 0 0 313.441 3.333 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000286425233 527173637 /nfs/dbraw/zinc/17/36/37/527173637.db2.gz BJQSXEOMEVWICM-RTBURBONSA-N 0 0 318.420 3.252 10 30 DGEERN C=CCCCN(C)C(=O)COc1ccc(CC=C)cc1OC ZINC000346769438 527181258 /nfs/dbraw/zinc/18/12/58/527181258.db2.gz QBEQZGIJRWZUDT-UHFFFAOYSA-N 0 0 303.402 3.227 10 30 DGEERN C=CCCCN(C)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000076489584 527181571 /nfs/dbraw/zinc/18/15/71/527181571.db2.gz OSZWMUOGFRAUFF-UHFFFAOYSA-N 0 0 301.415 3.172 10 30 DGEERN C=CCCCN(C)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000076485727 527182366 /nfs/dbraw/zinc/18/23/66/527182366.db2.gz SATRXTKAHFLCFY-UHFFFAOYSA-N 0 0 324.424 3.384 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000133406669 527183721 /nfs/dbraw/zinc/18/37/21/527183721.db2.gz VUZHEKRTFLAFBF-UHFFFAOYSA-N 0 0 307.463 3.172 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC000076947956 527185299 /nfs/dbraw/zinc/18/52/99/527185299.db2.gz WYPYHZXHYVSBMQ-UHFFFAOYSA-N 0 0 306.406 3.202 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000413831320 527185379 /nfs/dbraw/zinc/18/53/79/527185379.db2.gz HNESFGJNKURMJL-RDJZCZTQSA-N 0 0 302.418 3.406 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160422204 527188248 /nfs/dbraw/zinc/18/82/48/527188248.db2.gz HVPQPUWOKLYXCK-INIZCTEOSA-N 0 0 304.390 3.284 10 30 DGEERN C=CCCCN(C)C(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000340558994 527191109 /nfs/dbraw/zinc/19/11/09/527191109.db2.gz ZPGWSWMWPLCWCT-ZDUSSCGKSA-N 0 0 308.447 3.384 10 30 DGEERN C=CC[C@H](CO)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000185896545 527192492 /nfs/dbraw/zinc/19/24/92/527192492.db2.gz QWQQNDFMVVRYCL-GOSISDBHSA-N 0 0 309.409 3.262 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H](C)CC)n1C[C@@H]1CCOC1 ZINC000339161512 527195297 /nfs/dbraw/zinc/19/52/97/527195297.db2.gz FYVCZBVDVOYBSI-GJZGRUSLSA-N 0 0 306.454 3.231 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2ccccn2)n1CC(C)C ZINC000338987018 527195979 /nfs/dbraw/zinc/19/59/79/527195979.db2.gz XWPJFSIYASSRFQ-UHFFFAOYSA-N 0 0 313.449 3.322 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000183314669 527198473 /nfs/dbraw/zinc/19/84/73/527198473.db2.gz MYMVODLEYRGMDJ-DZGCQCFKSA-N 0 0 322.474 3.484 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000185561837 527199904 /nfs/dbraw/zinc/19/99/04/527199904.db2.gz JUGXDTHSZKTEAD-IAGOWNOFSA-N 0 0 302.418 3.154 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1OCCC ZINC000184194564 527201527 /nfs/dbraw/zinc/20/15/27/527201527.db2.gz IGQIQCSQOKBIAK-GFCCVEGCSA-N 0 0 312.797 3.187 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000185798937 527204466 /nfs/dbraw/zinc/20/44/66/527204466.db2.gz BVENSDSQYBDFMH-SUMWQHHRSA-N 0 0 313.397 3.005 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000185696261 527205599 /nfs/dbraw/zinc/20/55/99/527205599.db2.gz NLEUADNJGIYDTE-MCIONIFRSA-N 0 0 314.212 3.150 10 30 DGEERN C=CCCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000354441711 527217208 /nfs/dbraw/zinc/21/72/08/527217208.db2.gz NAXMHYQSOKBRNT-UHFFFAOYSA-N 0 0 313.401 3.077 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC2CCN(c3ccccn3)CC2)c1 ZINC000302026559 527224986 /nfs/dbraw/zinc/22/49/86/527224986.db2.gz LGXPWYXWXKLOLF-UHFFFAOYSA-N 0 0 320.396 3.237 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](c2ccsc2)C1 ZINC000302107514 527229158 /nfs/dbraw/zinc/22/91/58/527229158.db2.gz OCYMLQMRLNWWDJ-QGZVFWFLSA-N 0 0 312.394 3.400 10 30 DGEERN C=CCc1cc(CNC(=O)N[C@@H]2CC[C@@H]2C)cc(OC)c1OC ZINC000347818135 527240469 /nfs/dbraw/zinc/24/04/69/527240469.db2.gz TVKNCBRBQKZVDY-SWLSCSKDSA-N 0 0 318.417 3.030 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)c1c(C)noc1C ZINC000186449426 527246767 /nfs/dbraw/zinc/24/67/67/527246767.db2.gz TZGNNBRENNHDDP-UHFFFAOYSA-N 0 0 316.313 3.190 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000181398312 527263404 /nfs/dbraw/zinc/26/34/04/527263404.db2.gz OQRTXPIZTYXNLG-CZUORRHYSA-N 0 0 306.406 3.416 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000180325580 527265346 /nfs/dbraw/zinc/26/53/46/527265346.db2.gz YJQJDOZJXQRXOT-UKRRQHHQSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(F)(F)C1 ZINC000337892826 527266571 /nfs/dbraw/zinc/26/65/71/527266571.db2.gz BECGTNUEKODKDQ-UHFFFAOYSA-N 0 0 308.332 3.186 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C)o1 ZINC000282173905 527271078 /nfs/dbraw/zinc/27/10/78/527271078.db2.gz DWDIHXTXERQMIH-UHFFFAOYSA-N 0 0 323.400 3.372 10 30 DGEERN C=CCCC[C@@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 ZINC000360544012 527273561 /nfs/dbraw/zinc/27/35/61/527273561.db2.gz ISDPPFPUNHAMRQ-CYBMUJFWSA-N 0 0 322.478 3.287 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1ccc(F)cc1 ZINC000337908879 527278960 /nfs/dbraw/zinc/27/89/60/527278960.db2.gz OONWXYTTWIFLEZ-UHFFFAOYSA-N 0 0 312.348 3.500 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N(C)CCCSC ZINC000350740602 527281739 /nfs/dbraw/zinc/28/17/39/527281739.db2.gz FLHDNSWBWHGWGA-UHFFFAOYSA-N 0 0 317.462 3.024 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000181414321 527286653 /nfs/dbraw/zinc/28/66/53/527286653.db2.gz SMEZBBPUHTYKOK-HOCLYGCPSA-N 0 0 304.438 3.110 10 30 DGEERN C=CCn1c(C(C)C)nnc1N(CCC)C[C@@H]1CCCCO1 ZINC000350729053 527290352 /nfs/dbraw/zinc/29/03/52/527290352.db2.gz IIKWRYZYUYVBLG-HNNXBMFYSA-N 0 0 306.454 3.373 10 30 DGEERN C=CCn1c(C(C)C)nnc1N(CC)CCc1nccs1 ZINC000351075373 527290676 /nfs/dbraw/zinc/29/06/76/527290676.db2.gz PFMLRBMJTTVZIN-UHFFFAOYSA-N 0 0 305.451 3.113 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000337904646 527291093 /nfs/dbraw/zinc/29/10/93/527291093.db2.gz MBWNMRVAWQFFBX-NSHDSACASA-N 0 0 302.344 3.366 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185925943 527291971 /nfs/dbraw/zinc/29/19/71/527291971.db2.gz HHRNGGYLFKJVRK-ARFHVFGLSA-N 0 0 324.465 3.005 10 30 DGEERN C=CCn1c(C)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000337905757 527298546 /nfs/dbraw/zinc/29/85/46/527298546.db2.gz MSCXZAGSUJSIKM-UHFFFAOYSA-N 0 0 324.428 3.180 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337864023 527300715 /nfs/dbraw/zinc/30/07/15/527300715.db2.gz OXEIYTBKWAULOB-KRWDZBQOSA-N 0 0 318.371 3.295 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1cnc(C)s1 ZINC000337906542 527315886 /nfs/dbraw/zinc/31/58/86/527315886.db2.gz NIIMVFDBKGUQDV-UHFFFAOYSA-N 0 0 319.478 3.454 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000337814328 527320811 /nfs/dbraw/zinc/32/08/11/527320811.db2.gz NDARIIVUWBFUCP-HUUCEWRRSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000337814326 527320881 /nfs/dbraw/zinc/32/08/81/527320881.db2.gz NDARIIVUWBFUCP-GJZGRUSLSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000350740339 527327768 /nfs/dbraw/zinc/32/77/68/527327768.db2.gz ANRLVNQWKBHRKG-KGLIPLIRSA-N 0 0 300.431 3.105 10 30 DGEERN C=CCCOCCCCC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000342976888 527335152 /nfs/dbraw/zinc/33/51/52/527335152.db2.gz FWCJJOBOPNPTJF-RDJZCZTQSA-N 0 0 317.429 3.430 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1ccoc1C ZINC000442911419 527338012 /nfs/dbraw/zinc/33/80/12/527338012.db2.gz IVMUNYDYOARGHD-UHFFFAOYSA-N 0 0 305.403 3.040 10 30 DGEERN C=CCCOCCCCC(=O)Nc1nc2cccnc2n1CC ZINC000349903334 527338353 /nfs/dbraw/zinc/33/83/53/527338353.db2.gz NDVQAYXVXRILAI-UHFFFAOYSA-N 0 0 316.405 3.153 10 30 DGEERN C=CCn1c(Sc2nc([C@@H](C)OC)ns2)nnc1C1CC1 ZINC000337915992 527346499 /nfs/dbraw/zinc/34/64/99/527346499.db2.gz PZDVPNJYCFKUJR-MRVPVSSYSA-N 0 0 323.447 3.052 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)C[C@@H]1CCCCO1 ZINC000424133022 527351253 /nfs/dbraw/zinc/35/12/53/527351253.db2.gz YPAUTVJQWIQCAD-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@H](C)C1CC1 ZINC000351117162 527352489 /nfs/dbraw/zinc/35/24/89/527352489.db2.gz PODYSKNFXPKNMQ-DYVFJYSZSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CC(=C)C ZINC000337915474 527352856 /nfs/dbraw/zinc/35/28/56/527352856.db2.gz TVDNDSLYPNGMCE-INIZCTEOSA-N 0 0 310.401 3.153 10 30 DGEERN C=CCCOCCNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000339886335 527364195 /nfs/dbraw/zinc/36/41/95/527364195.db2.gz DQASEFATBGQEGJ-UHFFFAOYSA-N 0 0 310.756 3.283 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000412791898 527371768 /nfs/dbraw/zinc/37/17/68/527371768.db2.gz HOVHKZPOUPZCLT-INIZCTEOSA-N 0 0 301.430 3.404 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128846146 527375823 /nfs/dbraw/zinc/37/58/23/527375823.db2.gz CQNSFBBNBNSWEH-WMLDXEAASA-N 0 0 321.392 3.015 10 30 DGEERN CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(C#N)ccn1 ZINC000436014208 527376753 /nfs/dbraw/zinc/37/67/53/527376753.db2.gz QDOOCXRMVPLVOQ-UHFFFAOYSA-N 0 0 315.760 3.403 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000353928550 527386599 /nfs/dbraw/zinc/38/65/99/527386599.db2.gz RYALBLBMZGQKOI-NSHDSACASA-N 0 0 303.387 3.125 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000342928396 527391259 /nfs/dbraw/zinc/39/12/59/527391259.db2.gz NLRKWAMQSMAMKJ-UKRRQHHQSA-N 0 0 317.385 3.060 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000130376884 527416384 /nfs/dbraw/zinc/41/63/84/527416384.db2.gz VSHWFPNDFUTYON-JTQLQIEISA-N 0 0 318.236 3.006 10 30 DGEERN C=C[C@@H](CC(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000135355954 527417906 /nfs/dbraw/zinc/41/79/06/527417906.db2.gz ZKCSFNQHUZBFCI-INIZCTEOSA-N 0 0 323.440 3.486 10 30 DGEERN C#Cc1ccc(CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1 ZINC000296951428 527436994 /nfs/dbraw/zinc/43/69/94/527436994.db2.gz RFTGADLHLAXEEO-ZDUSSCGKSA-N 0 0 308.385 3.157 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC[C@H](n3ccnc3CC)C2)c1 ZINC000133189381 527454544 /nfs/dbraw/zinc/45/45/44/527454544.db2.gz NMAUUUDKIAAOIB-KRWDZBQOSA-N 0 0 322.412 3.296 10 30 DGEERN C=CCC[C@H](C(=O)NC[C@@H](CO)c1cccnc1)c1ccccc1 ZINC000360448760 527463260 /nfs/dbraw/zinc/46/32/60/527463260.db2.gz VJYTUHXHQRSRLQ-OALUTQOASA-N 0 0 324.424 3.024 10 30 DGEERN C=CCC[C@H](O)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305538 527489317 /nfs/dbraw/zinc/48/93/17/527489317.db2.gz LUAYGKCBXYCSOQ-LSDHHAIUSA-N 0 0 305.422 3.191 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccccc1C(C)(C)C ZINC000424914451 527492593 /nfs/dbraw/zinc/49/25/93/527492593.db2.gz NDAPCGQGOWVKTE-HOCLYGCPSA-N 0 0 317.429 3.070 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000424929574 527494397 /nfs/dbraw/zinc/49/43/97/527494397.db2.gz BSNCRNFYHZUSQW-MKBNYLNASA-N 0 0 309.356 3.166 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000425571345 527494706 /nfs/dbraw/zinc/49/47/06/527494706.db2.gz HTZZZWYBUGGCLZ-XIRDDKMYSA-N 0 0 302.418 3.289 10 30 DGEERN C=CCN(C(=O)COc1ccc(Cl)c2cccnc12)C1CC1 ZINC000357944862 527535660 /nfs/dbraw/zinc/53/56/60/527535660.db2.gz NNAHGOLLKLVCRY-UHFFFAOYSA-N 0 0 316.788 3.444 10 30 DGEERN C=CCN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000357510250 527549496 /nfs/dbraw/zinc/54/94/96/527549496.db2.gz JUQGZWLNBJRYSX-UHFFFAOYSA-N 0 0 309.369 3.405 10 30 DGEERN C=CCN(C)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000428282280 527568257 /nfs/dbraw/zinc/56/82/57/527568257.db2.gz PDXQPCVEPZBYLD-OAHLLOKOSA-N 0 0 301.434 3.138 10 30 DGEERN C=CCN(C)c1nnc(-c2ccoc2)n1Cc1cccs1 ZINC000339107147 527579452 /nfs/dbraw/zinc/57/94/52/527579452.db2.gz OVMQFYGZXPGTCN-UHFFFAOYSA-N 0 0 300.387 3.270 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cc(C)ccc1OC ZINC000342015646 527587363 /nfs/dbraw/zinc/58/73/63/527587363.db2.gz WEOHGPHPHMYLBH-UHFFFAOYSA-N 0 0 301.308 3.123 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1sccc1C#N ZINC000154895933 527587560 /nfs/dbraw/zinc/58/75/60/527587560.db2.gz DKLDCAKSLKORDE-JTQLQIEISA-N 0 0 316.430 3.371 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413284175 527588221 /nfs/dbraw/zinc/58/82/21/527588221.db2.gz OPKYSTITVOBNHS-OCCSQVGLSA-N 0 0 301.283 3.448 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000253480201 527588416 /nfs/dbraw/zinc/58/84/16/527588416.db2.gz VMGZRPQWRYQVKZ-UHFFFAOYSA-N 0 0 303.328 3.137 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1csc(C(F)(F)F)n1 ZINC000341109930 527588987 /nfs/dbraw/zinc/58/89/87/527588987.db2.gz OAZYPIZLLDTYBV-UHFFFAOYSA-N 0 0 318.242 3.352 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000437881295 527620903 /nfs/dbraw/zinc/62/09/03/527620903.db2.gz BCUQTFAIODEWJM-BCXHYRKLSA-N 0 0 317.429 3.285 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439654432 527621275 /nfs/dbraw/zinc/62/12/75/527621275.db2.gz YUADEQCTDDUILX-JJRVBVJISA-N 0 0 300.402 3.323 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000341219965 527621995 /nfs/dbraw/zinc/62/19/95/527621995.db2.gz MIUJYCIMSWYUKJ-GOSISDBHSA-N 0 0 314.385 3.411 10 30 DGEERN C=CCN(CC=C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173030248 527640747 /nfs/dbraw/zinc/64/07/47/527640747.db2.gz FFHGPEIOFUHPBF-UHFFFAOYSA-N 0 0 309.369 3.428 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000341124487 527641175 /nfs/dbraw/zinc/64/11/75/527641175.db2.gz OLXDCECOKWPQPZ-UHFFFAOYSA-N 0 0 301.777 3.340 10 30 DGEERN CCCN(C(=O)c1cc(C#N)cn1C)[C@H]1CCc2ccccc2C1 ZINC000176884528 527782177 /nfs/dbraw/zinc/78/21/77/527782177.db2.gz JYCCUIFPADAQSN-SFHVURJKSA-N 0 0 321.424 3.306 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccnnc2C)C12CCCC2 ZINC000330167608 528070712 /nfs/dbraw/zinc/07/07/12/528070712.db2.gz ZDVGPTRHYFEEFO-CABCVRRESA-N 0 0 318.421 3.000 10 30 DGEERN CC1=NN(c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2)CC1 ZINC000441148303 528148225 /nfs/dbraw/zinc/14/82/25/528148225.db2.gz SKRARLKHFZXMNN-UHFFFAOYSA-N 0 0 324.428 3.332 10 30 DGEERN CCC[C@]1(C(=O)OCC)CCCN1Cc1ccc(C#N)cc1 ZINC000444786682 528488688 /nfs/dbraw/zinc/48/86/88/528488688.db2.gz OMKSJLXPJDFRKI-GOSISDBHSA-N 0 0 300.402 3.256 10 30 DGEERN CC(C)C[C@H](CCO)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180605937 528497568 /nfs/dbraw/zinc/49/75/68/528497568.db2.gz LKHIJJCJPPHEPU-HNNXBMFYSA-N 0 0 314.429 3.016 10 30 DGEERN CCc1cccc(CC)c1NC(=O)CN(CCC#N)CC1CC1 ZINC000174692853 529164325 /nfs/dbraw/zinc/16/43/25/529164325.db2.gz VBFLAJXDWNJRDT-UHFFFAOYSA-N 0 0 313.445 3.376 10 30 DGEERN CC[C@@H](C#N)NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000174442903 529266733 /nfs/dbraw/zinc/26/67/33/529266733.db2.gz KPOPBEFVXUKNNH-IBGZPJMESA-N 0 0 321.424 3.107 10 30 DGEERN CC#CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000179469098 546135962 /nfs/dbraw/zinc/13/59/62/546135962.db2.gz YARHFQRXZYGQAA-AWEZNQCLSA-N 0 0 310.319 3.479 10 30 DGEERN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1Br ZINC000181146473 546154558 /nfs/dbraw/zinc/15/45/58/546154558.db2.gz SCLMMRNLZHUCED-SECBINFHSA-N 0 0 318.174 3.140 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1ccc(Cl)cn1 ZINC000182153569 546164263 /nfs/dbraw/zinc/16/42/63/546164263.db2.gz XUIFHKWWOVXUPK-UHFFFAOYSA-N 0 0 302.761 3.230 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000183762516 546178342 /nfs/dbraw/zinc/17/83/42/546178342.db2.gz DJWUXBRMIWIDPS-LJQANCHMSA-N 0 0 324.424 3.132 10 30 DGEERN C[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)c1ccc(Cl)s1 ZINC000328796753 546481577 /nfs/dbraw/zinc/48/15/77/546481577.db2.gz VCZDZLALQZUTKF-YUMQZZPRSA-N 0 0 310.810 3.342 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)c1ccc3nccnc3c1)CCC2 ZINC000328821872 546481697 /nfs/dbraw/zinc/48/16/97/546481697.db2.gz OZILFKLZSFFEMA-AWEZNQCLSA-N 0 0 321.384 3.017 10 30 DGEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc2c(c1)COC2 ZINC000329613153 546488451 /nfs/dbraw/zinc/48/84/51/546488451.db2.gz DUIJGIPILZQOEF-LLVKDONJSA-N 0 0 313.401 3.003 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]2C#N)cs1 ZINC000330099228 546495404 /nfs/dbraw/zinc/49/54/04/546495404.db2.gz CTRYDMYWDFKSSF-OUCADQQQSA-N 0 0 304.419 3.195 10 30 DGEERN Cc1nnccc1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000330142805 546495458 /nfs/dbraw/zinc/49/54/58/546495458.db2.gz YMCSCSTVNANNAW-UHFFFAOYSA-N 0 0 302.300 3.232 10 30 DGEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000332771433 546499728 /nfs/dbraw/zinc/49/97/28/546499728.db2.gz SFEJVMLVIOZFTR-VSZNYVQBSA-N 0 0 312.413 3.271 10 30 DGEERN C=CCn1c(S[C@@H](C)[C@H](C)O)nnc1-c1cccc(OC)c1 ZINC000359772157 546711601 /nfs/dbraw/zinc/71/16/01/546711601.db2.gz ZDBQOJBRJKTJNN-RYUDHWBXSA-N 0 0 319.430 3.001 10 30 DGEERN C=CCCCCNC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413449021 546777201 /nfs/dbraw/zinc/77/72/01/546777201.db2.gz GGWPEEGLWJUWBA-HNNXBMFYSA-N 0 0 305.397 3.060 10 30 DGEERN C=CCN(CC[C@@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000437692464 546826192 /nfs/dbraw/zinc/82/61/92/546826192.db2.gz OPCMNXCFYSQDLF-HOTGVXAUSA-N 0 0 301.496 3.268 10 30 DGEERN C=CCn1c(S[C@H](C)[C@H](C)O)nnc1-c1cccc(C)c1 ZINC000445589820 546839281 /nfs/dbraw/zinc/83/92/81/546839281.db2.gz XTEOEODPCGVOGU-QWHCGFSZSA-N 0 0 303.431 3.301 10 30 DGEERN C#CCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960539 549810531 /nfs/dbraw/zinc/81/05/31/549810531.db2.gz PRENTAQNNVHYND-UHFFFAOYSA-N 0 0 301.386 3.406 10 30 DGEERN C=CC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685962112 549810847 /nfs/dbraw/zinc/81/08/47/549810847.db2.gz UTOVPCUMDQBWKS-CJNGLKHVSA-N 0 0 319.401 3.240 10 30 DGEERN C#CCN1CCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000730277432 574523576 /nfs/dbraw/zinc/52/35/76/574523576.db2.gz SXOCWAAICABTCD-HNNXBMFYSA-N 0 0 320.820 3.163 10 30 DGEERN C#CCOc1cccc(COC(=O)Cc2ccc(OCC)cc2)c1 ZINC000730403652 574528669 /nfs/dbraw/zinc/52/86/69/574528669.db2.gz VJLBDVVRJBZVNA-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000730428464 574528966 /nfs/dbraw/zinc/52/89/66/574528966.db2.gz DTJMDRRCRMQRSD-ZWNOBZJWSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1cccc(COC(=O)Cc2ccc(C)s2)c1 ZINC000730405659 574528974 /nfs/dbraw/zinc/52/89/74/574528974.db2.gz ZSWUEPIZJWTYAQ-UHFFFAOYSA-N 0 0 300.379 3.354 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000730405578 574529005 /nfs/dbraw/zinc/52/90/05/574529005.db2.gz YKSJCEBQKJTDRA-HNNXBMFYSA-N 0 0 310.349 3.209 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@@H](C)OCCC=C)cc1 ZINC000730428884 574529113 /nfs/dbraw/zinc/52/91/13/574529113.db2.gz HPSYGPXCXPEYKV-LSDHHAIUSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000730516512 574530878 /nfs/dbraw/zinc/53/08/78/574530878.db2.gz LSOBSAXVGJKXPP-MRXNPFEDSA-N 0 0 317.747 3.349 10 30 DGEERN C#CCOc1cccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000730976259 574540749 /nfs/dbraw/zinc/54/07/49/574540749.db2.gz IMPZNWBSCQHOKV-UHFFFAOYSA-N 0 0 319.360 3.009 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000731110999 574543647 /nfs/dbraw/zinc/54/36/47/574543647.db2.gz MLBWMHNEXKEYJI-QZTJIDSGSA-N 0 0 306.365 3.376 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000731112746 574543755 /nfs/dbraw/zinc/54/37/55/574543755.db2.gz DEHZDLOXTQQJTD-GOSISDBHSA-N 0 0 320.392 3.378 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)C1CCSCC1 ZINC000733053744 574593559 /nfs/dbraw/zinc/59/35/59/574593559.db2.gz MTXOXFQNKZFFNE-ZDUSSCGKSA-N 0 0 304.411 3.446 10 30 DGEERN CCC[C@@H](CC1CCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000733220021 574608268 /nfs/dbraw/zinc/60/82/68/574608268.db2.gz DLXSSSZRIRYZCT-WMZOPIPTSA-N 0 0 317.477 3.182 10 30 DGEERN C#CCCNC(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC000733247273 574610083 /nfs/dbraw/zinc/61/00/83/574610083.db2.gz LUGLADRAIYAYHQ-UHFFFAOYSA-N 0 0 307.393 3.256 10 30 DGEERN C#CCCNC(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000733343618 574616984 /nfs/dbraw/zinc/61/69/84/574616984.db2.gz OVLQXXCXLCGBGZ-UHFFFAOYSA-N 0 0 302.393 3.350 10 30 DGEERN C#CCCNC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000733357047 574617659 /nfs/dbraw/zinc/61/76/59/574617659.db2.gz PRQLMSWHROFFCL-LBPRGKRZSA-N 0 0 308.784 3.219 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1cscn1 ZINC000733697369 574634579 /nfs/dbraw/zinc/63/45/79/574634579.db2.gz HPUKJKKCRYHZAA-CYBMUJFWSA-N 0 0 315.394 3.392 10 30 DGEERN C#CCCNC(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000733648847 574633028 /nfs/dbraw/zinc/63/30/28/574633028.db2.gz RIUOWTAFGQMFQW-SFHVURJKSA-N 0 0 308.381 3.129 10 30 DGEERN C=C(COC(=O)CCc1ccc(C(C)C)cc1)C(=O)OCC ZINC000734029701 574647785 /nfs/dbraw/zinc/64/77/85/574647785.db2.gz QGDXXBRDFGRPRR-UHFFFAOYSA-N 0 0 304.386 3.405 10 30 DGEERN C=C(COC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)OCC ZINC000734029720 574647809 /nfs/dbraw/zinc/64/78/09/574647809.db2.gz MDVRQKGYQLSHKI-UHFFFAOYSA-N 0 0 316.397 3.469 10 30 DGEERN C=C(COC(=O)CCSc1ccc(C)cc1)C(=O)OCC ZINC000734024810 574648408 /nfs/dbraw/zinc/64/84/08/574648408.db2.gz PTKPTEFLQAPVNK-UHFFFAOYSA-N 0 0 308.399 3.140 10 30 DGEERN C=C(COC(=O)c1oc2ccc(OC)cc2c1C)C(=O)OCC ZINC000734022875 574648448 /nfs/dbraw/zinc/64/84/48/574648448.db2.gz MAHZICNHVQXZKZ-UHFFFAOYSA-N 0 0 318.325 3.026 10 30 DGEERN C=C(COC(=O)Cc1ccc(Cl)cc1Cl)C(=O)OCC ZINC000734023759 574648497 /nfs/dbraw/zinc/64/84/97/574648497.db2.gz BHCKMSUTBALHAU-UHFFFAOYSA-N 0 0 317.168 3.198 10 30 DGEERN C=CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccncc1 ZINC000734456370 574662723 /nfs/dbraw/zinc/66/27/23/574662723.db2.gz XREKDGAMVQHCAM-MRXNPFEDSA-N 0 0 311.341 3.345 10 30 DGEERN N#CCOc1ccc(Cl)cc1COc1cccnc1[N+](=O)[O-] ZINC000735231367 574691936 /nfs/dbraw/zinc/69/19/36/574691936.db2.gz TZCQPERBFMPTKK-UHFFFAOYSA-N 0 0 319.704 3.125 10 30 DGEERN N#CCOc1ccc(Cl)cc1Cn1c(=O)oc2ccccc21 ZINC000735231654 574691943 /nfs/dbraw/zinc/69/19/43/574691943.db2.gz YAUZBMAJPFSEDK-UHFFFAOYSA-N 0 0 314.728 3.199 10 30 DGEERN Cc1cc(N)nc(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000735230749 574692130 /nfs/dbraw/zinc/69/21/30/574692130.db2.gz PVUQJJMEYKNAQG-UHFFFAOYSA-N 0 0 320.805 3.215 10 30 DGEERN CCO[C@@H](CC)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735347515 574699228 /nfs/dbraw/zinc/69/92/28/574699228.db2.gz JFHTZYRZNWMFKI-ZDUSSCGKSA-N 0 0 311.765 3.101 10 30 DGEERN CC(=CC(=O)Nc1ccncc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC000735439479 574702227 /nfs/dbraw/zinc/70/22/27/574702227.db2.gz ZWKCMAHEYCWGBI-PQMHYQBVSA-N 0 0 321.424 3.476 10 30 DGEERN C=C(Cl)CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000736246236 574738272 /nfs/dbraw/zinc/73/82/72/574738272.db2.gz SFKZHXGVPLMIMT-UHFFFAOYSA-N 0 0 305.805 3.397 10 30 DGEERN C=CCOC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000738663211 574876641 /nfs/dbraw/zinc/87/66/41/574876641.db2.gz ZMKJSDUVVICQQU-UHFFFAOYSA-N 0 0 308.131 3.046 10 30 DGEERN C#CCSCCNC(=O)NCc1ccc(Cl)cc1Cl ZINC000740071745 574922074 /nfs/dbraw/zinc/92/20/74/574922074.db2.gz SYUVOGFUDDTAQJ-UHFFFAOYSA-N 0 0 317.241 3.159 10 30 DGEERN CC(C)CN(CCC#N)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000741678296 574966487 /nfs/dbraw/zinc/96/64/87/574966487.db2.gz NEQKXXIULQRORI-ZFWWWQNUSA-N 0 0 306.356 3.467 10 30 DGEERN C#CCNC(=O)c1ccc(N[C@H](CC2CC2)c2ccccc2)nc1 ZINC000742417760 574998610 /nfs/dbraw/zinc/99/86/10/574998610.db2.gz KJMPHXFGZCQZOK-GOSISDBHSA-N 0 0 319.408 3.398 10 30 DGEERN C=C(C)COC(=O)CSc1nncn1-c1ccccc1CC ZINC000729069183 575213421 /nfs/dbraw/zinc/21/34/21/575213421.db2.gz LHBAYOFADRMUHI-UHFFFAOYSA-N 0 0 317.414 3.041 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC(C)C ZINC000729481743 575251323 /nfs/dbraw/zinc/25/13/23/575251323.db2.gz KIMADDMEODYVIO-UHFFFAOYSA-N 0 0 313.375 3.078 10 30 DGEERN C=C(Br)COC(=O)[C@@H](CC)c1c(C)noc1C ZINC000726005706 575982732 /nfs/dbraw/zinc/98/27/32/575982732.db2.gz BHMRIJNDMOMZGC-JTQLQIEISA-N 0 0 302.168 3.237 10 30 DGEERN C#CCCOc1ccc(C=NNCc2ccc(F)cc2F)cc1 ZINC000727060621 576099660 /nfs/dbraw/zinc/09/96/60/576099660.db2.gz SUAMYGVUUCALSC-UHFFFAOYSA-N 0 0 314.335 3.491 10 30 DGEERN C=CCNC(=O)[C@H](C)OC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000727213798 576112565 /nfs/dbraw/zinc/11/25/65/576112565.db2.gz OVXDNLRJNDLUDX-DZGCQCFKSA-N 0 0 321.442 3.037 10 30 DGEERN Cc1ccc(NN=C2c3ccc(Cl)c(Cl)c3NC2=O)nc1 ZINC000727259554 576116138 /nfs/dbraw/zinc/11/61/38/576116138.db2.gz JDEXXJXTGYEULQ-UHFFFAOYSA-N 0 0 321.167 3.465 10 30 DGEERN CCOc1c(OC)cc(C=NNc2ccc(C)cn2)cc1OC ZINC000727260124 576116660 /nfs/dbraw/zinc/11/66/60/576116660.db2.gz RDHRMQFFKXVCJP-UHFFFAOYSA-N 0 0 315.373 3.252 10 30 DGEERN Cc1ccc(N=NCc2ccc(OC[C@H]3CCCO3)cc2)nc1 ZINC000727260578 576116885 /nfs/dbraw/zinc/11/68/85/576116885.db2.gz ZKVLMBCSCFMGBB-QGZVFWFLSA-N 0 0 311.385 3.394 10 30 DGEERN N#Cc1ccc(N2CCC[C@H]2C(=O)OCCc2ccccc2)cc1 ZINC000728348166 576177888 /nfs/dbraw/zinc/17/78/88/576177888.db2.gz LEFXMBILDWKAJD-IBGZPJMESA-N 0 0 320.392 3.313 10 30 DGEERN O=C1c2ccccc2OCC/C1=C/c1ccc(-n2cncn2)cc1 ZINC000728440970 576181810 /nfs/dbraw/zinc/18/18/10/576181810.db2.gz BDEHKABPWSCGOF-PTNGSMBKSA-N 0 0 317.348 3.316 10 30 DGEERN CC(C)COc1ncccc1C(=O)OCc1ccc(C#N)cc1 ZINC000728669836 576194509 /nfs/dbraw/zinc/19/45/09/576194509.db2.gz FSIQCEDGTKYYJY-UHFFFAOYSA-N 0 0 310.353 3.345 10 30 DGEERN CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)SC ZINC000728766878 576199552 /nfs/dbraw/zinc/19/95/52/576199552.db2.gz OFZYDIDWYPBLRL-FZMZJTMJSA-N 0 0 318.442 3.210 10 30 DGEERN C=C(Br)CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000154355097 620664343 /nfs/dbraw/zinc/66/43/43/620664343.db2.gz OXJAWHXPCHKUIU-SNVBAGLBSA-N 0 0 315.186 3.403 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)CCC(=O)c1ccc(F)cc1F ZINC000154664755 620701577 /nfs/dbraw/zinc/70/15/77/620701577.db2.gz ZAFXTDORIBNGJQ-CQSZACIVSA-N 0 0 309.312 3.409 10 30 DGEERN COc1ccc(COCCCC(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000154165236 618090734 /nfs/dbraw/zinc/09/07/34/618090734.db2.gz YACCCSOTPLLCLP-MRXNPFEDSA-N 0 0 319.401 3.473 10 30 DGEERN C=CCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000134751485 617640413 /nfs/dbraw/zinc/64/04/13/617640413.db2.gz KNYJHNQRENOTFM-LJQANCHMSA-N 0 0 324.424 3.426 10 30 DGEERN C#CCCCCNC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000155038858 620758135 /nfs/dbraw/zinc/75/81/35/620758135.db2.gz ZQPTYCBVBBUQPC-HOTGVXAUSA-N 0 0 306.450 3.169 10 30 DGEERN N#CCOc1ccc(CC(=O)OCCCOC2CCCC2)cc1 ZINC000111947261 620771640 /nfs/dbraw/zinc/77/16/40/620771640.db2.gz BSUYQEXFYCECOD-UHFFFAOYSA-N 0 0 317.385 3.024 10 30 DGEERN CC(C)(C)SCCCC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000155178942 620781112 /nfs/dbraw/zinc/78/11/12/620781112.db2.gz DURNDDSCHYBTGG-ZDUSSCGKSA-N 0 0 310.463 3.066 10 30 DGEERN C#Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)nc1 ZINC000729008430 619098416 /nfs/dbraw/zinc/09/84/16/619098416.db2.gz CJCOQNFKZXGXGQ-GFCCVEGCSA-N 0 0 319.320 3.031 10 30 DGEERN N#CCOc1cc(F)ccc1NCc1noc2c1CCCC2 ZINC000150763119 620393677 /nfs/dbraw/zinc/39/36/77/620393677.db2.gz BEXQOTLOFVLGBB-UHFFFAOYSA-N 0 0 301.321 3.207 10 30 DGEERN N#CCOc1cc(F)ccc1NCc1csc([N+](=O)[O-])c1 ZINC000150774695 620397193 /nfs/dbraw/zinc/39/71/93/620397193.db2.gz PTCCAVUJHBEGBY-UHFFFAOYSA-N 0 0 307.306 3.310 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000151380898 620444098 /nfs/dbraw/zinc/44/40/98/620444098.db2.gz JVLHTHWIKKDMTA-CQSZACIVSA-N 0 0 304.390 3.283 10 30 DGEERN C#CCOc1ccccc1CNCc1ccn(C2CCCC2)n1 ZINC000129046937 625426045 /nfs/dbraw/zinc/42/60/45/625426045.db2.gz BBBLINNBFMOLFV-UHFFFAOYSA-N 0 0 309.413 3.300 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1nc(C2CCCC2)no1 ZINC000152003660 620487452 /nfs/dbraw/zinc/48/74/52/620487452.db2.gz NKXULYUXYGAQHQ-UHFFFAOYSA-N 0 0 315.348 3.490 10 30 DGEERN C#C[C@H](OC(=O)[C@@H](C)Oc1ccccc1Br)C1CC1 ZINC000152366349 620502855 /nfs/dbraw/zinc/50/28/55/620502855.db2.gz PJMSWIAXAYGLKW-MFKMUULPSA-N 0 0 323.186 3.171 10 30 DGEERN CCOc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)ccc1C ZINC000113652668 620934680 /nfs/dbraw/zinc/93/46/80/620934680.db2.gz XILKLSBBCLBOAT-MRXNPFEDSA-N 0 0 322.364 3.355 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CC1CCOCC1 ZINC000117534264 621411220 /nfs/dbraw/zinc/41/12/20/621411220.db2.gz ITUSWKYABKWFOY-CQSZACIVSA-N 0 0 302.370 3.120 10 30 DGEERN C#CCOCCC(=O)OC1(c2ccccc2Br)CC1 ZINC000119050178 621612400 /nfs/dbraw/zinc/61/24/00/621612400.db2.gz HIGDVCJYALCEEI-UHFFFAOYSA-N 0 0 323.186 3.021 10 30 DGEERN C#Cc1cccc(NC(=O)C(=O)Nc2ccc(C)c(CC)c2)c1 ZINC000120616542 621948584 /nfs/dbraw/zinc/94/85/84/621948584.db2.gz UQASVUVUUFFPIZ-UHFFFAOYSA-N 0 0 306.365 3.116 10 30 DGEERN N#C[C@H](COC(=O)Cc1c(F)cccc1F)Cc1ccccc1 ZINC000122107072 622232944 /nfs/dbraw/zinc/23/29/44/622232944.db2.gz YZXQKHMINRRTOA-CQSZACIVSA-N 0 0 315.319 3.433 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nnc(C2CCCC2)o1)C1CC1 ZINC000122170289 622248619 /nfs/dbraw/zinc/24/86/19/622248619.db2.gz DKIZMZMYOJBKSI-AWEZNQCLSA-N 0 0 302.374 3.005 10 30 DGEERN C=C[C@@H](CC(=O)OCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000122466612 622327332 /nfs/dbraw/zinc/32/73/32/622327332.db2.gz QWXQCCGAGLCZLL-ZDUSSCGKSA-N 0 0 311.385 3.096 10 30 DGEERN COc1cc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)ccc1F ZINC000122539601 622345869 /nfs/dbraw/zinc/34/58/69/622345869.db2.gz PJXSUQHYTGQVBC-GQCTYLIASA-N 0 0 321.311 3.250 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000122820668 622412958 /nfs/dbraw/zinc/41/29/58/622412958.db2.gz TXKSUZKOPQYDGU-CZUORRHYSA-N 0 0 314.385 3.119 10 30 DGEERN COc1cccc(C#CCOC(=O)CCCc2ccccn2)c1 ZINC000129266635 625571291 /nfs/dbraw/zinc/57/12/91/625571291.db2.gz SZFPNSVIEGHVGE-UHFFFAOYSA-N 0 0 309.365 3.008 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCCC[C@H](C)C(C)=O ZINC000124129842 622931651 /nfs/dbraw/zinc/93/16/51/622931651.db2.gz IEOQWXRNZAARLE-AWEZNQCLSA-N 0 0 302.370 3.390 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1ccccn1 ZINC000124621901 623206749 /nfs/dbraw/zinc/20/67/49/623206749.db2.gz COEKBMMXWPPZRI-HNNXBMFYSA-N 0 0 309.365 3.331 10 30 DGEERN CC(=O)c1c(C)cccc1NCC(=O)Nc1ccc(CC#N)cc1 ZINC000125178887 623374333 /nfs/dbraw/zinc/37/43/33/623374333.db2.gz LVDOAGFUYVDFMR-UHFFFAOYSA-N 0 0 321.380 3.314 10 30 DGEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000126438376 623835636 /nfs/dbraw/zinc/83/56/36/623835636.db2.gz OGOCJYAOPPSUAR-INIZCTEOSA-N 0 0 317.429 3.329 10 30 DGEERN N#C[C@H](COC(=O)C(C1CC1)C1CC1)Cc1ccc(F)cc1 ZINC000126662338 623994767 /nfs/dbraw/zinc/99/47/67/623994767.db2.gz DNPOQVPCTWMLCQ-CYBMUJFWSA-N 0 0 301.361 3.487 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(Br)c1 ZINC000127817919 624579154 /nfs/dbraw/zinc/57/91/54/624579154.db2.gz MPXPGIIRKLEOKY-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN C#CCN(C(=O)C(=O)Nc1ccc(C(C)C)cc1)C1CCCC1 ZINC000128070880 624712598 /nfs/dbraw/zinc/71/25/98/624712598.db2.gz CVBXVRCLCWGVDA-UHFFFAOYSA-N 0 0 312.413 3.153 10 30 DGEERN CCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)oc1CC ZINC000128724993 625177271 /nfs/dbraw/zinc/17/72/71/625177271.db2.gz FDFCGWDOVDBCEJ-CQSZACIVSA-N 0 0 310.353 3.366 10 30 DGEERN CCc1cc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000128721836 625177305 /nfs/dbraw/zinc/17/73/05/625177305.db2.gz RWASKBAUYNYFKK-OAHLLOKOSA-N 0 0 310.353 3.420 10 30 DGEERN C#CCN(C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)C1CCCC1 ZINC000130061161 625811640 /nfs/dbraw/zinc/81/16/40/625811640.db2.gz AZRFJQCHSQANNF-CEXWTWQISA-N 0 0 308.425 3.302 10 30 DGEERN C[C@@H](OC(=O)c1cccc(OCC(F)(F)F)n1)C(C)(C)C#N ZINC000131115765 625944603 /nfs/dbraw/zinc/94/46/03/625944603.db2.gz YUEAMBBDLBTJTP-SECBINFHSA-N 0 0 316.279 3.118 10 30 DGEERN CCCCO[C@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000103688435 626717314 /nfs/dbraw/zinc/71/73/14/626717314.db2.gz RNZWEGYEYFPELK-HIFRSBDPSA-N 0 0 307.365 3.256 10 30 DGEERN C#CC[C@H](OC(=O)Cc1ccc(OCC)cc1)c1ccccn1 ZINC000105549289 630736309 /nfs/dbraw/zinc/73/63/09/630736309.db2.gz YFUIHGLGJJVZAI-SFHVURJKSA-N 0 0 309.365 3.331 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000106650934 631434828 /nfs/dbraw/zinc/43/48/28/631434828.db2.gz WOZQGGSXUXFRKH-RBUKOAKNSA-N 0 0 305.377 3.443 10 30 DGEERN C#CCOc1cccc(NC(=O)c2cccc3ncccc32)c1 ZINC000108182552 631822465 /nfs/dbraw/zinc/82/24/65/631822465.db2.gz UNBBBJWEPPXZLN-UHFFFAOYSA-N 0 0 302.333 3.499 10 30 DGEERN C=C(Br)CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109094279 632058308 /nfs/dbraw/zinc/05/83/08/632058308.db2.gz JDFJXKSEQLVAML-UWVGGRQHSA-N 0 0 316.145 3.093 10 30 DGEERN CC(C)(C)c1noc(CCCC(=O)OCC(C)(C)CC#N)n1 ZINC000184822542 660188766 /nfs/dbraw/zinc/18/87/66/660188766.db2.gz RZPPLTAOGOMTJR-UHFFFAOYSA-N 0 0 307.394 3.173 10 30 DGEERN C#CCC(C)(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000186148755 660270168 /nfs/dbraw/zinc/27/01/68/660270168.db2.gz ZYWUZLFZCGTAEC-UHFFFAOYSA-N 0 0 311.341 3.439 10 30 DGEERN C#CCNC(=O)N[C@@H](C)c1ccc(OCCC)c(OCCC)c1 ZINC000073258305 660447061 /nfs/dbraw/zinc/44/70/61/660447061.db2.gz FMJPPWNIWNFHQL-AWEZNQCLSA-N 0 0 318.417 3.258 10 30 DGEERN C#C[C@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000700593644 660630202 /nfs/dbraw/zinc/63/02/02/660630202.db2.gz XTJYSYBFOCGVNB-NSHDSACASA-N 0 0 312.196 3.244 10 30 DGEERN C#CC(C)(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000700594903 660630232 /nfs/dbraw/zinc/63/02/32/660630232.db2.gz NNJKJRFXXJKPDY-SECBINFHSA-N 0 0 300.185 3.289 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ncsc2Br)C1 ZINC000703644532 660786820 /nfs/dbraw/zinc/78/68/20/660786820.db2.gz VKJBJPIZPGYEOW-SECBINFHSA-N 0 0 315.236 3.334 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ncsc2Br)C1 ZINC000703644533 660786849 /nfs/dbraw/zinc/78/68/49/660786849.db2.gz VKJBJPIZPGYEOW-VIFPVBQESA-N 0 0 315.236 3.334 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc(C)cs2)c1 ZINC000246367235 660789125 /nfs/dbraw/zinc/78/91/25/660789125.db2.gz QOYAZQMNMAGZQG-ZNMIVQPWSA-N 0 0 312.394 3.440 10 30 DGEERN N#C[C@@H]1CCCN(c2nc3cc(Br)ccc3o2)C1 ZINC000705916478 660841020 /nfs/dbraw/zinc/84/10/20/660841020.db2.gz AQLALXGQCDAZQG-VIFPVBQESA-N 0 0 306.163 3.330 10 30 DGEERN C[C@@]1(C(F)(F)F)CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000709155145 660924212 /nfs/dbraw/zinc/92/42/12/660924212.db2.gz BCMNYDGVOQKRPM-SNVBAGLBSA-N 0 0 302.193 3.417 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2cccc(F)c2C#N)C1 ZINC000711456783 660953967 /nfs/dbraw/zinc/95/39/67/660953967.db2.gz RRZIOWOTWOJAGR-UHFFFAOYSA-N 0 0 319.380 3.413 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)cc1F ZINC000175278278 655527753 /nfs/dbraw/zinc/52/77/53/655527753.db2.gz MNHVQJGELIUNHC-BQYQJAHWSA-N 0 0 321.304 3.216 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@@H]1CCOc2ccc(OC)cc21 ZINC000186798976 655530028 /nfs/dbraw/zinc/53/00/28/655530028.db2.gz SCUJRBSBHQBJPO-SJLPKXTDSA-N 0 0 320.385 3.291 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C1CC1 ZINC000175333303 655547824 /nfs/dbraw/zinc/54/78/24/655547824.db2.gz OVRBXZYEYPBSOS-CXAGYDPISA-N 0 0 300.354 3.002 10 30 DGEERN C=C[C@H](C)OC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000187590954 655551950 /nfs/dbraw/zinc/55/19/50/655551950.db2.gz OWBFITMUCYFQNZ-NSHDSACASA-N 0 0 313.382 3.278 10 30 DGEERN C=C[C@H](C)OC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000187618245 655553363 /nfs/dbraw/zinc/55/33/63/655553363.db2.gz SRMOLRZILXTXFC-LBPRGKRZSA-N 0 0 316.357 3.186 10 30 DGEERN C#CC[C@H](OC(=O)/C=C\c1ccc(OC)c(OC)c1)C(C)C ZINC000255034374 655567253 /nfs/dbraw/zinc/56/72/53/655567253.db2.gz XGHGTBJLNGEYBZ-KLQCNHIUSA-N 0 0 302.370 3.308 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cccc3c1OCO3)C2=O ZINC000255051196 655578140 /nfs/dbraw/zinc/57/81/40/655578140.db2.gz AGJNXMYFQFMWKF-WQLSENKSSA-N 0 0 310.305 3.083 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1coc(Br)c1 ZINC000121181164 655632855 /nfs/dbraw/zinc/63/28/55/655632855.db2.gz YTDFKVBUMZXZTI-UHFFFAOYSA-N 0 0 305.127 3.251 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1C ZINC000160462146 655638057 /nfs/dbraw/zinc/63/80/57/655638057.db2.gz RBAYQBGTSVYFSP-UHFFFAOYSA-N 0 0 319.364 3.035 10 30 DGEERN N#Cc1ccc(F)c(CN2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000721443218 655649004 /nfs/dbraw/zinc/64/90/04/655649004.db2.gz WGQBVSGUHJJXMT-GFCCVEGCSA-N 0 0 304.312 3.177 10 30 DGEERN C=C[C@@H](C)OC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000187576510 655663121 /nfs/dbraw/zinc/66/31/21/655663121.db2.gz QAUBKDCPKRSSJY-KDOFPFPSSA-N 0 0 301.386 3.047 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)c(F)c1 ZINC000255265120 655675001 /nfs/dbraw/zinc/67/50/01/655675001.db2.gz KZUFFQIQTGOLHO-FPLPWBNLSA-N 0 0 321.304 3.216 10 30 DGEERN COc1cc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)ccc1F ZINC000255379204 655722981 /nfs/dbraw/zinc/72/29/81/655722981.db2.gz PJXSUQHYTGQVBC-XQRVVYSFSA-N 0 0 321.311 3.250 10 30 DGEERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000255382379 655723467 /nfs/dbraw/zinc/72/34/67/655723467.db2.gz AEIJCAJUZNLJIA-OWBHPGMISA-N 0 0 324.355 3.448 10 30 DGEERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@H](C#N)C1CC1 ZINC000176076933 655732014 /nfs/dbraw/zinc/73/20/14/655732014.db2.gz ZVFKVCIHNRREJD-TVQRCGJNSA-N 0 0 313.275 3.318 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCCCOc1ccccc1Cl ZINC000176114294 655735554 /nfs/dbraw/zinc/73/55/54/655735554.db2.gz PLVJGCVVFJBRGB-UHFFFAOYSA-N 0 0 318.760 3.176 10 30 DGEERN C[C@@H](ON=CC(=O)Nc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000255494986 655768215 /nfs/dbraw/zinc/76/82/15/655768215.db2.gz AWKQJNRHGKZKEQ-LLVKDONJSA-N 0 0 316.361 3.069 10 30 DGEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C=CC(C)(C)C ZINC000255572074 655818393 /nfs/dbraw/zinc/81/83/93/655818393.db2.gz NNLFZSWMYCBBLH-BSYHEUMXSA-N 0 0 314.385 3.335 10 30 DGEERN C#CCCCCC(=O)NCCc1sccc1Br ZINC000713104269 661190320 /nfs/dbraw/zinc/19/03/20/661190320.db2.gz IZKBOXYKSNXHLZ-UHFFFAOYSA-N 0 0 314.248 3.363 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)CCc1cnn(C)c1 ZINC000077506602 655845986 /nfs/dbraw/zinc/84/59/86/655845986.db2.gz IZZLFENGPSKIOB-UHFFFAOYSA-N 0 0 314.385 3.086 10 30 DGEERN C=CCCO[C@@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000065655747 655848642 /nfs/dbraw/zinc/84/86/42/655848642.db2.gz SIDSGMGUZVSZCA-ZFWWWQNUSA-N 0 0 305.349 3.032 10 30 DGEERN C=CCC[C@H](OC(=O)c1csc(-c2cnn(C)c2)n1)C1CC1 ZINC000159642851 655849109 /nfs/dbraw/zinc/84/91/09/655849109.db2.gz OKNFBAYLRSHOQM-AWEZNQCLSA-N 0 0 317.414 3.445 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(OCC(F)F)n1)C(C)(C)C ZINC000159866064 655853316 /nfs/dbraw/zinc/85/33/16/655853316.db2.gz IHQSWFZMBROOSF-GFCCVEGCSA-N 0 0 311.328 3.320 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)NC[C@H](C)C#N ZINC000255741052 655892646 /nfs/dbraw/zinc/89/26/46/655892646.db2.gz KVLBPKCWQOADPC-QIAWRQBBSA-N 0 0 323.396 3.313 10 30 DGEERN Cc1nn(C)c(C)c1CCCN=Cc1cc2ccccc2[nH]c1=O ZINC000255843029 655910885 /nfs/dbraw/zinc/91/08/85/655910885.db2.gz IUQIPSYLYOXBFQ-NDENLUEZSA-N 0 0 322.412 3.342 10 30 DGEERN C#CC[C@H](OC(=O)CCc1c(C)nc(SC)nc1C)C(C)C ZINC000177719907 655943457 /nfs/dbraw/zinc/94/34/57/655943457.db2.gz MRZDOVBGQBKHRU-HNNXBMFYSA-N 0 0 320.458 3.339 10 30 DGEERN CC(=O)c1cc(C(=O)OCC#Cc2ccc(Cl)cc2)n(C)c1 ZINC000177890386 655949135 /nfs/dbraw/zinc/94/91/35/655949135.db2.gz GHZLQCWNOXJUPK-UHFFFAOYSA-N 0 0 315.756 3.090 10 30 DGEERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000311687344 656011463 /nfs/dbraw/zinc/01/14/63/656011463.db2.gz OANWAUTXHSPOII-DGCLKSJQSA-N 0 0 323.190 3.074 10 30 DGEERN Cc1ccc(C(=O)CCC(=O)CCC(=O)OC(C)(C)C#N)s1 ZINC000181820401 656101104 /nfs/dbraw/zinc/10/11/04/656101104.db2.gz OBYVROOQEQXEJS-UHFFFAOYSA-N 0 0 321.398 3.214 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182400367 656105269 /nfs/dbraw/zinc/10/52/69/656105269.db2.gz IMBWKJGQNOPCOG-UHFFFAOYSA-N 0 0 318.332 3.341 10 30 DGEERN CCc1cnccc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000183556370 656113263 /nfs/dbraw/zinc/11/32/63/656113263.db2.gz JULAUEWUMZRLNX-CQSZACIVSA-N 0 0 312.344 3.322 10 30 DGEERN CC(C)(CC#N)COC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000184812480 656121668 /nfs/dbraw/zinc/12/16/68/656121668.db2.gz KBUQNIFWGVERAC-UHFFFAOYSA-N 0 0 319.376 3.357 10 30 DGEERN CCCCCCCC(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000186789345 656133634 /nfs/dbraw/zinc/13/36/34/656133634.db2.gz BMCUBPPOELHYJU-FQEVSTJZSA-N 0 0 301.496 3.497 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000188045266 656143492 /nfs/dbraw/zinc/14/34/92/656143492.db2.gz WLKSZPWAOKXQAT-AWEZNQCLSA-N 0 0 313.357 3.295 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000722338085 656455994 /nfs/dbraw/zinc/45/59/94/656455994.db2.gz RPSZHUODBVAZOB-QWHCGFSZSA-N 0 0 322.206 3.085 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1cn2ccnc2s1 ZINC000190756957 656568878 /nfs/dbraw/zinc/56/88/78/656568878.db2.gz YBQRLWGNPUZAKR-UHFFFAOYSA-N 0 0 314.366 3.352 10 30 DGEERN COC(=O)C[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N ZINC000094336422 656589651 /nfs/dbraw/zinc/58/96/51/656589651.db2.gz XSBLALJKUMAQRQ-ZETCQYMHSA-N 0 0 304.293 3.016 10 30 DGEERN Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)c(C)s1 ZINC000178706595 657008310 /nfs/dbraw/zinc/00/83/10/657008310.db2.gz RXJCQLKJIPMXLU-ZDUSSCGKSA-N 0 0 313.382 3.030 10 30 DGEERN CCn1cc(Br)cc1C(=O)O[C@H](C)C(C)(C)C#N ZINC000178812560 657073695 /nfs/dbraw/zinc/07/36/95/657073695.db2.gz BPLRZFYQXUMWBH-SECBINFHSA-N 0 0 313.195 3.366 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc2c(C)nn(C)c2s1 ZINC000191122345 657370844 /nfs/dbraw/zinc/37/08/44/657370844.db2.gz OMLIRCXLYUENEN-INIZCTEOSA-N 0 0 322.430 3.329 10 30 DGEERN CC#CCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000183945166 657383026 /nfs/dbraw/zinc/38/30/26/657383026.db2.gz WYJGZTDCINVBOH-UHFFFAOYSA-N 0 0 306.358 3.063 10 30 DGEERN CC#CCCCCOC(=O)CCN1C(=O)CCc2ccccc21 ZINC000183925091 657383108 /nfs/dbraw/zinc/38/31/08/657383108.db2.gz NEQVAKIBYDFIQO-UHFFFAOYSA-N 0 0 313.397 3.093 10 30 DGEERN C=C(Br)COC(=O)/C=C/c1ccnc(Cl)c1 ZINC000179028180 657423265 /nfs/dbraw/zinc/42/32/65/657423265.db2.gz QNNDKUIZCFNPLJ-NSCUHMNNSA-N 0 0 302.555 3.200 10 30 DGEERN C=C(C)COC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000096995979 657580433 /nfs/dbraw/zinc/58/04/33/657580433.db2.gz FLRCYRUYAKIDQE-UHFFFAOYSA-N 0 0 312.341 3.470 10 30 DGEERN COc1cc(/C=C2\COc3c(OC)cccc3C2=O)ccc1O ZINC000098125373 657912319 /nfs/dbraw/zinc/91/23/19/657912319.db2.gz KJDCXXXOUWGOJC-XYOKQWHBSA-N 0 0 312.321 3.068 10 30 DGEERN COc1cccc2c1OC/C(=C\c1cccc([N+](=O)[O-])c1)C2=O ZINC000098125368 657912797 /nfs/dbraw/zinc/91/27/97/657912797.db2.gz WJLRCAIOWZUUMF-XYOKQWHBSA-N 0 0 311.293 3.262 10 30 DGEERN COc1cccc2c1OC/C(=C\c1ccc(NC(C)=O)cc1)C2=O ZINC000098125367 657913000 /nfs/dbraw/zinc/91/30/00/657913000.db2.gz UPIYTFRSYGBKRV-GXDHUFHOSA-N 0 0 323.348 3.312 10 30 DGEERN Cc1ccccc1SCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000127884898 658557175 /nfs/dbraw/zinc/55/71/75/658557175.db2.gz GCVBHHSBZMXUJM-HNNXBMFYSA-N 0 0 324.405 3.435 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000067800977 658745810 /nfs/dbraw/zinc/74/58/10/658745810.db2.gz DYFVVGZSYRYCNV-OLZOCXBDSA-N 0 0 306.358 3.043 10 30 DGEERN C=CCCC(=O)OCC(C)(C)NC(=O)OCc1ccccc1 ZINC000174840337 658842735 /nfs/dbraw/zinc/84/27/35/658842735.db2.gz IBOVETSBXWCRCQ-UHFFFAOYSA-N 0 0 305.374 3.201 10 30 DGEERN C#CCN(CC(=O)Nc1ccc(F)cc1Cl)C1CCCC1 ZINC000155910147 658860348 /nfs/dbraw/zinc/86/03/48/658860348.db2.gz DLCIYNRLFNWCAR-UHFFFAOYSA-N 0 0 308.784 3.295 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000156376403 658916035 /nfs/dbraw/zinc/91/60/35/658916035.db2.gz HFBNCJFXCGCHCB-LBPRGKRZSA-N 0 0 301.264 3.219 10 30 DGEERN C[C@@H](C(=O)O[C@@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000156389847 658917504 /nfs/dbraw/zinc/91/75/04/658917504.db2.gz GGFJAZULYXDYCA-RNCFNFMXSA-N 0 0 308.175 3.398 10 30 DGEERN N#CC1(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CCCC1 ZINC000156449977 658920874 /nfs/dbraw/zinc/92/08/74/658920874.db2.gz XABKJJQOYAFBIN-UHFFFAOYSA-N 0 0 313.332 3.457 10 30 DGEERN Cc1cc(C(=O)OCc2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000061437554 659267074 /nfs/dbraw/zinc/26/70/74/659267074.db2.gz QQQHUHFOTGMIJO-UHFFFAOYSA-N 0 0 317.348 3.409 10 30 DGEERN COc1ccc(C(=O)/C=C/c2cccnc2C)cc1NC(C)=O ZINC000171419709 659281053 /nfs/dbraw/zinc/28/10/53/659281053.db2.gz NJZCGJXGNSPBSQ-SOFGYWHQSA-N 0 0 310.353 3.253 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)NC[C@@H](C)C#N ZINC000171837845 659301120 /nfs/dbraw/zinc/30/11/20/659301120.db2.gz KVLBPKCWQOADPC-VFNNOXKTSA-N 0 0 323.396 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C=CCC[C@H](OC(=O)[C@H](C)NC(=O)c1cccs1)C1CC1 ZINC000159630233 661891844 /nfs/dbraw/zinc/89/18/44/661891844.db2.gz WFVREYIKSVYIFG-AAEUAGOBSA-N 0 0 307.415 3.154 10 30 DGEERN C=CCC[C@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)C1CC1 ZINC000159692959 661893484 /nfs/dbraw/zinc/89/34/84/661893484.db2.gz WDITZTDPHRTDTG-INIZCTEOSA-N 0 0 322.426 3.133 10 30 DGEERN CC[C@@H](CC#N)OC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000187914884 661907834 /nfs/dbraw/zinc/90/78/34/661907834.db2.gz BGLGOGJVEZIZJS-NSHDSACASA-N 0 0 301.264 3.363 10 30 DGEERN CCOc1ccc(C(=O)CCC(=O)O[C@@H](CC)CC#N)cc1 ZINC000188000120 661911240 /nfs/dbraw/zinc/91/12/40/661911240.db2.gz BHDXZWUCAMDWSF-AWEZNQCLSA-N 0 0 303.358 3.284 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1cccc(COC)c1)c1ccccn1 ZINC000188824363 661946596 /nfs/dbraw/zinc/94/65/96/661946596.db2.gz OMBVYNWSJGBEAI-GOSISDBHSA-N 0 0 309.365 3.078 10 30 DGEERN C=CCc1ccccc1OC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000075920532 661958277 /nfs/dbraw/zinc/95/82/77/661958277.db2.gz HNWIVALPYJIGKE-UHFFFAOYSA-N 0 0 315.413 3.215 10 30 DGEERN COc1ccc(O)cc1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000189013951 661958957 /nfs/dbraw/zinc/95/89/57/661958957.db2.gz SIJKRIUCRQSVKN-UHFFFAOYSA-N 0 0 310.353 3.270 10 30 DGEERN C#CCCCC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000190643489 662039358 /nfs/dbraw/zinc/03/93/58/662039358.db2.gz QDLSFADSVDHMGO-CYBMUJFWSA-N 0 0 305.246 3.488 10 30 DGEERN C#CC[C@H](OC(=O)c1oc(CC(C)C)nc1C)c1ccccn1 ZINC000191063630 662053226 /nfs/dbraw/zinc/05/32/26/662053226.db2.gz NETBZZBINBDOSP-HNNXBMFYSA-N 0 0 312.369 3.498 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000191098741 662053888 /nfs/dbraw/zinc/05/38/88/662053888.db2.gz OMGLXGASKDSFPP-MRXNPFEDSA-N 0 0 307.346 3.289 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000191171650 662055996 /nfs/dbraw/zinc/05/59/96/662055996.db2.gz XLNNCLAPHUBLNC-GOSISDBHSA-N 0 0 322.401 3.398 10 30 DGEERN Cn1c2ccc(/C=C/C(=O)c3ccc(C#N)cc3)cc2sc1=O ZINC000191490790 662069114 /nfs/dbraw/zinc/06/91/14/662069114.db2.gz 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/nfs/dbraw/zinc/13/96/24/662139624.db2.gz PXKVZLZUWJWFFG-INIZCTEOSA-N 0 0 303.358 3.140 10 30 DGEERN C=C(Br)COC(=O)c1ccc2cc(OC)ccc2n1 ZINC000194027760 662155401 /nfs/dbraw/zinc/15/54/01/662155401.db2.gz PRJNCKFNELZLKB-UHFFFAOYSA-N 0 0 322.158 3.309 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(F)cc1Br ZINC000080939870 662156367 /nfs/dbraw/zinc/15/63/67/662156367.db2.gz ZWRHXKNJKODOIN-UHFFFAOYSA-N 0 0 323.121 3.018 10 30 DGEERN Cc1nc2cc(NC(=O)c3ccccc3OCC#N)ccc2o1 ZINC000194093892 662157183 /nfs/dbraw/zinc/15/71/83/662157183.db2.gz MJQAEPVUDQLRNQ-UHFFFAOYSA-N 0 0 307.309 3.291 10 30 DGEERN COc1ccccc1N1CCC(/N=C/c2ccccc2O)CC1 ZINC000194768671 662173207 /nfs/dbraw/zinc/17/32/07/662173207.db2.gz ZNAHPUMBBZMGHD-XSFVSMFZSA-N 0 0 310.397 3.489 10 30 DGEERN CCC1CC(=O)C(=CN[C@@H](C)c2ccc(F)c(F)c2)C(=O)C1 ZINC000194963119 662176287 /nfs/dbraw/zinc/17/62/87/662176287.db2.gz NKXMRTVSDDPKAC-VUWPPUDQSA-N 0 0 307.340 3.458 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)C1CCC1 ZINC000083149729 662194117 /nfs/dbraw/zinc/19/41/17/662194117.db2.gz YMFGDAKOJWWOIS-CYBMUJFWSA-N 0 0 317.385 3.458 10 30 DGEERN CCO[C@H]1C[C@@H](OC(=O)c2cc(C#N)cn2C)C12CCCCC2 ZINC000083770013 662196278 /nfs/dbraw/zinc/19/62/78/662196278.db2.gz IVBLXJFACRYJPT-JKSUJKDBSA-N 0 0 316.401 3.181 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089293129 662241009 /nfs/dbraw/zinc/24/10/09/662241009.db2.gz LQDSDYWSPSYFMT-AWEZNQCLSA-N 0 0 310.378 3.467 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000089319558 662241696 /nfs/dbraw/zinc/24/16/96/662241696.db2.gz FCACWFYGUAYEOZ-NVXWUHKLSA-N 0 0 315.413 3.118 10 30 DGEERN C[C@@H]1CC[C@H](CCC(=O)OC[C@@H](C#N)Cc2cccs2)O1 ZINC000246450171 662260129 /nfs/dbraw/zinc/26/01/29/662260129.db2.gz PFCUQBXVNNSMBR-MGPQQGTHSA-N 0 0 307.415 3.321 10 30 DGEERN C[C@H]1C[C@H](OC(=O)Cc2ccc(OCC#N)cc2)C[C@@H](C)C1 ZINC000246533025 662264117 /nfs/dbraw/zinc/26/41/17/662264117.db2.gz JAZQXZGGSXEAAY-HALDLXJZSA-N 0 0 301.386 3.499 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1c[nH]c2cccc(F)c21 ZINC000090466976 662264576 /nfs/dbraw/zinc/26/45/76/662264576.db2.gz GXUFLYSYRHSQPW-UHFFFAOYSA-N 0 0 300.255 3.498 10 30 DGEERN CCOc1cccnc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000091698700 662313153 /nfs/dbraw/zinc/31/31/53/662313153.db2.gz MXGATLNEWKGMFT-OAHLLOKOSA-N 0 0 310.353 3.020 10 30 DGEERN C#CC[N@@H+](Cc1cc(OC)c(OCC)c(OC)c1)C1CCCC1 ZINC000093819828 662360429 /nfs/dbraw/zinc/36/04/29/662360429.db2.gz CNTUWCMWOZRIHK-UHFFFAOYSA-N 0 0 317.429 3.480 10 30 DGEERN C#C[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000174435003 685105968 /nfs/dbraw/zinc/10/59/68/685105968.db2.gz FCSICOPIWSIYQD-MNOVXSKESA-N 0 0 311.175 3.090 10 30 DGEERN C#C[C@](C)(CC)NCc1cc2c(cc1Br)OCO2 ZINC000384224502 1177093212 /nfs/dbraw/zinc/09/32/12/1177093212.db2.gz UOVVBLXQWUMIKF-CQSZACIVSA-N 0 0 310.191 3.069 10 30 DGEERN C=CCONC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000387374824 1177609918 /nfs/dbraw/zinc/60/99/18/1177609918.db2.gz XHZBLXCAJAYMAV-UHFFFAOYSA-N 0 0 324.096 3.315 10 30 DGEERN C=CCC[C@H](NC(=O)Cc1cccc(OC)n1)c1ccccc1 ZINC000338824737 1177783640 /nfs/dbraw/zinc/78/36/40/1177783640.db2.gz PZOXIHOAGNJWDM-KRWDZBQOSA-N 0 0 310.397 3.456 10 30 DGEERN C=C(C)COc1cccc(NC(=O)Cc2cccc(OC)n2)c1 ZINC000338840664 1177784107 /nfs/dbraw/zinc/78/41/07/1177784107.db2.gz IZWCJKFMQWWIGD-UHFFFAOYSA-N 0 0 312.369 3.226 10 30 DGEERN N#Cc1cccc(NC(=O)c2cccc(Br)c2N)c1 ZINC000071697831 1195981697 /nfs/dbraw/zinc/98/16/97/1195981697.db2.gz JCGQZQJHRSKCQR-UHFFFAOYSA-N 0 0 316.158 3.155 10 30 DGEERN Cc1cncc(CCNc2cc(Br)ccc2C#N)n1 ZINC000402751091 1199459414 /nfs/dbraw/zinc/45/94/14/1199459414.db2.gz ZNVJMDNHDZEENI-UHFFFAOYSA-N 0 0 317.190 3.074 10 30 DGEERN CN(C(=O)c1nscc1Br)c1ccc(C#N)cc1 ZINC000404876682 1199587079 /nfs/dbraw/zinc/58/70/79/1199587079.db2.gz XBIWZLVMZFCVOP-UHFFFAOYSA-N 0 0 322.187 3.054 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)c2coc(Br)c2)c1 ZINC000308218221 1199702854 /nfs/dbraw/zinc/70/28/54/1199702854.db2.gz NBENVCJCMPECSF-UHFFFAOYSA-N 0 0 305.131 3.475 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2csc(C)n2)cc1 ZINC000114766888 1199716402 /nfs/dbraw/zinc/71/64/02/1199716402.db2.gz HIZVSISKEVMTHD-UHFFFAOYSA-N 0 0 302.403 3.371 10 30 DGEERN CN(CCc1ccncc1)c1cc(Br)ccc1C#N ZINC000123131151 1200274106 /nfs/dbraw/zinc/27/41/06/1200274106.db2.gz PDRLCSNOODHQPO-UHFFFAOYSA-N 0 0 316.202 3.395 10 30 DGEERN CC[C@@H]1CO[C@H](C)CN1c1cc(Br)ccc1C#N ZINC000123142559 1200275456 /nfs/dbraw/zinc/27/54/56/1200275456.db2.gz JYXWQDWKZNPLQV-ZWNOBZJWSA-N 0 0 309.207 3.324 10 30 DGEERN Cc1nn(C)c(C)c1CNc1cc(Br)ccc1C#N ZINC000123336892 1200277893 /nfs/dbraw/zinc/27/78/93/1200277893.db2.gz XYIFJULBTKHXRA-UHFFFAOYSA-N 0 0 319.206 3.283 10 30 DGEERN C=C(C)COCCNC(=O)c1cc(C)c(Br)s1 ZINC000126075574 1200490925 /nfs/dbraw/zinc/49/09/25/1200490925.db2.gz LLBOULXUXAJPCR-UHFFFAOYSA-N 0 0 318.236 3.142 10 30 DGEERN COC1CCN(c2ccc(C#N)c(Br)c2F)CC1 ZINC000231844036 1202600320 /nfs/dbraw/zinc/60/03/20/1202600320.db2.gz IGEOIHAORPOHLA-UHFFFAOYSA-N 0 0 313.170 3.075 10 30 DGEERN C#C[C@@H](CCC)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000229960932 1202597036 /nfs/dbraw/zinc/59/70/36/1202597036.db2.gz MARPFCDIHJWOHZ-NSHDSACASA-N 0 0 306.214 3.074 10 30 DGEERN C[C@]1(O)CCCN(c2cc(Br)ccc2C#N)CC1 ZINC000230352241 1202597898 /nfs/dbraw/zinc/59/78/98/1202597898.db2.gz XUZRGDIJGXYEHF-AWEZNQCLSA-N 0 0 309.207 3.062 10 30 DGEERN CC[C@H]1CN(c2ccc(C#N)c(Br)c2F)CCO1 ZINC000231844195 1202600312 /nfs/dbraw/zinc/60/03/12/1202600312.db2.gz DBTUCWSXDAJQEP-JTQLQIEISA-N 0 0 313.170 3.075 10 30 DGEERN C[C@@H](O)C(C)(C)Nc1ccc(C#N)c(Br)c1F ZINC000231864003 1202600392 /nfs/dbraw/zinc/60/03/92/1202600392.db2.gz GRFKIBFIBUFDAR-SSDOTTSWSA-N 0 0 301.159 3.031 10 30 DGEERN CCC(O)(CC)CNc1ccc(C#N)c(Br)c1F ZINC000231863898 1202600440 /nfs/dbraw/zinc/60/04/40/1202600440.db2.gz YWENCRKTJDYFQB-UHFFFAOYSA-N 0 0 315.186 3.423 10 30 DGEERN C[C@H]1OCC[C@]1(C)Nc1ccc(C#N)c(Br)c1F ZINC000235672771 1202604680 /nfs/dbraw/zinc/60/46/80/1202604680.db2.gz WMVBMUMWTGDUNK-OQPBUACISA-N 0 0 313.170 3.439 10 30 DGEERN C[C@@H](Sc1ccc(C#N)c(Br)c1F)[C@H](C)O ZINC000235562217 1202604562 /nfs/dbraw/zinc/60/45/62/1202604562.db2.gz LWLYWQJEBFDCQV-NKWVEPMBSA-N 0 0 304.184 3.321 10 30 DGEERN CCCCCCCCNS(=O)(=O)c1cccc(F)c1C#N ZINC000159334281 1202604747 /nfs/dbraw/zinc/60/47/47/1202604747.db2.gz OKSRUIQWTOPRJT-UHFFFAOYSA-N 0 0 312.410 3.336 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000185911889 1202878417 /nfs/dbraw/zinc/87/84/17/1202878417.db2.gz QXIJUPRLTMKTPT-INIZCTEOSA-N 0 0 311.381 3.029 10 30 DGEERN C#C[C@H](NC(=O)NCc1nc(-c2ccccc2)cs1)C(C)C ZINC000282415971 1203283956 /nfs/dbraw/zinc/28/39/56/1203283956.db2.gz ZLAIFXCXZPLRDC-AWEZNQCLSA-N 0 0 313.426 3.267 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSCC2CCCC2)c1 ZINC000163306454 1203551660 /nfs/dbraw/zinc/55/16/60/1203551660.db2.gz KDGCFHJPNGCXBQ-UHFFFAOYSA-N 0 0 309.456 3.255 10 30 DGEERN C=C(C)CONC(=O)c1cc(Br)ccc1Cl ZINC000400942261 1204339916 /nfs/dbraw/zinc/33/99/16/1204339916.db2.gz QKSDAQOVIYPLFO-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN CCO[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 ZINC000706501701 1082042870 /nfs/dbraw/zinc/04/28/70/1082042870.db2.gz AFTGULHLIUCWBU-JTQLQIEISA-N 0 0 313.170 3.075 10 30 DGEERN C=C(C)CN(C)C(=O)/C=C\c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000588395332 1082128735 /nfs/dbraw/zinc/12/87/35/1082128735.db2.gz ZKHRQAQSEQISAI-DANTVBBOSA-N 0 0 315.413 3.456 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc(OC)c1OC ZINC000588409642 1082166795 /nfs/dbraw/zinc/16/67/95/1082166795.db2.gz BTPGAVWYLGQJTG-CLFYSBASSA-N 0 0 314.337 3.314 10 30 DGEERN COc1cc(/C=C\C(=O)c2cncc(C)c2)cc2c1OCCO2 ZINC000588476337 1082421318 /nfs/dbraw/zinc/42/13/18/1082421318.db2.gz KLOFOHLYLIWVED-ARJAWSKDSA-N 0 0 311.337 3.066 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC1(C#N)CCC1 ZINC000588478057 1082425935 /nfs/dbraw/zinc/42/59/35/1082425935.db2.gz XQFCXAQHRDDCLX-XFXZXTDPSA-N 0 0 300.314 3.235 10 30 DGEERN COc1ccc(NC(=O)[C@@H](C#N)C(=O)C(C)=CC(C)(C)C)cc1 ZINC000588507628 1082508928 /nfs/dbraw/zinc/50/89/28/1082508928.db2.gz FRODYYMRBJVWSA-WQTVUKCASA-N 0 0 314.385 3.335 10 30 DGEERN Cc1ccc(-n2cccn2)cc1N=Cc1ccc(O)c(O)c1O ZINC000588565434 1082642263 /nfs/dbraw/zinc/64/22/63/1082642263.db2.gz VKXLDCXEWZNJJT-UHFFFAOYSA-N 0 0 309.325 3.048 10 30 DGEERN C=CCCOCCN[C@H](c1nccn1C)c1ccccc1Cl ZINC000180656693 1093862107 /nfs/dbraw/zinc/86/21/07/1093862107.db2.gz NRFZQWVZBOIOBT-INIZCTEOSA-N 0 0 319.836 3.345 10 30 DGEERN N#Cc1ccc(N2CCC(F)(F)C2)c(F)c1Br ZINC000313291244 1095002381 /nfs/dbraw/zinc/00/23/81/1095002381.db2.gz KHGWOCWOKCQQJR-UHFFFAOYSA-N 0 0 305.097 3.305 10 30 DGEERN C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@@H]1CCOC1 ZINC000231848588 1095809070 /nfs/dbraw/zinc/80/90/70/1095809070.db2.gz SIZQEQQREMOUKN-PSASIEDQSA-N 0 0 313.170 3.297 10 30 DGEERN N#Cc1cncc(CN2CCc3cc(Br)ccc32)c1 ZINC000721606285 1097716417 /nfs/dbraw/zinc/71/64/17/1097716417.db2.gz WTRAISMMHACRJL-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN CCCCCCCCNC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000159329708 1101050955 /nfs/dbraw/zinc/05/09/55/1101050955.db2.gz FIOFBUDNADBXNL-ZDUSSCGKSA-N 0 0 300.443 3.376 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278272763 214059531 /nfs/dbraw/zinc/05/95/31/214059531.db2.gz FEWHUFGRLYDEGZ-TZMCWYRMSA-N 0 0 324.302 3.497 10 30 DGEERN Cc1sc(C(=O)Nc2ccc(F)c(C#N)c2)cc1[N+](=O)[O-] ZINC000076825821 185045245 /nfs/dbraw/zinc/04/52/45/185045245.db2.gz PGHGCOYEOUIMIL-UHFFFAOYSA-N 0 0 305.290 3.228 10 30 DGEERN COc1ccc2c(c1)/C(=C\c1ccc(O)c(OC)c1)C(=O)CC2 ZINC000095577737 185380825 /nfs/dbraw/zinc/38/08/25/185380825.db2.gz GZQFBMWBKJQUBC-CXUHLZMHSA-N 0 0 310.349 3.465 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000278453237 214162662 /nfs/dbraw/zinc/16/26/62/214162662.db2.gz XHDUENHVEHZXND-CQSZACIVSA-N 0 0 302.418 3.362 10 30 DGEERN CCCCc1nnc(NC(=O)c2ccc(C#N)cc2C)s1 ZINC000162461479 197568045 /nfs/dbraw/zinc/56/80/45/197568045.db2.gz RPHIKEAVHPMVIX-UHFFFAOYSA-N 0 0 300.387 3.313 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000278766567 214385813 /nfs/dbraw/zinc/38/58/13/214385813.db2.gz KPDLHVTYYCXYCS-LDYMZIIASA-N 0 0 321.320 3.186 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3sccc3C#N)c21 ZINC000103128064 432004122 /nfs/dbraw/zinc/00/41/22/432004122.db2.gz IPJUJJUIIZXZAU-UHFFFAOYSA-N 0 0 309.394 3.382 10 30 DGEERN CCc1cnccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000180359387 529671678 /nfs/dbraw/zinc/67/16/78/529671678.db2.gz GTHJRLXZDCKJSQ-CQSZACIVSA-N 0 0 304.353 3.021 10 30 DGEERN CN1CC[C@@H](C(=O)Nc2ccccc2NC2CCCC2)CC1=O ZINC000330117489 529792371 /nfs/dbraw/zinc/79/23/71/529792371.db2.gz XBYYSCCMAWEALV-CYBMUJFWSA-N 0 0 315.417 3.498 10 30 DGEERN COC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000103394176 432008721 /nfs/dbraw/zinc/00/87/21/432008721.db2.gz WOJYIYAOIUTOFA-CQSZACIVSA-N 0 0 324.380 3.358 10 30 DGEERN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC[C@@H]1CO1 ZINC000103539905 432011809 /nfs/dbraw/zinc/01/18/09/432011809.db2.gz CMVRDQOLJDTNPX-RXMQYKEDSA-N 0 0 320.151 3.260 10 30 DGEERN N#CC1(NC(=O)CCCOc2ccccc2Cl)CCCC1 ZINC000065308882 432011969 /nfs/dbraw/zinc/01/19/69/432011969.db2.gz XHLBTEKIQCZOKM-UHFFFAOYSA-N 0 0 306.793 3.452 10 30 DGEERN C#CCC(CC#C)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277870335 213827587 /nfs/dbraw/zinc/82/75/87/213827587.db2.gz ZULKADWGUXTNBQ-MRXNPFEDSA-N 0 0 311.450 3.290 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000130023973 432013224 /nfs/dbraw/zinc/01/32/24/432013224.db2.gz HRALRAYESBFLCC-DOTOQJQBSA-N 0 0 324.380 3.188 10 30 DGEERN N#Cc1nc(NCc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000236226122 201925352 /nfs/dbraw/zinc/92/53/52/201925352.db2.gz YPISXYCZWAEISR-UHFFFAOYSA-N 0 0 306.684 3.266 10 30 DGEERN N#Cc1ccccc1NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000130259225 432019592 /nfs/dbraw/zinc/01/95/92/432019592.db2.gz SBBNRAPCVPGGQE-UHFFFAOYSA-N 0 0 321.258 3.147 10 30 DGEERN COC(=O)c1cc(F)ccc1COc1ccc(C#N)c(F)c1 ZINC000066750296 432020572 /nfs/dbraw/zinc/02/05/72/432020572.db2.gz JIUCOYGCWIBZTD-UHFFFAOYSA-N 0 0 303.264 3.202 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)CSC ZINC000066767961 432020926 /nfs/dbraw/zinc/02/09/26/432020926.db2.gz SCSSFZRKBYSVNY-GFCCVEGCSA-N 0 0 308.403 3.109 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277406300 213503015 /nfs/dbraw/zinc/50/30/15/213503015.db2.gz ZTTOGBLBJXPASS-CJNGLKHVSA-N 0 0 313.401 3.380 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000130173466 185943900 /nfs/dbraw/zinc/94/39/00/185943900.db2.gz GIAILOIOYOASIJ-FQEVSTJZSA-N 0 0 320.392 3.255 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000152562588 186085593 /nfs/dbraw/zinc/08/55/93/186085593.db2.gz HSTWTNSWHGMLAQ-UHFFFAOYSA-N 0 0 303.406 3.127 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067046527 432025507 /nfs/dbraw/zinc/02/55/07/432025507.db2.gz PGIHZTRGGNJPMN-OAHLLOKOSA-N 0 0 311.410 3.229 10 30 DGEERN C#CCCCC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000277216133 213372689 /nfs/dbraw/zinc/37/26/89/213372689.db2.gz LCYPHDKCKYGWDZ-ZDUSSCGKSA-N 0 0 322.202 3.192 10 30 DGEERN Cc1c(C(=O)/C=C/N(C)C)cnn1-c1nc2ccccc2s1 ZINC000072415600 191155512 /nfs/dbraw/zinc/15/55/12/191155512.db2.gz VUNLNGUDUYQBKF-CMDGGOBGSA-N 0 0 312.398 3.048 10 30 DGEERN C[C@H]1COCC[C@@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000194903442 290966866 /nfs/dbraw/zinc/96/68/66/290966866.db2.gz DIUWANJXXFXOQE-CQDIZWNASA-N 0 0 306.450 3.274 10 30 DGEERN N#Cc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1 ZINC000000503276 180809120 /nfs/dbraw/zinc/80/91/20/180809120.db2.gz OFZHXJORVYPZJN-UHFFFAOYSA-N 0 0 309.394 3.004 10 30 DGEERN CC(C)C[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000073189854 191288915 /nfs/dbraw/zinc/28/89/15/191288915.db2.gz MUNJVWGKHPMMLY-GJZGRUSLSA-N 0 0 300.402 3.220 10 30 DGEERN N#CC1(C(=O)N2CCc3c2cccc3Br)CCC1 ZINC000421657150 283042637 /nfs/dbraw/zinc/04/26/37/283042637.db2.gz NHNWYHZNJDNOKD-UHFFFAOYSA-N 0 0 305.175 3.032 10 30 DGEERN N#Cc1c(N)sc2c1CCN(c1cc(C(F)(F)F)ccn1)C2 ZINC000301599874 283078477 /nfs/dbraw/zinc/07/84/77/283078477.db2.gz URBQVYQWTCHAOO-UHFFFAOYSA-N 0 0 324.331 3.178 10 30 DGEERN N#Cc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)s1 ZINC000487497465 283133957 /nfs/dbraw/zinc/13/39/57/283133957.db2.gz JDJHBARSHHHUKM-UHFFFAOYSA-N 0 0 303.290 3.347 10 30 DGEERN CC[C@H](C#N)NC(=O)c1ccccc1Nc1ccc(OC)cc1 ZINC000179239833 432051659 /nfs/dbraw/zinc/05/16/59/432051659.db2.gz TZFGNGRGFPUNSU-CYBMUJFWSA-N 0 0 309.369 3.471 10 30 DGEERN N#Cc1c(=O)n2c(nc1-c1ccc(Cl)cc1)SCCCC2 ZINC000005607361 181262823 /nfs/dbraw/zinc/26/28/23/181262823.db2.gz TYKMQVKLFYOIJK-UHFFFAOYSA-N 0 0 317.801 3.321 10 30 DGEERN N#Cc1csc(CN2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000179502427 432060297 /nfs/dbraw/zinc/06/02/97/432060297.db2.gz ZZWSQNVIDBXIIT-UHFFFAOYSA-N 0 0 324.409 3.083 10 30 DGEERN N#C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000179556611 432062068 /nfs/dbraw/zinc/06/20/68/432062068.db2.gz RAEOQCWDJOCYDJ-AWEZNQCLSA-N 0 0 301.777 3.495 10 30 DGEERN C[C@H](NC(=O)c1sccc1C#N)c1ccccc1-n1cccn1 ZINC000153519130 299255861 /nfs/dbraw/zinc/25/58/61/299255861.db2.gz BMLSXDUNAOZQRP-LBPRGKRZSA-N 0 0 322.393 3.296 10 30 DGEERN N#Cc1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1F ZINC000180674754 199195012 /nfs/dbraw/zinc/19/50/12/199195012.db2.gz SUUHLBVAXWRVCT-OAHLLOKOSA-N 0 0 313.336 3.180 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180697894 199198656 /nfs/dbraw/zinc/19/86/56/199198656.db2.gz WFEAFCIQHDDNFC-INIZCTEOSA-N 0 0 309.373 3.349 10 30 DGEERN CCOC(=O)CN(Cc1ccc(C#N)o1)[C@@H](C)c1ccccc1 ZINC000180941760 199231243 /nfs/dbraw/zinc/23/12/43/199231243.db2.gz ZJBDSLZXWMDZNS-AWEZNQCLSA-N 0 0 312.369 3.278 10 30 DGEERN N#Cc1c(N)cccc1[S@](=O)c1ccccc1Br ZINC000005933972 181298142 /nfs/dbraw/zinc/29/81/42/181298142.db2.gz BGKZVMNDCKQCSL-GOSISDBHSA-N 0 0 321.199 3.070 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(Br)cn1 ZINC000170764175 432079259 /nfs/dbraw/zinc/07/92/59/432079259.db2.gz QBQMRYCIFSFJSG-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN CC(C)OC[C@@H](O)CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000180390842 432085539 /nfs/dbraw/zinc/08/55/39/432085539.db2.gz QTDFWDVHTQMNKN-LLVKDONJSA-N 0 0 319.348 3.455 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CCC1 ZINC000189265751 200372505 /nfs/dbraw/zinc/37/25/05/200372505.db2.gz MMVNNPBWHADMHC-OAHLLOKOSA-N 0 0 314.429 3.137 10 30 DGEERN C=CCCN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000276141228 212696147 /nfs/dbraw/zinc/69/61/47/212696147.db2.gz NHFUPSBREGWARG-UHFFFAOYSA-N 0 0 318.417 3.359 10 30 DGEERN CCOc1ccc(C#N)cc1NCc1nc(-c2ccoc2)no1 ZINC000170938644 432088633 /nfs/dbraw/zinc/08/86/33/432088633.db2.gz JCLOYWKKLYRUTH-UHFFFAOYSA-N 0 0 310.313 3.212 10 30 DGEERN C#CCCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000180515607 432089143 /nfs/dbraw/zinc/08/91/43/432089143.db2.gz WBAHMLMNCPYWAB-WMZOPIPTSA-N 0 0 318.848 3.395 10 30 DGEERN C=CCCN(C)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000276011734 212629136 /nfs/dbraw/zinc/62/91/36/212629136.db2.gz AVKPAWBMXDNATK-UHFFFAOYSA-N 0 0 318.402 3.254 10 30 DGEERN C=CCc1cccc(C=NNc2nnc(SCCC)[nH]2)c1O ZINC000006044758 181308069 /nfs/dbraw/zinc/30/80/69/181308069.db2.gz YSESFBUXQMHENR-MHWRWJLKSA-N 0 0 317.418 3.187 10 30 DGEERN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000171013635 432094397 /nfs/dbraw/zinc/09/43/97/432094397.db2.gz ONKJGEWZLIDQJF-GFCCVEGCSA-N 0 0 316.382 3.066 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)c(Br)s1 ZINC000435990949 238380696 /nfs/dbraw/zinc/38/06/96/238380696.db2.gz CEWDZGILEGEYQK-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000435999434 238381484 /nfs/dbraw/zinc/38/14/84/238381484.db2.gz ZCFDNSXPMWYJHM-UHFFFAOYSA-N 0 0 317.348 3.369 10 30 DGEERN Cc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1Br ZINC000436007007 238381962 /nfs/dbraw/zinc/38/19/62/238381962.db2.gz LYLAASWUMHLCJB-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000436012183 238383536 /nfs/dbraw/zinc/38/35/36/238383536.db2.gz TYPINXQVNMHGSI-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN CCc1ccc(CN(C(=O)c2ccnc(C#N)c2)C2CC2)cc1 ZINC000192574400 200904581 /nfs/dbraw/zinc/90/45/81/200904581.db2.gz LSSVKAIGGYUPRS-UHFFFAOYSA-N 0 0 305.381 3.320 10 30 DGEERN O=[N+]([O-])c1ccc(CN=Nc2cc(Cl)cc(Cl)n2)o1 ZINC000006334390 181330960 /nfs/dbraw/zinc/33/09/60/181330960.db2.gz LZLGKPCSVYBJKE-WLRTZDKTSA-N 0 0 301.089 3.336 10 30 DGEERN Cc1c(NC(=O)NCCc2cccc(C#N)c2)cccc1N(C)C ZINC000439375524 238856756 /nfs/dbraw/zinc/85/67/56/238856756.db2.gz XUYJCPHCODGAFW-UHFFFAOYSA-N 0 0 322.412 3.297 10 30 DGEERN CN(C)c1nc(CSCc2cc(F)ccc2C#N)ns1 ZINC000180723445 432097456 /nfs/dbraw/zinc/09/74/56/432097456.db2.gz UJIMFFXHEUPSKW-UHFFFAOYSA-N 0 0 308.407 3.048 10 30 DGEERN C=CCCCN(C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000135102770 432097845 /nfs/dbraw/zinc/09/78/45/432097845.db2.gz NVPSNIMTGKOQBF-UHFFFAOYSA-N 0 0 305.403 3.155 10 30 DGEERN CC1CCN(c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)CC1 ZINC000195054785 201331417 /nfs/dbraw/zinc/33/14/17/201331417.db2.gz NCENXCNZWRSNSD-UHFFFAOYSA-N 0 0 320.396 3.442 10 30 DGEERN C[C@H]1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000070549231 283737460 /nfs/dbraw/zinc/73/74/60/283737460.db2.gz IFKXKJGATVUECE-UONOGXRCSA-N 0 0 306.431 3.053 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCCO2)cc1 ZINC000091050676 192976672 /nfs/dbraw/zinc/97/66/72/192976672.db2.gz QJCIIZJJYMOJFO-GOSISDBHSA-N 0 0 306.365 3.020 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1cc2cccnc2o1 ZINC000449321826 240129509 /nfs/dbraw/zinc/12/95/09/240129509.db2.gz NJFFJHBIWDWLGB-UHFFFAOYSA-N 0 0 312.369 3.491 10 30 DGEERN C=CCC[C@@H](NCc1c[nH]c(-c2ccccc2)n1)C(=O)OCC ZINC000449659887 240348769 /nfs/dbraw/zinc/34/87/69/240348769.db2.gz WMQQDEBVDITDDG-MRXNPFEDSA-N 0 0 313.401 3.064 10 30 DGEERN C=CCOc1ccc(CNCc2cnc(CCC)o2)cc1OC ZINC000449614261 240317925 /nfs/dbraw/zinc/31/79/25/240317925.db2.gz VEGRYLLZSBXZCP-UHFFFAOYSA-N 0 0 316.401 3.490 10 30 DGEERN N#Cc1cc(NCC(=O)Nc2cc(F)cc(F)c2)ccc1F ZINC000076941899 283843899 /nfs/dbraw/zinc/84/38/99/283843899.db2.gz FVZPNSNKHDXLHW-UHFFFAOYSA-N 0 0 305.259 3.026 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000449906705 240474747 /nfs/dbraw/zinc/47/47/47/240474747.db2.gz ZWFFIICRODUVPT-NVXWUHKLSA-N 0 0 307.397 3.038 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000451381718 241102710 /nfs/dbraw/zinc/10/27/10/241102710.db2.gz YIHWTGYFQQJNBW-MQMHXKEQSA-N 0 0 313.788 3.226 10 30 DGEERN N#CCCOCC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451563714 241175727 /nfs/dbraw/zinc/17/57/27/241175727.db2.gz FFPLCVNGFRYNMB-AWEZNQCLSA-N 0 0 323.234 3.169 10 30 DGEERN CC(C)=CCC[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451738844 241221559 /nfs/dbraw/zinc/22/15/59/241221559.db2.gz JABJZHABSWKIRY-CYBMUJFWSA-N 0 0 324.421 3.252 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2COc3ccc(F)cc3C2)CCCC1 ZINC000451823758 241245457 /nfs/dbraw/zinc/24/54/57/241245457.db2.gz KRDDBVXQXPZPBO-HNNXBMFYSA-N 0 0 303.377 3.382 10 30 DGEERN CC[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(F)F ZINC000452248893 241362887 /nfs/dbraw/zinc/36/28/87/241362887.db2.gz QWTJZPWMPQYFOZ-JSGCOSHPSA-N 0 0 310.344 3.122 10 30 DGEERN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000080980474 283907110 /nfs/dbraw/zinc/90/71/10/283907110.db2.gz IITYWVFVWDJZJN-UHFFFAOYSA-N 0 0 324.384 3.134 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000080980320 283907231 /nfs/dbraw/zinc/90/72/31/283907231.db2.gz MJINWBNVXLDKQS-UHFFFAOYSA-N 0 0 309.247 3.048 10 30 DGEERN CC[C@H](NC(=O)c1cc(C#N)cn1C)c1cccc(Cl)c1 ZINC000081001430 283907769 /nfs/dbraw/zinc/90/77/69/283907769.db2.gz PZIHCXUHLCHVRP-AWEZNQCLSA-N 0 0 301.777 3.431 10 30 DGEERN CC(C)OC(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000453316562 241720351 /nfs/dbraw/zinc/72/03/51/241720351.db2.gz IKLLOAUNPQKXLL-WBMJQRKESA-N 0 0 306.381 3.324 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000181087353 432111697 /nfs/dbraw/zinc/11/16/97/432111697.db2.gz NHGJJTMIPJPGLZ-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN CN(C)c1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cn1 ZINC000454453763 241954260 /nfs/dbraw/zinc/95/42/60/241954260.db2.gz ZMZOIZJBHNJFQB-UHFFFAOYSA-N 0 0 322.412 3.227 10 30 DGEERN C=CCCOCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454723417 242019330 /nfs/dbraw/zinc/01/93/30/242019330.db2.gz WYGLCYGAPOCDQQ-HNNXBMFYSA-N 0 0 304.390 3.109 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000455428580 242198186 /nfs/dbraw/zinc/19/81/86/242198186.db2.gz SHATYJINZQZRTG-RVMXOQNASA-N 0 0 320.355 3.092 10 30 DGEERN C=C(C)CCNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000455319279 242168367 /nfs/dbraw/zinc/16/83/67/242168367.db2.gz ZTFNGAFSDDIJJI-UHFFFAOYSA-N 0 0 324.371 3.484 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000455380397 242184006 /nfs/dbraw/zinc/18/40/06/242184006.db2.gz IQLJHXGLZYEYJP-KBXCAEBGSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H](C(=O)NCC)C(C)C ZINC000455379425 242184468 /nfs/dbraw/zinc/18/44/68/242184468.db2.gz HAHYFMMMUJPWFA-INIZCTEOSA-N 0 0 317.433 3.087 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000455384063 242186549 /nfs/dbraw/zinc/18/65/49/242186549.db2.gz NIPDIQMUEZXTQV-WBVHZDCISA-N 0 0 302.418 3.478 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000455428584 242197584 /nfs/dbraw/zinc/19/75/84/242197584.db2.gz SHATYJINZQZRTG-XQHKEYJVSA-N 0 0 320.355 3.092 10 30 DGEERN COc1ccc(CS[C@H](C)C(=O)NC2CCCC2)cc1C#N ZINC000135322545 432112940 /nfs/dbraw/zinc/11/29/40/432112940.db2.gz SEKXNSNQMAHRNH-GFCCVEGCSA-N 0 0 318.442 3.247 10 30 DGEERN C=C(CC)CNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000455517242 242223514 /nfs/dbraw/zinc/22/35/14/242223514.db2.gz DVCMOLPQCJURSO-CZUORRHYSA-N 0 0 306.381 3.263 10 30 DGEERN Cc1nnc([C@@H]2CCCCN2C(=O)Nc2cc(C)cc(C#N)c2)[nH]1 ZINC000455954408 242316614 /nfs/dbraw/zinc/31/66/14/242316614.db2.gz LZCLLHMOUBUNEO-HNNXBMFYSA-N 0 0 324.388 3.052 10 30 DGEERN Cc1nnc([C@H]2CCCCN2C(=O)Nc2cc(C)cc(C#N)c2)[nH]1 ZINC000455954409 242316816 /nfs/dbraw/zinc/31/68/16/242316816.db2.gz LZCLLHMOUBUNEO-OAHLLOKOSA-N 0 0 324.388 3.052 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000456261148 242393089 /nfs/dbraw/zinc/39/30/89/242393089.db2.gz COOKOZURYALSQP-AEFFLSMTSA-N 0 0 315.413 3.062 10 30 DGEERN N#Cc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)o1 ZINC000092093045 193155919 /nfs/dbraw/zinc/15/59/19/193155919.db2.gz TXUZZDBFEHIJEC-UHFFFAOYSA-N 0 0 318.323 3.473 10 30 DGEERN C[C@@H](CC(C)(C)C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000457194264 242684833 /nfs/dbraw/zinc/68/48/33/242684833.db2.gz OMQMJZPQGMYHAV-YVEFUNNKSA-N 0 0 310.438 3.189 10 30 DGEERN N#CC1CCC(CNC(=O)c2cc(Br)co2)CC1 ZINC000457776985 242870992 /nfs/dbraw/zinc/87/09/92/242870992.db2.gz NDGFWRCKMGEXKT-UHFFFAOYSA-N 0 0 311.179 3.102 10 30 DGEERN CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458025504 242943531 /nfs/dbraw/zinc/94/35/31/242943531.db2.gz KMIJDENJUAHCQE-IRXDYDNUSA-N 0 0 307.397 3.305 10 30 DGEERN C=CCC1(NC(=O)NCCc2cccc(OC)n2)CCCCC1 ZINC000458505944 243075690 /nfs/dbraw/zinc/07/56/90/243075690.db2.gz GBQZQUWSLHNJFN-UHFFFAOYSA-N 0 0 317.433 3.211 10 30 DGEERN C=CC(C)(C)CNC(=O)N(CC)[C@H](COC)Cc1ccccc1 ZINC000458985677 243219554 /nfs/dbraw/zinc/21/95/54/243219554.db2.gz IPBLQPDWDOOFLD-KRWDZBQOSA-N 0 0 318.461 3.488 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1COC[C@H]1OC ZINC000459537497 243406522 /nfs/dbraw/zinc/40/65/22/243406522.db2.gz YENYXJHRNDCEFN-JKSUJKDBSA-N 0 0 318.417 3.074 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459739634 243476325 /nfs/dbraw/zinc/47/63/25/243476325.db2.gz SZTRJADSZAGAOJ-UHFFFAOYSA-N 0 0 321.396 3.092 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@@H]1C ZINC000460963512 243577453 /nfs/dbraw/zinc/57/74/53/243577453.db2.gz YHSGODUKOFQPPD-GJZGRUSLSA-N 0 0 314.433 3.467 10 30 DGEERN CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000112674581 284094311 /nfs/dbraw/zinc/09/43/11/284094311.db2.gz SJIGFMAUUAGJPU-JKSUJKDBSA-N 0 0 306.431 3.051 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@@H](CC)C(F)(F)F ZINC000468324233 244033613 /nfs/dbraw/zinc/03/36/13/244033613.db2.gz TWWGLLDRJKVWQR-ZDUSSCGKSA-N 0 0 316.323 3.392 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000275110284 212125920 /nfs/dbraw/zinc/12/59/20/212125920.db2.gz XZUXEWPEEZSLTE-ZUZCIYMTSA-N 0 0 320.343 3.366 10 30 DGEERN CO[C@H](C)[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000470214535 244158226 /nfs/dbraw/zinc/15/82/26/244158226.db2.gz DYPLADGMSKPQKM-UONOGXRCSA-N 0 0 323.396 3.455 10 30 DGEERN CO[C@@H](C)[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000470214534 244158981 /nfs/dbraw/zinc/15/89/81/244158981.db2.gz DYPLADGMSKPQKM-KBPBESRZSA-N 0 0 323.396 3.455 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000474073490 244368125 /nfs/dbraw/zinc/36/81/25/244368125.db2.gz MNFXZAQHMCAHSC-CQSZACIVSA-N 0 0 310.438 3.106 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](C)C2 ZINC000181252000 432120587 /nfs/dbraw/zinc/12/05/87/432120587.db2.gz ASEZPTWNUIKOSF-JLTOFOAXSA-N 0 0 304.393 3.459 10 30 DGEERN CCOc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1F ZINC000121235366 284191670 /nfs/dbraw/zinc/19/16/70/284191670.db2.gz GLXGGVGRACMLNI-UHFFFAOYSA-N 0 0 312.344 3.335 10 30 DGEERN C=CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2sccc2C)O1 ZINC000096064773 193516316 /nfs/dbraw/zinc/51/63/16/193516316.db2.gz WRMOUUNSCBSYHX-ILXRZTDVSA-N 0 0 321.442 3.021 10 30 DGEERN Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)cc3C)n[nH]2)cc1 ZINC000122336875 284217589 /nfs/dbraw/zinc/21/75/89/284217589.db2.gz XACBXPDVQGAMRW-UHFFFAOYSA-N 0 0 317.352 3.213 10 30 DGEERN C=CCOc1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1OC ZINC000264585350 204011495 /nfs/dbraw/zinc/01/14/95/204011495.db2.gz IAFOVEMNLBIYAV-CYBMUJFWSA-N 0 0 316.357 3.032 10 30 DGEERN CCN(C(=O)c1cc(C#N)cn1C)[C@@H](C)c1cccc(OC)c1 ZINC000176665590 284251559 /nfs/dbraw/zinc/25/15/59/284251559.db2.gz RZXHRGJBQJDBSM-ZDUSSCGKSA-N 0 0 311.385 3.129 10 30 DGEERN C=C(C)COCCNC(=O)NCc1ccc(C2CC2)cc1F ZINC000489733527 245340913 /nfs/dbraw/zinc/34/09/13/245340913.db2.gz HPWZRIALDPHWNS-UHFFFAOYSA-N 0 0 306.381 3.095 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000278175583 214004701 /nfs/dbraw/zinc/00/47/01/214004701.db2.gz BUSFROABCNAPPO-IUODEOHRSA-N 0 0 322.792 3.218 10 30 DGEERN Cc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1C(=O)N(C)C ZINC000128862425 284389607 /nfs/dbraw/zinc/38/96/07/284389607.db2.gz WLFDUXITNCRALM-UHFFFAOYSA-N 0 0 321.380 3.129 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000493734905 246053794 /nfs/dbraw/zinc/05/37/94/246053794.db2.gz GLZZWSIBZSSJDH-UHFFFAOYSA-N 0 0 316.426 3.134 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000494407209 246144713 /nfs/dbraw/zinc/14/47/13/246144713.db2.gz SOPCVOBWHDOMOZ-GFCCVEGCSA-N 0 0 311.307 3.074 10 30 DGEERN C=CC[C@@H](C(=O)N1CC=C(c2ccnn2C)CC1)c1ccccc1 ZINC000286270257 335031088 /nfs/dbraw/zinc/03/10/88/335031088.db2.gz LJYQKCCYXGZAKY-GOSISDBHSA-N 0 0 321.424 3.396 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000029789869 182577032 /nfs/dbraw/zinc/57/70/32/182577032.db2.gz XEKQYFVZYDYYLO-PBHICJAKSA-N 0 0 321.380 3.084 10 30 DGEERN Cc1ccc(C(=O)NC2CC2)cc1NCC#Cc1ccccc1 ZINC000190344509 432144723 /nfs/dbraw/zinc/14/47/23/432144723.db2.gz GYIAXMALTMZGPN-UHFFFAOYSA-N 0 0 304.393 3.351 10 30 DGEERN Cc1oc(NC(=O)CN2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000246617834 432148551 /nfs/dbraw/zinc/14/85/51/432148551.db2.gz IEJDNIPMDCCHEZ-NWDGAFQWSA-N 0 0 303.406 3.075 10 30 DGEERN C=CCN(CC=C)c1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000040373826 183057252 /nfs/dbraw/zinc/05/72/52/183057252.db2.gz BZAJWSOFKUGXPN-UHFFFAOYSA-N 0 0 310.313 3.300 10 30 DGEERN CCN(Cc1c(Cl)cccc1Cl)C[C@@H](C)/C(N)=N/O ZINC000042445149 183271048 /nfs/dbraw/zinc/27/10/48/183271048.db2.gz WIPMFNKQUGKURT-SECBINFHSA-N 0 0 304.221 3.198 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cccnc1 ZINC000287243727 335042320 /nfs/dbraw/zinc/04/23/20/335042320.db2.gz GNJKFWFCEBQYTA-APWZRJJASA-N 0 0 321.424 3.419 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cccnc1 ZINC000287243741 335042432 /nfs/dbraw/zinc/04/24/32/335042432.db2.gz GNJKFWFCEBQYTA-VQIMIIECSA-N 0 0 321.424 3.419 10 30 DGEERN C=C(C)[C@H](Cc1nc(COc2ccc(OC)cc2)no1)OCC ZINC000273722652 211004459 /nfs/dbraw/zinc/00/44/59/211004459.db2.gz OBHNTVYUHONFKC-HNNXBMFYSA-N 0 0 318.373 3.181 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(Cl)cn1 ZINC000109732994 194281848 /nfs/dbraw/zinc/28/18/48/194281848.db2.gz WSHNARISWFNWPK-NSHDSACASA-N 0 0 315.760 3.037 10 30 DGEERN N#Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)nc1 ZINC000110286072 194320164 /nfs/dbraw/zinc/32/01/64/194320164.db2.gz RTYWYXXVXPNWPZ-WBVHZDCISA-N 0 0 307.353 3.060 10 30 DGEERN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1C ZINC000246191144 284874549 /nfs/dbraw/zinc/87/45/49/284874549.db2.gz OAMYZBPLGSUXEP-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN N#Cc1ncccc1CNCc1cc(F)ccc1Br ZINC000061657817 184181117 /nfs/dbraw/zinc/18/11/17/184181117.db2.gz HUUZGSCLRCRGFJ-UHFFFAOYSA-N 0 0 320.165 3.145 10 30 DGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000117598285 194834792 /nfs/dbraw/zinc/83/47/92/194834792.db2.gz DDQVRKMNJKETRY-FZKQIMNGSA-N 0 0 306.365 3.081 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)NCc2cc(C#N)ccc2F)o1 ZINC000175340189 252689766 /nfs/dbraw/zinc/68/97/66/252689766.db2.gz GYEQYQYPRDPVGI-NSHDSACASA-N 0 0 301.321 3.159 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)OCC ZINC000270034234 208088223 /nfs/dbraw/zinc/08/82/23/208088223.db2.gz HQNWKTMMWUPALT-QGZVFWFLSA-N 0 0 318.392 3.337 10 30 DGEERN N#Cc1cc(Br)ccc1CN1CCC[C@H]1CCCO ZINC000336811439 253003063 /nfs/dbraw/zinc/00/30/63/253003063.db2.gz MZKUXPGXLZZXQD-HNNXBMFYSA-N 0 0 323.234 3.058 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000270318251 208389117 /nfs/dbraw/zinc/38/91/17/208389117.db2.gz FSQWMTHNCVSTRE-YEJXKQKISA-N 0 0 308.447 3.093 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC/C=C\c1ccccc1 ZINC000255281016 285141760 /nfs/dbraw/zinc/14/17/60/285141760.db2.gz PAQCGHPBXGBWBL-XMELGKRDSA-N 0 0 306.365 3.155 10 30 DGEERN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000328838656 533098076 /nfs/dbraw/zinc/09/80/76/533098076.db2.gz YHTDDFHDZUBCSE-BMFZPTHFSA-N 0 0 322.449 3.082 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000255499560 285159176 /nfs/dbraw/zinc/15/91/76/285159176.db2.gz XSUZQAITZKCLOI-UPHRSURJSA-N 0 0 324.355 3.296 10 30 DGEERN N#Cc1c(CN2CCO[C@@H](c3cccs3)C2)cn2ccccc12 ZINC000157621261 197202251 /nfs/dbraw/zinc/20/22/51/197202251.db2.gz OMMCRRVMIGCCTC-QGZVFWFLSA-N 0 0 323.421 3.446 10 30 DGEERN N#Cc1cc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)ccc1F ZINC000343696561 254178500 /nfs/dbraw/zinc/17/85/00/254178500.db2.gz YGHDCSBGDVFMOJ-AEFFLSMTSA-N 0 0 314.335 3.144 10 30 DGEERN N#Cc1cc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1F ZINC000343696567 254178904 /nfs/dbraw/zinc/17/89/04/254178904.db2.gz YGHDCSBGDVFMOJ-WMZOPIPTSA-N 0 0 314.335 3.144 10 30 DGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000184354970 533163021 /nfs/dbraw/zinc/16/30/21/533163021.db2.gz BBAJHNXZWMOWNR-WFASDCNBSA-N 0 0 323.352 3.233 10 30 DGEERN COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000120766379 195233495 /nfs/dbraw/zinc/23/34/95/195233495.db2.gz ONHSBZVMRLNXAC-HNNXBMFYSA-N 0 0 313.426 3.403 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC000288832137 335055542 /nfs/dbraw/zinc/05/55/42/335055542.db2.gz HCJDCXAPMHPHHJ-UHFFFAOYSA-N 0 0 314.410 3.062 10 30 DGEERN CC(C)CC[C@](C)(O)CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000151444888 196681402 /nfs/dbraw/zinc/68/14/02/196681402.db2.gz AUZSYSITFMTPER-INIZCTEOSA-N 0 0 307.369 3.006 10 30 DGEERN COc1ccc(/C=C(\C)C(=O)NC2(C#N)CCCC2)cc1F ZINC000182347802 533225307 /nfs/dbraw/zinc/22/53/07/533225307.db2.gz PLKZBXFTFHXBCQ-FMIVXFBMSA-N 0 0 302.349 3.190 10 30 DGEERN COc1cc(C#N)ccc1CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000121592901 195312000 /nfs/dbraw/zinc/31/20/00/195312000.db2.gz UCEOBAKAZDCBEK-SFHVURJKSA-N 0 0 312.369 3.042 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000121891276 195369215 /nfs/dbraw/zinc/36/92/15/195369215.db2.gz QKEIAFZXXKSGCO-OAHLLOKOSA-N 0 0 306.365 3.163 10 30 DGEERN CCOC(=O)CCN(C(=O)c1ccc(C#N)cc1C)C(C)(C)C ZINC000122395668 195444359 /nfs/dbraw/zinc/44/43/59/195444359.db2.gz OBJIMQJHKHEDKP-UHFFFAOYSA-N 0 0 316.401 3.061 10 30 DGEERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCCC1 ZINC000122002833 195388945 /nfs/dbraw/zinc/38/89/45/195388945.db2.gz OQFXREHYXSUYNA-NSHDSACASA-N 0 0 319.386 3.028 10 30 DGEERN N#CC1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CCCC1 ZINC000122055315 195395195 /nfs/dbraw/zinc/39/51/95/195395195.db2.gz VGNXNODZONPGCN-UHFFFAOYSA-N 0 0 302.761 3.068 10 30 DGEERN COc1ccc(S[C@@H](C)C(=O)NC2(C#N)CCCC2)cc1 ZINC000124832004 195684684 /nfs/dbraw/zinc/68/46/84/195684684.db2.gz AAEMBPUVOKIPQN-LBPRGKRZSA-N 0 0 304.415 3.128 10 30 DGEERN N#Cc1cc(CN2CCO[C@H](c3ccsc3)C2)ccc1F ZINC000125006804 195701695 /nfs/dbraw/zinc/70/16/95/195701695.db2.gz YWLBTISXKCVLIP-INIZCTEOSA-N 0 0 302.374 3.332 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1COCC1(C)C ZINC000455486638 533509435 /nfs/dbraw/zinc/50/94/35/533509435.db2.gz IGMARWJIIWAGKF-INIZCTEOSA-N 0 0 302.418 3.199 10 30 DGEERN COc1cccc(N2CCC[C@H](Nc3ccc(C)c(C#N)n3)C2)c1 ZINC000302692920 533577757 /nfs/dbraw/zinc/57/77/57/533577757.db2.gz ZZDAOWOPMVJYIV-HNNXBMFYSA-N 0 0 322.412 3.351 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@H]2C=O ZINC000584591807 400086232 /nfs/dbraw/zinc/08/62/32/400086232.db2.gz LYTKTHXGDZMUAY-UVFUQYPRSA-N 0 0 320.473 3.320 10 30 DGEERN C=C(CC)CNC(=O)c1c(OC)cccc1OC(F)(F)F ZINC000616116533 400086527 /nfs/dbraw/zinc/08/65/27/400086527.db2.gz SKEHZXMAOTYUOV-UHFFFAOYSA-N 0 0 303.280 3.290 10 30 DGEERN C=C1C[C@]23CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2C[C@H]1[C@@H](O)C3=O ZINC000005757360 400090022 /nfs/dbraw/zinc/09/00/22/400090022.db2.gz UQKJSKXVMBIKGF-RJECZMIFSA-N 0 0 316.441 3.304 10 30 DGEERN C[C@@H]1C[C@]23O[C@H]2C(=O)CC[C@@H]3[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 ZINC000006183244 400091062 /nfs/dbraw/zinc/09/10/62/400091062.db2.gz WKIALNATROGPCW-IAOGMCPLSA-N 0 0 318.457 3.336 10 30 DGEERN C#CCCNc1cc(I)ccc1Cl ZINC000300763627 400100385 /nfs/dbraw/zinc/10/03/85/400100385.db2.gz OCSSSHKZPRXGMH-UHFFFAOYSA-N 0 0 305.546 3.380 10 30 DGEERN C=CCCCN(C)C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000303714358 400111308 /nfs/dbraw/zinc/11/13/08/400111308.db2.gz DBMLXAYYJHSVJT-OAHLLOKOSA-N 0 0 301.434 3.045 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccccc1CS(C)(=O)=O ZINC000581497311 400080172 /nfs/dbraw/zinc/08/01/72/400080172.db2.gz RDIFIMBEEAHKOL-UHFFFAOYSA-N 0 0 324.446 3.099 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(C(C)C)cc1 ZINC000581663406 400082022 /nfs/dbraw/zinc/08/20/22/400082022.db2.gz ZCBAALCFVBTXLY-ROUUACIJSA-N 0 0 316.445 3.243 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H]2CCc3cccc(O)c32)cc1 ZINC000581683053 400082099 /nfs/dbraw/zinc/08/20/99/400082099.db2.gz ZAYJPTWCFOKHKZ-KRWDZBQOSA-N 0 0 323.392 3.303 10 30 DGEERN Cc1cc(C#N)nc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000587607658 400174483 /nfs/dbraw/zinc/17/44/83/400174483.db2.gz OEQAFWAGSNUBBN-FUHWJXTLSA-N 0 0 322.412 3.261 10 30 DGEERN C[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccncc1 ZINC000587992483 400177457 /nfs/dbraw/zinc/17/74/57/400177457.db2.gz NYNJAOIRCINCTN-LLVKDONJSA-N 0 0 311.776 3.470 10 30 DGEERN CCCCO[C@@H]1C[C@H](N(C)c2nc(C)cc(C#N)n2)C1(C)C ZINC000587990549 400177518 /nfs/dbraw/zinc/17/75/18/400177518.db2.gz ZTDYYTMSLQBMBP-LSDHHAIUSA-N 0 0 302.422 3.077 10 30 DGEERN COc1ccccc1[C@@H]1CCCCN1c1nc(C)cc(C#N)n1 ZINC000588008695 400179532 /nfs/dbraw/zinc/17/95/32/400179532.db2.gz GNUNXQWZWNLTCO-INIZCTEOSA-N 0 0 308.385 3.397 10 30 DGEERN COc1ccccc1[C@H]1CCCCN1c1nc(C)cc(C#N)n1 ZINC000588008696 400179780 /nfs/dbraw/zinc/17/97/80/400179780.db2.gz GNUNXQWZWNLTCO-MRXNPFEDSA-N 0 0 308.385 3.397 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1c(C)nn(C)c1C ZINC000328625767 400182798 /nfs/dbraw/zinc/18/27/98/400182798.db2.gz KZJRAUAEFYSFPH-GFCCVEGCSA-N 0 0 318.446 3.227 10 30 DGEERN CC(C)(C)OC(=O)NCCN1CCC[C@H]1c1ccccc1C#N ZINC000616610526 400185360 /nfs/dbraw/zinc/18/53/60/400185360.db2.gz SEERXZSINJMGPH-INIZCTEOSA-N 0 0 315.417 3.220 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000616302071 400121510 /nfs/dbraw/zinc/12/15/10/400121510.db2.gz ZMCMUJPOGIFTOS-JQHSSLGASA-N 0 0 301.430 3.495 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000608815918 400124034 /nfs/dbraw/zinc/12/40/34/400124034.db2.gz PEIJQTYGUXFKPG-GFCCVEGCSA-N 0 0 303.749 3.417 10 30 DGEERN N#CC1(c2ncc(Br)cc2Br)CC1 ZINC000306178454 400124281 /nfs/dbraw/zinc/12/42/81/400124281.db2.gz YYJNQDVYTVTIMM-UHFFFAOYSA-N 0 0 301.969 3.162 10 30 DGEERN Cc1nc(-c2ccc(CNc3nccnc3C#N)s2)cs1 ZINC000608830397 400127871 /nfs/dbraw/zinc/12/78/71/400127871.db2.gz SBKMUQUMJDNMQZ-UHFFFAOYSA-N 0 0 313.411 3.454 10 30 DGEERN N#Cc1cc(F)c(NCC[C@@H]2CCOC2)cc1Br ZINC000310668939 400133771 /nfs/dbraw/zinc/13/37/71/400133771.db2.gz HCMWGBDWVNHRBB-SECBINFHSA-N 0 0 313.170 3.298 10 30 DGEERN C=CCCSCCN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000600705082 400134751 /nfs/dbraw/zinc/13/47/51/400134751.db2.gz XZIGHTQJYKFJAW-INIZCTEOSA-N 0 0 310.463 3.187 10 30 DGEERN Cc1cccc(COc2ccc(-c3nnn(CCC#N)n3)cc2)c1 ZINC000013744430 400153458 /nfs/dbraw/zinc/15/34/58/400153458.db2.gz DUWPWDCTFJCOJL-UHFFFAOYSA-N 0 0 319.368 3.141 10 30 DGEERN C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C#N)cc1F ZINC000609239037 400153906 /nfs/dbraw/zinc/15/39/06/400153906.db2.gz AMUXZGICFHFBJX-GFCCVEGCSA-N 0 0 315.348 3.111 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000015361588 400164878 /nfs/dbraw/zinc/16/48/78/400164878.db2.gz FMSIIGPEHIOCHC-SNVBAGLBSA-N 0 0 302.280 3.242 10 30 DGEERN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000015800994 400168169 /nfs/dbraw/zinc/16/81/69/400168169.db2.gz IHOHXJLAZPPYTO-CYBMUJFWSA-N 0 0 310.353 3.363 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cnc3ccsc3c2)c(F)c1 ZINC000610227593 400225306 /nfs/dbraw/zinc/22/53/06/400225306.db2.gz WNVPPQSSAXPHPS-UHFFFAOYSA-N 0 0 311.341 3.237 10 30 DGEERN C=CCC1(c2nc(-c3cnn(C(C)(C)C)c3)no2)CCOCC1 ZINC000351306753 400246678 /nfs/dbraw/zinc/24/66/78/400246678.db2.gz ZHZRXAPEGPJEDV-UHFFFAOYSA-N 0 0 316.405 3.312 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000616698029 400208220 /nfs/dbraw/zinc/20/82/20/400208220.db2.gz RPYBVSPQWCIXGO-UHFFFAOYSA-N 0 0 314.429 3.417 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000610402673 400254713 /nfs/dbraw/zinc/25/47/13/400254713.db2.gz YXFIEXGYRJDGSS-IIAWOOMASA-N 0 0 315.392 3.465 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)Nc1ccccc1 ZINC000617038410 400288856 /nfs/dbraw/zinc/28/88/56/400288856.db2.gz WXTDUPZOXNJXDJ-GOEBONIOSA-N 0 0 315.417 3.059 10 30 DGEERN CC(C)[C@H](C#N)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000610675661 400289149 /nfs/dbraw/zinc/28/91/49/400289149.db2.gz XJUPNOCVOQQKGG-AWEZNQCLSA-N 0 0 320.506 3.106 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cccnc2)c1 ZINC000617039647 400289227 /nfs/dbraw/zinc/28/92/27/400289227.db2.gz JSDPMWMJLNHMPJ-RHSMWYFYSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cncn2)c1 ZINC000617040288 400289944 /nfs/dbraw/zinc/28/99/44/400289944.db2.gz RXMVWIHMFFJDCD-WMLDXEAASA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](OC)c1ccc(O)cc1 ZINC000617041788 400290127 /nfs/dbraw/zinc/29/01/27/400290127.db2.gz IWTZSZGKZOKLKZ-KBRIMQKVSA-N 0 0 303.402 3.331 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC000617040073 400290189 /nfs/dbraw/zinc/29/01/89/400290189.db2.gz PFYWLEZIWLUOGN-WBVHZDCISA-N 0 0 311.429 3.436 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1ccccn1 ZINC000617042911 400291130 /nfs/dbraw/zinc/29/11/30/400291130.db2.gz XCUZXZVMJCTJPB-CABCVRRESA-N 0 0 300.402 3.296 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)C1 ZINC000601318760 400291226 /nfs/dbraw/zinc/29/12/26/400291226.db2.gz AFHFAQKTYRGHSN-AWEZNQCLSA-N 0 0 307.434 3.313 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c1CCCC2 ZINC000617042872 400291222 /nfs/dbraw/zinc/29/12/22/400291222.db2.gz WMKINIMSPQAGJH-GJZGRUSLSA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000617043095 400291444 /nfs/dbraw/zinc/29/14/44/400291444.db2.gz ZJBITRNCMVYLLW-CZUORRHYSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000617043040 400291451 /nfs/dbraw/zinc/29/14/51/400291451.db2.gz YTSORAPSDHBCAL-ZNMIVQPWSA-N 0 0 308.466 3.178 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000617042750 400291482 /nfs/dbraw/zinc/29/14/82/400291482.db2.gz VKHYWYSCSJTXKQ-ZYHUDNBSSA-N 0 0 313.323 3.360 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000617044845 400291863 /nfs/dbraw/zinc/29/18/63/400291863.db2.gz UDVAOMREDLKOSD-DGCLKSJQSA-N 0 0 316.426 3.454 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1N ZINC000617044669 400291954 /nfs/dbraw/zinc/29/19/54/400291954.db2.gz QOSILIXLAFYBRP-RHSMWYFYSA-N 0 0 324.428 3.319 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1CC(F)(F)F ZINC000617043647 400292347 /nfs/dbraw/zinc/29/23/47/400292347.db2.gz CGZXOVJHHYLXHP-VXGBXAGGSA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnn1C1CCOCC1 ZINC000617045333 400292434 /nfs/dbraw/zinc/29/24/34/400292434.db2.gz ZFQUZEIFMUPWJZ-ZBFHGGJFSA-N 0 0 317.433 3.099 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@@H](C)c2ccccn2)cc1 ZINC000617069797 400297697 /nfs/dbraw/zinc/29/76/97/400297697.db2.gz XDNRZEMRZVWEDY-OAHLLOKOSA-N 0 0 310.397 3.109 10 30 DGEERN CC(C)(C)OC(=O)N1CC(N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000409441553 400301695 /nfs/dbraw/zinc/30/16/95/400301695.db2.gz PQMKYHKMOIQEOC-CQSZACIVSA-N 0 0 321.808 3.114 10 30 DGEERN CCC1(CC)[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H](C)[C@@H]1OC ZINC000504411247 400306732 /nfs/dbraw/zinc/30/67/32/400306732.db2.gz NAJLQHJTHJZLFK-ZNMIVQPWSA-N 0 0 321.465 3.161 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000610790355 400307064 /nfs/dbraw/zinc/30/70/64/400307064.db2.gz DRVSXBGGCVHUFE-UKRRQHHQSA-N 0 0 322.355 3.266 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1nnc(CCC(C)C)s1 ZINC000617094834 400308241 /nfs/dbraw/zinc/30/82/41/400308241.db2.gz WZADFABUVLSCMI-HNNXBMFYSA-N 0 0 311.451 3.294 10 30 DGEERN C=C(C)Cn1nc(C(F)(F)F)c2c1CC[C@H](C(=O)OCC)C2 ZINC000601940791 400381694 /nfs/dbraw/zinc/38/16/94/400381694.db2.gz SCOQWMPSIRZMDT-JTQLQIEISA-N 0 0 316.323 3.146 10 30 DGEERN C=CCCC1(CNC(=O)CNC(=O)c2ccccc2)CCCC1 ZINC000617415337 400384198 /nfs/dbraw/zinc/38/41/98/400384198.db2.gz RGIUIMRALHEEMG-UHFFFAOYSA-N 0 0 314.429 3.059 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCN2C(=O)CCC)CCCC1 ZINC000617416470 400384384 /nfs/dbraw/zinc/38/43/84/400384384.db2.gz RRDINJXWBCLLNZ-INIZCTEOSA-N 0 0 320.477 3.420 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCc3nn(C)cc32)CCCC1 ZINC000617418237 400385126 /nfs/dbraw/zinc/38/51/26/400385126.db2.gz XFMNLXPZVORBFI-OAHLLOKOSA-N 0 0 315.461 3.483 10 30 DGEERN COc1ccc(-c2cc3ncccc3c(OCC#N)n2)cc1OC ZINC000114021995 400385508 /nfs/dbraw/zinc/38/55/08/400385508.db2.gz WYBAWGSGSJXRSG-UHFFFAOYSA-N 0 0 321.336 3.216 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3cncn3C2)CCCC1 ZINC000617417920 400385552 /nfs/dbraw/zinc/38/55/52/400385552.db2.gz LWZZXQUCYGKNBS-HNNXBMFYSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)Oc2cccnc2)CCCC1 ZINC000617417298 400385639 /nfs/dbraw/zinc/38/56/39/400385639.db2.gz TVSNJTOCVGUKIN-OAHLLOKOSA-N 0 0 302.418 3.492 10 30 DGEERN COC(=O)C(C#N)=N[N-]c1c(Cl)cc(Cl)cc1Cl ZINC000035575930 400388823 /nfs/dbraw/zinc/38/88/23/400388823.db2.gz FQOIMMYGAWAGGS-NVNXTCNLSA-N 0 0 306.536 3.111 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000578520073 400329555 /nfs/dbraw/zinc/32/95/55/400329555.db2.gz PAWSFOFOQZLGJE-UHFFFAOYSA-N 0 0 313.401 3.277 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000578622361 400330537 /nfs/dbraw/zinc/33/05/37/400330537.db2.gz MCKLSEDSGSNIDE-ZIAGYGMSSA-N 0 0 324.465 3.208 10 30 DGEERN C=CCSCCNC(=O)NCc1cc(F)c(Cl)cc1F ZINC000579073086 400334636 /nfs/dbraw/zinc/33/46/36/400334636.db2.gz NCHHPCMLLZCFMA-UHFFFAOYSA-N 0 0 320.792 3.337 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)cc2cccnc21 ZINC000579228528 400337114 /nfs/dbraw/zinc/33/71/14/400337114.db2.gz RHNKGYDBDKFPFV-WFASDCNBSA-N 0 0 316.788 3.209 10 30 DGEERN C[C@H](NCc1noc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000611389247 400391371 /nfs/dbraw/zinc/39/13/71/400391371.db2.gz YYXDXJZVAYIJDH-ZDUSSCGKSA-N 0 0 304.353 3.459 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2cnccc2c1 ZINC000579855566 400342914 /nfs/dbraw/zinc/34/29/14/400342914.db2.gz CQXHIRQKTOLCBK-UHFFFAOYSA-N 0 0 311.385 3.036 10 30 DGEERN C=C(C)C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)OC ZINC000601772828 400346886 /nfs/dbraw/zinc/34/68/86/400346886.db2.gz RHQFIVFFGURXOX-QGZVFWFLSA-N 0 0 311.381 3.006 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1cccc(C(=O)OC)c1C)OCC ZINC000611114553 400347002 /nfs/dbraw/zinc/34/70/02/400347002.db2.gz XLCJCFGMTOLLLY-OAHLLOKOSA-N 0 0 305.374 3.091 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@H](C)CCc1ccccc1F)C(=O)OC ZINC000601781825 400348084 /nfs/dbraw/zinc/34/80/84/400348084.db2.gz LJFROMKDMXRDPS-CZUORRHYSA-N 0 0 321.392 3.018 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000601781558 400348252 /nfs/dbraw/zinc/34/82/52/400348252.db2.gz JBIHECFRYJGVRX-FZMZJTMJSA-N 0 0 309.793 3.068 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000580934583 400348623 /nfs/dbraw/zinc/34/86/23/400348623.db2.gz XRGDMDXLDLUPHZ-HIFRSBDPSA-N 0 0 314.410 3.192 10 30 DGEERN Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)C3CC3)s2)o1 ZINC000108842325 400348611 /nfs/dbraw/zinc/34/86/11/400348611.db2.gz XNHSCDLFOJDPIX-NSHDSACASA-N 0 0 301.371 3.052 10 30 DGEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H](CC)C1 ZINC000580940606 400348757 /nfs/dbraw/zinc/34/87/57/400348757.db2.gz ZBLKMMZBLNJHEX-OAHLLOKOSA-N 0 0 311.433 3.461 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc21)C(=O)OC ZINC000601786542 400349286 /nfs/dbraw/zinc/34/92/86/400349286.db2.gz RKYATQRYJFKPPW-AWEZNQCLSA-N 0 0 320.776 3.059 10 30 DGEERN COc1cc(OC2CC2)ccc1C(=O)N1CCC(C)(C#N)CC1 ZINC000581166646 400351298 /nfs/dbraw/zinc/35/12/98/400351298.db2.gz QRMUBPIELHQHBR-UHFFFAOYSA-N 0 0 314.385 3.002 10 30 DGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4c(O)c(O)ccc4[C@@H]3CC[C@@]21C ZINC000110344474 400356183 /nfs/dbraw/zinc/35/61/83/400356183.db2.gz SYFHJXSYRPNSOI-ZLOUOWRTSA-N 0 0 312.409 3.318 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC(SC)CC1 ZINC000601854741 400364824 /nfs/dbraw/zinc/36/48/24/400364824.db2.gz MVGFGVNXRXGYPF-CYBMUJFWSA-N 0 0 324.519 3.364 10 30 DGEERN C#Cc1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1 ZINC000115372723 400396636 /nfs/dbraw/zinc/39/66/36/400396636.db2.gz FWQBFVVHAJUJPX-UHFFFAOYSA-N 0 0 301.353 3.469 10 30 DGEERN C=CCOCC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000617515743 400400604 /nfs/dbraw/zinc/40/06/04/400400604.db2.gz KZYJNLGWDZOBJG-QGZVFWFLSA-N 0 0 307.821 3.466 10 30 DGEERN C=CCSCCNC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000602089010 400411410 /nfs/dbraw/zinc/41/14/10/400411410.db2.gz VFCYTTZHCSQSQJ-UHFFFAOYSA-N 0 0 323.220 3.364 10 30 DGEERN C=CCOCCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000611557381 400421201 /nfs/dbraw/zinc/42/12/01/400421201.db2.gz PAEVHUDUNHEWEU-CYBMUJFWSA-N 0 0 319.430 3.262 10 30 DGEERN C=CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)[C@H](C)COC ZINC000617577170 400416077 /nfs/dbraw/zinc/41/60/77/400416077.db2.gz JNBYMQLMEALQPH-CQSZACIVSA-N 0 0 321.465 3.425 10 30 DGEERN C=CCN(C(=O)c1cccc(-c2cscn2)c1)[C@H](C)COC ZINC000617580328 400418358 /nfs/dbraw/zinc/41/83/58/400418358.db2.gz VIARRBBTAQZROZ-CYBMUJFWSA-N 0 0 316.426 3.473 10 30 DGEERN C=CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)[C@@H](C)COC ZINC000617580978 400418506 /nfs/dbraw/zinc/41/85/06/400418506.db2.gz IWTRGZDDGCVFDH-MAUKXSAKSA-N 0 0 317.429 3.244 10 30 DGEERN C=CCN(C(=O)c1ccc(F)c2ccncc12)[C@H](C)COC ZINC000617584349 400418866 /nfs/dbraw/zinc/41/88/66/400418866.db2.gz AACYYOCMRSWOEQ-GFCCVEGCSA-N 0 0 302.349 3.037 10 30 DGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1C2CCCC1CCC2 ZINC000611542810 400418858 /nfs/dbraw/zinc/41/88/58/400418858.db2.gz HGYWUIWAYILINJ-JRSKDTKFSA-N 0 0 320.433 3.182 10 30 DGEERN C=CCN(C(=O)CO[C@@H]1CCCc2ccccc21)[C@@H](C)COC ZINC000617582466 400419308 /nfs/dbraw/zinc/41/93/08/400419308.db2.gz OANVRTUFKOGTLT-MAUKXSAKSA-N 0 0 317.429 3.130 10 30 DGEERN C=CCN(C(=O)C[C@@H](c1ccc(O)cc1)C1CC1)[C@H](C)COC ZINC000617584995 400419709 /nfs/dbraw/zinc/41/97/09/400419709.db2.gz QDYSWBSTOKYDMC-RDTXWAMCSA-N 0 0 317.429 3.325 10 30 DGEERN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1sccc1C#N ZINC000611548750 400420256 /nfs/dbraw/zinc/42/02/56/400420256.db2.gz GFBLMZYRVXSWAU-SCZZXKLOSA-N 0 0 302.321 3.423 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)O1 ZINC000602342990 400443226 /nfs/dbraw/zinc/44/32/26/400443226.db2.gz OEZJLBNSVPWMBZ-VDDIYKPWSA-N 0 0 323.190 3.073 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000602344170 400443511 /nfs/dbraw/zinc/44/35/11/400443511.db2.gz FLERHNUAOHSIEC-AWEZNQCLSA-N 0 0 324.465 3.210 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1cscn1 ZINC000617823337 400458732 /nfs/dbraw/zinc/45/87/32/400458732.db2.gz DHVFTDYVBFPBHZ-LLVKDONJSA-N 0 0 318.398 3.208 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000617777222 400451107 /nfs/dbraw/zinc/45/11/07/400451107.db2.gz KNOFYTBUVJTQOD-VIFPVBQESA-N 0 0 315.236 3.334 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000617781886 400453338 /nfs/dbraw/zinc/45/33/38/400453338.db2.gz VFZAOMNORYDQRI-LBPRGKRZSA-N 0 0 315.339 3.264 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(CC(C)C)CCCC1 ZINC000612181403 400504201 /nfs/dbraw/zinc/50/42/01/400504201.db2.gz AJBMXWZNDLXDOY-INIZCTEOSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000122451907 400462025 /nfs/dbraw/zinc/46/20/25/400462025.db2.gz PXNSNIYJXYFFDU-UHFFFAOYSA-N 0 0 321.364 3.433 10 30 DGEERN C=CCN(Cc1cc(C(=O)OC)c(C)[nH]1)Cc1cccc(C#N)c1 ZINC000602454553 400466991 /nfs/dbraw/zinc/46/69/91/400466991.db2.gz NKYLEWGAGCVIOH-UHFFFAOYSA-N 0 0 323.396 3.170 10 30 DGEERN C=C(C)CN(CC)C(=O)C(=O)c1ccc(Br)cc1 ZINC000074428369 400511649 /nfs/dbraw/zinc/51/16/49/400511649.db2.gz VPMYQHFIPGCOSH-UHFFFAOYSA-N 0 0 310.191 3.056 10 30 DGEERN C=CCOc1ccc(CNCc2cn3cccc(C)c3n2)cc1 ZINC000123990087 400473738 /nfs/dbraw/zinc/47/37/38/400473738.db2.gz UYZJPOOTPRHYQI-UHFFFAOYSA-N 0 0 307.397 3.497 10 30 DGEERN CC(=O)N(C)c1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602490345 400478056 /nfs/dbraw/zinc/47/80/56/400478056.db2.gz SQPJHUWSZSDOEK-CQSZACIVSA-N 0 0 315.417 3.180 10 30 DGEERN CCOc1ccccc1CCC(=O)NCc1cccc(C#N)c1 ZINC000045214647 400515687 /nfs/dbraw/zinc/51/56/87/400515687.db2.gz HVFHCLXRYCEGQM-UHFFFAOYSA-N 0 0 308.381 3.206 10 30 DGEERN C=CCC[C@H](C(=O)NCCO[C@@H]1CC1(F)F)c1ccccc1 ZINC000618132863 400531546 /nfs/dbraw/zinc/53/15/46/400531546.db2.gz JWAFCKSDYWCXTM-LSDHHAIUSA-N 0 0 309.356 3.277 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000618137466 400532140 /nfs/dbraw/zinc/53/21/40/400532140.db2.gz WTBFVBGBVFXIMZ-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cccc(Oc3nccs3)c2)c1 ZINC000618137912 400532757 /nfs/dbraw/zinc/53/27/57/400532757.db2.gz DCXOPNQHYZBMCZ-UHFFFAOYSA-N 0 0 322.349 3.454 10 30 DGEERN C=CCC1(NC(=O)C/C=C\c2ccc(F)cc2)CCOCC1 ZINC000618247813 400550641 /nfs/dbraw/zinc/55/06/41/400550641.db2.gz LFDUHCAZGSBCMG-ARJAWSKDSA-N 0 0 303.377 3.471 10 30 DGEERN N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1 ZINC000143420745 400635445 /nfs/dbraw/zinc/63/54/45/400635445.db2.gz UORROSVNOAUAKQ-UHFFFAOYSA-N 0 0 312.336 3.141 10 30 DGEERN CCO[C@@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)[C@]12CCCO2 ZINC000612664324 400583173 /nfs/dbraw/zinc/58/31/73/400583173.db2.gz GOPXXAOMODIPCP-YQVWRLOYSA-N 0 0 323.396 3.245 10 30 DGEERN CCCN(CCC)C(=O)CSCc1ccc(OC)c(C#N)c1 ZINC000135330783 400585868 /nfs/dbraw/zinc/58/58/68/400585868.db2.gz LADBONCGURRKAQ-UHFFFAOYSA-N 0 0 320.458 3.449 10 30 DGEERN C=CCC[C@H](NC(=O)Cc1ccnc(OC)c1)c1ccccc1 ZINC000612708128 400590405 /nfs/dbraw/zinc/59/04/05/400590405.db2.gz IGYZVRLHDASSKP-KRWDZBQOSA-N 0 0 310.397 3.456 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCOc2ccccc2C)cc1 ZINC000137511468 400595451 /nfs/dbraw/zinc/59/54/51/400595451.db2.gz UTPYVJGOYHWMLF-UHFFFAOYSA-N 0 0 306.383 3.088 10 30 DGEERN C=CCOCCCNC(=O)Cc1coc2c1ccc(C)c2C ZINC000618517462 400609321 /nfs/dbraw/zinc/60/93/21/400609321.db2.gz KZYNYBCEWVXNND-UHFFFAOYSA-N 0 0 301.386 3.301 10 30 DGEERN C=CCOCCCNC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000618523781 400611069 /nfs/dbraw/zinc/61/10/69/400611069.db2.gz PTDNRXRAWRITSF-UHFFFAOYSA-N 0 0 321.446 3.081 10 30 DGEERN C=CCOCCCNC(=O)c1cnn(C2CCCCC2)c1C ZINC000618525540 400611615 /nfs/dbraw/zinc/61/16/15/400611615.db2.gz DWWOVJUNPGKPDS-UHFFFAOYSA-N 0 0 305.422 3.019 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000603156947 400650861 /nfs/dbraw/zinc/65/08/61/400650861.db2.gz NOTJUNUDQDXKDU-LJQANCHMSA-N 0 0 323.440 3.364 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000076489676 400657362 /nfs/dbraw/zinc/65/73/62/400657362.db2.gz VBVBPSJJTDWTJI-WBVHZDCISA-N 0 0 316.445 3.256 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2ccc(OC)cc2)CCOCC1 ZINC000076487690 400657772 /nfs/dbraw/zinc/65/77/72/400657772.db2.gz WLYUYHZGJJBCJX-UHFFFAOYSA-N 0 0 317.429 3.168 10 30 DGEERN Cc1nc(C#N)n(Cc2ccc(C)c(Br)c2)c1C ZINC000603347425 400672675 /nfs/dbraw/zinc/67/26/75/400672675.db2.gz BWWARUIWDDMLTK-UHFFFAOYSA-N 0 0 304.191 3.491 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2cccc(CC#N)c2)cc1F ZINC000049603505 400669662 /nfs/dbraw/zinc/66/96/62/400669662.db2.gz XEDBBICNUIDATK-LBPRGKRZSA-N 0 0 312.344 3.391 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000076944756 400681613 /nfs/dbraw/zinc/68/16/13/400681613.db2.gz OJHFZXJJCGTMKP-MRXNPFEDSA-N 0 0 312.417 3.117 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCOC[C@H]1c1cccc(F)c1)OCC ZINC000618769313 400685376 /nfs/dbraw/zinc/68/53/76/400685376.db2.gz GNQGYEZBKMBODF-IRXDYDNUSA-N 0 0 321.392 3.097 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(SC)ccc1C ZINC000613267687 400685739 /nfs/dbraw/zinc/68/57/39/400685739.db2.gz XSYLCYRYEGUYOG-HNNXBMFYSA-N 0 0 306.431 3.126 10 30 DGEERN CC[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1nccs1 ZINC000159242281 400728934 /nfs/dbraw/zinc/72/89/34/400728934.db2.gz UTODSPOSKPBTJP-CYBMUJFWSA-N 0 0 318.377 3.104 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077699730 400742027 /nfs/dbraw/zinc/74/20/27/400742027.db2.gz IAISJMURVVIRPV-RHSMWYFYSA-N 0 0 318.417 3.314 10 30 DGEERN C=C(C)CN(C)C(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000613304821 400693844 /nfs/dbraw/zinc/69/38/44/400693844.db2.gz JPMISYUEADCAFT-MRXNPFEDSA-N 0 0 322.408 3.241 10 30 DGEERN C[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618821184 400695031 /nfs/dbraw/zinc/69/50/31/400695031.db2.gz KJBKJQBTSAPMQX-FZKQIMNGSA-N 0 0 320.396 3.043 10 30 DGEERN C=CCSc1ccccc1C(=O)NCC(O)(C1CC1)C1CC1 ZINC000619031712 400752860 /nfs/dbraw/zinc/75/28/60/400752860.db2.gz ZNKAYRNELSLAOI-UHFFFAOYSA-N 0 0 317.454 3.246 10 30 DGEERN C=CCC[C@H](C(=O)NC[C@H](CC)C(=O)OC)c1ccccc1 ZINC000592853457 400709931 /nfs/dbraw/zinc/70/99/31/400709931.db2.gz KOQZBVNLLAURQT-HOCLYGCPSA-N 0 0 303.402 3.052 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000618894046 400711540 /nfs/dbraw/zinc/71/15/40/400711540.db2.gz BOZFKBAVGQUHNW-IBGZPJMESA-N 0 0 301.430 3.225 10 30 DGEERN CC(C)(C)c1ccc(C#N)c(N2CCC(c3ncc[nH]3)CC2)n1 ZINC000613417308 400713530 /nfs/dbraw/zinc/71/35/30/400713530.db2.gz NLWAJINBVXNTHN-UHFFFAOYSA-N 0 0 309.417 3.358 10 30 DGEERN Cc1cc(F)cc2c1ncc(C#N)c2NCCCCn1cnnc1 ZINC000078510545 400805943 /nfs/dbraw/zinc/80/59/43/400805943.db2.gz GQWBAPLTXUNJCM-UHFFFAOYSA-N 0 0 324.363 3.038 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)c(F)c1 ZINC000172185217 400815722 /nfs/dbraw/zinc/81/57/22/400815722.db2.gz XLHOFRSSVTWZHP-OAHLLOKOSA-N 0 0 313.332 3.337 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C/C(C)=C\c1ccccc1 ZINC000613977798 400821902 /nfs/dbraw/zinc/82/19/02/400821902.db2.gz LJBJMHZAXBNEQT-NZHZHZHDSA-N 0 0 314.429 3.019 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc([C@H](C)OC)c1 ZINC000171088633 400784793 /nfs/dbraw/zinc/78/47/93/400784793.db2.gz SKKBUUWXTIJOFS-CABCVRRESA-N 0 0 302.418 3.395 10 30 DGEERN C=CCN(Cc1nnc(C(C)C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000171146331 400787445 /nfs/dbraw/zinc/78/74/45/400787445.db2.gz XMNCWALLTAXQGH-UHFFFAOYSA-N 0 0 316.361 3.289 10 30 DGEERN Cc1oc2ncnc(NC(=O)c3cccc(CC#N)c3)c2c1C ZINC000172325737 400820031 /nfs/dbraw/zinc/82/00/31/400820031.db2.gz SJYJFCPELRFXLO-UHFFFAOYSA-N 0 0 306.325 3.158 10 30 DGEERN C=C[C@@H](CC(=O)NCCc1c(C)nn(C)c1C)c1ccccc1 ZINC000179505995 400878338 /nfs/dbraw/zinc/87/83/38/400878338.db2.gz WWEAJTZVKVTQCF-INIZCTEOSA-N 0 0 311.429 3.056 10 30 DGEERN Cc1ccc(Cl)c(OCC(=O)NCC2CCC(C#N)CC2)c1 ZINC000619660326 400880301 /nfs/dbraw/zinc/88/03/01/400880301.db2.gz ZTGOLPRITOMXST-UHFFFAOYSA-N 0 0 320.820 3.473 10 30 DGEERN C[C@@H](n1ccc2c1ccc(C#N)c2C(F)(F)F)S(C)(=O)=O ZINC000605822821 400884127 /nfs/dbraw/zinc/88/41/27/400884127.db2.gz NSHZYYXEDJTNEN-QMMMGPOBSA-N 0 0 316.304 3.095 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCCCc1nc(C(C)C)no1 ZINC000180656982 400885535 /nfs/dbraw/zinc/88/55/35/400885535.db2.gz CJYZQUOOHZQSDN-ZDUSSCGKSA-N 0 0 308.426 3.170 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000614117851 400840420 /nfs/dbraw/zinc/84/04/20/400840420.db2.gz WFOXCEMXJDQHOH-IAGOWNOFSA-N 0 0 314.429 3.244 10 30 DGEERN CN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCC(C)(C)C1 ZINC000619427042 400844880 /nfs/dbraw/zinc/84/48/80/400844880.db2.gz QUTNIGVTKVVDAL-CQSZACIVSA-N 0 0 303.381 3.417 10 30 DGEERN C=CCCCNC(=O)c1c(OC)cccc1OC(F)(F)F ZINC000614211043 400854061 /nfs/dbraw/zinc/85/40/61/400854061.db2.gz YCTXEOIXJDRJBI-UHFFFAOYSA-N 0 0 303.280 3.290 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ncc(-c3ccccc3)cn2)c1 ZINC000619523381 400860725 /nfs/dbraw/zinc/86/07/25/400860725.db2.gz BNLFKHZAXWLTQP-UHFFFAOYSA-N 0 0 314.348 3.196 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2c(O)cccc2F)cc1OC ZINC000605439466 400862455 /nfs/dbraw/zinc/86/24/55/400862455.db2.gz WYFKWPFPVRTPPO-UHFFFAOYSA-N 0 0 317.316 3.357 10 30 DGEERN C=CCSCCNC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000594016265 400948789 /nfs/dbraw/zinc/94/87/89/400948789.db2.gz LIUUQXFCBZOQPY-AWEZNQCLSA-N 0 0 311.834 3.337 10 30 DGEERN C=C(C)COCCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182103415 400890796 /nfs/dbraw/zinc/89/07/96/400890796.db2.gz WOKSDMUXUDABLJ-UHFFFAOYSA-N 0 0 307.356 3.454 10 30 DGEERN Cc1ccccc1[C@]1(F)CCN(c2nnc(C)c(C)c2C#N)C1 ZINC000619704555 400892449 /nfs/dbraw/zinc/89/24/49/400892449.db2.gz JGQKVMDRCWMYJI-SFHVURJKSA-N 0 0 310.376 3.349 10 30 DGEERN C=CCC[C@H](O)CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182593656 400894355 /nfs/dbraw/zinc/89/43/55/400894355.db2.gz PTWWTMCBFDVVFU-TVQRCGJNSA-N 0 0 309.278 3.485 10 30 DGEERN C=CCC[C@@H](O)CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182593677 400894671 /nfs/dbraw/zinc/89/46/71/400894671.db2.gz PTWWTMCBFDVVFU-NOZJJQNGSA-N 0 0 309.278 3.485 10 30 DGEERN COCc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182899634 400898691 /nfs/dbraw/zinc/89/86/91/400898691.db2.gz VDFKPDQOHYPVTH-UHFFFAOYSA-N 0 0 320.392 3.318 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000614424851 400899137 /nfs/dbraw/zinc/89/91/37/400899137.db2.gz NCBJETCVZHMVNR-INIZCTEOSA-N 0 0 304.365 3.113 10 30 DGEERN C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccsc1 ZINC000619757702 400899867 /nfs/dbraw/zinc/89/98/67/400899867.db2.gz HNFRMPQYEAFQDW-ZBEGNZNMSA-N 0 0 322.430 3.187 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2ccc3nnn(C)c3c2)c1 ZINC000183695041 400901198 /nfs/dbraw/zinc/90/11/98/400901198.db2.gz PIFKGDMGFNGPAK-UHFFFAOYSA-N 0 0 322.368 3.176 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccncc1CC ZINC000183376482 400901287 /nfs/dbraw/zinc/90/12/87/400901287.db2.gz KCDROPHGBBEFAO-UHFFFAOYSA-N 0 0 305.381 3.344 10 30 DGEERN C=CCSCCNC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000194507881 400920538 /nfs/dbraw/zinc/92/05/38/400920538.db2.gz ARBOBVRJFWYPOJ-UHFFFAOYSA-N 0 0 305.443 3.247 10 30 DGEERN C=CCCn1cc(C[S@@](=O)Cc2c(C)cc(C)cc2C)nn1 ZINC000593935793 400922456 /nfs/dbraw/zinc/92/24/56/400922456.db2.gz JKRFHLXXKKGSTJ-JOCHJYFZSA-N 0 0 317.458 3.228 10 30 DGEERN C=CCOCCCC(=O)Nc1nc(-c2ccsc2)ns1 ZINC000080174719 400929977 /nfs/dbraw/zinc/92/99/77/400929977.db2.gz IXLPXEQKUUQCAQ-UHFFFAOYSA-N 0 0 309.416 3.188 10 30 DGEERN C=CCCn1cc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)nn1 ZINC000593971248 400930946 /nfs/dbraw/zinc/93/09/46/400930946.db2.gz VYZYWHXKBNBYSN-INIZCTEOSA-N 0 0 315.377 3.003 10 30 DGEERN N#CCc1ccc(I)cc1Br ZINC000238055635 400997760 /nfs/dbraw/zinc/99/77/60/400997760.db2.gz MMDPFLQVCQNOAA-UHFFFAOYSA-N 0 0 321.943 3.120 10 30 DGEERN C=CCCC(C)(C)NC(=O)c1cc[nH]c(=O)c1Br ZINC000620857415 400998365 /nfs/dbraw/zinc/99/83/65/400998365.db2.gz ZYDZHOWVQSZVFH-UHFFFAOYSA-N 0 0 313.195 3.024 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000080942318 401002844 /nfs/dbraw/zinc/00/28/44/401002844.db2.gz XLXBYSOFMYPXMM-UHFFFAOYSA-N 0 0 323.352 3.191 10 30 DGEERN C=CCn1c(N2Cc3cccc(OC)c3C2)nnc1C(C)(C)C ZINC000624816048 400957350 /nfs/dbraw/zinc/95/73/50/400957350.db2.gz QUTPLQYKELNVTF-UHFFFAOYSA-N 0 0 312.417 3.290 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC000624823058 400959752 /nfs/dbraw/zinc/95/97/52/400959752.db2.gz NLVQJWCBCSGXIF-IJVDHGTGSA-N 0 0 304.438 3.183 10 30 DGEERN C=CCn1c([C@H]2CCCO2)nnc1N1CCCC2(CC2)CC1 ZINC000624828721 400962602 /nfs/dbraw/zinc/96/26/02/400962602.db2.gz LYXZWULWPJBXPL-CQSZACIVSA-N 0 0 302.422 3.086 10 30 DGEERN N#Cc1cc(CNc2c(F)cccc2Br)ccn1 ZINC000227751803 400963560 /nfs/dbraw/zinc/96/35/60/400963560.db2.gz UFHXXEBWOFZKSW-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCc2cc(C)c(C)cc21 ZINC000624847619 400968871 /nfs/dbraw/zinc/96/88/71/400968871.db2.gz RFYBLOBFEXEYJL-UHFFFAOYSA-N 0 0 320.400 3.165 10 30 DGEERN C=C(CC)CNC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594189290 401018027 /nfs/dbraw/zinc/01/80/27/401018027.db2.gz OEESDGUVGMAUHT-UHFFFAOYSA-N 0 0 305.378 3.125 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000621033260 401048191 /nfs/dbraw/zinc/04/81/91/401048191.db2.gz IRNCMXBOTKMERJ-GOEBONIOSA-N 0 0 302.418 3.004 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc(=O)c2ccccc2c1C ZINC000620301078 401049274 /nfs/dbraw/zinc/04/92/74/401049274.db2.gz GWFQYVLLUUJOMO-OKILXGFUSA-N 0 0 309.365 3.425 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC000615286496 401049417 /nfs/dbraw/zinc/04/94/17/401049417.db2.gz QHIZSVRBHUJAKA-UHFFFAOYSA-N 0 0 313.401 3.409 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000620302309 401050535 /nfs/dbraw/zinc/05/05/35/401050535.db2.gz YHCDZAFRDALGLF-XYPHTWIQSA-N 0 0 303.377 3.440 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(COCC)nc1C ZINC000620302329 401050731 /nfs/dbraw/zinc/05/07/31/401050731.db2.gz YUDYVMXRJXGXMC-BETUJISGSA-N 0 0 306.431 3.311 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)C1 ZINC000633668385 401050942 /nfs/dbraw/zinc/05/09/42/401050942.db2.gz 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C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000620314749 401055334 /nfs/dbraw/zinc/05/53/34/401055334.db2.gz PFDQWWZQMZCLJI-IYBDPMFKSA-N 0 0 310.397 3.285 10 30 DGEERN C=CCCOCC(=O)N(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000620328507 401058062 /nfs/dbraw/zinc/05/80/62/401058062.db2.gz WAPKIZPNWRPAAD-KRWDZBQOSA-N 0 0 303.402 3.124 10 30 DGEERN C=CCCn1cc(CSCc2ccc(C(=O)OC)cc2)nn1 ZINC000594456352 401074508 /nfs/dbraw/zinc/07/45/08/401074508.db2.gz MPWIJIFDIKJMGA-UHFFFAOYSA-N 0 0 317.414 3.074 10 30 DGEERN C=CCCOCCCCC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000621126265 401085345 /nfs/dbraw/zinc/08/53/45/401085345.db2.gz WMIMLHYZLSTQNI-XJKSGUPXSA-N 0 0 319.392 3.021 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594473109 401076217 /nfs/dbraw/zinc/07/62/17/401076217.db2.gz QZGBACVCQGICHR-ZDUSSCGKSA-N 0 0 307.401 3.369 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2n1C ZINC000633605416 401021614 /nfs/dbraw/zinc/02/16/14/401021614.db2.gz QTBCKCKHCVNAJS-GDBMZVCRSA-N 0 0 324.424 3.403 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000594225773 401027887 /nfs/dbraw/zinc/02/78/87/401027887.db2.gz BGVDHEHBTOXYMW-LLVKDONJSA-N 0 0 306.422 3.419 10 30 DGEERN CC#CCCCC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000633744882 401082585 /nfs/dbraw/zinc/08/25/85/401082585.db2.gz GUIBIVGPGPXJRU-HNNXBMFYSA-N 0 0 311.784 3.212 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](c3ccccn3)C2)CCOCC1 ZINC000615246605 401040606 /nfs/dbraw/zinc/04/06/06/401040606.db2.gz ANBSSKKYQUCHLD-INIZCTEOSA-N 0 0 314.429 3.161 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000615260263 401045595 /nfs/dbraw/zinc/04/55/95/401045595.db2.gz SOALVDPCPWZVHO-CRAIPNDOSA-N 0 0 302.418 3.016 10 30 DGEERN C=CC(C)(C)CCNS(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000625328069 401101839 /nfs/dbraw/zinc/10/18/39/401101839.db2.gz OOOGTVYIOALYRN-UHFFFAOYSA-N 0 0 309.431 3.160 10 30 DGEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000625353157 401107926 /nfs/dbraw/zinc/10/79/26/401107926.db2.gz 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C=CC[C@H]1CCN(C(=O)N[C@@H](C)Cc2cccc(OC)c2)C1 ZINC000623606973 401555544 /nfs/dbraw/zinc/55/55/44/401555544.db2.gz RGFKIMRNFBPZKC-GJZGRUSLSA-N 0 0 302.418 3.234 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccc(OC)c(OCC)c1 ZINC000623612889 401556573 /nfs/dbraw/zinc/55/65/73/401556573.db2.gz PUBOSDYGVWZQIP-UHFFFAOYSA-N 0 0 320.433 3.495 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3F)C2)C1 ZINC000624105368 401626342 /nfs/dbraw/zinc/62/63/42/401626342.db2.gz METBFQBZGXZBPC-GJZGRUSLSA-N 0 0 317.408 3.012 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cc(NC(=O)N(C)C)ccc2C)C1 ZINC000632841569 401630881 /nfs/dbraw/zinc/63/08/81/401630881.db2.gz FDIUWAQUERZAQO-UHFFFAOYSA-N 0 0 301.390 3.383 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CSc3ccccc32)C1 ZINC000624136209 401631178 /nfs/dbraw/zinc/63/11/78/401631178.db2.gz AIEAZSIZXDSUGQ-ZIAGYGMSSA-N 0 0 302.443 3.484 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1c(F)cncc1Br ZINC000632847856 401631502 /nfs/dbraw/zinc/63/15/02/401631502.db2.gz ALHWECQBYWPBEZ-MRVPVSSYSA-N 0 0 301.159 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/nfs/dbraw/zinc/60/57/90/401605790.db2.gz ROHHLMIHNSQRMG-HNNXBMFYSA-N 0 0 315.413 3.473 10 30 DGEERN C=CC[C@H]1CCN(C(=O)COCc2nc3ccccc3s2)C1 ZINC000628483660 401606373 /nfs/dbraw/zinc/60/63/73/401606373.db2.gz SSGZAPSVTMFXBB-ZDUSSCGKSA-N 0 0 316.426 3.238 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000628485372 401606413 /nfs/dbraw/zinc/60/64/13/401606413.db2.gz JLLRMBGPJJUMNU-SFHVURJKSA-N 0 0 323.440 3.456 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000628486214 401606913 /nfs/dbraw/zinc/60/69/13/401606913.db2.gz DEVVMLOVHAFDGS-LSDHHAIUSA-N 0 0 301.386 3.081 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000628488323 401607060 /nfs/dbraw/zinc/60/70/60/401607060.db2.gz WTBQJOFIHLOGHP-JTQLQIEISA-N 0 0 314.248 3.478 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(N(C)C)nc3ccccc32)C1 ZINC000628489725 401607385 /nfs/dbraw/zinc/60/73/85/401607385.db2.gz FLBLBBSDCYVVKN-AWEZNQCLSA-N 0 0 309.413 3.339 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)C1 ZINC000628493187 401607459 /nfs/dbraw/zinc/60/74/59/401607459.db2.gz KZGGZLZTDIKOIO-ZDUSSCGKSA-N 0 0 315.417 3.104 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2cscc2Br)C1 ZINC000628492016 401607790 /nfs/dbraw/zinc/60/77/90/401607790.db2.gz MJTZJBQNLIDAOV-JTQLQIEISA-N 0 0 314.248 3.478 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2N)C1 ZINC000628491961 401607846 /nfs/dbraw/zinc/60/78/46/401607846.db2.gz LHNDNHWFZSTLJW-AWEZNQCLSA-N 0 0 307.397 3.369 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)C(F)(F)CC ZINC000623985774 401609382 /nfs/dbraw/zinc/60/93/82/401609382.db2.gz BQXZIHJWXXLSLR-OLZOCXBDSA-N 0 0 318.408 3.338 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@H]1CCC1(F)F ZINC000632544885 401613437 /nfs/dbraw/zinc/61/34/37/401613437.db2.gz PCQHRPVDRNGBAP-UPJWGTAASA-N 0 0 307.406 3.086 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632572381 401615360 /nfs/dbraw/zinc/61/53/60/401615360.db2.gz VEPWYVAPOFAVJN-AOOOYVTPSA-N 0 0 303.330 3.089 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1nccn1CC(C)C ZINC000633051720 401647414 /nfs/dbraw/zinc/64/74/14/401647414.db2.gz BGAQRBRUXQSHJT-UHFFFAOYSA-N 0 0 306.454 3.331 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCC2(c3cccc(OC)c3)CC2)C1 ZINC000624078695 401622869 /nfs/dbraw/zinc/62/28/69/401622869.db2.gz QSYDYEBDEHORBR-HNNXBMFYSA-N 0 0 314.429 3.334 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCO[C@H](CCF)C1 ZINC000629015406 401656863 /nfs/dbraw/zinc/65/68/63/401656863.db2.gz SFQYDRDTZUMRHD-CYBMUJFWSA-N 0 0 309.406 3.165 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000633208147 401660694 /nfs/dbraw/zinc/66/06/94/401660694.db2.gz VYVAEGZMDDCMQY-VNQPRFMTSA-N 0 0 318.417 3.353 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000633208146 401660741 /nfs/dbraw/zinc/66/07/41/401660741.db2.gz VYVAEGZMDDCMQY-KBMXLJTQSA-N 0 0 318.417 3.353 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000633210908 401661019 /nfs/dbraw/zinc/66/10/19/401661019.db2.gz 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/nfs/dbraw/zinc/66/96/99/401669699.db2.gz FAQCIFRNWPTIRF-CQSZACIVSA-N 0 0 302.422 3.154 10 30 DGEERN CCO[C@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C12CCCC2 ZINC000365018297 286478521 /nfs/dbraw/zinc/47/85/21/286478521.db2.gz VXWROMNXEULQQN-CABCVRRESA-N 0 0 319.449 3.059 10 30 DGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000408172442 165947728 /nfs/dbraw/zinc/94/77/28/165947728.db2.gz WINYIVWEDFJQIG-SUMWQHHRSA-N 0 0 318.442 3.068 10 30 DGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000408171593 165947729 /nfs/dbraw/zinc/94/77/29/165947729.db2.gz LHLPUMGSCFMNLX-GUYCJALGSA-N 0 0 318.442 3.068 10 30 DGEERN C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H](C)O1 ZINC000408328230 165953847 /nfs/dbraw/zinc/95/38/47/165953847.db2.gz INUSCDIOPKZJEX-ZIAGYGMSSA-N 0 0 324.428 3.098 10 30 DGEERN Cc1cc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1C#N ZINC000408436447 165958236 /nfs/dbraw/zinc/95/82/36/165958236.db2.gz CRUGIVXTRZEYPK-GUYCJALGSA-N 0 0 318.442 3.068 10 30 DGEERN N#Cc1cc(NC(=O)N[C@@H]2CCOc3ccccc32)ccc1F ZINC000171085300 164620158 /nfs/dbraw/zinc/62/01/58/164620158.db2.gz GNXIERDDMBTUON-OAHLLOKOSA-N 0 0 311.316 3.343 10 30 DGEERN CC(C)c1nnc2n1C[C@H](Nc1ccc(Cl)cc1C#N)CC2 ZINC000171563131 164631160 /nfs/dbraw/zinc/63/11/60/164631160.db2.gz UNWLNSPDPYHJRA-CYBMUJFWSA-N 0 0 315.808 3.353 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000173411663 164695042 /nfs/dbraw/zinc/69/50/42/164695042.db2.gz BCMAOFHYQUULOM-OAHLLOKOSA-N 0 0 311.410 3.343 10 30 DGEERN COc1ccc(OCc2ccc(C#N)cc2OC)cc1C(C)=O ZINC000180708414 164892819 /nfs/dbraw/zinc/89/28/19/164892819.db2.gz UQEYNTKDPWPGES-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN Cc1ccc(C)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183646304 164956858 /nfs/dbraw/zinc/95/68/58/164956858.db2.gz FWCWSQYKMNVERY-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN N#Cc1cccnc1-n1cc(NC/C=C/c2ccc(F)cc2)cn1 ZINC000185838667 165018117 /nfs/dbraw/zinc/01/81/17/165018117.db2.gz MFFBSZMXJPMMCS-HNQUOIGGSA-N 0 0 319.343 3.403 10 30 DGEERN Cc1nc(C)c([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000186021124 165025660 /nfs/dbraw/zinc/02/56/60/165025660.db2.gz SSIYNIUAPZXNJN-NSHDSACASA-N 0 0 324.413 3.385 10 30 DGEERN N#Cc1c(F)cccc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000186089817 165026348 /nfs/dbraw/zinc/02/63/48/165026348.db2.gz LTBWREHLBLHVQE-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186970214 165069500 /nfs/dbraw/zinc/06/95/00/165069500.db2.gz SZLXUBMRQBMTPL-HXUWFJFHSA-N 0 0 318.376 3.138 10 30 DGEERN N#Cc1ccccc1Cn1cccc1CN1CCOCC12CCC2 ZINC000187319132 165085792 /nfs/dbraw/zinc/08/57/92/165085792.db2.gz RRKOTZTWLCZTRQ-UHFFFAOYSA-N 0 0 321.424 3.163 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000187596060 165097386 /nfs/dbraw/zinc/09/73/86/165097386.db2.gz OGWVMQLINJSESU-UHFFFAOYSA-N 0 0 302.337 3.105 10 30 DGEERN COc1ccc(F)c(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188349887 165120388 /nfs/dbraw/zinc/12/03/88/165120388.db2.gz VADYNCFXWUNSOH-UHFFFAOYSA-N 0 0 310.328 3.376 10 30 DGEERN COc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1F ZINC000189419110 165161052 /nfs/dbraw/zinc/16/10/52/165161052.db2.gz MXMWKTGZVRZHAQ-NSHDSACASA-N 0 0 314.316 3.112 10 30 DGEERN COc1ccc(OCc2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000190182742 165191868 /nfs/dbraw/zinc/19/18/68/165191868.db2.gz MSQYLLGNRLYOAO-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN Cc1cc(S(C)(=O)=O)ccc1NCc1ccc(C#N)c(F)c1 ZINC000190374966 165200420 /nfs/dbraw/zinc/20/04/20/165200420.db2.gz VOSJKJOCCUQXQT-UHFFFAOYSA-N 0 0 318.373 3.021 10 30 DGEERN CN(C)C(=O)c1cc(F)ccc1NCc1ccc(C#N)c(F)c1 ZINC000190400999 165201747 /nfs/dbraw/zinc/20/17/47/165201747.db2.gz YMCYQMLFOSOLSE-UHFFFAOYSA-N 0 0 315.323 3.150 10 30 DGEERN COCCn1c(C)c(C)nc1SCc1ccc(C#N)c(F)c1 ZINC000191007850 165225357 /nfs/dbraw/zinc/22/53/57/165225357.db2.gz PWEDEFDXWSICLR-UHFFFAOYSA-N 0 0 319.405 3.449 10 30 DGEERN CCCOc1nc(C)ccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000191181676 165235580 /nfs/dbraw/zinc/23/55/80/165235580.db2.gz NYKLALREYQEHAI-UHFFFAOYSA-N 0 0 313.332 3.442 10 30 DGEERN CCCC1(CCC)NC(=O)N(Cc2ccc(C#N)c(F)c2)C1=O ZINC000191399091 165248333 /nfs/dbraw/zinc/24/83/33/165248333.db2.gz JNEUDFONLWTFQL-UHFFFAOYSA-N 0 0 317.364 3.088 10 30 DGEERN N#Cc1c[nH]c(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000191490236 165255954 /nfs/dbraw/zinc/25/59/54/165255954.db2.gz FJBYKDWDGQEXKC-LBPRGKRZSA-N 0 0 315.323 3.184 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3ccc(C#N)c(F)c3)CCO2)n1 ZINC000191977133 165277165 /nfs/dbraw/zinc/27/71/65/165277165.db2.gz HZEZZLXKGJLFIZ-HNNXBMFYSA-N 0 0 317.389 3.036 10 30 DGEERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000192470243 165292866 /nfs/dbraw/zinc/29/28/66/165292866.db2.gz ZIFPJIHIXHSFLV-JTQLQIEISA-N 0 0 301.296 3.065 10 30 DGEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)c2cccnc2c1C ZINC000193383970 165324069 /nfs/dbraw/zinc/32/40/69/165324069.db2.gz QPAORXKRSONGMM-UHFFFAOYSA-N 0 0 302.337 3.371 10 30 DGEERN COc1ccc(N(C(=O)c2ccnc(C#N)c2)C(C)C)cc1F ZINC000193520368 165326541 /nfs/dbraw/zinc/32/65/41/165326541.db2.gz NKJNVQFEVDCNKU-UHFFFAOYSA-N 0 0 313.332 3.156 10 30 DGEERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193518680 165327219 /nfs/dbraw/zinc/32/72/19/165327219.db2.gz JOGVZZMLNRYRLT-AWEZNQCLSA-N 0 0 323.396 3.479 10 30 DGEERN CCNc1ccc(Cl)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193777432 165330354 /nfs/dbraw/zinc/33/03/54/165330354.db2.gz HUEADYXHKJFCQZ-UHFFFAOYSA-N 0 0 300.749 3.291 10 30 DGEERN N#Cc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)ccn1 ZINC000193814845 165333216 /nfs/dbraw/zinc/33/32/16/165333216.db2.gz JYBKRGQADMQTRJ-UHFFFAOYSA-N 0 0 317.270 3.175 10 30 DGEERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccnc(C#N)c1 ZINC000194213722 165341769 /nfs/dbraw/zinc/34/17/69/165341769.db2.gz BHRQTOYSWXZRIS-UHFFFAOYSA-N 0 0 304.353 3.097 10 30 DGEERN N#Cc1cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)ccn1 ZINC000194351738 165342730 /nfs/dbraw/zinc/34/27/30/165342730.db2.gz DLUGKSWGUOFWPJ-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2OC[C@H]1C ZINC000175347583 287121441 /nfs/dbraw/zinc/12/14/41/287121441.db2.gz CJRZIMZUGZXFOK-ZIAGYGMSSA-N 0 0 322.364 3.140 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000128851565 195998496 /nfs/dbraw/zinc/99/84/96/195998496.db2.gz UFPHGVNQMRTXGO-GOSISDBHSA-N 0 0 307.397 3.431 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCOC1 ZINC000171618062 432152077 /nfs/dbraw/zinc/15/20/77/432152077.db2.gz XTSFYXDQAOUOHO-NSHDSACASA-N 0 0 314.838 3.278 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)Cc1cc(C)on1)c1ccccc1 ZINC000269363469 432166844 /nfs/dbraw/zinc/16/68/44/432166844.db2.gz PWNJSHCVPUNRJG-MRXNPFEDSA-N 0 0 320.414 3.110 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCCC2)nn1-c1cc(C)cc(C)c1 ZINC000182510900 432197922 /nfs/dbraw/zinc/19/79/22/432197922.db2.gz JZVPTQTVIBCRIF-UHFFFAOYSA-N 0 0 322.412 3.364 10 30 DGEERN CC(C)Oc1ccc(NC(=O)[C@H](C)c2cccnc2)cc1C#N ZINC000130782800 196109408 /nfs/dbraw/zinc/10/94/08/196109408.db2.gz ZTZJZEVGEWTFLZ-CYBMUJFWSA-N 0 0 309.369 3.483 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)NCCCCC#N)C12CCCC2 ZINC000172621745 432226199 /nfs/dbraw/zinc/22/61/99/432226199.db2.gz FOXYSPWXEBRMLG-CABCVRRESA-N 0 0 307.438 3.059 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000191130973 432224498 /nfs/dbraw/zinc/22/44/98/432224498.db2.gz RPRUCVYIUTUJAL-LPHOPBHVSA-N 0 0 317.429 3.127 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 ZINC000134151994 196366009 /nfs/dbraw/zinc/36/60/09/196366009.db2.gz FJODGZPLBYDJBJ-IUODEOHRSA-N 0 0 314.410 3.170 10 30 DGEERN COc1cc(NC(=O)c2ccc(C#N)cc2C)ccc1NC(C)=O ZINC000161854658 228254230 /nfs/dbraw/zinc/25/42/30/228254230.db2.gz OZYPYLDJWNGNTQ-UHFFFAOYSA-N 0 0 323.352 3.086 10 30 DGEERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000173213299 228279062 /nfs/dbraw/zinc/27/90/62/228279062.db2.gz HJWGYVOLUKIWRH-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN N#CCc1cccc(C(=O)NCCc2cc(F)ccc2F)c1 ZINC000177107781 228324751 /nfs/dbraw/zinc/32/47/51/228324751.db2.gz YPPIPACDUNLJSI-UHFFFAOYSA-N 0 0 300.308 3.003 10 30 DGEERN N#Cc1ccsc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000183886927 228377360 /nfs/dbraw/zinc/37/73/60/228377360.db2.gz CFYPOXDTQGYBFJ-UHFFFAOYSA-N 0 0 320.377 3.007 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178598002 228343513 /nfs/dbraw/zinc/34/35/13/228343513.db2.gz VHAMVQUDPOXGMD-GFCCVEGCSA-N 0 0 309.325 3.266 10 30 DGEERN C[C@]1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCCS1 ZINC000181556426 228363425 /nfs/dbraw/zinc/36/34/25/228363425.db2.gz DFCZWMVSBDHYCS-MRXNPFEDSA-N 0 0 300.427 3.257 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1CN(CCC#N)Cc1cccnc1 ZINC000183228188 228371365 /nfs/dbraw/zinc/37/13/65/228371365.db2.gz XKDUYFSAZRBXDT-UHFFFAOYSA-N 0 0 310.357 3.214 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCCCCC#N ZINC000183928345 228379375 /nfs/dbraw/zinc/37/93/75/228379375.db2.gz WPFLKUPYOAZZLQ-GFCCVEGCSA-N 0 0 305.426 3.001 10 30 DGEERN Cc1nc(C(F)(F)F)c(C[S@@](=O)CCCCC#N)s1 ZINC000183697592 228375465 /nfs/dbraw/zinc/37/54/65/228375465.db2.gz XGSKAHQGFOHMMV-IBGZPJMESA-N 0 0 310.366 3.413 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000189820278 228493470 /nfs/dbraw/zinc/49/34/70/228493470.db2.gz FBRHLHCRGKXYGB-UHFFFAOYSA-N 0 0 316.364 3.499 10 30 DGEERN C[C@H]1COCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193812574 228578115 /nfs/dbraw/zinc/57/81/15/228578115.db2.gz BVMHYSBBSNKOKB-NWDGAFQWSA-N 0 0 318.442 3.500 10 30 DGEERN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000328618044 228904241 /nfs/dbraw/zinc/90/42/41/228904241.db2.gz DHQVQJSOPOGTFS-WCVJEAGWSA-N 0 0 311.385 3.010 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCSc3ccccc32)C1 ZINC000333146064 229037268 /nfs/dbraw/zinc/03/72/68/229037268.db2.gz ZVLQBPQTEWDKHA-KCQAQPDRSA-N 0 0 300.427 3.465 10 30 DGEERN N#CCc1ccc(NC(=O)c2ncsc2Br)cc1 ZINC000341455472 229097822 /nfs/dbraw/zinc/09/78/22/229097822.db2.gz CWGRFJUPKIRVHS-UHFFFAOYSA-N 0 0 322.187 3.224 10 30 DGEERN COCCOc1cccc(CNc2ccc(F)cc2C#N)c1 ZINC000301384807 229663551 /nfs/dbraw/zinc/66/35/51/229663551.db2.gz WKYYGWYTIXCBKN-UHFFFAOYSA-N 0 0 300.333 3.335 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(NCc2cnn(-c3ccccc3)c2)c1 ZINC000302189122 230151389 /nfs/dbraw/zinc/15/13/89/230151389.db2.gz ALXAKBPTEKQDRF-UHFFFAOYSA-N 0 0 319.324 3.264 10 30 DGEERN Cc1ccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1C#N ZINC000302624670 230324432 /nfs/dbraw/zinc/32/44/32/230324432.db2.gz HSPKSFNFOMGOHW-ZDUSSCGKSA-N 0 0 316.405 3.073 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000063982586 425901517 /nfs/dbraw/zinc/90/15/17/425901517.db2.gz BRCZJCBOJJFVDC-SNVBAGLBSA-N 0 0 307.781 3.146 10 30 DGEERN COc1ccc(Br)c(NCc2nc(C#N)cs2)c1 ZINC000352831329 265187161 /nfs/dbraw/zinc/18/71/61/265187161.db2.gz GJYVJBCBLDZDPS-UHFFFAOYSA-N 0 0 324.203 3.398 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184602736 265577947 /nfs/dbraw/zinc/57/79/47/265577947.db2.gz QBBJPSOPIMVBHQ-UHFFFAOYSA-N 0 0 317.389 3.013 10 30 DGEERN N#Cc1ccccc1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000172704832 432229563 /nfs/dbraw/zinc/22/95/63/432229563.db2.gz KXDLUQZMSDQIIX-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN C=CCOCCCNc1nccc(N2Cc3ccccc3C2)n1 ZINC000624398619 424807083 /nfs/dbraw/zinc/80/70/83/424807083.db2.gz MHKDAXNSXXPCPL-UHFFFAOYSA-N 0 0 310.401 3.001 10 30 DGEERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376056128 267009799 /nfs/dbraw/zinc/00/97/99/267009799.db2.gz KOZPQUKIPJJCKM-OLMNPRSZSA-N 0 0 310.397 3.060 10 30 DGEERN CCS[C@@H]1CCC[C@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531153776 267181375 /nfs/dbraw/zinc/18/13/75/267181375.db2.gz XOPXUOKJQHIKJN-JKSUJKDBSA-N 0 0 302.443 3.281 10 30 DGEERN Cc1cc(C)n([C@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 ZINC000369346969 267322793 /nfs/dbraw/zinc/32/27/93/267322793.db2.gz VJWLRTHQCYSAEI-KRWDZBQOSA-N 0 0 305.385 3.085 10 30 DGEERN Cn1c2cc(Nc3c(C#N)cccc3C#N)ccc2ccc1=O ZINC000362681747 267771235 /nfs/dbraw/zinc/77/12/35/267771235.db2.gz SIXOIECZPQSSFH-UHFFFAOYSA-N 0 0 300.321 3.025 10 30 DGEERN C=CCn1c(SC[C@H](O)CC2CCCC2)nnc1C1CC1 ZINC000191251812 432240140 /nfs/dbraw/zinc/24/01/40/432240140.db2.gz PHAUHHQYUSTCEK-CQSZACIVSA-N 0 0 307.463 3.375 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)[C@H]1CCC(F)(F)C1)CCCC2 ZINC000361840883 268025019 /nfs/dbraw/zinc/02/50/19/268025019.db2.gz ZDVYXFOOPRBSRV-NSHDSACASA-N 0 0 305.328 3.206 10 30 DGEERN N#Cc1cccc(C2(C(=O)Nc3cccc(CCCO)c3)CC2)c1 ZINC000359603906 268238655 /nfs/dbraw/zinc/23/86/55/268238655.db2.gz MYNJKLLALNXVGI-UHFFFAOYSA-N 0 0 320.392 3.153 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCOc3c(Cl)cccc32)c1 ZINC000531869665 268272899 /nfs/dbraw/zinc/27/28/99/268272899.db2.gz QMEMAUCZWRZLBY-UHFFFAOYSA-N 0 0 312.756 3.180 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000530668965 268277961 /nfs/dbraw/zinc/27/79/61/268277961.db2.gz OTOZWSOBZLDHMP-UHFFFAOYSA-N 0 0 320.270 3.480 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000532017807 268278057 /nfs/dbraw/zinc/27/80/57/268278057.db2.gz JXRWILRKGHVTIB-KRWDZBQOSA-N 0 0 312.413 3.099 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC000531151880 268278851 /nfs/dbraw/zinc/27/88/51/268278851.db2.gz JXMDTVSMMBILPR-UHFFFAOYSA-N 0 0 308.366 3.191 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000530668723 268278894 /nfs/dbraw/zinc/27/88/94/268278894.db2.gz QALSKSIRKRIEGR-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN N#Cc1ccnc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000357419051 268295932 /nfs/dbraw/zinc/29/59/32/268295932.db2.gz XJMNNHKLOLGKST-UHFFFAOYSA-N 0 0 322.151 3.278 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000357416468 268296763 /nfs/dbraw/zinc/29/67/63/268296763.db2.gz RDOALKDAABXUCO-UHFFFAOYSA-N 0 0 308.728 3.407 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC000362049026 268303837 /nfs/dbraw/zinc/30/38/37/268303837.db2.gz RWPJKMDSOPKZSY-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437362971 268305933 /nfs/dbraw/zinc/30/59/33/268305933.db2.gz GJSWUJTXODVUIC-JOYOIKCWSA-N 0 0 322.311 3.323 10 30 DGEERN Cn1c(NC(=O)c2cc(C#N)cs2)nc2cc(Cl)ccc21 ZINC000084088773 426231816 /nfs/dbraw/zinc/23/18/16/426231816.db2.gz MTLXDEXZLDQCCY-UHFFFAOYSA-N 0 0 316.773 3.412 10 30 DGEERN C=C(C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000490047102 275417950 /nfs/dbraw/zinc/41/79/50/275417950.db2.gz XBSLACQTXQAYSG-CYBMUJFWSA-N 0 0 317.389 3.137 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ncnc2oc(C)c(C)c21)OCC ZINC000339606659 275419588 /nfs/dbraw/zinc/41/95/88/275419588.db2.gz LARAZMIEXZSRTK-LBPRGKRZSA-N 0 0 303.362 3.149 10 30 DGEERN C=CC[C@H](CO)CNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000341760686 275434032 /nfs/dbraw/zinc/43/40/32/275434032.db2.gz MXLQLOWRBBHBSW-VIFPVBQESA-N 0 0 320.286 3.151 10 30 DGEERN CC(C)(C)OC(=O)N1CCC2(COc3ccc(C#N)cc32)CC1 ZINC000118051565 275518561 /nfs/dbraw/zinc/51/85/61/275518561.db2.gz YPIIZIIFPODFDK-UHFFFAOYSA-N 0 0 314.385 3.219 10 30 DGEERN CC(C)c1nnc2n1CCN(CCCCC(C)(C)C#N)[C@H]2C ZINC000365193492 276076996 /nfs/dbraw/zinc/07/69/96/276076996.db2.gz HULHPMYHFVHHBI-AWEZNQCLSA-N 0 0 303.454 3.498 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2nnc(-c3ccco3)s2)C1 ZINC000626300561 429948079 /nfs/dbraw/zinc/94/80/79/429948079.db2.gz LIZCJMRDQBQWCA-SNVBAGLBSA-N 0 0 304.375 3.228 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2nnc(-c3ccco3)s2)C1 ZINC000626300560 429948174 /nfs/dbraw/zinc/94/81/74/429948174.db2.gz LIZCJMRDQBQWCA-JTQLQIEISA-N 0 0 304.375 3.228 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000289348512 276774590 /nfs/dbraw/zinc/77/45/90/276774590.db2.gz LFSVFYLIKFFNHR-ZCNNSNEGSA-N 0 0 305.421 3.444 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000278911146 276875219 /nfs/dbraw/zinc/87/52/19/276875219.db2.gz ZYBTVYNXWKXLJA-XWTMOSNGSA-N 0 0 315.413 3.004 10 30 DGEERN C=C(C)COCCNC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464384194 277777857 /nfs/dbraw/zinc/77/78/57/277777857.db2.gz OPWRFWAJFHHJNE-OLZOCXBDSA-N 0 0 322.371 3.342 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279100663 277782890 /nfs/dbraw/zinc/78/28/90/277782890.db2.gz PGBQFWLZHYLKNK-XIRDDKMYSA-N 0 0 315.413 3.494 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCOC(C)(C)[C@H]1C ZINC000460385519 277785836 /nfs/dbraw/zinc/78/58/36/277785836.db2.gz HWHAZHCSFNZCFP-UONOGXRCSA-N 0 0 306.454 3.371 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccccc1C(=O)NC(C)C)OCC ZINC000270059620 277800308 /nfs/dbraw/zinc/80/03/08/277800308.db2.gz UFKFQAGUFSOUSL-INIZCTEOSA-N 0 0 318.417 3.135 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1cc(C#N)c(Br)cn1 ZINC000603364861 430547662 /nfs/dbraw/zinc/54/76/62/430547662.db2.gz AKQNYZBDQHLVIR-IINYFYTJSA-N 0 0 322.206 3.109 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C#N)c(Br)cn1 ZINC000603364864 430548341 /nfs/dbraw/zinc/54/83/41/430548341.db2.gz AKQNYZBDQHLVIR-QMTHXVAHSA-N 0 0 322.206 3.109 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CCC1 ZINC000191342459 277823981 /nfs/dbraw/zinc/82/39/81/277823981.db2.gz IPGYCJDOYHNPAB-HNNXBMFYSA-N 0 0 301.434 3.447 10 30 DGEERN C=CCCC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C(=O)CCC=C ZINC000338256988 277826229 /nfs/dbraw/zinc/82/62/29/277826229.db2.gz ZPCOJRCGCDVMHH-HOTGVXAUSA-N 0 0 306.450 3.147 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2nn3c(c2C)OCCC3)CCCC1(C)C ZINC000451215889 277884025 /nfs/dbraw/zinc/88/40/25/277884025.db2.gz JXOMWJOZHUKEFC-AWEZNQCLSA-N 0 0 317.433 3.181 10 30 DGEERN C=CCc1cccc(C(C)C)c1NS(=O)(=O)C[C@@H](C)OC ZINC000295987457 277892124 /nfs/dbraw/zinc/89/21/24/277892124.db2.gz OUGVZLQWLCBDPE-CYBMUJFWSA-N 0 0 311.447 3.315 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC[C@@H](C3CCC3)C2)s1 ZINC000622179792 430609256 /nfs/dbraw/zinc/60/92/56/430609256.db2.gz NZLLJJGCSCFNKI-CYBMUJFWSA-N 0 0 305.447 3.393 10 30 DGEERN COc1cccc2c1N(C(=O)c1ccc(C#N)cc1C)CCC2 ZINC000119167891 278038106 /nfs/dbraw/zinc/03/81/06/278038106.db2.gz NBBQBTRXTHYOON-UHFFFAOYSA-N 0 0 306.365 3.468 10 30 DGEERN CC(C)n1nnnc1CNc1ccccc1SC[C@H](C)C#N ZINC000108355184 431133305 /nfs/dbraw/zinc/13/33/05/431133305.db2.gz UTVPQRSTOVKWAL-GFCCVEGCSA-N 0 0 316.434 3.118 10 30 DGEERN C=CC12CC[NH+](CC1)[C@@H]([C@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345730 431167497 /nfs/dbraw/zinc/16/74/97/431167497.db2.gz FNBBFRCDCVFRON-RTBURBONSA-N 0 0 324.424 3.317 10 30 DGEERN C=CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000110361651 431185721 /nfs/dbraw/zinc/18/57/21/431185721.db2.gz OJYPBEIJCCYVPB-GUYCJALGSA-N 0 0 312.413 3.319 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000108830727 431157946 /nfs/dbraw/zinc/15/79/46/431157946.db2.gz XIHRROJWYQIGHO-CYBMUJFWSA-N 0 0 301.733 3.027 10 30 DGEERN N#CC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCCC1 ZINC000112635830 431291696 /nfs/dbraw/zinc/29/16/96/431291696.db2.gz BUUGQTAXEIAVIW-UHFFFAOYSA-N 0 0 307.353 3.440 10 30 DGEERN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1 ZINC000006890409 431322708 /nfs/dbraw/zinc/32/27/08/431322708.db2.gz WQXIDSLQGCDYSX-LICLKQGHSA-N 0 0 308.297 3.256 10 30 DGEERN Cc1ccc2oc(SCC(=O)N[C@](C)(C#N)C(C)C)nc2c1 ZINC000072626469 431344391 /nfs/dbraw/zinc/34/43/91/431344391.db2.gz XXQWTRIOKBIUEL-MRXNPFEDSA-N 0 0 317.414 3.283 10 30 DGEERN CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](C)c1cccnc1 ZINC000115228387 431441640 /nfs/dbraw/zinc/44/16/40/431441640.db2.gz UOLORNDPNNVEMY-GJZGRUSLSA-N 0 0 323.396 3.330 10 30 DGEERN C[C@H]1C[C@@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115360720 431450641 /nfs/dbraw/zinc/45/06/41/431450641.db2.gz VRXCTFQOBGGHKD-UGSOOPFHSA-N 0 0 306.365 3.275 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NCCCNc1ccccn1 ZINC000115515977 431457094 /nfs/dbraw/zinc/45/70/94/431457094.db2.gz LZTYXPLCGQAJAT-UHFFFAOYSA-N 0 0 321.306 3.281 10 30 DGEERN COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000009437947 431434655 /nfs/dbraw/zinc/43/46/55/431434655.db2.gz AKVIOLIKJOVISV-KGLIPLIRSA-N 0 0 324.380 3.212 10 30 DGEERN C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)c2ccccc21 ZINC000074736808 431437257 /nfs/dbraw/zinc/43/72/57/431437257.db2.gz HMJSDXWWBRNVDH-CQSZACIVSA-N 0 0 321.380 3.270 10 30 DGEERN C=CCCCN(C)C(=O)c1ccccc1NC(=O)NC(C)C ZINC000076650727 431557474 /nfs/dbraw/zinc/55/74/74/431557474.db2.gz QQPLPBIYNHFDPS-UHFFFAOYSA-N 0 0 303.406 3.255 10 30 DGEERN COc1cc(C(=O)/C=C(\C)c2ccncc2)cc(OC)c1OC ZINC000013602102 431559578 /nfs/dbraw/zinc/55/95/78/431559578.db2.gz YTAOPAYRFZPLBZ-FMIVXFBMSA-N 0 0 313.353 3.394 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000076492579 431552097 /nfs/dbraw/zinc/55/20/97/431552097.db2.gz ZAUWQEJUWFWODF-NSHDSACASA-N 0 0 304.415 3.158 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000076953052 431564869 /nfs/dbraw/zinc/56/48/69/431564869.db2.gz TURDSDGXLUOVJL-OAHLLOKOSA-N 0 0 319.424 3.260 10 30 DGEERN C=CCCCN(C)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000076950320 431564993 /nfs/dbraw/zinc/56/49/93/431564993.db2.gz DNOSGIQMMVZHHQ-UHFFFAOYSA-N 0 0 314.433 3.342 10 30 DGEERN CC[C@@H]1CCC[C@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000330204795 280303717 /nfs/dbraw/zinc/30/37/17/280303717.db2.gz BXIWMMLMAHVUOS-OCCSQVGLSA-N 0 0 303.406 3.028 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](C)[C@@H](O)C3)c2c1 ZINC000407983120 280502893 /nfs/dbraw/zinc/50/28/93/280502893.db2.gz BJSBKBJSUILTOH-ABAIWWIYSA-N 0 0 315.804 3.275 10 30 DGEERN Cc1cc(NCc2cc(C#N)ccc2F)nc(-c2ccncc2)n1 ZINC000078474748 431673388 /nfs/dbraw/zinc/67/33/88/431673388.db2.gz CNZAAUKFTWOQII-UHFFFAOYSA-N 0 0 319.343 3.470 10 30 DGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000121209823 431753724 /nfs/dbraw/zinc/75/37/24/431753724.db2.gz ONWKDKYKZVIABC-CQSZACIVSA-N 0 0 316.426 3.305 10 30 DGEERN Cc1cc(C)cc(-c2cc(NC(=O)c3cc(C#N)cn3C)n[nH]2)c1 ZINC000081777542 431797789 /nfs/dbraw/zinc/79/77/89/431797789.db2.gz MMYRQLARHQOOQI-UHFFFAOYSA-N 0 0 319.368 3.156 10 30 DGEERN CN(Cc1nc2c(s1)CCCC2)C(=O)C1(C#N)CCCC1 ZINC000083012264 431804226 /nfs/dbraw/zinc/80/42/26/431804226.db2.gz JYYLFCQWYYHORU-UHFFFAOYSA-N 0 0 303.431 3.064 10 30 DGEERN CCC1CCC(N[C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083030531 431806709 /nfs/dbraw/zinc/80/67/09/431806709.db2.gz SEXKALRCDFGWBD-IMRCBTMISA-N 0 0 300.402 3.331 10 30 DGEERN Cc1ccc(NC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033302105 431811519 /nfs/dbraw/zinc/81/15/19/431811519.db2.gz MVWYMFHXBYGLRK-YBEGLDIGSA-N 0 0 314.370 3.224 10 30 DGEERN N#Cc1csc(C(=O)NCc2ccccc2OC2CCC2)c1 ZINC000084112451 431815282 /nfs/dbraw/zinc/81/52/82/431815282.db2.gz AIODLLBDSCFACI-UHFFFAOYSA-N 0 0 312.394 3.481 10 30 DGEERN COc1cccc(F)c1[C@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084113968 431815464 /nfs/dbraw/zinc/81/54/64/431815464.db2.gz DTSOVXHGEYUVDV-VIFPVBQESA-N 0 0 304.346 3.258 10 30 DGEERN C=CCOCCCC(=O)NCc1ccccc1OC1CCC1 ZINC000080366093 431766869 /nfs/dbraw/zinc/76/68/69/431766869.db2.gz HTTLFNFYWLWDGB-UHFFFAOYSA-N 0 0 303.402 3.217 10 30 DGEERN CC[C@H](C#N)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000121352082 431775640 /nfs/dbraw/zinc/77/56/40/431775640.db2.gz PFNKKKQOUDZAIB-ZWNOBZJWSA-N 0 0 309.207 3.361 10 30 DGEERN CSc1nnc(SCCOc2ccc(C#N)cc2)s1 ZINC000036821140 431841729 /nfs/dbraw/zinc/84/17/29/431841729.db2.gz YNQLQRCXILDFGI-UHFFFAOYSA-N 0 0 309.441 3.303 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(N)cc1Cl ZINC000037204846 431845403 /nfs/dbraw/zinc/84/54/03/431845403.db2.gz LDYCMZNQEMNSIG-AWEZNQCLSA-N 0 0 311.838 3.069 10 30 DGEERN C=CCn1c(SCC(=O)[C@H](C)CC)nc2ccccc2c1=O ZINC000089661125 431873546 /nfs/dbraw/zinc/87/35/46/431873546.db2.gz HSHIEKPKXSVMIH-GFCCVEGCSA-N 0 0 316.426 3.290 10 30 DGEERN C=CCN(Cc1cc(OC)c(OC)cc1OC)CC(F)(F)F ZINC000092471922 431909441 /nfs/dbraw/zinc/90/94/41/431909441.db2.gz VWDOLEQAUIYZJU-UHFFFAOYSA-N 0 0 319.323 3.263 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000123926068 431878826 /nfs/dbraw/zinc/87/88/26/431878826.db2.gz FFHAQKXYLPPJBX-KWQFWETISA-N 0 0 311.154 3.010 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H](C)CCC(=O)OCC)c1ccccc1 ZINC000089805159 431879969 /nfs/dbraw/zinc/87/99/69/431879969.db2.gz XXAGZTCKKYWNKN-LSDHHAIUSA-N 0 0 303.402 3.194 10 30 DGEERN CCOC(=O)CC[C@@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000089854236 431882634 /nfs/dbraw/zinc/88/26/34/431882634.db2.gz PRQBBRBUCVORFV-SNVBAGLBSA-N 0 0 323.780 3.065 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000046079807 431894167 /nfs/dbraw/zinc/89/41/67/431894167.db2.gz GQZOEMUVOZPPCT-ZDUSSCGKSA-N 0 0 306.406 3.372 10 30 DGEERN COc1cccc(OCCCNC(=O)c2ccc(C#N)cc2C)c1 ZINC000124570710 431898112 /nfs/dbraw/zinc/89/81/12/431898112.db2.gz KVVOUVTVPHGMKM-UHFFFAOYSA-N 0 0 324.380 3.074 10 30 DGEERN Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ncnn2C)c1C ZINC000091185354 431903018 /nfs/dbraw/zinc/90/30/18/431903018.db2.gz QFZOWSLMTWWVSO-HNNXBMFYSA-N 0 0 313.405 3.205 10 30 DGEERN C=CCOc1ccccc1C(=O)N(C)CCc1ncc(C)s1 ZINC000124743651 431903557 /nfs/dbraw/zinc/90/35/57/431903557.db2.gz GPDOLJMSGQSVOZ-UHFFFAOYSA-N 0 0 316.426 3.331 10 30 DGEERN N#CC1(NC(=O)c2csc(Cc3ccccc3)n2)CCCC1 ZINC000124796332 431904942 /nfs/dbraw/zinc/90/49/42/431904942.db2.gz QAIUIWHZVPDQRB-UHFFFAOYSA-N 0 0 311.410 3.300 10 30 DGEERN CC(C)(C)OC(=O)NC[C@@H](C=O)Cc1cncc2ccccc21 ZINC000098095856 431977453 /nfs/dbraw/zinc/97/74/53/431977453.db2.gz MLNXKEFPXYOCSY-ZDUSSCGKSA-N 0 0 314.385 3.117 10 30 DGEERN N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000127700720 431978334 /nfs/dbraw/zinc/97/83/34/431978334.db2.gz PDPQTQIVYNKLHO-GOSISDBHSA-N 0 0 310.401 3.277 10 30 DGEERN CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000048666284 431930048 /nfs/dbraw/zinc/93/00/48/431930048.db2.gz DWJBZYGARKCVBB-NSHDSACASA-N 0 0 312.822 3.022 10 30 DGEERN C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc(O)cc1O ZINC000100035029 431980391 /nfs/dbraw/zinc/98/03/91/431980391.db2.gz VPLYIVVMYWDEPZ-WOJGMQOQSA-N 0 0 315.398 3.117 10 30 DGEERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)CC#N ZINC000101515346 431984587 /nfs/dbraw/zinc/98/45/87/431984587.db2.gz AQVHWFFSIOUNIF-UHFFFAOYSA-N 0 0 313.304 3.219 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000056227539 431987548 /nfs/dbraw/zinc/98/75/48/431987548.db2.gz KPPHZITZQDKYOR-NSHDSACASA-N 0 0 316.307 3.267 10 30 DGEERN Cn1c(SCC#Cc2ccccc2)nnc1-c1cccnc1 ZINC000191506820 432272482 /nfs/dbraw/zinc/27/24/82/432272482.db2.gz XPVFXPMOEKDLTG-UHFFFAOYSA-N 0 0 306.394 3.021 10 30 DGEERN N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000151803486 432278921 /nfs/dbraw/zinc/27/89/21/432278921.db2.gz NRLYJQPFCCMPSO-HZPDHXFCSA-N 0 0 320.348 3.072 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248551663 432300143 /nfs/dbraw/zinc/30/01/43/432300143.db2.gz ISQCHIAIKIFGSA-DOTOQJQBSA-N 0 0 304.821 3.339 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)CCC1 ZINC000191452881 432267521 /nfs/dbraw/zinc/26/75/21/432267521.db2.gz QKMFCYVKAQDOCW-CQSZACIVSA-N 0 0 314.433 3.065 10 30 DGEERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CC#Cc1ccccc1 ZINC000192053414 432329513 /nfs/dbraw/zinc/32/95/13/432329513.db2.gz PJRNTPADHVSYER-AOMKIAJQSA-N 0 0 311.450 3.469 10 30 DGEERN C(#Cc1ccccc1)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000192128134 432335511 /nfs/dbraw/zinc/33/55/11/432335511.db2.gz CMUSEWOGMAXMAK-NRFANRHFSA-N 0 0 303.405 3.212 10 30 DGEERN N#Cc1ccsc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174521865 432354442 /nfs/dbraw/zinc/35/44/42/432354442.db2.gz HJJBKJAQRCAGLU-AWEZNQCLSA-N 0 0 304.415 3.184 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1 ZINC000173882541 432306802 /nfs/dbraw/zinc/30/68/02/432306802.db2.gz QFOOCKXLRLNTPL-UHFFFAOYSA-N 0 0 306.321 3.113 10 30 DGEERN CCCOc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173903742 432307155 /nfs/dbraw/zinc/30/71/55/432307155.db2.gz YFQYWCAMWIBXIE-UHFFFAOYSA-N 0 0 324.380 3.156 10 30 DGEERN CC#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248622960 432307375 /nfs/dbraw/zinc/30/73/75/432307375.db2.gz MJVBFJBLMQYOEL-AEFFLSMTSA-N 0 0 318.848 3.395 10 30 DGEERN C#CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000248643109 432310352 /nfs/dbraw/zinc/31/03/52/432310352.db2.gz YOTCIOQOKVLCFW-HOTGVXAUSA-N 0 0 318.848 3.251 10 30 DGEERN N#Cc1nccn1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000152190907 432311384 /nfs/dbraw/zinc/31/13/84/432311384.db2.gz KBOLUUVSPJYMKN-UHFFFAOYSA-N 0 0 302.337 3.055 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000191947316 432315622 /nfs/dbraw/zinc/31/56/22/432315622.db2.gz BFNLEEMTNHRXPJ-WFASDCNBSA-N 0 0 300.402 3.002 10 30 DGEERN C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccs1 ZINC000174819126 432372870 /nfs/dbraw/zinc/37/28/70/432372870.db2.gz ARFNGXLVQWQVNO-LBPRGKRZSA-N 0 0 315.398 3.059 10 30 DGEERN C#CCCCCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000271334302 432376396 /nfs/dbraw/zinc/37/63/96/432376396.db2.gz BBUQFPLYBYMWQL-CQSZACIVSA-N 0 0 319.202 3.324 10 30 DGEERN CC(C)n1cc(C#N)c(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000252483387 432378727 /nfs/dbraw/zinc/37/87/27/432378727.db2.gz FAIHYSDLCWILIG-HOCLYGCPSA-N 0 0 308.385 3.468 10 30 DGEERN CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1nc(C)cs1 ZINC000153092009 432383928 /nfs/dbraw/zinc/38/39/28/432383928.db2.gz KVLWYWKLIILYFW-LBPRGKRZSA-N 0 0 315.398 3.144 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000192574851 432388277 /nfs/dbraw/zinc/38/82/77/432388277.db2.gz FIWYNOJHTABQLA-OAHLLOKOSA-N 0 0 323.458 3.382 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000192656523 432396688 /nfs/dbraw/zinc/39/66/88/432396688.db2.gz HMNWBXKLMDVMCI-UGSOOPFHSA-N 0 0 323.352 3.433 10 30 DGEERN CC[C@H](O)CN(Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC000153367437 432403441 /nfs/dbraw/zinc/40/34/41/432403441.db2.gz VVDIENVJIDVKFL-SFHVURJKSA-N 0 0 310.397 3.344 10 30 DGEERN O=C[C@]1(Pc2ccccc2)C=CC=C[C@@H]1Pc1ccccc1 ZINC000255004078 432406005 /nfs/dbraw/zinc/40/60/05/432406005.db2.gz MWHLVCGXSLAIRP-RBUKOAKNSA-N 0 0 324.300 3.427 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)ccn1 ZINC000193141415 432453552 /nfs/dbraw/zinc/45/35/52/432453552.db2.gz OGSWUSXTJOLAIH-APWZRJJASA-N 0 0 319.408 3.485 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000193166273 432456238 /nfs/dbraw/zinc/45/62/38/432456238.db2.gz AECIIYXJISTGAQ-RDJZCZTQSA-N 0 0 314.429 3.032 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)ccn1 ZINC000192778051 432413557 /nfs/dbraw/zinc/41/35/57/432413557.db2.gz LSEQCVQQDCUFPU-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(C#N)c2)s1 ZINC000175246244 432415871 /nfs/dbraw/zinc/41/58/71/432415871.db2.gz RQEPTRJICPLQGO-JTQLQIEISA-N 0 0 301.371 3.283 10 30 DGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153618052 432426847 /nfs/dbraw/zinc/42/68/47/432426847.db2.gz SODWCORCCXGWEV-INIZCTEOSA-N 0 0 324.340 3.073 10 30 DGEERN C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000193418051 432471919 /nfs/dbraw/zinc/47/19/19/432471919.db2.gz FRTJCDSQNPALTL-YVEFUNNKSA-N 0 0 309.344 3.316 10 30 DGEERN Cc1noc(C2CC2)c1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000154109909 432473814 /nfs/dbraw/zinc/47/38/14/432473814.db2.gz RCMHSUVSUFERJO-NSHDSACASA-N 0 0 311.341 3.138 10 30 DGEERN CCc1ccc(C(C)(C)CNC(=O)c2ccnc(C#N)c2)cc1 ZINC000193470514 432476464 /nfs/dbraw/zinc/47/64/64/432476464.db2.gz DDZMLJOHBRQRJC-UHFFFAOYSA-N 0 0 307.397 3.223 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccsc1)c1cccnc1 ZINC000193507068 432477968 /nfs/dbraw/zinc/47/79/68/432477968.db2.gz ARHMRLOLSHUVBQ-UHFFFAOYSA-N 0 0 322.393 3.200 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccsc2)c2cccnc2)ccn1 ZINC000193508064 432478169 /nfs/dbraw/zinc/47/81/69/432478169.db2.gz JQWKTHCNPBEPKA-UHFFFAOYSA-N 0 0 320.377 3.257 10 30 DGEERN COc1cccc([C@@H]2CN(c3nc(C)cc(C)c3C#N)CCO2)c1 ZINC000154220920 432482644 /nfs/dbraw/zinc/48/26/44/432482644.db2.gz MZWLOSWWEQOJBH-SFHVURJKSA-N 0 0 323.396 3.157 10 30 DGEERN C[C@H]1CCCC[C@@H]1N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000175978041 432483813 /nfs/dbraw/zinc/48/38/13/432483813.db2.gz DUIBMUHKTZACKQ-YOEHRIQHSA-N 0 0 315.417 3.157 10 30 DGEERN Cc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)o1 ZINC000154326070 432491691 /nfs/dbraw/zinc/49/16/91/432491691.db2.gz HMUOBHQMSOVNHB-UHFFFAOYSA-N 0 0 312.369 3.276 10 30 DGEERN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193825054 432500687 /nfs/dbraw/zinc/50/06/87/432500687.db2.gz RPWJHHMSTBMYOY-UGSOOPFHSA-N 0 0 305.381 3.397 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000185977196 432550191 /nfs/dbraw/zinc/55/01/91/432550191.db2.gz OQBIHBRGGWGMAV-MRXNPFEDSA-N 0 0 320.433 3.478 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3ccsc3)C2)c1 ZINC000273180035 432561348 /nfs/dbraw/zinc/56/13/48/432561348.db2.gz AVDMQFPOLXPPRU-KRWDZBQOSA-N 0 0 312.394 3.400 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000185752600 432529942 /nfs/dbraw/zinc/52/99/42/432529942.db2.gz FYKFODHTGAXNQM-HNNXBMFYSA-N 0 0 302.418 3.060 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000185797276 432533891 /nfs/dbraw/zinc/53/38/91/432533891.db2.gz IFGUOPGGPWMABP-ZIAGYGMSSA-N 0 0 313.401 3.440 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(OCCCOC)c1 ZINC000185922891 432546376 /nfs/dbraw/zinc/54/63/76/432546376.db2.gz MOQRMYPCGYXCGG-HNNXBMFYSA-N 0 0 305.418 3.320 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000186592352 432611769 /nfs/dbraw/zinc/61/17/69/432611769.db2.gz CFQFBWKZQDBWBW-LBPRGKRZSA-N 0 0 313.361 3.148 10 30 DGEERN C=CC1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186593350 432612236 /nfs/dbraw/zinc/61/22/36/432612236.db2.gz CTMPVFKLAXLFMY-UHFFFAOYSA-N 0 0 314.389 3.094 10 30 DGEERN CCN(C(=O)[C@H]1CCOC[C@@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000194757681 432573250 /nfs/dbraw/zinc/57/32/50/432573250.db2.gz MMNPLSVMRLVLAA-FZMZJTMJSA-N 0 0 306.793 3.237 10 30 DGEERN CCN(C(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000194757661 432573976 /nfs/dbraw/zinc/57/39/76/432573976.db2.gz MMNPLSVMRLVLAA-SMDDNHRTSA-N 0 0 306.793 3.237 10 30 DGEERN C=CCCC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000263974537 432598757 /nfs/dbraw/zinc/59/87/57/432598757.db2.gz IRIWZQBVINDSHX-GFCCVEGCSA-N 0 0 310.191 3.355 10 30 DGEERN COc1cc(OCc2nc(C)c3ccccc3n2)ccc1C#N ZINC000195092206 432601506 /nfs/dbraw/zinc/60/15/06/432601506.db2.gz YXNCAWNXYZJQRW-UHFFFAOYSA-N 0 0 305.337 3.398 10 30 DGEERN C=CCCC(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000186512202 432604537 /nfs/dbraw/zinc/60/45/37/432604537.db2.gz LKGVDZIPEDPMTO-ILXRZTDVSA-N 0 0 307.434 3.454 10 30 DGEERN C=CCC[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)C1CC1 ZINC000186668114 432621471 /nfs/dbraw/zinc/62/14/71/432621471.db2.gz VEZDNIGZIWHHBJ-OAHLLOKOSA-N 0 0 320.458 3.165 10 30 DGEERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)cn2C)o1 ZINC000177450214 432625037 /nfs/dbraw/zinc/62/50/37/432625037.db2.gz JWJFNENEUXSBRJ-OAHLLOKOSA-N 0 0 311.385 3.420 10 30 DGEERN N#Cc1ccc(C2(C(=O)NC/C=C/c3ccccc3)CC2)cc1 ZINC000186887170 432635628 /nfs/dbraw/zinc/63/56/28/432635628.db2.gz XROXWQLTDIMKHN-QPJJXVBHSA-N 0 0 302.377 3.419 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000274279617 432647002 /nfs/dbraw/zinc/64/70/02/432647002.db2.gz KGOVXRLMWLAJPN-BBRMVZONSA-N 0 0 315.392 3.367 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000187247611 432655030 /nfs/dbraw/zinc/65/50/30/432655030.db2.gz LRVCFODDQZVUTE-KRWDZBQOSA-N 0 0 318.376 3.230 10 30 DGEERN Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2C#N)c1 ZINC000219270283 432661894 /nfs/dbraw/zinc/66/18/94/432661894.db2.gz ROTBNZPKHUENQE-UHFFFAOYSA-N 0 0 305.337 3.040 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000188125469 432705794 /nfs/dbraw/zinc/70/57/94/432705794.db2.gz SYMVRBKJCFKDSN-UGSOOPFHSA-N 0 0 321.417 3.110 10 30 DGEERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188472492 432726759 /nfs/dbraw/zinc/72/67/59/432726759.db2.gz YPYXTXYOWHBEMV-CQSZACIVSA-N 0 0 308.381 3.276 10 30 DGEERN CC1(C)CC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)O1 ZINC000188386063 432722137 /nfs/dbraw/zinc/72/21/37/432722137.db2.gz VHWHIZZEMQUNPP-LBPRGKRZSA-N 0 0 307.781 3.291 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1coc(C)c1 ZINC000189022999 432758207 /nfs/dbraw/zinc/75/82/07/432758207.db2.gz SJFHYBXBAXMLBV-UHFFFAOYSA-N 0 0 300.314 3.325 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCc4c3cccc4F)CC2)cc1 ZINC000189131882 432765764 /nfs/dbraw/zinc/76/57/64/432765764.db2.gz AQSMAZFGXSOGFF-UHFFFAOYSA-N 0 0 306.340 3.318 10 30 DGEERN C=CCCCC(=O)NCc1ccc(Br)cc1OC ZINC000189317564 432777606 /nfs/dbraw/zinc/77/76/06/432777606.db2.gz XCFASUXPDRWEAG-UHFFFAOYSA-N 0 0 312.207 3.430 10 30 DGEERN C=CC[C@@H](C(=O)N[C@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000188508598 432728358 /nfs/dbraw/zinc/72/83/58/432728358.db2.gz OEBVKWXIFPFKMV-CVEARBPZSA-N 0 0 324.428 3.152 10 30 DGEERN C=CC[C@H](C(=O)N[C@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000188508569 432728979 /nfs/dbraw/zinc/72/89/79/432728979.db2.gz OEBVKWXIFPFKMV-HOTGVXAUSA-N 0 0 324.428 3.152 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3nnc(C(F)F)s3)CC2)cc1 ZINC000188786818 432745807 /nfs/dbraw/zinc/74/58/07/432745807.db2.gz GRLOHYGQFMVJIO-UHFFFAOYSA-N 0 0 320.324 3.018 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000162297599 432819347 /nfs/dbraw/zinc/81/93/47/432819347.db2.gz JFXYLKPNDNGOLE-UHFFFAOYSA-N 0 0 319.408 3.219 10 30 DGEERN C=CCCCC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000267239011 432825815 /nfs/dbraw/zinc/82/58/15/432825815.db2.gz XFOCVNUFULLCLK-HNNXBMFYSA-N 0 0 302.418 3.137 10 30 DGEERN COC(C)(C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000178996576 432794961 /nfs/dbraw/zinc/79/49/61/432794961.db2.gz NXGLUIOUNSUYCQ-UHFFFAOYSA-N 0 0 301.371 3.045 10 30 DGEERN CC(C)(C(=O)N[C@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000161870340 432801933 /nfs/dbraw/zinc/80/19/33/432801933.db2.gz CZPDRESZVKRQDQ-CYBMUJFWSA-N 0 0 310.319 3.401 10 30 DGEERN C=CC[C@H](C(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000189725247 432814301 /nfs/dbraw/zinc/81/43/01/432814301.db2.gz JRFSXLBWRMFBCJ-SFHVURJKSA-N 0 0 323.440 3.486 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000277810909 432877195 /nfs/dbraw/zinc/87/71/95/432877195.db2.gz YGDXTZDZEQLMFZ-OIISXLGYSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000277954009 432879482 /nfs/dbraw/zinc/87/94/82/432879482.db2.gz XVSIGDJJALLUDF-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000288196261 432890571 /nfs/dbraw/zinc/89/05/71/432890571.db2.gz PDQAJYBVFRJSNN-HUUCEWRRSA-N 0 0 324.346 3.261 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000288268298 432890837 /nfs/dbraw/zinc/89/08/37/432890837.db2.gz CGRZADQUWUDFBN-YJBOKZPZSA-N 0 0 322.408 3.387 10 30 DGEERN C=CC[C@@H]1N(C(=O)[C@H]2CCCc3n[nH]cc32)CCCC1(C)C ZINC000278387577 432892072 /nfs/dbraw/zinc/89/20/72/432892072.db2.gz JPSDZHNAMSVRJQ-BBRMVZONSA-N 0 0 301.434 3.423 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000330071101 432892417 /nfs/dbraw/zinc/89/24/17/432892417.db2.gz IOVAGIJJXIGXMO-JYYAWHABSA-N 0 0 317.433 3.423 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc(C)cc(Br)c1O ZINC000288744460 432896236 /nfs/dbraw/zinc/89/62/36/432896236.db2.gz WMNUTQAVJRQROQ-UHFFFAOYSA-N 0 0 320.186 3.064 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000277371135 432842960 /nfs/dbraw/zinc/84/29/60/432842960.db2.gz IYWGTJGFCLRULM-UHFFFAOYSA-N 0 0 316.351 3.166 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000268120139 432847898 /nfs/dbraw/zinc/84/78/98/432847898.db2.gz BKKRMQYSJWKVMA-ZDUSSCGKSA-N 0 0 321.442 3.036 10 30 DGEERN C#CCCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245604624 432848713 /nfs/dbraw/zinc/84/87/13/432848713.db2.gz QKUCCGVOOMYRBA-SJLPKXTDSA-N 0 0 320.383 3.020 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Cc1ccc(C)nc1Cl ZINC000288678341 432895179 /nfs/dbraw/zinc/89/51/79/432895179.db2.gz TYLNGYPIXJKMIC-UHFFFAOYSA-N 0 0 318.804 3.436 10 30 DGEERN CCc1nnc(N2CCC(OCC(C)C)CC2)c(C#N)c1CC ZINC000268199479 432854435 /nfs/dbraw/zinc/85/44/35/432854435.db2.gz YIXKCYGIDVZQHH-UHFFFAOYSA-N 0 0 316.449 3.114 10 30 DGEERN C#Cc1ccc(CNC(=O)NCC2(CCOCC)CCC2)cc1 ZINC000296604687 432923995 /nfs/dbraw/zinc/92/39/95/432923995.db2.gz WPZRANNMOHYQJB-UHFFFAOYSA-N 0 0 314.429 3.064 10 30 DGEERN C=CCOc1ccc(COC(=O)c2cnc(C3CC3)nc2)cc1 ZINC000296690738 432925266 /nfs/dbraw/zinc/92/52/66/432925266.db2.gz ALEVRSUFAXVKEE-UHFFFAOYSA-N 0 0 310.353 3.276 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000330209218 432897258 /nfs/dbraw/zinc/89/72/58/432897258.db2.gz HKLVZAQRXUFKKJ-UIBBOPPKSA-N 0 0 306.381 3.143 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000289783982 432974143 /nfs/dbraw/zinc/97/41/43/432974143.db2.gz SYJYMNUYXKFPSJ-GFCCVEGCSA-N 0 0 314.355 3.331 10 30 DGEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000329219360 288880366 /nfs/dbraw/zinc/88/03/66/288880366.db2.gz SKZZCOVFFRTTTC-BPNCWPANSA-N 0 0 324.808 3.235 10 30 DGEERN C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000279625741 432988947 /nfs/dbraw/zinc/98/89/47/432988947.db2.gz IDPSBTYGWNETOR-WMLDXEAASA-N 0 0 312.413 3.007 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CS(=O)(=O)c2ccc(C)cc2)no1 ZINC000290163388 433004752 /nfs/dbraw/zinc/00/47/52/433004752.db2.gz JZTWUSDAIPSQLQ-CYBMUJFWSA-N 0 0 320.414 3.422 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000341328479 433029619 /nfs/dbraw/zinc/02/96/19/433029619.db2.gz FSSTYNSUBOFIAV-XJKSGUPXSA-N 0 0 300.402 3.203 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCOC1(C)C ZINC000297938143 433034388 /nfs/dbraw/zinc/03/43/88/433034388.db2.gz WBBBUTFEKCRZCB-INIZCTEOSA-N 0 0 302.418 3.342 10 30 DGEERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCCC23CCCC3)O1 ZINC000329747874 289023656 /nfs/dbraw/zinc/02/36/56/289023656.db2.gz SPNDOAXKZAVSJR-RRFJBIMHSA-N 0 0 322.449 3.082 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000280507691 433066434 /nfs/dbraw/zinc/06/64/34/433066434.db2.gz MXAPWIHEPXNNMQ-UHFFFAOYSA-N 0 0 319.405 3.003 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(F)(F)c1ccccc1F ZINC000280514051 433068650 /nfs/dbraw/zinc/06/86/50/433068650.db2.gz ANEALLQQPJTWAZ-FZMZJTMJSA-N 0 0 313.319 3.015 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)NCC1CCC(C#N)CC1)CO2 ZINC000373021702 433073410 /nfs/dbraw/zinc/07/34/10/433073410.db2.gz HVFWSQBQDCZZMJ-ZBCRRDGASA-N 0 0 313.401 3.058 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cc(C)nc(N2CCCC2)c1 ZINC000290524576 433080520 /nfs/dbraw/zinc/08/05/20/433080520.db2.gz ZVIIFXCAAWSRDN-AWEZNQCLSA-N 0 0 301.434 3.209 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cc(C)nc(N2CCCC2)c1 ZINC000290524580 433081835 /nfs/dbraw/zinc/08/18/35/433081835.db2.gz ZVIIFXCAAWSRDN-CQSZACIVSA-N 0 0 301.434 3.209 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(CCc2c(C)oc3ccccc32)C1=O ZINC000419932189 433083442 /nfs/dbraw/zinc/08/34/42/433083442.db2.gz FBFHCSSTABHJLB-HNNXBMFYSA-N 0 0 312.369 3.170 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(NCCC)cc2)CCOCC1 ZINC000425263453 433139476 /nfs/dbraw/zinc/13/94/76/433139476.db2.gz LAPGNZPTKAHIBQ-UHFFFAOYSA-N 0 0 316.445 3.498 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373764551 433162687 /nfs/dbraw/zinc/16/26/87/433162687.db2.gz DNSCSZXAYJSBIC-UIBIWLFHSA-N 0 0 324.465 3.099 10 30 DGEERN N#Cc1cc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c[nH]1 ZINC000373813467 433163798 /nfs/dbraw/zinc/16/37/98/433163798.db2.gz UVDVPAQNALGNRB-UHFFFAOYSA-N 0 0 324.771 3.150 10 30 DGEERN C=CCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000453417056 433171296 /nfs/dbraw/zinc/17/12/96/433171296.db2.gz XRDXZWRWLVOQNB-IIDMSEBBSA-N 0 0 316.449 3.332 10 30 DGEERN C=CC[C@@H]1N(c2nnc([C@@]3(C)CCCO3)n2C)CCCC1(C)C ZINC000453424608 433175480 /nfs/dbraw/zinc/17/54/80/433175480.db2.gz KMERTBKSJAZEOI-KBXCAEBGSA-N 0 0 318.465 3.412 10 30 DGEERN C=CCn1c(N2CCC(C)(C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453433458 433184281 /nfs/dbraw/zinc/18/42/81/433184281.db2.gz DCVKWNIGQXRMQL-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N(CC2CC2)C2CCC2)nnc1[C@]1(C)CCCO1 ZINC000453436458 433184370 /nfs/dbraw/zinc/18/43/70/433184370.db2.gz IEMVVKWFVUARSP-SFHVURJKSA-N 0 0 316.449 3.259 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453462808 433198522 /nfs/dbraw/zinc/19/85/22/433198522.db2.gz IRRHQMMMOJIRCQ-IIDMSEBBSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(C)oc1C ZINC000290973232 433210665 /nfs/dbraw/zinc/21/06/65/433210665.db2.gz ITXOIXPRQMEBAY-UHFFFAOYSA-N 0 0 312.377 3.208 10 30 DGEERN COc1cc(C)cc(NCC(=O)Nc2cccc(C#N)c2)c1C ZINC000447409922 433202145 /nfs/dbraw/zinc/20/21/45/433202145.db2.gz OYIPZSKJIXSQCS-UHFFFAOYSA-N 0 0 309.369 3.234 10 30 DGEERN C=C(C)Cn1c(N(C)[C@H](C)C2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453472111 433202468 /nfs/dbraw/zinc/20/24/68/433202468.db2.gz WBZANIXOKHMRQK-CXAGYDPISA-N 0 0 304.438 3.115 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000361565325 433249331 /nfs/dbraw/zinc/24/93/31/433249331.db2.gz NVKHQUVPXSHVQD-UHFFFAOYSA-N 0 0 304.415 3.064 10 30 DGEERN N#CC1(CCCSc2nc(C3CC3)cc(=O)[nH]2)CCOCC1 ZINC000281006261 433251189 /nfs/dbraw/zinc/25/11/89/433251189.db2.gz OBWPIZHRJNFJOB-UHFFFAOYSA-N 0 0 319.430 3.252 10 30 DGEERN C=CCOc1ccc(CN2CCn3cc(C)nc3C2)cc1Cl ZINC000374690664 433255832 /nfs/dbraw/zinc/25/58/32/433255832.db2.gz BEKGONDBUWUPDM-UHFFFAOYSA-N 0 0 317.820 3.426 10 30 DGEERN C=CC[C@H](CC)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000281043392 433260307 /nfs/dbraw/zinc/26/03/07/433260307.db2.gz JHYHKXTWNVCUKB-KRWDZBQOSA-N 0 0 314.429 3.010 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSc1ccccc1C ZINC000281210481 433271855 /nfs/dbraw/zinc/27/18/55/433271855.db2.gz DEGUNGUHYWGAIS-RHSMWYFYSA-N 0 0 305.443 3.185 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1ccccc1C ZINC000281210487 433271986 /nfs/dbraw/zinc/27/19/86/433271986.db2.gz DEGUNGUHYWGAIS-YOEHRIQHSA-N 0 0 305.443 3.185 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000281336019 433289832 /nfs/dbraw/zinc/28/98/32/433289832.db2.gz CKABRKNPRDPAOP-LBPRGKRZSA-N 0 0 310.344 3.208 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000447868170 433309159 /nfs/dbraw/zinc/30/91/59/433309159.db2.gz ICGBNYZAUXJZRO-UHFFFAOYSA-N 0 0 312.193 3.377 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000281513268 433309443 /nfs/dbraw/zinc/30/94/43/433309443.db2.gz RSGUXMRYZDDCKT-CYBMUJFWSA-N 0 0 322.380 3.022 10 30 DGEERN C=CCCCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000448007599 433346811 /nfs/dbraw/zinc/34/68/11/433346811.db2.gz AUBIGTAPTJEZNT-UHFFFAOYSA-N 0 0 315.417 3.400 10 30 DGEERN C=CCCCNC(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000448027672 433353172 /nfs/dbraw/zinc/35/31/72/433353172.db2.gz APCKCPJEFZELBB-HNNXBMFYSA-N 0 0 304.434 3.481 10 30 DGEERN C=CCCCNC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000448036689 433355160 /nfs/dbraw/zinc/35/51/60/433355160.db2.gz ZYKFNBRGPXPNAL-INIZCTEOSA-N 0 0 319.424 3.368 10 30 DGEERN C=CCCCNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000448032902 433357238 /nfs/dbraw/zinc/35/72/38/433357238.db2.gz XJXOMGPNWYIUJW-UHFFFAOYSA-N 0 0 324.371 3.484 10 30 DGEERN C=CCCCNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000448076494 433359270 /nfs/dbraw/zinc/35/92/70/433359270.db2.gz GYMSJHCINZVGGB-UHFFFAOYSA-N 0 0 322.821 3.946 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000425848580 433361654 /nfs/dbraw/zinc/36/16/54/433361654.db2.gz DYANIAZEVNAYNA-JYJNAYRXSA-N 0 0 318.417 3.497 10 30 DGEERN N#CCCN(CCC#N)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000361758838 433377980 /nfs/dbraw/zinc/37/79/80/433377980.db2.gz CAISQGYBKDSDJA-UHFFFAOYSA-N 0 0 323.318 3.294 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000291847471 433372955 /nfs/dbraw/zinc/37/29/55/433372955.db2.gz HMIJHYNHQAFDBC-SNVBAGLBSA-N 0 0 305.852 3.274 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(OCC(=C)C)c1 ZINC000425650109 433336167 /nfs/dbraw/zinc/33/61/67/433336167.db2.gz KSSNQNCCDZYWRU-YOEHRIQHSA-N 0 0 316.401 3.354 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](O)Cc1ccccc1 ZINC000413988468 433339863 /nfs/dbraw/zinc/33/98/63/433339863.db2.gz OZSFFNPRDLEYRP-VQTJNVASSA-N 0 0 323.436 3.284 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CCC(C)C)cn1 ZINC000425682890 433343801 /nfs/dbraw/zinc/34/38/01/433343801.db2.gz SQEOOMPUKBYVJJ-HOTGVXAUSA-N 0 0 317.433 3.383 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000448373722 433402568 /nfs/dbraw/zinc/40/25/68/433402568.db2.gz IEPHYDAYCIMUDQ-UHFFFAOYSA-N 0 0 315.200 3.323 10 30 DGEERN C=CCCCNC(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000448388437 433405618 /nfs/dbraw/zinc/40/56/18/433405618.db2.gz ZIZAXPCRRUAYOB-UHFFFAOYSA-N 0 0 324.428 3.215 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000426048325 433413419 /nfs/dbraw/zinc/41/34/19/433413419.db2.gz ISCXBGQPRAGNRB-LSDHHAIUSA-N 0 0 304.438 3.238 10 30 DGEERN C[C@H](Nc1ccc(C#N)cc1F)C(=O)N1CCc2ccccc21 ZINC000301188254 433447604 /nfs/dbraw/zinc/44/76/04/433447604.db2.gz QMOUKZRHEXNVEI-LBPRGKRZSA-N 0 0 309.344 3.087 10 30 DGEERN Cc1cccc(C)c1OC1CCN(c2nccnc2C#N)CC1 ZINC000301204137 433450282 /nfs/dbraw/zinc/45/02/82/433450282.db2.gz YDGZWNULFKELAD-UHFFFAOYSA-N 0 0 308.385 3.013 10 30 DGEERN CSC[C@@H](CCO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301376248 433531199 /nfs/dbraw/zinc/53/11/99/433531199.db2.gz VZOXBFZBLLJCMA-GFCCVEGCSA-N 0 0 321.833 3.286 10 30 DGEERN N#Cc1cc(F)ccc1NCC[S@](=O)Cc1ccccc1 ZINC000301402384 433538387 /nfs/dbraw/zinc/53/83/87/433538387.db2.gz RECMHSIYSZHFAQ-NRFANRHFSA-N 0 0 302.374 3.058 10 30 DGEERN C=CCC1(C(=O)NCCc2c(C)nn(C)c2C)CCCCC1 ZINC000448684416 433490947 /nfs/dbraw/zinc/49/09/47/433490947.db2.gz KREOYWPCQHHYTD-UHFFFAOYSA-N 0 0 303.450 3.222 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccnnc1C ZINC000362051124 433506329 /nfs/dbraw/zinc/50/63/29/433506329.db2.gz YOSQRFCIMVPUKR-UHFFFAOYSA-N 0 0 312.373 3.014 10 30 DGEERN C=CCOc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000426670073 433557488 /nfs/dbraw/zinc/55/74/88/433557488.db2.gz QBNMONIXYOMGSU-OAHLLOKOSA-N 0 0 305.418 3.478 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1nnn(C(C)C)c1C ZINC000292473586 433567007 /nfs/dbraw/zinc/56/70/07/433567007.db2.gz PXJKBVMPXZWNPK-UHFFFAOYSA-N 0 0 312.417 3.386 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CC[C@H]1COC)c1ccc(F)c(F)c1 ZINC000292471781 433568291 /nfs/dbraw/zinc/56/82/91/433568291.db2.gz CLYWOOGKJZHHEO-WFASDCNBSA-N 0 0 310.344 3.012 10 30 DGEERN CCN(CCC#N)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000301493570 433578410 /nfs/dbraw/zinc/57/84/10/433578410.db2.gz QVBATBUCBYLHSF-UHFFFAOYSA-N 0 0 321.306 3.297 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C[C@@H](C)O)C(C)C)c1 ZINC000362204618 433584887 /nfs/dbraw/zinc/58/48/87/433584887.db2.gz VMFMXWWXDZSVEG-CQSZACIVSA-N 0 0 306.406 3.265 10 30 DGEERN C=CCN1CC[C@@H](N2CC[C@@H](C(F)(F)F)c3ccccc32)C1=O ZINC000292751935 433591229 /nfs/dbraw/zinc/59/12/29/433591229.db2.gz NWYSKVNNECCOCE-UKRRQHHQSA-N 0 0 324.346 3.330 10 30 DGEERN C#CCOc1cccc(-c2noc([C@H]3CCCC[C@@H]3OC)n2)c1 ZINC000293145554 433633898 /nfs/dbraw/zinc/63/38/98/433633898.db2.gz LMRPQJQGHWXKDG-HOTGVXAUSA-N 0 0 312.369 3.421 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000293176247 433641077 /nfs/dbraw/zinc/64/10/77/433641077.db2.gz GWPHFACQBJRMGW-ROUUACIJSA-N 0 0 312.413 3.278 10 30 DGEERN C=CCC1(NC(=O)[C@@H](C)Oc2cccc(CO)c2)CCCCC1 ZINC000456359175 433613568 /nfs/dbraw/zinc/61/35/68/433613568.db2.gz BOZVIRZCPNQWNC-OAHLLOKOSA-N 0 0 317.429 3.341 10 30 DGEERN C=CCC1(NC(=O)c2cc([N+](=O)[O-])cnc2C)CCCCC1 ZINC000456376562 433626595 /nfs/dbraw/zinc/62/65/95/433626595.db2.gz DYHBNHLHFZGSAA-UHFFFAOYSA-N 0 0 303.362 3.307 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000362372102 433667158 /nfs/dbraw/zinc/66/71/58/433667158.db2.gz VQBBGMUJQVZPOG-NSHDSACASA-N 0 0 310.344 3.092 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ncnc2oc(C)c(C)c21)OCC ZINC000339606658 433679459 /nfs/dbraw/zinc/67/94/59/433679459.db2.gz LARAZMIEXZSRTK-GFCCVEGCSA-N 0 0 303.362 3.149 10 30 DGEERN C=C(Cl)CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000376164008 433680962 /nfs/dbraw/zinc/68/09/62/433680962.db2.gz CVKKVBHZTHHCFT-AWEZNQCLSA-N 0 0 321.852 3.362 10 30 DGEERN Cc1ccnc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000368294541 293112772 /nfs/dbraw/zinc/11/27/72/293112772.db2.gz RYAAUEIPIJBVKH-UHFFFAOYSA-N 0 0 321.384 3.068 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000283283754 433702210 /nfs/dbraw/zinc/70/22/10/433702210.db2.gz WBUFLMRITARFFO-MRXNPFEDSA-N 0 0 315.417 3.096 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(N)=O)o1 ZINC000356821391 433716638 /nfs/dbraw/zinc/71/66/38/433716638.db2.gz ZUVYYDZDQXPDAT-UHFFFAOYSA-N 0 0 312.369 3.483 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376369142 433721194 /nfs/dbraw/zinc/72/11/94/433721194.db2.gz VLZIYIZRONQOSU-CQSZACIVSA-N 0 0 305.397 3.012 10 30 DGEERN Cc1nc2ccccc2n1C1CCN(c2ccncc2C#N)CC1 ZINC000376396730 433730157 /nfs/dbraw/zinc/73/01/57/433730157.db2.gz RMHXUFYMABELFX-UHFFFAOYSA-N 0 0 317.396 3.453 10 30 DGEERN COc1ccc(CN(C)c2cc(C)nc(C)c2C#N)c(OC)c1 ZINC000301803065 433732881 /nfs/dbraw/zinc/73/28/81/433732881.db2.gz WUNSGAZSDHLERU-UHFFFAOYSA-N 0 0 311.385 3.224 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OCCC)cc1 ZINC000362537637 433743389 /nfs/dbraw/zinc/74/33/89/433743389.db2.gz LOZLRIGGWAUISJ-IRXDYDNUSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000456603793 433745619 /nfs/dbraw/zinc/74/56/19/433745619.db2.gz WZWAFHWNEWEMOC-HOCLYGCPSA-N 0 0 302.418 3.055 10 30 DGEERN C=CCC[C@H](NC(=O)CSc1ccccc1C)C(=O)OCC ZINC000456628222 433752822 /nfs/dbraw/zinc/75/28/22/433752822.db2.gz NTEWLZLSSQYNKI-AWEZNQCLSA-N 0 0 321.442 3.101 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000283629358 433753535 /nfs/dbraw/zinc/75/35/35/433753535.db2.gz XZVKSBKZOQDAHW-OAHLLOKOSA-N 0 0 324.424 3.442 10 30 DGEERN C=CCOc1cccc(NC(=O)C[C@@H](O)Cc2ccccc2)c1 ZINC000362609446 433788632 /nfs/dbraw/zinc/78/86/32/433788632.db2.gz RTRYVMSPFSXQFA-KRWDZBQOSA-N 0 0 311.381 3.184 10 30 DGEERN Cc1cccc2[nH]c(CNc3ccc([N+](=O)[O-])cc3C#N)nc21 ZINC000301901644 433789379 /nfs/dbraw/zinc/78/93/79/433789379.db2.gz VTLSRUNVXIEYLH-UHFFFAOYSA-N 0 0 307.313 3.263 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C)n2[C@@H](C)CO ZINC000456730535 433797158 /nfs/dbraw/zinc/79/71/58/433797158.db2.gz UURSHFRFABJRIZ-OLZOCXBDSA-N 0 0 315.417 3.439 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000376706187 433801645 /nfs/dbraw/zinc/80/16/45/433801645.db2.gz IOBWRMDQOGTATN-QGZVFWFLSA-N 0 0 301.336 3.291 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(c2cccc(OC)c2)CC1 ZINC000376723550 433804747 /nfs/dbraw/zinc/80/47/47/433804747.db2.gz TVVDRUSENRPEBC-UHFFFAOYSA-N 0 0 309.409 3.064 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000376738304 433809390 /nfs/dbraw/zinc/80/93/90/433809390.db2.gz SQGIANHADODITO-SUMDDJOVSA-N 0 0 317.404 3.373 10 30 DGEERN C=CC[C@@H](CO)Nc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000302115184 433812775 /nfs/dbraw/zinc/81/27/75/433812775.db2.gz CIXVJYBQEAKLEC-ZDUSSCGKSA-N 0 0 306.369 3.017 10 30 DGEERN C=CC[C@H](CO)Nc1ccnc2cc(Br)ccc21 ZINC000302143879 433813438 /nfs/dbraw/zinc/81/34/38/433813438.db2.gz QGHGUKBWVJGJGT-LLVKDONJSA-N 0 0 307.191 3.346 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000456762493 433814543 /nfs/dbraw/zinc/81/45/43/433814543.db2.gz FVPLXFBTHFJLFE-AWEZNQCLSA-N 0 0 315.335 3.081 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000456771875 433818478 /nfs/dbraw/zinc/81/84/78/433818478.db2.gz WALDAWGBJVDAKQ-MSOLQXFVSA-N 0 0 303.446 3.335 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(CO)c(F)c2)CCCCC1 ZINC000449820665 433821485 /nfs/dbraw/zinc/82/14/85/433821485.db2.gz NALSDXRPZDLGRL-UHFFFAOYSA-N 0 0 305.393 3.461 10 30 DGEERN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#N)n2C)c1C ZINC000449923764 433873196 /nfs/dbraw/zinc/87/31/96/433873196.db2.gz FYVPMNLGISRFFA-KRWDZBQOSA-N 0 0 307.397 3.491 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)c(CC(C)C)c(C)n1 ZINC000435589913 433876508 /nfs/dbraw/zinc/87/65/08/433876508.db2.gz VSFHVIMIQVEDMS-NVXWUHKLSA-N 0 0 303.450 3.685 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421972456 433828127 /nfs/dbraw/zinc/82/81/27/433828127.db2.gz BULIJDXSWPLYOK-ILXRZTDVSA-N 0 0 309.450 3.415 10 30 DGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccc(F)cc1F ZINC000302702621 433831533 /nfs/dbraw/zinc/83/15/33/433831533.db2.gz GEKGCIDSZFQYEW-MRVPVSSYSA-N 0 0 304.256 3.313 10 30 DGEERN C=C(CC)CNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000456814488 433839144 /nfs/dbraw/zinc/83/91/44/433839144.db2.gz UKHFNDSOUFVTDE-UHFFFAOYSA-N 0 0 309.356 3.095 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000376960946 433840955 /nfs/dbraw/zinc/84/09/55/433840955.db2.gz NFCFPOVPDQNLOD-BEFAXECRSA-N 0 0 309.409 3.268 10 30 DGEERN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1F ZINC000302727900 433843920 /nfs/dbraw/zinc/84/39/20/433843920.db2.gz OSXHNBPSAQXRPG-VIFPVBQESA-N 0 0 316.292 3.182 10 30 DGEERN C=C(CC)CNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000456831023 433848390 /nfs/dbraw/zinc/84/83/90/433848390.db2.gz SDOOFAMIZIGHNA-UHFFFAOYSA-N 0 0 317.414 3.366 10 30 DGEERN N#Cc1cc(=NOC[C@H]2CCOC2)[nH]c2ccc(Cl)cc12 ZINC000302766256 433856982 /nfs/dbraw/zinc/85/69/82/433856982.db2.gz LOPQXMDYMTUFRH-JTQLQIEISA-N 0 0 303.749 3.140 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000362799691 433865434 /nfs/dbraw/zinc/86/54/34/433865434.db2.gz WXDQSYXRMJVKQE-IRXDYDNUSA-N 0 0 303.402 3.025 10 30 DGEERN C=CCC1(C(=O)NCc2ccn(Cc3ccccc3)n2)CCC1 ZINC000284729458 433902225 /nfs/dbraw/zinc/90/22/25/433902225.db2.gz PQTWVAVXWFUCDP-UHFFFAOYSA-N 0 0 309.413 3.294 10 30 DGEERN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C#N)n1C ZINC000449998582 433914777 /nfs/dbraw/zinc/91/47/77/433914777.db2.gz IPNZSCVAYSXJFU-MRXNPFEDSA-N 0 0 313.376 3.033 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2c1OCC[C@H]2OC ZINC000344924269 433886835 /nfs/dbraw/zinc/88/68/35/433886835.db2.gz ICQMDFNGUZLZSH-IMJJTQAJSA-N 0 0 317.385 3.076 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000449948291 433887507 /nfs/dbraw/zinc/88/75/07/433887507.db2.gz LVLWEEDYLKDBRV-UHFFFAOYSA-N 0 0 301.777 3.215 10 30 DGEERN CC[C@H](C)[C@@H](CNc1ncc(Br)cc1C#N)OC ZINC000362977173 433937345 /nfs/dbraw/zinc/93/73/45/433937345.db2.gz PFFIYWQGEWECOV-JOYOIKCWSA-N 0 0 312.211 3.189 10 30 DGEERN CC[C@H](C)[C@H](CNc1ncc(Br)cc1C#N)OC ZINC000362977172 433939665 /nfs/dbraw/zinc/93/96/65/433939665.db2.gz PFFIYWQGEWECOV-CABZTGNLSA-N 0 0 312.211 3.189 10 30 DGEERN C=CCNc1nnc(SC[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000436589083 434026243 /nfs/dbraw/zinc/02/62/43/434026243.db2.gz JSEHPGBLHNKANS-STQMWFEESA-N 0 0 303.456 4.032 10 30 DGEERN C=CC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000450286940 434081962 /nfs/dbraw/zinc/08/19/62/434081962.db2.gz MVZRGPFJVNMRFI-HUUCEWRRSA-N 0 0 306.837 3.414 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000285937173 434111543 /nfs/dbraw/zinc/11/15/43/434111543.db2.gz KBCUJLFBSLDTSI-INIZCTEOSA-N 0 0 317.414 3.372 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416364286 434114938 /nfs/dbraw/zinc/11/49/38/434114938.db2.gz VMRNEYHUPKYFNU-HOCLYGCPSA-N 0 0 302.418 3.362 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C[C@@H]2CCOC[C@H]2OC)c1 ZINC000294495178 434116791 /nfs/dbraw/zinc/11/67/91/434116791.db2.gz GPFXOSCHMCUGQL-WMLDXEAASA-N 0 0 319.401 3.022 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cnc(C2CC2)nc1 ZINC000294577982 434117925 /nfs/dbraw/zinc/11/79/25/434117925.db2.gz PRAKTXVRFCTIMM-UHFFFAOYSA-N 0 0 311.360 3.322 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416474247 434128124 /nfs/dbraw/zinc/12/81/24/434128124.db2.gz GSFPHSVRFSQWIL-LLVKDONJSA-N 0 0 315.822 3.078 10 30 DGEERN Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000450360887 434129281 /nfs/dbraw/zinc/12/92/81/434129281.db2.gz CKLVBAZZDWATDA-UHFFFAOYSA-N 0 0 319.408 3.443 10 30 DGEERN Cn1ccc2c(NC(=O)[C@@H]3CCCCC(=O)N3)cccc2c1=O ZINC000328640690 294361069 /nfs/dbraw/zinc/36/10/69/294361069.db2.gz CVSFHDXGQZUTGD-AWEZNQCLSA-N 0 0 313.357 3.026 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1OC ZINC000286023853 434141308 /nfs/dbraw/zinc/14/13/08/434141308.db2.gz ZUAXXHAAEKAHHR-IBGZPJMESA-N 0 0 321.420 3.379 10 30 DGEERN C=CCN(C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)C1CC1 ZINC000378387741 434165812 /nfs/dbraw/zinc/16/58/12/434165812.db2.gz FJNAJWBISMGHCE-NVXWUHKLSA-N 0 0 300.402 3.124 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000357784175 434176369 /nfs/dbraw/zinc/17/63/69/434176369.db2.gz QECWXYJAPSMROJ-AWEZNQCLSA-N 0 0 314.776 3.062 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000346186095 434183164 /nfs/dbraw/zinc/18/31/64/434183164.db2.gz QGSAUPQJMXKRCH-JONQDZQNSA-N 0 0 309.450 3.068 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000450465494 434202608 /nfs/dbraw/zinc/20/26/08/434202608.db2.gz FNACSWBYNMBVAT-MRXNPFEDSA-N 0 0 323.371 3.402 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(c2ccccn2)CC1 ZINC000364640543 434275900 /nfs/dbraw/zinc/27/59/00/434275900.db2.gz XCAHSYPMBFQORR-SFHVURJKSA-N 0 0 302.418 3.016 10 30 DGEERN COc1cc(CC(=O)N2CCC(C)(C#N)CC2)ccc1Cl ZINC000450497762 434228799 /nfs/dbraw/zinc/22/87/99/434228799.db2.gz FGAIDIPZHIALMN-UHFFFAOYSA-N 0 0 306.793 3.043 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(C)n1)OCC ZINC000364112302 434233908 /nfs/dbraw/zinc/23/39/08/434233908.db2.gz WGQYBOBUHWOLKC-HUUCEWRRSA-N 0 0 321.421 3.193 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330091768 294608280 /nfs/dbraw/zinc/60/82/80/294608280.db2.gz YCJMVHUTGWENKS-ZAPJKBGESA-N 0 0 317.433 3.423 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)c1c(C)noc1C ZINC000286630220 434281298 /nfs/dbraw/zinc/28/12/98/434281298.db2.gz CTABRROHHQEMKL-KRWDZBQOSA-N 0 0 324.424 3.320 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1OCCc2ccccc21 ZINC000286636874 434281676 /nfs/dbraw/zinc/28/16/76/434281676.db2.gz DCQSLPDBDRSFCC-ICSRJNTNSA-N 0 0 319.404 3.051 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1O ZINC000286631931 434282971 /nfs/dbraw/zinc/28/29/71/434282971.db2.gz CVKBTDSEZVYHAB-GOSISDBHSA-N 0 0 307.393 3.076 10 30 DGEERN C[C@H](Cc1cccs1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328621506 434292061 /nfs/dbraw/zinc/29/20/61/434292061.db2.gz HTLJPMBATBRIRK-UXIGCNINSA-N 0 0 319.430 3.147 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)o1 ZINC000328634273 434293011 /nfs/dbraw/zinc/29/30/11/434293011.db2.gz TXZFGJBQNHJGGS-YWPYICTPSA-N 0 0 303.362 3.117 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCc3ccccc31)CCC2 ZINC000328659427 434296976 /nfs/dbraw/zinc/29/69/76/434296976.db2.gz SSZWDQPLKRNEDU-RDJZCZTQSA-N 0 0 324.428 3.260 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CSC ZINC000287195040 434309980 /nfs/dbraw/zinc/30/99/80/434309980.db2.gz DFNNCDYYUCTFCL-IAGOWNOFSA-N 0 0 316.470 3.158 10 30 DGEERN C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000328770594 434311104 /nfs/dbraw/zinc/31/11/04/434311104.db2.gz GTJTUQLEXZGKOZ-MCIONIFRSA-N 0 0 318.465 3.188 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457717542 434314423 /nfs/dbraw/zinc/31/44/23/434314423.db2.gz UYWAGJPXPMHWDW-LBPRGKRZSA-N 0 0 311.809 3.042 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000287269258 434317095 /nfs/dbraw/zinc/31/70/95/434317095.db2.gz DOFBEKIICDZBFJ-UHFFFAOYSA-N 0 0 309.409 3.287 10 30 DGEERN O=C(N[C@@H]1CCc2c1cccc2Cl)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328861774 434319528 /nfs/dbraw/zinc/31/95/28/434319528.db2.gz ZKJSKQNRDPCDRC-BZUAXINKSA-N 0 0 320.820 3.398 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)CC[C@@H]1CC[C@@H](C)O1)CCC2 ZINC000328866579 434322160 /nfs/dbraw/zinc/32/21/60/434322160.db2.gz ZULQELATJFAERZ-ILXRZTDVSA-N 0 0 305.422 3.373 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000328893682 434326176 /nfs/dbraw/zinc/32/61/76/434326176.db2.gz VEOVZKYBDAUDFR-IUIKQTSFSA-N 0 0 306.381 3.266 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000287439133 434361203 /nfs/dbraw/zinc/36/12/03/434361203.db2.gz FWFLHHLMAPAXPD-LBPRGKRZSA-N 0 0 305.324 3.128 10 30 DGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329209998 434372874 /nfs/dbraw/zinc/37/28/74/434372874.db2.gz YQZLUBSBTCDJPD-DUVNUKRYSA-N 0 0 317.389 3.015 10 30 DGEERN Cc1ncsc1CN(C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000329214571 434373431 /nfs/dbraw/zinc/37/34/31/434373431.db2.gz LHBNJEVPSINNOG-UHFFFAOYSA-N 0 0 322.459 3.117 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Sc1ccccn1 ZINC000287533793 434387719 /nfs/dbraw/zinc/38/77/19/434387719.db2.gz VRASMMGAYZGKIC-WBVHZDCISA-N 0 0 324.449 3.313 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 ZINC000366179708 434349145 /nfs/dbraw/zinc/34/91/45/434349145.db2.gz DXVWIFWYINHUCG-KYHPRHEASA-N 0 0 304.434 3.267 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000450848500 434442738 /nfs/dbraw/zinc/44/27/38/434442738.db2.gz UOPBILLOIOJQRJ-DYEKYZERSA-N 0 0 311.784 3.026 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CC1CCOCC1)C2 ZINC000329617665 434443015 /nfs/dbraw/zinc/44/30/15/434443015.db2.gz DSUWLDZLOGYRHP-AWEZNQCLSA-N 0 0 319.449 3.269 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCSC[C@@H](C)C1 ZINC000287541222 434392545 /nfs/dbraw/zinc/39/25/45/434392545.db2.gz VYRVUGPPBGEQTN-DOTOQJQBSA-N 0 0 316.470 3.016 10 30 DGEERN CC(C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000358559905 434395025 /nfs/dbraw/zinc/39/50/25/434395025.db2.gz DWBNAIRLLLDXQL-WDEREUQCSA-N 0 0 301.369 3.351 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1Cc2ccccc2C1 ZINC000287563014 434396800 /nfs/dbraw/zinc/39/68/00/434396800.db2.gz WZWCSRYAHUESTB-LJQANCHMSA-N 0 0 304.393 3.346 10 30 DGEERN CN(C(=O)c1coc(Br)c1)c1cccc(C#N)c1 ZINC000394152494 434402020 /nfs/dbraw/zinc/40/20/20/434402020.db2.gz WKMJOUGFNRXPJD-UHFFFAOYSA-N 0 0 305.131 3.190 10 30 DGEERN Cc1cc(Cl)cnc1NC(=O)N1CCOCC2(CCC2)C1 ZINC000329637346 434447941 /nfs/dbraw/zinc/44/79/41/434447941.db2.gz VOLCQGFQRGVPBF-UHFFFAOYSA-N 0 0 309.797 3.091 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000417498124 434411459 /nfs/dbraw/zinc/41/14/59/434411459.db2.gz FIKLRUVIVKKZAX-ZQDZILKHSA-N 0 0 304.438 3.186 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000359243284 434416579 /nfs/dbraw/zinc/41/65/79/434416579.db2.gz PASZGTOTQKAOIQ-LSDHHAIUSA-N 0 0 316.449 3.127 10 30 DGEERN Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000329630899 434448624 /nfs/dbraw/zinc/44/86/24/434448624.db2.gz RCRQPHACJAUZDA-JTQLQIEISA-N 0 0 319.434 3.094 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000417608504 434461593 /nfs/dbraw/zinc/46/15/93/434461593.db2.gz IYCLOHUCGUPRLH-HNNXBMFYSA-N 0 0 319.401 3.151 10 30 DGEERN C[C@H](C(=O)Nc1nccs1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329700745 434463447 /nfs/dbraw/zinc/46/34/47/434463447.db2.gz ZZSRBPIGFCBJAC-OCCSQVGLSA-N 0 0 323.462 3.401 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H]1CCCCS1(=O)=O ZINC000329701438 434464160 /nfs/dbraw/zinc/46/41/60/434464160.db2.gz HKMHBDGZXGXCGT-KBUPBQIOSA-N 0 0 315.479 3.371 10 30 DGEERN C=CCC[C@H](CO)Nc1nnc(-c2ccccc2Cl)s1 ZINC000450892110 434464278 /nfs/dbraw/zinc/46/42/78/434464278.db2.gz COLNNQUHCHYWSG-SNVBAGLBSA-N 0 0 309.822 3.598 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](C=C)CCC(=O)[O-])cc1Cl ZINC000417621049 434467585 /nfs/dbraw/zinc/46/75/85/434467585.db2.gz DWZZLGJJFNAOIH-CYBMUJFWSA-N 0 0 309.793 3.414 10 30 DGEERN Cc1cnn([C@@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)c1 ZINC000329744034 434469424 /nfs/dbraw/zinc/46/94/24/434469424.db2.gz QLLIOMUJSBNLJA-MRXNPFEDSA-N 0 0 317.396 3.453 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1csc(Br)c1 ZINC000417626982 434476651 /nfs/dbraw/zinc/47/66/51/434476651.db2.gz OVEKKTARYKUMEB-SECBINFHSA-N 0 0 304.209 3.020 10 30 DGEERN CN(Cc1csc(Br)c1)c1ccncc1C#N ZINC000399558952 434477887 /nfs/dbraw/zinc/47/78/87/434477887.db2.gz FXYKSDXQBYSCAC-UHFFFAOYSA-N 0 0 308.204 3.414 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296020643 434478295 /nfs/dbraw/zinc/47/82/95/434478295.db2.gz XBGMGBVEMAGIJL-VIFPVBQESA-N 0 0 323.194 3.033 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(C)cc1Br ZINC000417634930 434480538 /nfs/dbraw/zinc/48/05/38/434480538.db2.gz ZIYISPABMJBPSK-LBPRGKRZSA-N 0 0 312.207 3.267 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000417631641 434480822 /nfs/dbraw/zinc/48/08/22/434480822.db2.gz VYDWUGPYDBOLLT-GFCCVEGCSA-N 0 0 305.271 3.354 10 30 DGEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCc3ccccc31)CC2 ZINC000329816489 434483059 /nfs/dbraw/zinc/48/30/59/434483059.db2.gz FLHRXVQTCMYCOJ-GDBMZVCRSA-N 0 0 324.428 3.403 10 30 DGEERN CC[C@@H](NC(=O)c1cn2ccnc2s1)c1c(C)nn(C)c1C ZINC000329840109 434491283 /nfs/dbraw/zinc/49/12/83/434491283.db2.gz OBAYTNIYBFBPML-LLVKDONJSA-N 0 0 317.418 3.202 10 30 DGEERN Cn1cc(NC(=O)N2CCc3ccc(F)cc3C2)c(C2CC2)n1 ZINC000329630238 434449321 /nfs/dbraw/zinc/44/93/21/434449321.db2.gz QQUGIAPGHLVDKH-UHFFFAOYSA-N 0 0 314.364 3.040 10 30 DGEERN CC(C)(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CCC1 ZINC000398082919 434449599 /nfs/dbraw/zinc/44/95/99/434449599.db2.gz SEXPMOIDJCFERG-UHFFFAOYSA-N 0 0 312.822 3.069 10 30 DGEERN CC(C)(C#N)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000408066812 434541388 /nfs/dbraw/zinc/54/13/88/434541388.db2.gz DFFRHMNHPJXZIS-GFCCVEGCSA-N 0 0 307.191 3.102 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC3(C2)CCOCC3)c1 ZINC000367925424 434561201 /nfs/dbraw/zinc/56/12/01/434561201.db2.gz LNDAOAKKGXOUSG-UHFFFAOYSA-N 0 0 316.401 3.286 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000368505488 434575188 /nfs/dbraw/zinc/57/51/88/434575188.db2.gz VWGLRWIQEFGWBP-ZDUSSCGKSA-N 0 0 323.387 3.151 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000369531689 434596563 /nfs/dbraw/zinc/59/65/63/434596563.db2.gz LPOLXLLPFYYZJJ-ZWKOTPCHSA-N 0 0 322.412 3.112 10 30 DGEERN C#CCCNC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370502998 434613944 /nfs/dbraw/zinc/61/39/44/434613944.db2.gz MWENLEPGKHFIHM-INIZCTEOSA-N 0 0 313.788 3.147 10 30 DGEERN C=CCn1c(SC[C@H](OC)C2CC2)nc2sccc2c1=O ZINC000424099154 434622175 /nfs/dbraw/zinc/62/21/75/434622175.db2.gz MBDWLUGONNQEEY-LBPRGKRZSA-N 0 0 322.455 3.161 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000410072645 434632529 /nfs/dbraw/zinc/63/25/29/434632529.db2.gz PPYLVOOBANINEO-FQEVSTJZSA-N 0 0 323.436 3.141 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)CCOC ZINC000439390429 434597368 /nfs/dbraw/zinc/59/73/68/434597368.db2.gz ZCYVXIASZPZYAJ-HNNXBMFYSA-N 0 0 320.433 3.057 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1CCCC12CCC2 ZINC000369737536 434598336 /nfs/dbraw/zinc/59/83/36/434598336.db2.gz TWLXNUWUUMQVKQ-UHFFFAOYSA-N 0 0 302.349 3.388 10 30 DGEERN C=CCC1(c2nc(COc3ccc(F)cc3)no2)CCOCC1 ZINC000424218981 434659035 /nfs/dbraw/zinc/65/90/35/434659035.db2.gz YMBQEORCAHCEJL-UHFFFAOYSA-N 0 0 318.348 3.412 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCCO[C@H](C)C1 ZINC000424230987 434663503 /nfs/dbraw/zinc/66/35/03/434663503.db2.gz APUXPGYKBODJJQ-KGLIPLIRSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)C[C@@H]1CCCO1 ZINC000424232376 434664024 /nfs/dbraw/zinc/66/40/24/434664024.db2.gz BYZSBGVQWILLHG-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(OC)CC1 ZINC000424238811 434664733 /nfs/dbraw/zinc/66/47/33/434664733.db2.gz HALHDJNDEWWOEF-CQSZACIVSA-N 0 0 322.478 3.038 10 30 DGEERN Cc1cnc(OC(C)C)c(NC(=O)c2sccc2C#N)c1 ZINC000452669159 434674634 /nfs/dbraw/zinc/67/46/34/434674634.db2.gz KXBKYLBIVTUVKI-UHFFFAOYSA-N 0 0 301.371 3.363 10 30 DGEERN C=CCC1(C(=O)NCCO[C@H]2CCCC[C@H]2C)CCOCC1 ZINC000424586593 434750134 /nfs/dbraw/zinc/75/01/34/434750134.db2.gz FOZUGPHFBVAVIW-CVEARBPZSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000452892336 434751263 /nfs/dbraw/zinc/75/12/63/434751263.db2.gz OVLKJNZNGVGKNW-MAUKXSAKSA-N 0 0 317.429 3.432 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC000424596654 434752608 /nfs/dbraw/zinc/75/26/08/434752608.db2.gz PDBJSSGUPGOWQR-UONOGXRCSA-N 0 0 304.365 3.069 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)CCCc1ncc(C)o1 ZINC000411059966 434707433 /nfs/dbraw/zinc/70/74/33/434707433.db2.gz WAHANLJFEFIRRA-UHFFFAOYSA-N 0 0 311.341 3.019 10 30 DGEERN C=CCCn1cc(-c2nc(C[C@H](C)c3ccccc3)no2)nn1 ZINC000424348530 434707580 /nfs/dbraw/zinc/70/75/80/434707580.db2.gz OVWRTQFCZVERME-ZDUSSCGKSA-N 0 0 309.373 3.250 10 30 DGEERN C=CCC1(c2nc(-c3ccc(SC)cn3)no2)CCOCC1 ZINC000424363120 434712249 /nfs/dbraw/zinc/71/22/49/434712249.db2.gz ORNZLLJKCFMDSN-UHFFFAOYSA-N 0 0 317.414 3.478 10 30 DGEERN C=CC(C)(C)CNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000452782411 434713945 /nfs/dbraw/zinc/71/39/45/434713945.db2.gz JGMIRVYHYFOOFC-LBPRGKRZSA-N 0 0 308.447 3.288 10 30 DGEERN Cc1nc(NCC2CCC(C#N)CC2)ccc1Br ZINC000440639628 434728484 /nfs/dbraw/zinc/72/84/84/434728484.db2.gz SVPRJOIEDIFNJJ-UHFFFAOYSA-N 0 0 308.223 3.894 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccc(OCC)cc2)CCOCC1 ZINC000424536653 434735573 /nfs/dbraw/zinc/73/55/73/434735573.db2.gz OWBBTEAXWPSGQN-UHFFFAOYSA-N 0 0 317.429 3.417 10 30 DGEERN C=CCN(CC=C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000411166019 434736033 /nfs/dbraw/zinc/73/60/33/434736033.db2.gz RPTMRZQFCSDNRP-AWEZNQCLSA-N 0 0 302.443 3.188 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CCOCC1 ZINC000424545116 434737439 /nfs/dbraw/zinc/73/74/39/434737439.db2.gz PYOYXEQLBZFODE-CYBMUJFWSA-N 0 0 321.392 3.384 10 30 DGEERN C=CCN(C(=O)[C@H](C)C1CCC1)c1nc(C(=O)OCC)cs1 ZINC000460029547 434739650 /nfs/dbraw/zinc/73/96/50/434739650.db2.gz BUHZBMJHHPKBRU-LLVKDONJSA-N 0 0 322.430 3.275 10 30 DGEERN C=CC[C@H](C)NC(=O)c1c(C)ccc(Br)c1OC ZINC000424669703 434774667 /nfs/dbraw/zinc/77/46/67/434774667.db2.gz CYFSIKLQQRIBSQ-JTQLQIEISA-N 0 0 312.207 3.461 10 30 DGEERN COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(C)n1 ZINC000443466110 434778020 /nfs/dbraw/zinc/77/80/20/434778020.db2.gz YRACDHOXJPIWJN-UHFFFAOYSA-N 0 0 301.371 3.201 10 30 DGEERN C=CCC1(C(=O)N2CCc3c(F)ccc(F)c3C2)CCOCC1 ZINC000424706856 434784754 /nfs/dbraw/zinc/78/47/54/434784754.db2.gz BRMBLEFWBCVOLK-UHFFFAOYSA-N 0 0 321.367 3.222 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@H](c3ccsc3)C2)CCOCC1 ZINC000424712265 434785882 /nfs/dbraw/zinc/78/58/82/434785882.db2.gz AQBFYDLIJRUSSG-HNNXBMFYSA-N 0 0 321.442 3.021 10 30 DGEERN C=CC[C@@H]1N(C(=O)Nc2ncn(C(C)(C)C)n2)CCCC1(C)C ZINC000445107164 434789638 /nfs/dbraw/zinc/78/96/38/434789638.db2.gz IZVDUXPKULBGLZ-ZDUSSCGKSA-N 0 0 319.453 3.632 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](c2cccnc2)C(C)C)CCOCC1 ZINC000424698720 434782802 /nfs/dbraw/zinc/78/28/02/434782802.db2.gz AWZVXFSTJCHOFQ-QGZVFWFLSA-N 0 0 316.445 3.310 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000372104471 434799070 /nfs/dbraw/zinc/79/90/70/434799070.db2.gz YJIGQPLFIPMAMD-ZDUSSCGKSA-N 0 0 308.385 3.167 10 30 DGEERN C=CCCn1cc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)nn1 ZINC000424772213 434800203 /nfs/dbraw/zinc/80/02/03/434800203.db2.gz DLJRZTMTEZTKJJ-INIZCTEOSA-N 0 0 324.428 3.101 10 30 DGEERN C=CCC1(C(=O)NCC[C@@H](OC)C(CC)CC)CCOCC1 ZINC000424734298 434791813 /nfs/dbraw/zinc/79/18/13/434791813.db2.gz JQCKCDCCJKUWRA-MRXNPFEDSA-N 0 0 311.466 3.317 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@H](C(C)C)C2)cc1OC ZINC000446396714 434861202 /nfs/dbraw/zinc/86/12/02/434861202.db2.gz LQBVFYKUCYFOEJ-HNNXBMFYSA-N 0 0 303.402 3.378 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CCOCC1 ZINC000424798146 434804894 /nfs/dbraw/zinc/80/48/94/434804894.db2.gz XONVZACZODJEIM-HOTGVXAUSA-N 0 0 309.450 3.069 10 30 DGEERN N#CC1(c2nc(-c3ccc(OC(F)F)cn3)no2)CCCCC1 ZINC000445500762 434807163 /nfs/dbraw/zinc/80/71/63/434807163.db2.gz DLKYGUSFFBCBGG-UHFFFAOYSA-N 0 0 320.299 3.458 10 30 DGEERN C=CCC1(C(=O)N2CCC(c3ccncc3)CC2)CCOCC1 ZINC000424816416 434809146 /nfs/dbraw/zinc/80/91/46/434809146.db2.gz ZTQWIYQJIHLUIT-UHFFFAOYSA-N 0 0 314.429 3.161 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)nn1 ZINC000424847466 434815706 /nfs/dbraw/zinc/81/57/06/434815706.db2.gz NJVJIGTZZBVWSU-INIZCTEOSA-N 0 0 323.400 3.019 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000424902026 434827133 /nfs/dbraw/zinc/82/71/33/434827133.db2.gz HPARCUSYUYUHNE-IPYPFGDCSA-N 0 0 323.820 3.123 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000424926575 434829551 /nfs/dbraw/zinc/82/95/51/434829551.db2.gz TUTYMUOGNAMMJQ-HOCLYGCPSA-N 0 0 319.832 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000424933673 434830169 /nfs/dbraw/zinc/83/01/69/434830169.db2.gz ROHMPNAKUIRFBC-HOCLYGCPSA-N 0 0 319.832 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000424934501 434830202 /nfs/dbraw/zinc/83/02/02/434830202.db2.gz VNOUFIYJEYTXDB-GWCFXTLKSA-N 0 0 317.282 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000424932263 434830219 /nfs/dbraw/zinc/83/02/19/434830219.db2.gz MJMBTBFHEOKEPU-XIRDDKMYSA-N 0 0 305.393 3.273 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)cc1Br ZINC000424934336 434830228 /nfs/dbraw/zinc/83/02/28/434830228.db2.gz USZSONLOEWLXAM-FZMZJTMJSA-N 0 0 324.218 3.078 10 30 DGEERN C=C(C)COc1cccc(N2C(=O)N[C@H](CC=CC)C2=O)c1 ZINC000445951995 434840184 /nfs/dbraw/zinc/84/01/84/434840184.db2.gz GQCJJVLTIPHPSH-FOSCPCJNSA-N 0 0 300.358 3.033 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(C)cc1C ZINC000521810018 434895401 /nfs/dbraw/zinc/89/54/01/434895401.db2.gz NPKSEWSZAFUMKY-UHFFFAOYSA-N 0 0 301.308 3.259 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc(Cl)c(C)c1 ZINC000462452791 434913666 /nfs/dbraw/zinc/91/36/66/434913666.db2.gz ARDXADAEZQMHTE-GDBMZVCRSA-N 0 0 307.821 3.288 10 30 DGEERN CC#CCCNC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000555146303 434962525 /nfs/dbraw/zinc/96/25/25/434962525.db2.gz GWBFLNSMUCNBRU-LBPRGKRZSA-N 0 0 302.340 3.164 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000574272270 434963569 /nfs/dbraw/zinc/96/35/69/434963569.db2.gz NUTCYPNKTUWGOT-SZMVWBNQSA-N 0 0 314.429 3.336 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H](c2nc(C)no2)C1 ZINC000574287632 434966642 /nfs/dbraw/zinc/96/66/42/434966642.db2.gz HYDYGISCXPLESV-CQSZACIVSA-N 0 0 306.410 3.013 10 30 DGEERN C=CCCOCCNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000463594194 434966893 /nfs/dbraw/zinc/96/68/93/434966893.db2.gz SQRGDVRRMLLSLS-UHFFFAOYSA-N 0 0 315.335 3.347 10 30 DGEERN C=CCN(C(=O)C(CC)CC)c1nc(C(=O)OCC)cs1 ZINC000463579350 434966951 /nfs/dbraw/zinc/96/69/51/434966951.db2.gz XVBCCYLYNAMMQR-UHFFFAOYSA-N 0 0 310.419 3.275 10 30 DGEERN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCOC ZINC000555244431 434966963 /nfs/dbraw/zinc/96/69/63/434966963.db2.gz 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/nfs/dbraw/zinc/03/53/47/435035347.db2.gz CUMVDZYCAAPAJI-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1F ZINC000575390767 435035463 /nfs/dbraw/zinc/03/54/63/435035463.db2.gz YSYRCIXPFAUKQS-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(SC(F)(F)F)c1F ZINC000575390723 435035510 /nfs/dbraw/zinc/03/55/10/435035510.db2.gz URGUBFJTRCORDE-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(F)c1SC(F)(F)F ZINC000575390775 435035624 /nfs/dbraw/zinc/03/56/24/435035624.db2.gz ZUQBVSUKKSKIGS-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C#N)cc1OC ZINC000575394579 435035843 /nfs/dbraw/zinc/03/58/43/435035843.db2.gz KQERDAOUTZNGQX-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000529524078 435037020 /nfs/dbraw/zinc/03/70/20/435037020.db2.gz KOOMFEGDFSDMMB-OKILXGFUSA-N 0 0 311.385 3.312 10 30 DGEERN Cc1cc(CC#N)cc(I)c1OC(F)F ZINC000575663723 435040699 /nfs/dbraw/zinc/04/06/99/435040699.db2.gz KAPCKUXZXZWPKM-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(OC(F)F)cc(I)c1CC#N ZINC000575663860 435040794 /nfs/dbraw/zinc/04/07/94/435040794.db2.gz PFDFCTZDSYSSKL-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1cc(C#N)c(I)cc1OC(F)F ZINC000575664435 435040867 /nfs/dbraw/zinc/04/08/67/435040867.db2.gz ZPVISPGEUMKHQX-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCOc1cc(I)c(C#N)c(CC)c1 ZINC000575670015 435041716 /nfs/dbraw/zinc/04/17/16/435041716.db2.gz CRTVDHAPARXBGZ-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN CCOc1cc(I)c(CC)cc1C#N ZINC000575670980 435042001 /nfs/dbraw/zinc/04/20/01/435042001.db2.gz RJFNNWDHJDCYEJ-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#CCc1cc(F)cc(C(F)F)c1I ZINC000575667414 435042148 /nfs/dbraw/zinc/04/21/48/435042148.db2.gz KMLNVXPIZXJEPU-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#CCc1c(Br)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575684179 435044185 /nfs/dbraw/zinc/04/41/85/435044185.db2.gz DZXHLFDTBUXKHS-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1c(Br)c(Br)ccc1[N+](=O)[O-] ZINC000575694334 435045392 /nfs/dbraw/zinc/04/53/92/435045392.db2.gz IXADLKYVWTZDHU-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN Cc1cc(I)cc(C#N)c1Br ZINC000575693442 435045529 /nfs/dbraw/zinc/04/55/29/435045529.db2.gz VHORQFCFPSXENK-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CC(C)c1ccc(OCCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530669121 435046615 /nfs/dbraw/zinc/04/66/15/435046615.db2.gz VZHPYURLQXNSTI-UHFFFAOYSA-N 0 0 322.408 3.419 10 30 DGEERN COc1cc(CC#N)c(I)c(SC)c1 ZINC000575709326 435049387 /nfs/dbraw/zinc/04/93/87/435049387.db2.gz VFQUZFUBDCNLCH-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@H](C)C1 ZINC000575867831 435053075 /nfs/dbraw/zinc/05/30/75/435053075.db2.gz BQOBCTQGKRDJBO-NSHDSACASA-N 0 0 303.435 3.132 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCCC[C@H](C)C1 ZINC000558452812 435092404 /nfs/dbraw/zinc/09/24/04/435092404.db2.gz PVAZBMZLGREKKB-AWEZNQCLSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCN(C(=O)[C@H](C)CC(=C)C)c1nc(C(=O)OCC)cs1 ZINC000466862692 435096593 /nfs/dbraw/zinc/09/65/93/435096593.db2.gz WKFFLMCSNQANBC-GFCCVEGCSA-N 0 0 322.430 3.441 10 30 DGEERN CCCCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 ZINC000558923117 435115797 /nfs/dbraw/zinc/11/57/97/435115797.db2.gz SUEYBUOPSVKFBO-HNNXBMFYSA-N 0 0 311.433 3.265 10 30 DGEERN C=CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1 ZINC000467372956 435117887 /nfs/dbraw/zinc/11/78/87/435117887.db2.gz HSVCTODTFPXBIN-JQHSSLGASA-N 0 0 315.413 3.025 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC000558984356 435117953 /nfs/dbraw/zinc/11/79/53/435117953.db2.gz TZYXAACDNMQFOA-GJZGRUSLSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCN1CC[C@@H](N(C)Cc2ccc(C(C)(C)C)s2)C1=O ZINC000467518048 435124177 /nfs/dbraw/zinc/12/41/77/435124177.db2.gz ZNMCMEGDELRJQF-CQSZACIVSA-N 0 0 306.475 3.264 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000532658312 435184660 /nfs/dbraw/zinc/18/46/60/435184660.db2.gz 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435281010 /nfs/dbraw/zinc/28/10/10/435281010.db2.gz VZVGZKYPRVROGU-INWMFGNUSA-N 0 0 306.381 3.085 10 30 DGEERN C=CCn1c(C)cc(C(=O)COc2cnn(C(C)C)c2)c1C ZINC000566476577 435286479 /nfs/dbraw/zinc/28/64/79/435286479.db2.gz ATILTTYRWBRAEJ-UHFFFAOYSA-N 0 0 301.390 3.330 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@@H](C)C(=O)Cc1ccccc1 ZINC000535650488 435340399 /nfs/dbraw/zinc/34/03/99/435340399.db2.gz LRVPOVIFIRQUPS-HNNXBMFYSA-N 0 0 323.392 3.182 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cnc(C)nc1N ZINC000613901467 435360471 /nfs/dbraw/zinc/36/04/71/435360471.db2.gz QSRUQUNZPDQPFO-UHFFFAOYSA-N 0 0 310.401 3.471 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000568223721 435410971 /nfs/dbraw/zinc/41/09/71/435410971.db2.gz UABQPXSQKQWVEC-UHFFFAOYSA-N 0 0 302.296 3.282 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1C[C@H]1C ZINC000481230209 435414340 /nfs/dbraw/zinc/41/43/40/435414340.db2.gz OTRQWLHRXPTDPI-GDBMZVCRSA-N 0 0 304.438 3.208 10 30 DGEERN C=C(C)CN(C)Cc1cc(Br)ccc1C(=O)OC ZINC000514236203 435416530 /nfs/dbraw/zinc/41/65/30/435416530.db2.gz PAVHHYGWLAXRCW-UHFFFAOYSA-N 0 0 312.207 3.244 10 30 DGEERN C=CCCOCCNC(=O)COc1cc(C(C)C)ccc1C ZINC000536060853 435370660 /nfs/dbraw/zinc/37/06/60/435370660.db2.gz WUVKCTZRUIYSNT-UHFFFAOYSA-N 0 0 305.418 3.206 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@](C)(O)C1CCCCC1 ZINC000481358580 435422950 /nfs/dbraw/zinc/42/29/50/435422950.db2.gz LFVSLFFDXFPANN-IBGZPJMESA-N 0 0 317.429 3.313 10 30 DGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1c(C#N)nnc2ccccc21 ZINC000480554763 435383778 /nfs/dbraw/zinc/38/37/78/435383778.db2.gz MTDSXYHWJCXLKX-KOLCDFICSA-N 0 0 306.291 3.279 10 30 DGEERN C=CCC1(C(=O)NC[C@]2(C)COc3ccccc3O2)CCC1 ZINC000628324458 435397785 /nfs/dbraw/zinc/39/77/85/435397785.db2.gz UUCBULNGWTWVSI-QGZVFWFLSA-N 0 0 301.386 3.079 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000515064596 435461441 /nfs/dbraw/zinc/46/14/41/435461441.db2.gz VFWOMJAIABMYCG-WOSRLPQWSA-N 0 0 308.397 3.292 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000515355458 435478659 /nfs/dbraw/zinc/47/86/59/435478659.db2.gz VNUWBKYLDWEYJI-CHWSQXEVSA-N 0 0 307.442 3.425 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000538282744 435490711 /nfs/dbraw/zinc/49/07/11/435490711.db2.gz NDFKZTSFEWQAIV-NSHDSACASA-N 0 0 312.822 3.235 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C)cc2c(C)ccnc12 ZINC000570139267 435592108 /nfs/dbraw/zinc/59/21/08/435592108.db2.gz FJLJKCSRZOCIFH-SJORKVTESA-N 0 0 310.397 3.315 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000485464527 435569626 /nfs/dbraw/zinc/56/96/26/435569626.db2.gz INGZILYCFOXDQE-IAGOWNOFSA-N 0 0 301.430 3.353 10 30 DGEERN CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 ZINC000517180685 435580394 /nfs/dbraw/zinc/58/03/94/435580394.db2.gz DGRIUCLFXRALJJ-HNNXBMFYSA-N 0 0 311.433 3.121 10 30 DGEERN C=CCOCCN1CCc2cc(Br)cc(C)c2C1 ZINC000517399196 435592594 /nfs/dbraw/zinc/59/25/94/435592594.db2.gz YJBGBZVCWBAWKE-UHFFFAOYSA-N 0 0 310.235 3.318 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(CC)nc2ccccc21 ZINC000486126689 435590697 /nfs/dbraw/zinc/59/06/97/435590697.db2.gz KTWGWJOIXYXRFN-CRAIPNDOSA-N 0 0 310.397 3.139 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000539289554 435544344 /nfs/dbraw/zinc/54/43/44/435544344.db2.gz NMLSEPPDJZMIFJ-UONOGXRCSA-N 0 0 310.463 3.319 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccc(CC)cc1)C(C)C ZINC000540697962 435615005 /nfs/dbraw/zinc/61/50/05/435615005.db2.gz NMSHENXWSDNCQH-IRXDYDNUSA-N 0 0 304.434 3.182 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC000570742991 435646781 /nfs/dbraw/zinc/64/67/81/435646781.db2.gz OXOLKRIUNNEWHH-QFBILLFUSA-N 0 0 318.436 3.370 10 30 DGEERN C=C(C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000490047103 435653689 /nfs/dbraw/zinc/65/36/89/435653689.db2.gz XBSLACQTXQAYSG-ZDUSSCGKSA-N 0 0 317.389 3.137 10 30 DGEERN C=CCN(CC=C)C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000490454118 435656184 /nfs/dbraw/zinc/65/61/84/435656184.db2.gz UACIWKLBWFAJBE-UHFFFAOYSA-N 0 0 318.327 3.019 10 30 DGEERN C=CCCCN[C@H](C(=O)OC)c1ccccc1C(F)(F)F ZINC000570882612 435658419 /nfs/dbraw/zinc/65/84/19/435658419.db2.gz HEFCOUJZCVUIHI-ZDUSSCGKSA-N 0 0 301.308 3.475 10 30 DGEERN C=CCn1c(SCC(=O)c2ccccc2O)nnc1C1CC1 ZINC000518988468 435664379 /nfs/dbraw/zinc/66/43/79/435664379.db2.gz ZUTUEBGIMWYHOI-UHFFFAOYSA-N 0 0 315.398 3.022 10 30 DGEERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000173213316 300060080 /nfs/dbraw/zinc/06/00/80/300060080.db2.gz HJWGYVOLUKIWRH-QWRGUYRKSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCN(C)C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000490936497 435690572 /nfs/dbraw/zinc/69/05/72/435690572.db2.gz AVKYBLUYYAVJHH-UHFFFAOYSA-N 0 0 308.425 3.333 10 30 DGEERN C=C(C)COCCNC(=O)c1cc2cccc(F)c2nc1C ZINC000520235307 435729992 /nfs/dbraw/zinc/72/99/92/435729992.db2.gz XEFTXLDMAINEKK-UHFFFAOYSA-N 0 0 302.349 3.005 10 30 DGEERN C[C@H](CO)[C@H](C)Nc1c(Br)cc(Cl)cc1C#N ZINC000519847751 435713081 /nfs/dbraw/zinc/71/30/81/435713081.db2.gz ZTTPHQCEDAFHLB-SFYZADRCSA-N 0 0 317.614 3.403 10 30 DGEERN Cc1cc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c(C)s1 ZINC000104765587 301378724 /nfs/dbraw/zinc/37/87/24/301378724.db2.gz BHFUHZACDTWUOG-UHFFFAOYSA-N 0 0 314.476 3.315 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1c1cn[nH]c1 ZINC000174998916 303189425 /nfs/dbraw/zinc/18/94/25/303189425.db2.gz DAIXTRDDEYUIFS-LBPRGKRZSA-N 0 0 321.306 3.427 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CCCOCC1 ZINC000328641315 303514294 /nfs/dbraw/zinc/51/42/94/303514294.db2.gz DBSOUASQYSXSPG-OWCLPIDISA-N 0 0 304.390 3.075 10 30 DGEERN N#Cc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)nc1 ZINC000132475252 312643483 /nfs/dbraw/zinc/64/34/83/312643483.db2.gz FOGMJAUVIRVSMA-UHFFFAOYSA-N 0 0 301.296 3.193 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(C#N)c(C)n3)c21 ZINC000171345684 312717531 /nfs/dbraw/zinc/71/75/31/312717531.db2.gz MSOACMZRCYJPQW-UHFFFAOYSA-N 0 0 318.380 3.024 10 30 DGEERN N#Cc1csc(CNC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000177693680 312782623 /nfs/dbraw/zinc/78/26/23/312782623.db2.gz BMDRJECTQCVITQ-UHFFFAOYSA-N 0 0 314.414 3.439 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000542810825 314100192 /nfs/dbraw/zinc/10/01/92/314100192.db2.gz ZKIQWKPLVSJPRW-UHFFFAOYSA-N 0 0 305.259 3.153 10 30 DGEERN N#Cc1cccc(Cc2nc(C3Cc4ccccc4C3)no2)c1 ZINC000544557285 314198406 /nfs/dbraw/zinc/19/84/06/314198406.db2.gz DCMVTMKMMHEKNS-UHFFFAOYSA-N 0 0 301.349 3.414 10 30 DGEERN N#Cc1cnccc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000547824886 314399411 /nfs/dbraw/zinc/39/94/11/314399411.db2.gz UTVCYSFTUFNJSK-INIZCTEOSA-N 0 0 317.751 3.324 10 30 DGEERN N#Cc1cnccc1NCCc1nc2cc(Cl)ccc2s1 ZINC000548162451 314428373 /nfs/dbraw/zinc/42/83/73/314428373.db2.gz FUVUCJMFPUWZGN-UHFFFAOYSA-N 0 0 314.801 3.293 10 30 DGEERN COc1nc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2s1 ZINC000552220726 314604789 /nfs/dbraw/zinc/60/47/89/314604789.db2.gz HXQQYLOVJFUZPK-UHFFFAOYSA-N 0 0 323.377 3.358 10 30 DGEERN CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1nc(C)cc(C#N)n1 ZINC000553517763 314647082 /nfs/dbraw/zinc/64/70/82/314647082.db2.gz ZKTUEKCQKJBADW-IAQYHMDHSA-N 0 0 316.792 3.498 10 30 DGEERN N#Cc1c(N2C[C@H]3CCCC[C@@H]3C2)nc2cc(Cl)ccn12 ZINC000561235713 314960138 /nfs/dbraw/zinc/96/01/38/314960138.db2.gz JHDQRAGVLRSPSY-VXGBXAGGSA-N 0 0 300.793 3.486 10 30 DGEERN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000562884513 315059318 /nfs/dbraw/zinc/05/93/18/315059318.db2.gz HMXAHQFRSGMDTA-XHDPSFHLSA-N 0 0 306.381 3.468 10 30 DGEERN Cc1nn(C)c(C)c1CCCNc1ncc(C#N)cc1Cl ZINC000180900903 323240578 /nfs/dbraw/zinc/24/05/78/323240578.db2.gz BYYWTKXJMXPRFB-UHFFFAOYSA-N 0 0 303.797 3.002 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000181995291 323278929 /nfs/dbraw/zinc/27/89/29/323278929.db2.gz NGDYEMDTGKYJRB-UHFFFAOYSA-N 0 0 322.393 3.196 10 30 DGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188042956 323421056 /nfs/dbraw/zinc/42/10/56/323421056.db2.gz DKVYIGJAXFXWJP-JKSUJKDBSA-N 0 0 314.454 3.380 10 30 DGEERN COc1cc(CNc2cccc(N3CCOCC3)c2)ccc1C#N ZINC000581467384 324119756 /nfs/dbraw/zinc/11/97/56/324119756.db2.gz RXQSWWAPSYPCRK-UHFFFAOYSA-N 0 0 323.396 3.016 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000517748546 331521270 /nfs/dbraw/zinc/52/12/70/331521270.db2.gz MNGPAZZGPGIQGR-OEFHRGAISA-N 0 0 306.450 3.092 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000186164479 332915928 /nfs/dbraw/zinc/91/59/28/332915928.db2.gz YABGOAOOIVDIPG-NVXWUHKLSA-N 0 0 316.445 3.123 10 30 DGEERN C=CCn1c(CC)nnc1N1CCC(OCC2CCCC2)CC1 ZINC000558672998 331933740 /nfs/dbraw/zinc/93/37/40/331933740.db2.gz YPKPIAYAWPBSAK-UHFFFAOYSA-N 0 0 318.465 3.202 10 30 DGEERN CC(C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC000558903602 331956245 /nfs/dbraw/zinc/95/62/45/331956245.db2.gz CEKLLILSHYERPZ-UHFFFAOYSA-N 0 0 309.417 3.190 10 30 DGEERN CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 ZINC000558926906 331958994 /nfs/dbraw/zinc/95/89/94/331958994.db2.gz OONCZDYYMXDXHV-LSDHHAIUSA-N 0 0 311.433 3.436 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518468685 332058243 /nfs/dbraw/zinc/05/82/43/332058243.db2.gz KDDDSCWQWIZSCC-JTQLQIEISA-N 0 0 316.279 3.275 10 30 DGEERN Cn1cc(C(=O)Nc2cc(CC#N)ccn2)c2cc(F)ccc21 ZINC000559391743 332255520 /nfs/dbraw/zinc/25/55/20/332255520.db2.gz LGNTUIYOYFXZJV-UHFFFAOYSA-N 0 0 308.316 3.031 10 30 DGEERN C=C(C)[C@@H](NCC(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187764323 332346116 /nfs/dbraw/zinc/34/61/16/332346116.db2.gz KFOWDVUAYAYOQF-MRXNPFEDSA-N 0 0 310.388 3.476 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000425587048 335107430 /nfs/dbraw/zinc/10/74/30/335107430.db2.gz RMDHKIBGUWKEFU-XIRDDKMYSA-N 0 0 318.417 3.037 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(COCCOC)cc1 ZINC000293494202 335110726 /nfs/dbraw/zinc/11/07/26/335110726.db2.gz YNNNPLZWDFAWJJ-HNNXBMFYSA-N 0 0 305.418 3.068 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000569839168 332684494 /nfs/dbraw/zinc/68/44/94/332684494.db2.gz DKPLXOXFFDAFBZ-SZMVWBNQSA-N 0 0 316.445 3.125 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)C[C@H]1C ZINC000580132481 332952829 /nfs/dbraw/zinc/95/28/29/332952829.db2.gz OQXPMJRZJNPRRU-VBQJREDUSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)c1nnc(CCC(C)C)n1C ZINC000580246947 333040545 /nfs/dbraw/zinc/04/05/45/333040545.db2.gz VMZWZHISSWGWCG-UHFFFAOYSA-N 0 0 323.444 3.468 10 30 DGEERN N#CC[C@@H]1CC[C@H]([NH2+]Cc2ncc(Br)s2)C1 ZINC000378860705 333057861 /nfs/dbraw/zinc/05/78/61/333057861.db2.gz PKIHLXSGHONZJD-IUCAKERBSA-N 0 0 300.225 3.078 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1COC ZINC000563027268 333073837 /nfs/dbraw/zinc/07/38/37/333073837.db2.gz QGGJNOFNWZYWPY-NHYWBVRUSA-N 0 0 324.808 3.199 10 30 DGEERN C=CC[C@H](C(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000189432198 333086807 /nfs/dbraw/zinc/08/68/07/333086807.db2.gz SVEBFMIOGWVPTM-SFHVURJKSA-N 0 0 323.392 3.449 10 30 DGEERN C=CCCCS(=O)(=O)N1CCc2sc(Cl)cc2C1 ZINC000563058791 333224507 /nfs/dbraw/zinc/22/45/07/333224507.db2.gz NZAKUSVYFQQKQT-UHFFFAOYSA-N 0 0 305.852 3.056 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@@](C)(F)C2)cc1OC ZINC000295679147 335136757 /nfs/dbraw/zinc/13/67/57/335136757.db2.gz XYWDLLXTYVPBPR-QGZVFWFLSA-N 0 0 307.365 3.224 10 30 DGEERN C=CCCCCCNc1cc(C(C)=O)ccc1S(C)(=O)=O ZINC000570986029 333475550 /nfs/dbraw/zinc/47/55/50/333475550.db2.gz YOBDWKRPRJWLLF-UHFFFAOYSA-N 0 0 309.431 3.451 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000563402516 333601181 /nfs/dbraw/zinc/60/11/81/333601181.db2.gz FMJXXEHSNGCDGF-IRXDYDNUSA-N 0 0 320.477 3.278 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000571295216 333710452 /nfs/dbraw/zinc/71/04/52/333710452.db2.gz RVNRIBJYSYJTEM-UHFFFAOYSA-N 0 0 300.402 3.072 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1oc2ccc(OC)cc2c1C ZINC000571315878 333731075 /nfs/dbraw/zinc/73/10/75/333731075.db2.gz PAWRHFUJJZTRGL-WFASDCNBSA-N 0 0 315.369 3.071 10 30 DGEERN C=CC1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 ZINC000110968730 334299163 /nfs/dbraw/zinc/29/91/63/334299163.db2.gz QVCDKNIKAUVAPL-CQSZACIVSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCn1c(N)nnc1SCc1csc(C(C)(C)C)n1 ZINC000032780002 335294700 /nfs/dbraw/zinc/29/47/00/335294700.db2.gz PXOHEINKMDXVEV-UHFFFAOYSA-N 0 0 309.464 3.093 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCOC(C)(C)C ZINC000519927345 335915147 /nfs/dbraw/zinc/91/51/47/335915147.db2.gz BGDRHVUHEOFHQA-UHFFFAOYSA-N 0 0 320.433 3.208 10 30 DGEERN C=CCn1c2ccccc2nc1S[C@@H](C(=O)OC)C1CC1 ZINC000514106346 336361154 /nfs/dbraw/zinc/36/11/54/336361154.db2.gz XOPBBZMKJFUTEO-CQSZACIVSA-N 0 0 302.399 3.266 10 30 DGEERN Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000356971434 336567921 /nfs/dbraw/zinc/56/79/21/336567921.db2.gz KALAUOVNTZEVQZ-UHFFFAOYSA-N 0 0 312.413 3.419 10 30 DGEERN C=CCN(C1CC1)S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000357421819 336584750 /nfs/dbraw/zinc/58/47/50/336584750.db2.gz RDADSYQLIJJKHN-UHFFFAOYSA-N 0 0 303.786 3.127 10 30 DGEERN C=CCN(CCC#N)C(=O)c1cnccc1Oc1ccccc1 ZINC000359441205 336673267 /nfs/dbraw/zinc/67/32/67/336673267.db2.gz GWHPQTRRNGASMZ-UHFFFAOYSA-N 0 0 307.353 3.416 10 30 DGEERN C=CCN(CC=C)c1nnc(CCC(C)C)n1C[C@@H]1CCCO1 ZINC000359460446 336673935 /nfs/dbraw/zinc/67/39/35/336673935.db2.gz CRPRXIVIEJLHJT-INIZCTEOSA-N 0 0 318.465 3.224 10 30 DGEERN N#CCC[C@H](NC(=O)c1cn2ccnc2s1)c1ccccc1 ZINC000188711827 337030137 /nfs/dbraw/zinc/03/01/37/337030137.db2.gz UCDCOJDSVGLZMY-ZDUSSCGKSA-N 0 0 310.382 3.171 10 30 DGEERN CCCCCCC[C@@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177380464 337155650 /nfs/dbraw/zinc/15/56/50/337155650.db2.gz PXDWTWKBHAFUMD-HUUCEWRRSA-N 0 0 321.469 3.409 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000583119576 337243711 /nfs/dbraw/zinc/24/37/11/337243711.db2.gz QKTSHIPAFDLRFM-OAHLLOKOSA-N 0 0 311.385 3.111 10 30 DGEERN C=CCCCCC[NH2+]Cc1c(Br)c(C)nn1C ZINC000583153621 337247013 /nfs/dbraw/zinc/24/70/13/337247013.db2.gz PWQJXGDEPLHXNY-UHFFFAOYSA-N 0 0 300.244 3.327 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000583259574 337292515 /nfs/dbraw/zinc/29/25/15/337292515.db2.gz GDOPUKXEBYABOJ-XIRDDKMYSA-N 0 0 320.408 3.413 10 30 DGEERN C=C(Br)C[C@H](CCC=O)OC(=O)c1ccccc1 ZINC000584640032 337379983 /nfs/dbraw/zinc/37/99/83/337379983.db2.gz FNIXZYDHFIBHNF-ZDUSSCGKSA-N 0 0 311.175 3.490 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(OC)ccc2c1 ZINC000571854578 337579915 /nfs/dbraw/zinc/57/99/15/337579915.db2.gz JMGPQQIPEAKDDP-RHSMWYFYSA-N 0 0 312.369 3.163 10 30 DGEERN N#C[C@H](NC(=O)c1cc2ccccc2cc1OC(F)F)C1CC1 ZINC000161882742 337598952 /nfs/dbraw/zinc/59/89/52/337598952.db2.gz ZVBYAHSUMPQIFY-AWEZNQCLSA-N 0 0 316.307 3.473 10 30 DGEERN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C#N)C2CC2)c1 ZINC000108839503 337842411 /nfs/dbraw/zinc/84/24/11/337842411.db2.gz FJMTZTGXYCEJJZ-XJKSGUPXSA-N 0 0 300.402 3.304 10 30 DGEERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108840506 337842454 /nfs/dbraw/zinc/84/24/54/337842454.db2.gz 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/nfs/dbraw/zinc/02/77/04/340027704.db2.gz LLENYHNVNUXVOU-QWHCGFSZSA-N 0 0 311.303 3.218 10 30 DGEERN C=CCOc1ccccc1-c1nc(-c2ccc(OC)nc2)no1 ZINC000504215409 340143093 /nfs/dbraw/zinc/14/30/93/340143093.db2.gz JJIRVDXIUSNNTC-UHFFFAOYSA-N 0 0 309.325 3.372 10 30 DGEERN CCC(CC)[C@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)CCO1 ZINC000504394796 340146896 /nfs/dbraw/zinc/14/68/96/340146896.db2.gz GLHUKKYVKYKYHT-HZPDHXFCSA-N 0 0 321.465 3.305 10 30 DGEERN C=CCNC(=O)N(CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000507053264 340206246 /nfs/dbraw/zinc/20/62/46/340206246.db2.gz CJKALXDCMAIJFL-AWEZNQCLSA-N 0 0 303.406 3.011 10 30 DGEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC1CC1 ZINC000508813968 340253553 /nfs/dbraw/zinc/25/35/53/340253553.db2.gz RMGHOKIWSDCETK-UHFFFAOYSA-N 0 0 300.381 3.040 10 30 DGEERN C=CCn1c(COc2ccccc2CC)nnc1N(C)CC ZINC000508833709 340253944 /nfs/dbraw/zinc/25/39/44/340253944.db2.gz QMOQGFJURAMTNI-UHFFFAOYSA-N 0 0 300.406 3.062 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(CC)CC1 ZINC000508888806 340255169 /nfs/dbraw/zinc/25/51/69/340255169.db2.gz PONXOWOSSVNJPU-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N(C)CCOC ZINC000508892559 340255296 /nfs/dbraw/zinc/25/52/96/340255296.db2.gz CTTMOPFNEUSUNR-UHFFFAOYSA-N 0 0 306.454 3.060 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000508913082 340255740 /nfs/dbraw/zinc/25/57/40/340255740.db2.gz NSSKVTGETRQDHT-QGZVFWFLSA-N 0 0 324.428 3.055 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCOC2(CCCC2)C1 ZINC000508999304 340257615 /nfs/dbraw/zinc/25/76/15/340257615.db2.gz GSXGZVNUVSVAON-UHFFFAOYSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)CC1CCCC1 ZINC000509003210 340257807 /nfs/dbraw/zinc/25/78/07/340257807.db2.gz VYZBIVZLBUWXRJ-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509203095 340263767 /nfs/dbraw/zinc/26/37/67/340263767.db2.gz NPDRTAVDVIKFPZ-AWEZNQCLSA-N 0 0 311.447 3.335 10 30 DGEERN COc1ccc2sc(C(=O)N[C@@H](C#N)C3CC3)c(C)c2c1 ZINC000173629812 340369310 /nfs/dbraw/zinc/36/93/10/340369310.db2.gz KRFDATYHFCTYFF-ZDUSSCGKSA-N 0 0 300.383 3.250 10 30 DGEERN C=C(CNC(=O)N1CC(OC)(c2ccccc2)C1)c1ccccc1 ZINC000512672167 340372312 /nfs/dbraw/zinc/37/23/12/340372312.db2.gz IUMOQJLMUIUKQK-UHFFFAOYSA-N 0 0 322.408 3.267 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCCCCC ZINC000513601639 340414609 /nfs/dbraw/zinc/41/46/09/340414609.db2.gz XDPDIZWTIXOUJM-UHFFFAOYSA-N 0 0 306.362 3.009 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2cccc(F)c2nc1C ZINC000516930431 340458996 /nfs/dbraw/zinc/45/89/96/340458996.db2.gz OIRHXMBUGLFIIW-BBRMVZONSA-N 0 0 314.360 3.003 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC000517123603 340464319 /nfs/dbraw/zinc/46/43/19/340464319.db2.gz ULMYJZLABZYKTL-AVGNSLFASA-N 0 0 324.519 3.362 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC1(C(=O)N(CC)CC)CCCCC1 ZINC000185459571 340501246 /nfs/dbraw/zinc/50/12/46/340501246.db2.gz JRJRPYNZWFMNPS-HNNXBMFYSA-N 0 0 308.466 3.276 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCC(=O)OC)c1ccccc1C ZINC000186147553 340508758 /nfs/dbraw/zinc/50/87/58/340508758.db2.gz MRCVTZAHLRKTDC-OAHLLOKOSA-N 0 0 303.402 3.493 10 30 DGEERN Fc1cccc([C@H](NCCOCC(F)F)C(F)(F)F)c1F ZINC000189923996 340541148 /nfs/dbraw/zinc/54/11/48/340541148.db2.gz ZTPNFRPTOUDRIK-NSHDSACASA-N 0 0 319.220 3.440 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)OC)cc1N(C)C ZINC000190184691 340543344 /nfs/dbraw/zinc/54/33/44/340543344.db2.gz WULOQIODCUNIJO-GFCCVEGCSA-N 0 0 304.390 3.080 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cc(C)n([C@H]2CCOC2)c1C ZINC000529201707 340748316 /nfs/dbraw/zinc/74/83/16/340748316.db2.gz ZXLBIORHERCFPO-CVEARBPZSA-N 0 0 302.418 3.247 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C)nn1CC ZINC000530138265 340780657 /nfs/dbraw/zinc/78/06/57/340780657.db2.gz SHIJFIQGQPXDSV-UHFFFAOYSA-N 0 0 315.373 3.037 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000126521530 340828069 /nfs/dbraw/zinc/82/80/69/340828069.db2.gz IRKFYWZGYRTVOF-YPMHNXCESA-N 0 0 300.324 3.424 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000539289553 340879530 /nfs/dbraw/zinc/87/95/30/340879530.db2.gz NMLSEPPDJZMIFJ-KGLIPLIRSA-N 0 0 310.463 3.319 10 30 DGEERN C=CCCOCCCCC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000539367606 340882552 /nfs/dbraw/zinc/88/25/52/340882552.db2.gz KTYZQARIHGCUKG-GOSISDBHSA-N 0 0 301.430 3.423 10 30 DGEERN C=CCN1CC[C@@H](Nc2c(F)cc(Cl)c(C)c2F)C1=O ZINC000539711398 340896778 /nfs/dbraw/zinc/89/67/78/340896778.db2.gz LXTOHWYQHQHDHT-LLVKDONJSA-N 0 0 300.736 3.125 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000128614321 340900279 /nfs/dbraw/zinc/90/02/79/340900279.db2.gz YYAMQHKTYIYOCA-HNNXBMFYSA-N 0 0 313.445 3.045 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C ZINC000540697961 340941964 /nfs/dbraw/zinc/94/19/64/340941964.db2.gz NMSHENXWSDNCQH-IAGOWNOFSA-N 0 0 304.434 3.182 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000129211930 340951111 /nfs/dbraw/zinc/95/11/11/340951111.db2.gz CEHDMUKTLNZTSL-MRXNPFEDSA-N 0 0 316.792 3.194 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543675999 341053447 /nfs/dbraw/zinc/05/34/47/341053447.db2.gz LMAQAVRAGOGVQF-JKSUJKDBSA-N 0 0 317.429 3.121 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000544004134 341065884 /nfs/dbraw/zinc/06/58/84/341065884.db2.gz WNYFWOWIXADPDP-WKILWMFISA-N 0 0 302.418 3.133 10 30 DGEERN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000131391848 341084292 /nfs/dbraw/zinc/08/42/92/341084292.db2.gz UPHMIGNFJVKZQO-OLZOCXBDSA-N 0 0 324.421 3.115 10 30 DGEERN CC#CCCNC(=O)c1c[nH]c2cccc(Br)c21 ZINC000544580626 341087035 /nfs/dbraw/zinc/08/70/35/341087035.db2.gz BQUUHGUZZKIELJ-UHFFFAOYSA-N 0 0 305.175 3.074 10 30 DGEERN C[C@H](Nc1ccc(CC#N)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000072711626 341100456 /nfs/dbraw/zinc/10/04/56/341100456.db2.gz XFGGHGWJVDTFTK-GJZGRUSLSA-N 0 0 307.397 3.430 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000545230547 341115921 /nfs/dbraw/zinc/11/59/21/341115921.db2.gz CLYFXSONVBWJCT-ZDUSSCGKSA-N 0 0 309.431 3.410 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132167748 341117677 /nfs/dbraw/zinc/11/76/77/341117677.db2.gz CWVUNZIHVQKXKA-ZDUSSCGKSA-N 0 0 301.415 3.106 10 30 DGEERN C=C(C)COCCNC(=O)NCc1ccc(Cl)cc1Cl ZINC000135001653 341228390 /nfs/dbraw/zinc/22/83/90/341228390.db2.gz RYLCYRGTYKUXDC-UHFFFAOYSA-N 0 0 317.216 3.385 10 30 DGEERN N#CCC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000547809440 341233739 /nfs/dbraw/zinc/23/37/39/341233739.db2.gz URFZZMVQDRMVKX-UHFFFAOYSA-N 0 0 316.405 3.307 10 30 DGEERN COc1ccc(-c2cnc(CN(CCC#N)CC3CC3)o2)cc1 ZINC000081044336 341278825 /nfs/dbraw/zinc/27/88/25/341278825.db2.gz JIECRJHJMBINLZ-UHFFFAOYSA-N 0 0 311.385 3.476 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(CCC(C)C)c1C ZINC000137898909 341282835 /nfs/dbraw/zinc/28/28/35/341282835.db2.gz OUJSVCQBTWKXNH-UHFFFAOYSA-N 0 0 317.355 3.428 10 30 DGEERN CCn1c(Cc2ccccc2C)nnc1N1CCC(CC#N)CC1 ZINC000549071414 341285363 /nfs/dbraw/zinc/28/53/63/341285363.db2.gz YANACQPHSKNOBN-UHFFFAOYSA-N 0 0 323.444 3.327 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCC(OCC(C)C)CC1 ZINC000549666164 341300134 /nfs/dbraw/zinc/30/01/34/341300134.db2.gz MHOSGQAPCKAPNU-UHFFFAOYSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC000549676175 341300253 /nfs/dbraw/zinc/30/02/53/341300253.db2.gz YXUXXLQNKOXGHU-HZPDHXFCSA-N 0 0 320.481 3.447 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@H](C2CC2)C1 ZINC000549678443 341300429 /nfs/dbraw/zinc/30/04/29/341300429.db2.gz VLPDJJYSLPXNIJ-INIZCTEOSA-N 0 0 318.465 3.058 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000551271648 341336490 /nfs/dbraw/zinc/33/64/90/341336490.db2.gz SNAVJYQGRUMXQD-FUHWJXTLSA-N 0 0 300.402 3.249 10 30 DGEERN C=C(C)CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC000551677892 341348676 /nfs/dbraw/zinc/34/86/76/341348676.db2.gz MWXKLPLEAUIMRH-UHFFFAOYSA-N 0 0 322.836 3.308 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(C)(C#N)CC1 ZINC000564831528 341510936 /nfs/dbraw/zinc/51/09/36/341510936.db2.gz YGBIXGLXUKLDBS-ZDUSSCGKSA-N 0 0 317.462 3.162 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCC(F)(c2ccccn2)CC1)OCC ZINC000566348001 341554728 /nfs/dbraw/zinc/55/47/28/341554728.db2.gz IQMHZMFFLRZVSZ-OAHLLOKOSA-N 0 0 320.408 3.240 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCC(F)(c2ccccn2)CC1)OCC ZINC000566348000 341554789 /nfs/dbraw/zinc/55/47/89/341554789.db2.gz IQMHZMFFLRZVSZ-HNNXBMFYSA-N 0 0 320.408 3.240 10 30 DGEERN CC[C@@]1(C(C)C)NC(=O)N(CC#Cc2ccc(Cl)cc2)C1=O ZINC000154366703 341588520 /nfs/dbraw/zinc/58/85/20/341588520.db2.gz BDEYSPDREDULOR-KRWDZBQOSA-N 0 0 318.804 3.048 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000568187989 341657400 /nfs/dbraw/zinc/65/74/00/341657400.db2.gz UPNDVFRLOPRCBS-UHFFFAOYSA-N 0 0 318.417 3.346 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CSc3ccccc3O2)CCC1 ZINC000576756933 341861707 /nfs/dbraw/zinc/86/17/07/341861707.db2.gz VGXUODNHCJEIJC-CYBMUJFWSA-N 0 0 303.427 3.402 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC[C@@H]1CSc2ccccc2O1)OCC ZINC000580648349 341891848 /nfs/dbraw/zinc/89/18/48/341891848.db2.gz GCVXZUCQAFYKET-UKRRQHHQSA-N 0 0 321.442 3.027 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000450892873 501018137 /nfs/dbraw/zinc/01/81/37/501018137.db2.gz QGNWCRGGJDEQGC-HNNXBMFYSA-N 0 0 321.302 3.104 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)cc1O ZINC000189085558 501030526 /nfs/dbraw/zinc/03/05/26/501030526.db2.gz QARZGOTXJPRRKY-INIZCTEOSA-N 0 0 310.328 3.210 10 30 DGEERN C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000279625737 533737808 /nfs/dbraw/zinc/73/78/08/533737808.db2.gz IDPSBTYGWNETOR-PBHICJAKSA-N 0 0 312.413 3.007 10 30 DGEERN COC(=O)c1cc2ccccc2cc1OC[C@@H](C#N)CCC#N ZINC000119285098 533944392 /nfs/dbraw/zinc/94/43/92/533944392.db2.gz MEXHAKLUBNGHDS-CYBMUJFWSA-N 0 0 308.337 3.449 10 30 DGEERN COc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000187805251 534058942 /nfs/dbraw/zinc/05/89/42/534058942.db2.gz HZDZTFRDOQNQPJ-UHFFFAOYSA-N 0 0 322.364 3.246 10 30 DGEERN COc1ccccc1N1CC[C@@H](CNc2ccc(C)c(C#N)n2)C1 ZINC000302605130 534140037 /nfs/dbraw/zinc/14/00/37/534140037.db2.gz CYKIYCABGSQIKM-HNNXBMFYSA-N 0 0 322.412 3.209 10 30 DGEERN COC(=O)c1ccc(F)c(CNc2ncc(C#N)cc2Cl)c1 ZINC000302142043 534169762 /nfs/dbraw/zinc/16/97/62/534169762.db2.gz FRAMZFRYHADZIV-UHFFFAOYSA-N 0 0 319.723 3.144 10 30 DGEERN C[C@@H](Cc1ccc(O)cc1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188775695 534234295 /nfs/dbraw/zinc/23/42/95/534234295.db2.gz QKTWWGUPCNOXLT-AWEZNQCLSA-N 0 0 320.392 3.043 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOc1ccc(C(C)C)cc1 ZINC000468819786 534358174 /nfs/dbraw/zinc/35/81/74/534358174.db2.gz DDUWEKPENDSXQC-QZTJIDSGSA-N 0 0 317.429 3.286 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000469729689 534358289 /nfs/dbraw/zinc/35/82/89/534358289.db2.gz SGGPLIXUMPKFHB-CZUORRHYSA-N 0 0 319.832 3.469 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(OCC(C)C)c1 ZINC000468853140 534359965 /nfs/dbraw/zinc/35/99/65/534359965.db2.gz FYSHMEKUANACOC-QZTJIDSGSA-N 0 0 317.429 3.319 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000454905672 534367408 /nfs/dbraw/zinc/36/74/08/534367408.db2.gz RKQFALHYICWGQN-UKPHBRMFSA-N 0 0 320.408 3.476 10 30 DGEERN C=C(CC)CNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000455528124 534405904 /nfs/dbraw/zinc/40/59/04/534405904.db2.gz FXNNNGXRUDAMOM-UHFFFAOYSA-N 0 0 305.397 3.014 10 30 DGEERN C=C(CC)CNC(=O)c1cccc(OCc2cscn2)c1 ZINC000456829852 534417554 /nfs/dbraw/zinc/41/75/54/534417554.db2.gz PHRAZXNHTXLXNI-UHFFFAOYSA-N 0 0 302.399 3.418 10 30 DGEERN C=CCc1ccc(OCC(=O)NC(C)(C)C2CCC2)c(OC)c1 ZINC000456152587 534421047 /nfs/dbraw/zinc/42/10/47/534421047.db2.gz XZMWSTDPQWSPFB-UHFFFAOYSA-N 0 0 317.429 3.497 10 30 DGEERN C=CCn1c(SCc2cc[nH]n2)nnc1-c1cccc(C)c1 ZINC000487128236 534444227 /nfs/dbraw/zinc/44/42/27/534444227.db2.gz NZVMINOLBUXKMN-UHFFFAOYSA-N 0 0 311.414 3.455 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C)CC1 ZINC000453432956 534448946 /nfs/dbraw/zinc/44/89/46/534448946.db2.gz CBHANMDUWFRTBE-CABCVRRESA-N 0 0 304.438 3.332 10 30 DGEERN C=CC(C)(C)CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000455370377 534509671 /nfs/dbraw/zinc/50/96/71/534509671.db2.gz QSHJFGNPMACNPY-GOEBONIOSA-N 0 0 302.418 3.370 10 30 DGEERN Cc1oc(-c2ccsc2)nc1CC(=O)NC1(C#N)CCCC1 ZINC000171111848 534532465 /nfs/dbraw/zinc/53/24/65/534532465.db2.gz NJRITDNDPAEOPR-UHFFFAOYSA-N 0 0 315.398 3.207 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000488838350 534555608 /nfs/dbraw/zinc/55/56/08/534555608.db2.gz LZYHFIZAOMHLQY-KBRIMQKVSA-N 0 0 312.413 3.462 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000456629064 534562310 /nfs/dbraw/zinc/56/23/10/534562310.db2.gz AVGUOSBMAUYAKX-ZDUSSCGKSA-N 0 0 318.383 3.097 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000455435630 534566014 /nfs/dbraw/zinc/56/60/14/534566014.db2.gz QKNUIQJHIIFQEP-SOLBZPMBSA-N 0 0 304.434 3.252 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000455435607 534566380 /nfs/dbraw/zinc/56/63/80/534566380.db2.gz QGQILSIOVRBZFK-NXHRZFHOSA-N 0 0 316.445 3.301 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(CC)c(OC)c1 ZINC000455867531 534568020 /nfs/dbraw/zinc/56/80/20/534568020.db2.gz OZIPXDLWJTVMOL-CABCVRRESA-N 0 0 304.390 3.113 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCc3ccccc3F)cc2)CC1 ZINC000182480143 534574386 /nfs/dbraw/zinc/57/43/86/534574386.db2.gz PBACWGIEKUILPU-UHFFFAOYSA-N 0 0 308.356 3.353 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000456265832 534571321 /nfs/dbraw/zinc/57/13/21/534571321.db2.gz OQQPNAVMDLZWDK-KSZLIROESA-N 0 0 315.413 3.044 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000448944937 534576985 /nfs/dbraw/zinc/57/69/85/534576985.db2.gz ULRLYGKZIHAQKV-QGTPRVQTSA-N 0 0 317.429 3.066 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000451244982 534579446 /nfs/dbraw/zinc/57/94/46/534579446.db2.gz SBZIUPFXPFVXNP-RMNLLRHXSA-N 0 0 317.351 3.349 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000455414402 534598964 /nfs/dbraw/zinc/59/89/64/534598964.db2.gz QXCRKZISCZCOIK-OAGGEKHMSA-N 0 0 322.355 3.155 10 30 DGEERN Cc1sc(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000177359382 534610947 /nfs/dbraw/zinc/61/09/47/534610947.db2.gz AXBNNXNGUFPKIQ-QWRGUYRKSA-N 0 0 305.447 3.296 10 30 DGEERN Cc1cnc([C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000181544133 534656527 /nfs/dbraw/zinc/65/65/27/534656527.db2.gz LKINIBMUDBECIB-LBPRGKRZSA-N 0 0 311.410 3.498 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455634201 534689997 /nfs/dbraw/zinc/68/99/97/534689997.db2.gz HJMGGLLWWKOOQN-UWVGGRQHSA-N 0 0 319.352 3.497 10 30 DGEERN C=C[C@H]1CCCCN1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000489433529 534695028 /nfs/dbraw/zinc/69/50/28/534695028.db2.gz UTGSVOMAXIJEDG-LBPRGKRZSA-N 0 0 305.447 3.001 10 30 DGEERN C=CCCCC[C@H](C)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000449291875 534698131 /nfs/dbraw/zinc/69/81/31/534698131.db2.gz ODVOSMIANUNXEN-HNNXBMFYSA-N 0 0 315.461 3.077 10 30 DGEERN N#CCSCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000180707543 534701655 /nfs/dbraw/zinc/70/16/55/534701655.db2.gz ZQFFAYRJKOKKIN-UHFFFAOYSA-N 0 0 321.405 3.098 10 30 DGEERN CC#CCN(C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000458542200 534705143 /nfs/dbraw/zinc/70/51/43/534705143.db2.gz MPQLWZBPLZBLPM-UHFFFAOYSA-N 0 0 324.428 3.160 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000455226791 534705737 /nfs/dbraw/zinc/70/57/37/534705737.db2.gz IECXXNGSLQVUCI-LBPRGKRZSA-N 0 0 320.261 3.233 10 30 DGEERN C=CCCCN(C)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451209169 534708167 /nfs/dbraw/zinc/70/81/67/534708167.db2.gz CAYGQVKRKFUXKE-UHFFFAOYSA-N 0 0 313.385 3.335 10 30 DGEERN N#CC[C@@H]1CC[C@H](N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)C1 ZINC000333602578 534711868 /nfs/dbraw/zinc/71/18/68/534711868.db2.gz WSOPJPQEMVPUKB-HJWJTTGWSA-N 0 0 323.396 3.237 10 30 DGEERN COCCN(C(=O)CCc1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000154426309 523533959 /nfs/dbraw/zinc/53/39/59/523533959.db2.gz BHQZQBXMCPLHHP-UHFFFAOYSA-N 0 0 322.408 3.479 10 30 DGEERN N#CCc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000180616532 534722629 /nfs/dbraw/zinc/72/26/29/534722629.db2.gz QGARCLHIGMTPPS-MRXNPFEDSA-N 0 0 309.373 3.235 10 30 DGEERN C=CCCCNC(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000451291804 534732952 /nfs/dbraw/zinc/73/29/52/534732952.db2.gz AELNESYUGFUKPB-UHFFFAOYSA-N 0 0 305.403 3.419 10 30 DGEERN C=CCCCS(=O)(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000489121019 534741064 /nfs/dbraw/zinc/74/10/64/534741064.db2.gz WAXSCAIZZWNIDW-MRXNPFEDSA-N 0 0 311.422 3.129 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000458623338 534748521 /nfs/dbraw/zinc/74/85/21/534748521.db2.gz QPDGAAQLNSZLKJ-OAHLLOKOSA-N 0 0 308.466 3.458 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329126211 534761867 /nfs/dbraw/zinc/76/18/67/534761867.db2.gz MOUDGJVHJJHWCB-BRWVUGGUSA-N 0 0 318.392 3.274 10 30 DGEERN Cc1ccc(CC(=O)ONC(=N)c2ccc(Cl)cc2)cc1 ZINC000004985787 524279027 /nfs/dbraw/zinc/27/90/27/524279027.db2.gz SJBHUFGORYAZPG-UHFFFAOYSA-N 0 0 302.761 3.055 10 30 DGEERN C[C@H](CO)Nc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000032634073 524565773 /nfs/dbraw/zinc/56/57/73/524565773.db2.gz BSNULZLBKPFTHT-IIBSKXHVSA-N 0 0 301.367 3.157 10 30 DGEERN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCC#N)C(F)(F)F ZINC000091709550 534804914 /nfs/dbraw/zinc/80/49/14/534804914.db2.gz OBFSACJYCBGFGM-CQSZACIVSA-N 0 0 308.307 3.206 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H](CC)C(F)(F)F)cc1 ZINC000451097192 534881866 /nfs/dbraw/zinc/88/18/66/534881866.db2.gz PBPZEIHYSHVDHG-ZDUSSCGKSA-N 0 0 301.308 3.251 10 30 DGEERN C=CCN(CCC#N)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000428882728 526271757 /nfs/dbraw/zinc/27/17/57/526271757.db2.gz RZUQHCIAWCDKCB-KRWDZBQOSA-N 0 0 315.392 3.031 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1ncccc1OCC ZINC000177591393 526311708 /nfs/dbraw/zinc/31/17/08/526311708.db2.gz WEXHSOPZBGEJIV-UHFFFAOYSA-N 0 0 310.397 3.351 10 30 DGEERN C=CCN(CCc1ccccc1)c1ncnc2c1ncn2C1CC1 ZINC000431414659 526314088 /nfs/dbraw/zinc/31/40/88/526314088.db2.gz NTLVNFILANVJEW-UHFFFAOYSA-N 0 0 319.412 3.396 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1sccc1COC ZINC000352580411 526324881 /nfs/dbraw/zinc/32/48/81/526324881.db2.gz LZABNZVZFIMXRT-UHFFFAOYSA-N 0 0 305.399 3.358 10 30 DGEERN C=CCN(Cc1ccc(C)nc1C)S(=O)(=O)c1cccs1 ZINC000185260150 526333517 /nfs/dbraw/zinc/33/35/17/526333517.db2.gz YHOUKLAIFPDUQY-UHFFFAOYSA-N 0 0 322.455 3.137 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000337943230 526349300 /nfs/dbraw/zinc/34/93/00/526349300.db2.gz OCBKQCCIWXDFJL-STQMWFEESA-N 0 0 310.300 3.011 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)sn1 ZINC000435751726 526349711 /nfs/dbraw/zinc/34/97/11/526349711.db2.gz ULAWGSJUYGUKHI-UHFFFAOYSA-N 0 0 317.370 3.188 10 30 DGEERN C=CCN(Cc1cccs1)c1nnc(-c2ccoc2)n1C ZINC000349522132 526379470 /nfs/dbraw/zinc/37/94/70/526379470.db2.gz UKXVLCFVOCLSIW-UHFFFAOYSA-N 0 0 300.387 3.329 10 30 DGEERN C=CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C)C1CC1 ZINC000349697437 526386768 /nfs/dbraw/zinc/38/67/68/526386768.db2.gz WGFHJGYKZFAXMC-IRXDYDNUSA-N 0 0 324.428 3.215 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@H]1c1ncc(COC)s1 ZINC000357066436 526412242 /nfs/dbraw/zinc/41/22/42/526412242.db2.gz MOCGSELAGYEDIR-CQSZACIVSA-N 0 0 315.398 3.042 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000424825954 526430742 /nfs/dbraw/zinc/43/07/42/526430742.db2.gz PSWWWOJDNGUWLH-IBGZPJMESA-N 0 0 301.430 3.141 10 30 DGEERN C=C(C)C(C)(C)C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000424691596 526433698 /nfs/dbraw/zinc/43/36/98/526433698.db2.gz RDONRIANCPLPSD-OAHLLOKOSA-N 0 0 303.402 3.052 10 30 DGEERN C=C(C)CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO1 ZINC000339025032 526508280 /nfs/dbraw/zinc/50/82/80/526508280.db2.gz ZUFCIAMWDCNJBD-CQSZACIVSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)CN(C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C ZINC000337702445 526508346 /nfs/dbraw/zinc/50/83/46/526508346.db2.gz 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/nfs/dbraw/zinc/65/04/70/526650470.db2.gz HDJNXZAKCSCQQK-UHFFFAOYSA-N 0 0 310.756 3.283 10 30 DGEERN C#CCC(C)(C)C(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000185801880 526664116 /nfs/dbraw/zinc/66/41/16/526664116.db2.gz LEBYNAXIABRHBH-CQSZACIVSA-N 0 0 315.413 3.069 10 30 DGEERN C#CCC(C)(C)C(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000185801857 526664833 /nfs/dbraw/zinc/66/48/33/526664833.db2.gz LEBYNAXIABRHBH-AWEZNQCLSA-N 0 0 315.413 3.069 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(OCC)c2cccnc12 ZINC000287767566 526675040 /nfs/dbraw/zinc/67/50/40/526675040.db2.gz HCUYPVOFQLTIFF-UHFFFAOYSA-N 0 0 306.365 3.235 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC)CC(=O)Nc1ccccc1OC ZINC000184970622 526692787 /nfs/dbraw/zinc/69/27/87/526692787.db2.gz MCLIGCWFVPCXDB-CQSZACIVSA-N 0 0 318.417 3.085 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000185067893 526695192 /nfs/dbraw/zinc/69/51/92/526695192.db2.gz QRWGJSBRJCHNPM-CABCVRRESA-N 0 0 312.417 3.038 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000412692872 526695421 /nfs/dbraw/zinc/69/54/21/526695421.db2.gz DVGYZSNLWGZQKS-SJORKVTESA-N 0 0 300.446 3.322 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CCC(=O)OC)Cc1ccccc1 ZINC000184976869 526700250 /nfs/dbraw/zinc/70/02/50/526700250.db2.gz PGHOAFMJMSEBRK-WBVHZDCISA-N 0 0 317.429 3.269 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000185301219 526701736 /nfs/dbraw/zinc/70/17/36/526701736.db2.gz XTWSZHRGAHUFMH-SECBINFHSA-N 0 0 308.765 3.212 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000185819115 526702243 /nfs/dbraw/zinc/70/22/43/526702243.db2.gz HGCFJJWEOAGRRS-OLZOCXBDSA-N 0 0 308.372 3.262 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000185982381 526702574 /nfs/dbraw/zinc/70/25/74/526702574.db2.gz MOAPBNFBNREPJV-CHWSQXEVSA-N 0 0 323.462 3.215 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000185812023 526708296 /nfs/dbraw/zinc/70/82/96/526708296.db2.gz 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/nfs/dbraw/zinc/71/44/22/526714422.db2.gz ZEZNXOVWQOQZJU-LSDHHAIUSA-N 0 0 302.418 3.453 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC000338789439 526718793 /nfs/dbraw/zinc/71/87/93/526718793.db2.gz QFCPSQJRVSEBBE-HNNXBMFYSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H]1C ZINC000359246890 526729202 /nfs/dbraw/zinc/72/92/02/526729202.db2.gz VQQVNPLKFYQBKV-AWEZNQCLSA-N 0 0 300.406 3.221 10 30 DGEERN C=CCOCCCC(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000373872960 526735525 /nfs/dbraw/zinc/73/55/25/526735525.db2.gz UPKNDWAOSODPDV-GOSISDBHSA-N 0 0 305.393 3.375 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159734228 526740085 /nfs/dbraw/zinc/74/00/85/526740085.db2.gz CBZAGRJXCPLBST-HNNXBMFYSA-N 0 0 313.401 3.032 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(OCCCOC)c1 ZINC000346195762 526764133 /nfs/dbraw/zinc/76/41/33/526764133.db2.gz QOVIGYDEWSGGEZ-IRXDYDNUSA-N 0 0 319.401 3.022 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000437498350 526800600 /nfs/dbraw/zinc/80/06/00/526800600.db2.gz IBAAHCIXEQLGBZ-XKGZKEIXSA-N 0 0 313.441 3.378 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c2cc(F)ccc21 ZINC000437498501 526800823 /nfs/dbraw/zinc/80/08/23/526800823.db2.gz NZASDGOHHRPOIY-ZBEGNZNMSA-N 0 0 302.349 3.018 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1)OCC ZINC000339514640 526805543 /nfs/dbraw/zinc/80/55/43/526805543.db2.gz CFYRKZVGDSIVRQ-JCGIZDLHSA-N 0 0 317.429 3.208 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cnnc(C)c1)c1ccc(F)c(F)c1 ZINC000346298423 526821082 /nfs/dbraw/zinc/82/10/82/526821082.db2.gz JGMLBDJSNKQHBR-HNNXBMFYSA-N 0 0 303.312 3.110 10 30 DGEERN C=CCOc1ccc(C=Cc2nc3cnccc3c(=O)[nH]2)cc1 ZINC000434940883 526834941 /nfs/dbraw/zinc/83/49/41/526834941.db2.gz ZJVMBUYRTQEUHB-YVMONPNESA-N 0 0 305.337 3.053 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1 ZINC000195237860 526853147 /nfs/dbraw/zinc/85/31/47/526853147.db2.gz JVSNGVRICNEXAY-UHFFFAOYSA-N 0 0 320.352 3.289 10 30 DGEERN C=CCOc1ccc(CNC(=O)NCCc2ccsc2)cc1 ZINC000343886407 526878789 /nfs/dbraw/zinc/87/87/89/526878789.db2.gz BFLMNBCDFUZIRX-UHFFFAOYSA-N 0 0 316.426 3.355 10 30 DGEERN C=CCOc1ccc(CNC(=O)NCCC2(F)CCC2)cc1 ZINC000347171478 526879189 /nfs/dbraw/zinc/87/91/89/526879189.db2.gz OPZVNWAPDOIKTH-UHFFFAOYSA-N 0 0 306.381 3.333 10 30 DGEERN C=CCOc1ccc(CNC(=O)NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000345966624 526879444 /nfs/dbraw/zinc/87/94/44/526879444.db2.gz VEPCKGLVKVZXDC-INIZCTEOSA-N 0 0 318.417 3.008 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2sccc2COC)cc1 ZINC000359104886 526884714 /nfs/dbraw/zinc/88/47/14/526884714.db2.gz JYKULNKNPQTRIN-UHFFFAOYSA-N 0 0 317.410 3.389 10 30 DGEERN C=C(Cl)CNC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000363839778 526889247 /nfs/dbraw/zinc/88/92/47/526889247.db2.gz ZTGDBGKLRCBYOK-CQSZACIVSA-N 0 0 322.840 3.427 10 30 DGEERN C=CCOc1ccc(CNc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000127868781 526892501 /nfs/dbraw/zinc/89/25/01/526892501.db2.gz SEQFASATOIFQFX-UHFFFAOYSA-N 0 0 310.353 3.308 10 30 DGEERN C=CCOc1ccccc1CN1CC[S@@](=O)C(CC)(CC)C1 ZINC000347749212 526933570 /nfs/dbraw/zinc/93/35/70/526933570.db2.gz DQEVLIJWRNHIHZ-JOCHJYFZSA-N 0 0 321.486 3.375 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000374478978 526968198 /nfs/dbraw/zinc/96/81/98/526968198.db2.gz DZPKWOHXOJIMET-QZTJIDSGSA-N 0 0 314.429 3.372 10 30 DGEERN C=CCOc1cccnc1C(=O)Nc1nc2cc(C)ccc2[nH]1 ZINC000344538757 526969988 /nfs/dbraw/zinc/96/99/88/526969988.db2.gz XRUPFAFDZUTYBZ-UHFFFAOYSA-N 0 0 308.341 3.083 10 30 DGEERN C=CCSCCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184078025 526994327 /nfs/dbraw/zinc/99/43/27/526994327.db2.gz UFCTTXBRJNJPSK-UHFFFAOYSA-N 0 0 300.374 3.343 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000292696194 526995704 /nfs/dbraw/zinc/99/57/04/526995704.db2.gz HDXPWANYNFSTPK-HNNXBMFYSA-N 0 0 316.445 3.383 10 30 DGEERN C=CCSCCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346654635 527004405 /nfs/dbraw/zinc/00/44/05/527004405.db2.gz UASAMZZLGHSLHB-INIZCTEOSA-N 0 0 303.406 3.214 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000432073361 527008474 /nfs/dbraw/zinc/00/84/74/527008474.db2.gz WVLJRGUUWAABLU-UHFFFAOYSA-N 0 0 320.824 3.389 10 30 DGEERN C=CCC(CC=C)C(=O)N(CCOC)Cc1scnc1C ZINC000347743273 527022577 /nfs/dbraw/zinc/02/25/77/527022577.db2.gz SGLOJWFJUOZYJY-UHFFFAOYSA-N 0 0 308.447 3.195 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000133100436 527026501 /nfs/dbraw/zinc/02/65/01/527026501.db2.gz MQDXDEYAYFAICB-UHFFFAOYSA-N 0 0 301.434 3.197 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000436497191 527029757 /nfs/dbraw/zinc/02/97/57/527029757.db2.gz LBUIVCHFHPAZQY-SECBINFHSA-N 0 0 323.194 3.183 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000121334976 527031251 /nfs/dbraw/zinc/03/12/51/527031251.db2.gz GJJZHBBJUYEIEZ-ZDUSSCGKSA-N 0 0 301.386 3.403 10 30 DGEERN C=CCC1(C(=O)NCC[C@H](OC)C(CC)CC)CCOCC1 ZINC000424734296 527052673 /nfs/dbraw/zinc/05/26/73/527052673.db2.gz JQCKCDCCJKUWRA-INIZCTEOSA-N 0 0 311.466 3.317 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CCOCC1 ZINC000424688504 527055252 /nfs/dbraw/zinc/05/52/52/527055252.db2.gz WOQFBYMSJYUNJW-JKSUJKDBSA-N 0 0 323.477 3.317 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(SC)cc2)CCOCC1 ZINC000424595497 527056971 /nfs/dbraw/zinc/05/69/71/527056971.db2.gz HHZBBYOMLKLYQJ-UHFFFAOYSA-N 0 0 305.443 3.398 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCc3c2cccc3OC)CCOCC1 ZINC000424725491 527057588 /nfs/dbraw/zinc/05/75/88/527057588.db2.gz VCVRUWUYCAWTBU-MRXNPFEDSA-N 0 0 315.413 3.172 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2c(F)cccc2OC)CCOCC1 ZINC000424701848 527058276 /nfs/dbraw/zinc/05/82/76/527058276.db2.gz XVSPLTLLJJNKCA-CYBMUJFWSA-N 0 0 321.392 3.384 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)Cc2ccccc2F)CCOCC1 ZINC000424602058 527058592 /nfs/dbraw/zinc/05/85/92/527058592.db2.gz DUKXCAAVKRHKKB-CQSZACIVSA-N 0 0 305.393 3.246 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000443132798 527075657 /nfs/dbraw/zinc/07/56/57/527075657.db2.gz MLGVXUHHPJTWKY-SNVBAGLBSA-N 0 0 319.298 3.067 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000185694129 527087709 /nfs/dbraw/zinc/08/77/09/527087709.db2.gz GGMGEQXOEYXBGI-JTQLQIEISA-N 0 0 322.257 3.431 10 30 DGEERN O=C1Nc2ccccc2/C1=N/CCOCc1ccc(Cl)cc1 ZINC000016524100 527090751 /nfs/dbraw/zinc/09/07/51/527090751.db2.gz OXBMARJYZIVFOJ-UHFFFAOYSA-N 0 0 314.772 3.298 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000346772690 527092959 /nfs/dbraw/zinc/09/29/59/527092959.db2.gz AJRPEVBPMRBPJT-LSDHHAIUSA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000185859869 527098498 /nfs/dbraw/zinc/09/84/98/527098498.db2.gz JUFUHEBGAAOSAZ-HNNXBMFYSA-N 0 0 304.434 3.277 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1SCC=C(C)C ZINC000185774534 527100374 /nfs/dbraw/zinc/10/03/74/527100374.db2.gz ZEAMBESLAJMKNT-AWEZNQCLSA-N 0 0 305.443 3.412 10 30 DGEERN C=CC[C@@H]1N(C(=O)N[C@H](C)CCC(=O)OCC)CCCC1(C)C ZINC000445213876 527116660 /nfs/dbraw/zinc/11/66/60/527116660.db2.gz ANRIWNLCUFMCKV-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN C=CCCCCCN(C)C(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000360262929 527126613 /nfs/dbraw/zinc/12/66/13/527126613.db2.gz VVPDGTIBUKGFRH-ZDUSSCGKSA-N 0 0 306.372 3.218 10 30 DGEERN C=CC[C@H](C)[C@H](C)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000290248538 527143103 /nfs/dbraw/zinc/14/31/03/527143103.db2.gz VLBLDHLXXMOIJW-FPMFFAJLSA-N 0 0 315.417 3.452 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413504560 527158359 /nfs/dbraw/zinc/15/83/59/527158359.db2.gz AXGGIEGSIRHHII-GJZGRUSLSA-N 0 0 305.397 3.058 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCCC2=O)c1C(C)C ZINC000331068623 527158692 /nfs/dbraw/zinc/15/86/92/527158692.db2.gz QZCSDROSKUJRGH-GFCCVEGCSA-N 0 0 304.390 3.323 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCSC ZINC000287501152 527159696 /nfs/dbraw/zinc/15/96/96/527159696.db2.gz UAWYFAWPSUGKKD-INIZCTEOSA-N 0 0 304.459 3.016 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1Cc2ccccc2C1 ZINC000287563009 527162069 /nfs/dbraw/zinc/16/20/69/527162069.db2.gz WZWCSRYAHUESTB-IBGZPJMESA-N 0 0 304.393 3.346 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000337090313 527162753 /nfs/dbraw/zinc/16/27/53/527162753.db2.gz JPNAUMUMJBCLME-KRWDZBQOSA-N 0 0 317.429 3.467 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000286867854 527172446 /nfs/dbraw/zinc/17/24/46/527172446.db2.gz CTAVBIRBUGACEE-CTWPCTMYSA-N 0 0 323.440 3.250 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NCCCC(F)(F)F ZINC000286723664 527172788 /nfs/dbraw/zinc/17/27/88/527172788.db2.gz PFDNDAPUKIOHIS-CQSZACIVSA-N 0 0 312.335 3.263 10 30 DGEERN C#CC[C@H](Nc1ncnc2c1ncn2C1CC1)c1ccccc1 ZINC000292593652 527176021 /nfs/dbraw/zinc/17/60/21/527176021.db2.gz BIAFBJFUQFCUFK-HNNXBMFYSA-N 0 0 303.369 3.338 10 30 DGEERN C=CCCCN(C)C(=O)CSCC(=O)Nc1cccc(C)c1 ZINC000076487198 527181212 /nfs/dbraw/zinc/18/12/12/527181212.db2.gz DZNRUDMMIZIIGA-UHFFFAOYSA-N 0 0 320.458 3.091 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000297820683 527183224 /nfs/dbraw/zinc/18/32/24/527183224.db2.gz QMKZOKCLYGJFLI-UHFFFAOYSA-N 0 0 315.339 3.251 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373465596 527186249 /nfs/dbraw/zinc/18/62/49/527186249.db2.gz AOZJSGYIYUDBLC-ZWKOTPCHSA-N 0 0 324.428 3.336 10 30 DGEERN C=CCCCN(C)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000349873936 527188853 /nfs/dbraw/zinc/18/88/53/527188853.db2.gz FCQQDGLENBZKQN-UHFFFAOYSA-N 0 0 322.206 3.364 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000346767818 527189651 /nfs/dbraw/zinc/18/96/51/527189651.db2.gz ITLKPVVPOWGRRC-ZDUSSCGKSA-N 0 0 320.820 3.118 10 30 DGEERN C=CCCCN(C)C(=O)c1ccn(-c2cc(C)ccc2OC)n1 ZINC000135090488 527189895 /nfs/dbraw/zinc/18/98/95/527189895.db2.gz LNPQTBIOTSFXBV-UHFFFAOYSA-N 0 0 313.401 3.228 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000346053608 527190959 /nfs/dbraw/zinc/19/09/59/527190959.db2.gz DTEVSZRKBSJJIL-UHFFFAOYSA-N 0 0 320.343 3.243 10 30 DGEERN C=CC[C@H](CO)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000185783758 527192862 /nfs/dbraw/zinc/19/28/62/527192862.db2.gz YNWBJMXCPYZXFD-CYBMUJFWSA-N 0 0 315.335 3.036 10 30 DGEERN C=CCCCN(C)c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000347042515 527193465 /nfs/dbraw/zinc/19/34/65/527193465.db2.gz CEXFTLBHDGEWCA-UHFFFAOYSA-N 0 0 301.434 3.356 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000185876439 527194164 /nfs/dbraw/zinc/19/41/64/527194164.db2.gz QEPKMSULQLQHIL-NWDGAFQWSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)C)n1C[C@H]1CCCO1 ZINC000339018467 527195641 /nfs/dbraw/zinc/19/56/41/527195641.db2.gz YWTBQXGIGHNHIJ-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN CC(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cs1 ZINC000338691938 527199211 /nfs/dbraw/zinc/19/92/11/527199211.db2.gz QMPYWCGNKBEHAR-ZDUSSCGKSA-N 0 0 302.330 3.084 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435335079 527201298 /nfs/dbraw/zinc/20/12/98/527201298.db2.gz JLPMBVZVRATQLY-LLVKDONJSA-N 0 0 324.808 3.112 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000413690109 527201675 /nfs/dbraw/zinc/20/16/75/527201675.db2.gz ASFGXNHGEVKSCH-CWRNSKLLSA-N 0 0 322.836 3.212 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000186629312 527202052 /nfs/dbraw/zinc/20/20/52/527202052.db2.gz BMDSRZXMIGVXGM-SNVBAGLBSA-N 0 0 302.296 3.072 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000185699860 527209291 /nfs/dbraw/zinc/20/92/91/527209291.db2.gz PEOKMDCOUJKMRA-SNVBAGLBSA-N 0 0 322.817 3.130 10 30 DGEERN C=CCCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000344549406 527210755 /nfs/dbraw/zinc/21/07/55/527210755.db2.gz JEFCWMMVLQKGIF-UHFFFAOYSA-N 0 0 309.356 3.095 10 30 DGEERN C=CCCCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000448376981 527217471 /nfs/dbraw/zinc/21/74/71/527217471.db2.gz RIVRLBNURFYDQB-UHFFFAOYSA-N 0 0 300.402 3.231 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)C1CCOCC1 ZINC000412812627 527220567 /nfs/dbraw/zinc/22/05/67/527220567.db2.gz FIHMZBIHUFCSJY-CRAIPNDOSA-N 0 0 301.430 3.353 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)C1CCOCC1 ZINC000412812630 527220856 /nfs/dbraw/zinc/22/08/56/527220856.db2.gz FIHMZBIHUFCSJY-MAUKXSAKSA-N 0 0 301.430 3.353 10 30 DGEERN C=CCCCNC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000448030833 527221437 /nfs/dbraw/zinc/22/14/37/527221437.db2.gz NIOAGTUEOXGEGR-INIZCTEOSA-N 0 0 318.417 3.335 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCCOc2ccc(C#N)cc2)c1 ZINC000302108697 527224647 /nfs/dbraw/zinc/22/46/47/527224647.db2.gz OMQNTBHUCDHCSM-UHFFFAOYSA-N 0 0 305.337 3.123 10 30 DGEERN CC(=O)c1ccc(C#N)cc1NCCCc1c(C)nn(C)c1C ZINC000302139576 527230734 /nfs/dbraw/zinc/23/07/34/527230734.db2.gz OFSQCDIOSSRERD-UHFFFAOYSA-N 0 0 310.401 3.156 10 30 DGEERN CC(=O)c1ccc(C#N)cc1NCc1cccc(-c2nc[nH]n2)c1 ZINC000302114078 527231676 /nfs/dbraw/zinc/23/16/76/527231676.db2.gz QTDRDDGQRQVKFX-UHFFFAOYSA-N 0 0 317.352 3.158 10 30 DGEERN CC(=O)c1ccc(C#N)cc1NCCOc1ccc(C#N)cc1 ZINC000302133597 527232146 /nfs/dbraw/zinc/23/21/46/527232146.db2.gz ZAYKIGIEFPKVOW-UHFFFAOYSA-N 0 0 305.337 3.123 10 30 DGEERN C=CCc1cc(C(=O)Nc2csc(C)n2)cc(OC)c1OC ZINC000339959467 527234798 /nfs/dbraw/zinc/23/47/98/527234798.db2.gz MGDLHDUMAQSSDW-UHFFFAOYSA-N 0 0 318.398 3.450 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1ccnc(OC)n1 ZINC000418952311 527234949 /nfs/dbraw/zinc/23/49/49/527234949.db2.gz KBFXCASJGYHWBN-UHFFFAOYSA-N 0 0 300.358 3.110 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1cnc(OC)nc1C ZINC000347640779 527247036 /nfs/dbraw/zinc/24/70/36/527247036.db2.gz APNHGMKCFSONMG-UHFFFAOYSA-N 0 0 315.329 3.009 10 30 DGEERN C=CCc1ccc(OCC(=O)N2C[C@H](C)CC[C@@H]2C)c(OC)c1 ZINC000362514645 527249462 /nfs/dbraw/zinc/24/94/62/527249462.db2.gz YWQSMGCLNFLYNA-CABCVRRESA-N 0 0 317.429 3.450 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)C=C ZINC000355229866 527257946 /nfs/dbraw/zinc/25/79/46/527257946.db2.gz YNIXZFOEBNHXOY-ZDUSSCGKSA-N 0 0 300.402 3.168 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000181398289 527263577 /nfs/dbraw/zinc/26/35/77/527263577.db2.gz OQRTXPIZTYXNLG-CJNGLKHVSA-N 0 0 306.406 3.416 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(F)c2C1 ZINC000350753417 527270962 /nfs/dbraw/zinc/27/09/62/527270962.db2.gz ZLJPBICMUNHBIC-UHFFFAOYSA-N 0 0 323.375 3.161 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000344663436 527272950 /nfs/dbraw/zinc/27/29/50/527272950.db2.gz HXXKJJDDUGKHTM-SNVBAGLBSA-N 0 0 322.352 3.124 10 30 DGEERN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@@H]1C ZINC000290556627 527272939 /nfs/dbraw/zinc/27/29/39/527272939.db2.gz YTFBFSZNRIYEEQ-LBPRGKRZSA-N 0 0 318.808 3.010 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)CCc1cccs1 ZINC000337836719 527279148 /nfs/dbraw/zinc/27/91/48/527279148.db2.gz CMONPTXPLQSYGB-UHFFFAOYSA-N 0 0 314.414 3.465 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000337853663 527299383 /nfs/dbraw/zinc/29/93/83/527299383.db2.gz KISZQVPVUJCHHV-CQSZACIVSA-N 0 0 317.462 3.230 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000290568112 527300814 /nfs/dbraw/zinc/30/08/14/527300814.db2.gz ZSQOQAFJHBZWNX-BLLLJJGKSA-N 0 0 300.381 3.499 10 30 DGEERN C=CCCN(C)C(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000342042715 527307501 /nfs/dbraw/zinc/30/75/01/527307501.db2.gz TYNUROMWIJEPBD-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1Cc2ccccc2C2(CC2)C1 ZINC000350730143 527314528 /nfs/dbraw/zinc/31/45/28/527314528.db2.gz PXICVKZAIAQDCN-UHFFFAOYSA-N 0 0 320.440 3.468 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC000351072533 527316099 /nfs/dbraw/zinc/31/60/99/527316099.db2.gz HYRWCDLYPTVQGY-AWEZNQCLSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H]1CC ZINC000350741897 527320025 /nfs/dbraw/zinc/32/00/25/527320025.db2.gz SCCQYYLZXXTXOG-AWEZNQCLSA-N 0 0 300.406 3.221 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(C)CC1 ZINC000337806237 527320049 /nfs/dbraw/zinc/32/00/49/527320049.db2.gz HVWGKITWZKOIBI-UHFFFAOYSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)C[C@H](C)CC ZINC000337805128 527320067 /nfs/dbraw/zinc/32/00/67/527320067.db2.gz HFFYRCCHUSXKFL-CQSZACIVSA-N 0 0 302.422 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](C)CC1 ZINC000350597486 527320124 /nfs/dbraw/zinc/32/01/24/527320124.db2.gz KTEHCEPLKOXPED-HNNXBMFYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCCN(C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000342741048 527320337 /nfs/dbraw/zinc/32/03/37/527320337.db2.gz SVAPKCLOJZRSFB-UHFFFAOYSA-N 0 0 301.415 3.257 10 30 DGEERN C=CCn1c(Cc2ccccc2)nnc1SCCC1(O)CC1 ZINC000442897433 527326581 /nfs/dbraw/zinc/32/65/81/527326581.db2.gz FKVLDCGQJZKYEJ-UHFFFAOYSA-N 0 0 315.442 3.062 10 30 DGEERN C=CCn1c(SCC[C@@H](C)O)nc2sc(C)c(C)c2c1=O ZINC000439278001 527340192 /nfs/dbraw/zinc/34/01/92/527340192.db2.gz WBRIZEHOASBAJM-SECBINFHSA-N 0 0 324.471 3.124 10 30 DGEERN C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)C1CC1 ZINC000350742406 527361697 /nfs/dbraw/zinc/36/16/97/527361697.db2.gz VZTDWAQTQXOLGB-IRXDYDNUSA-N 0 0 324.428 3.308 10 30 DGEERN C=CCCOCCNC(=O)c1sc2nccc(C)c2c1C ZINC000339889316 527367088 /nfs/dbraw/zinc/36/70/88/527367088.db2.gz PJNIGVOSFLPXEH-UHFFFAOYSA-N 0 0 304.415 3.236 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000337332127 527376143 /nfs/dbraw/zinc/37/61/43/527376143.db2.gz JDHRDUVSOSKLKI-MAUKXSAKSA-N 0 0 305.393 3.373 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338100747 527384873 /nfs/dbraw/zinc/38/48/73/527384873.db2.gz QRLLNNLFTYQREX-JTQLQIEISA-N 0 0 302.296 3.329 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000194501026 527393720 /nfs/dbraw/zinc/39/37/20/527393720.db2.gz LLXBHNNBLJGTAA-GFCCVEGCSA-N 0 0 316.376 3.173 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000152990934 527398419 /nfs/dbraw/zinc/39/84/19/527398419.db2.gz GYDHAJCABWFWCU-OAHLLOKOSA-N 0 0 310.397 3.346 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)C[C@H](C)c2nccs2)cc1 ZINC000297049671 527434956 /nfs/dbraw/zinc/43/49/56/527434956.db2.gz XUSAHKJJMRFVKF-ZDUSSCGKSA-N 0 0 313.426 3.070 10 30 DGEERN C#Cc1ccc(CNC(=O)Nc2cc(C3CC3)n(CC)n2)cc1 ZINC000296488743 527436899 /nfs/dbraw/zinc/43/68/99/527436899.db2.gz CLKOSBCWLNNELP-UHFFFAOYSA-N 0 0 308.385 3.083 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000428033470 527455800 /nfs/dbraw/zinc/45/58/00/527455800.db2.gz AKVZHJBRXOQQDB-CYBMUJFWSA-N 0 0 314.385 3.366 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000151566364 527456262 /nfs/dbraw/zinc/45/62/62/527456262.db2.gz PXSRUTFNWRSPDI-INIZCTEOSA-N 0 0 312.394 3.335 10 30 DGEERN C=CCC[C@H](NC(=O)NC[C@H](CO)C1CC1)c1ccccc1 ZINC000358802643 527478784 /nfs/dbraw/zinc/47/87/84/527478784.db2.gz FSXJITONXKXOSL-SJORKVTESA-N 0 0 302.418 3.012 10 30 DGEERN C=CCC[C@H](Nc1nn2c(nccc2=O)s1)c1ccccc1 ZINC000154592290 527487709 /nfs/dbraw/zinc/48/77/09/527487709.db2.gz KISKQRBTBFOLAI-ZDUSSCGKSA-N 0 0 312.398 3.270 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000425569057 527494321 /nfs/dbraw/zinc/49/43/21/527494321.db2.gz XQTHDGFINSKJKJ-BZSNNMDCSA-N 0 0 316.445 3.240 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000424913662 527497519 /nfs/dbraw/zinc/49/75/19/527497519.db2.gz LDHUKEMGAUUPDQ-ZFWWWQNUSA-N 0 0 315.344 3.407 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CC#N)C1CCCC1 ZINC000184104206 527500191 /nfs/dbraw/zinc/50/01/91/527500191.db2.gz MUCIBMKIWCISKR-SEYXRHQNSA-N 0 0 313.357 3.293 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCCCCSC ZINC000337500745 527501083 /nfs/dbraw/zinc/50/10/83/527501083.db2.gz KBVSXMCBQMQBIW-UHFFFAOYSA-N 0 0 320.458 3.003 10 30 DGEERN C=C[C@@](C)(CC)c1nc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000347172612 527525785 /nfs/dbraw/zinc/52/57/85/527525785.db2.gz LRXYJOYBVYAFJM-SFHVURJKSA-N 0 0 313.401 3.124 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337135000 527534489 /nfs/dbraw/zinc/53/44/89/527534489.db2.gz MDCIRINDEGEWIW-KRWDZBQOSA-N 0 0 307.390 3.180 10 30 DGEERN C=C[C@@](C)(O)CC(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC000425030288 527542579 /nfs/dbraw/zinc/54/25/79/527542579.db2.gz MEJGKAHZOOKABF-MRXNPFEDSA-N 0 0 311.809 3.027 10 30 DGEERN C=CCN(C(=O)[C@@H]1CC=CCC1)c1nc(C(=O)OCC)cs1 ZINC000337071509 527542636 /nfs/dbraw/zinc/54/26/36/527542636.db2.gz XHSOADMDJSWPGZ-GFCCVEGCSA-N 0 0 320.414 3.195 10 30 DGEERN C=C[C@H](C)NC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433916351 527556707 /nfs/dbraw/zinc/55/67/07/527556707.db2.gz XSBNMKJOODIRQO-NSHDSACASA-N 0 0 311.223 3.473 10 30 DGEERN C=CCN(C)C(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000428285819 527561938 /nfs/dbraw/zinc/56/19/38/527561938.db2.gz HMFCHUMMRUETFD-UHFFFAOYSA-N 0 0 321.218 3.357 10 30 DGEERN C=C[C@H](CC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000129334526 527573743 /nfs/dbraw/zinc/57/37/43/527573743.db2.gz NEYWLUVNTIFSBE-QAPCUYQASA-N 0 0 309.413 3.444 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299395917 527586699 /nfs/dbraw/zinc/58/66/99/527586699.db2.gz LPQXBSLPGJIKJW-UHFFFAOYSA-N 0 0 303.240 3.177 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000346398761 527623367 /nfs/dbraw/zinc/62/33/67/527623367.db2.gz ZUKGUZNWRDZKCS-GOSISDBHSA-N 0 0 324.384 3.403 10 30 DGEERN C=C[C@](C)(O)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000355507969 527633573 /nfs/dbraw/zinc/63/35/73/527633573.db2.gz JUUAWXARHMATOD-FQEVSTJZSA-N 0 0 320.392 3.169 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000432647937 527655346 /nfs/dbraw/zinc/65/53/46/527655346.db2.gz WVYXNXOXFQHPKG-UHFFFAOYSA-N 0 0 314.389 3.215 10 30 DGEERN CCCN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCc2ccccc2C1 ZINC000176884518 527782298 /nfs/dbraw/zinc/78/22/98/527782298.db2.gz JYCCUIFPADAQSN-GOSISDBHSA-N 0 0 321.424 3.306 10 30 DGEERN CCC1(NC(=O)Nc2ncccc2OCCCC#N)CCC1 ZINC000188786735 527790676 /nfs/dbraw/zinc/79/06/76/527790676.db2.gz ZMJXJXIGONXENY-UHFFFAOYSA-N 0 0 302.378 3.218 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000128948115 527926021 /nfs/dbraw/zinc/92/60/21/527926021.db2.gz WYJYBYBJMNHTOQ-SFHVURJKSA-N 0 0 317.433 3.246 10 30 DGEERN CCNC(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000163388780 528184592 /nfs/dbraw/zinc/18/45/92/528184592.db2.gz IGBMPBOSGQRXIR-UHFFFAOYSA-N 0 0 322.368 3.260 10 30 DGEERN CC(C)c1ccccc1NC(=O)[C@H](C#N)c1ccc([N+](=O)[O-])cn1 ZINC000359917050 528198090 /nfs/dbraw/zinc/19/80/90/528198090.db2.gz LDYCHYGDNMITJV-CQSZACIVSA-N 0 0 324.340 3.359 10 30 DGEERN CCNC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000162222403 528257307 /nfs/dbraw/zinc/25/73/07/528257307.db2.gz GKCQVXLZXSVWIG-UHFFFAOYSA-N 0 0 321.380 3.177 10 30 DGEERN CC(C)C[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000441030017 528394880 /nfs/dbraw/zinc/39/48/80/528394880.db2.gz GTVAVVQABUAHGE-SJJHQCBESA-N 0 0 321.465 3.209 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000358425561 528611471 /nfs/dbraw/zinc/61/14/71/528611471.db2.gz IOEGBPMNKHRXOQ-GOSISDBHSA-N 0 0 324.384 3.327 10 30 DGEERN CC(C)Cc1nsc(NCc2ccc(OCC#N)cc2)n1 ZINC000185343872 528688094 /nfs/dbraw/zinc/68/80/94/528688094.db2.gz XCRKEYPKLQWYHL-UHFFFAOYSA-N 0 0 302.403 3.251 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)c1cc(C#N)cs1 ZINC000177432015 528722808 /nfs/dbraw/zinc/72/28/08/528722808.db2.gz QIZFHACJLSIWGA-UHFFFAOYSA-N 0 0 300.383 3.291 10 30 DGEERN CCO[C@@H](C)c1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1 ZINC000174449107 529100630 /nfs/dbraw/zinc/10/06/30/529100630.db2.gz JIYJDMYKNQQVMJ-LBPRGKRZSA-N 0 0 321.446 3.283 10 30 DGEERN CCc1c(NC(=O)c2ccc(C#N)n2C)cnn1C(CC)CC ZINC000451144679 536078361 /nfs/dbraw/zinc/07/83/61/536078361.db2.gz IVAUDWXOMHZUEE-UHFFFAOYSA-N 0 0 313.405 3.269 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000185223793 546186802 /nfs/dbraw/zinc/18/68/02/546186802.db2.gz CDFLMPYRUNMDEH-WMLDXEAASA-N 0 0 304.434 3.182 10 30 DGEERN CO[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1C ZINC000221014704 546266016 /nfs/dbraw/zinc/26/60/16/546266016.db2.gz HLAPZSXZIVRZIR-IINYFYTJSA-N 0 0 309.207 3.182 10 30 DGEERN CC[C@H](C)n1ncc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C1CC1 ZINC000328923659 546482288 /nfs/dbraw/zinc/48/22/88/546482288.db2.gz NGAZWWOVFPVJEG-AVGNSLFASA-N 0 0 320.437 3.386 10 30 DGEERN CC(C)Cn1ncc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C1CC1 ZINC000329295737 546484729 /nfs/dbraw/zinc/48/47/29/546484729.db2.gz SOEGIYPXXLAJNW-STQMWFEESA-N 0 0 320.437 3.071 10 30 DGEERN O=C(CCc1nc2ccccc2o1)NC[C@@H]1CCCC[C@@H]1O ZINC000329501541 546486172 /nfs/dbraw/zinc/48/61/72/546486172.db2.gz HQLYEHMTLIGGQX-JSGCOSHPSA-N 0 0 302.374 3.268 10 30 DGEERN CC(C)(C)c1cnc(NC(=O)N2CC3(C2)CCCOC3)s1 ZINC000329558843 546487886 /nfs/dbraw/zinc/48/78/86/546487886.db2.gz LOUPFBDDZBFHDO-UHFFFAOYSA-N 0 0 309.435 3.099 10 30 DGEERN O=C(NCc1ccc2c(n1)CCCC2)c1cn2ccnc2s1 ZINC000329950350 546493871 /nfs/dbraw/zinc/49/38/71/546493871.db2.gz LVYWSOAQMARIHI-UHFFFAOYSA-N 0 0 312.398 3.174 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2C(=O)NC2CC(F)(F)C2)no1 ZINC000330244467 546496617 /nfs/dbraw/zinc/49/66/17/546496617.db2.gz KFUNJVZHCVURQP-SNVBAGLBSA-N 0 0 314.336 3.042 10 30 DGEERN C=CCn1c([C@H]2CCOC2)nnc1N1CCc2cc(C)c(C)cc21 ZINC000350741092 546621231 /nfs/dbraw/zinc/62/12/31/546621231.db2.gz KJKFJEKSZCKNDP-INIZCTEOSA-N 0 0 324.428 3.279 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC000453451511 546861040 /nfs/dbraw/zinc/86/10/40/546861040.db2.gz KCWPKDZDAQFBGE-XHSDSOJGSA-N 0 0 318.465 3.373 10 30 DGEERN C=C(CNC(=O)N1CCCCC[C@@H]1CCO)c1ccccc1 ZINC000512661436 546950913 /nfs/dbraw/zinc/95/09/13/546950913.db2.gz SGDXHMAZMATTEB-QGZVFWFLSA-N 0 0 302.418 3.036 10 30 DGEERN CC(C)(C)[C@H](O)CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246328 549811419 /nfs/dbraw/zinc/81/14/19/549811419.db2.gz VEOHRVZQYUGHHM-CYBMUJFWSA-N 0 0 321.218 3.474 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@H](C)OCC2CC2)cc1 ZINC000730429233 574529105 /nfs/dbraw/zinc/52/91/05/574529105.db2.gz JAJAVSZMJFUTPL-KBPBESRZSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1cccc(OC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000730497692 574530304 /nfs/dbraw/zinc/53/03/04/574530304.db2.gz LUDMQZOIKJMILE-RBUKOAKNSA-N 0 0 322.360 3.416 10 30 DGEERN C#CCOc1cccc(OC(=O)[C@@H](CC)c2c(C)noc2C)c1 ZINC000730500959 574530548 /nfs/dbraw/zinc/53/05/48/574530548.db2.gz YHKGYVIBXGNDCK-INIZCTEOSA-N 0 0 313.353 3.403 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(COC)o2)c1 ZINC000730700312 574534248 /nfs/dbraw/zinc/53/42/48/574534248.db2.gz RFNORUKJJOUSRZ-CYBMUJFWSA-N 0 0 314.337 3.356 10 30 DGEERN CC(C)OC(=O)CSCc1cc(Cl)ccc1OCC#N ZINC000741476773 574551629 /nfs/dbraw/zinc/55/16/29/574551629.db2.gz SFIJKKUHVJTGGW-UHFFFAOYSA-N 0 0 313.806 3.427 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)/C=C\C1CCOCC1 ZINC000732709517 574579550 /nfs/dbraw/zinc/57/95/50/574579550.db2.gz DDSKHFXOLNMOFO-WHLNPGIBSA-N 0 0 314.381 3.286 10 30 DGEERN C#CCN(CC)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000732888640 574586314 /nfs/dbraw/zinc/58/63/14/574586314.db2.gz AFQWNXPYKYUEPE-INIZCTEOSA-N 0 0 320.408 3.284 10 30 DGEERN C=C(C)CN(CC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000733187375 574605866 /nfs/dbraw/zinc/60/58/66/574605866.db2.gz QVZCGONDWNFYEP-VQHVLOKHSA-N 0 0 304.346 3.183 10 30 DGEERN CCC[C@H](CC1CCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000733220020 574608266 /nfs/dbraw/zinc/60/82/66/574608266.db2.gz DLXSSSZRIRYZCT-SJLPKXTDSA-N 0 0 317.477 3.182 10 30 DGEERN C#CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000733247057 574609816 /nfs/dbraw/zinc/60/98/16/574609816.db2.gz XHDJKOWNSTVZAK-UHFFFAOYSA-N 0 0 302.424 3.189 10 30 DGEERN C#CCCNC(=O)NCC1(c2ccc(OC)cc2)CCCCC1 ZINC000733343997 574617021 /nfs/dbraw/zinc/61/70/21/574617021.db2.gz QODACOIQTATVGD-UHFFFAOYSA-N 0 0 314.429 3.220 10 30 DGEERN C=CCCC(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 ZINC000733685391 574634395 /nfs/dbraw/zinc/63/43/95/574634395.db2.gz KFSXSCBCOHFTFG-CQSZACIVSA-N 0 0 305.765 3.182 10 30 DGEERN C#CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000733626120 574632847 /nfs/dbraw/zinc/63/28/47/574632847.db2.gz NKARTPLTZAVUSF-UHFFFAOYSA-N 0 0 305.337 3.495 10 30 DGEERN N#CCSc1ccccc1C(=O)Nc1ccc2nccn2c1 ZINC000733966605 574646046 /nfs/dbraw/zinc/64/60/46/574646046.db2.gz FIGXPSJWJHWYJQ-UHFFFAOYSA-N 0 0 308.366 3.202 10 30 DGEERN C=C(COC(=O)c1cc2c(cc(C)cc2C)[nH]1)C(=O)OCC ZINC000734028740 574647476 /nfs/dbraw/zinc/64/74/76/574647476.db2.gz MBYHSKXUZZMARM-UHFFFAOYSA-N 0 0 301.342 3.061 10 30 DGEERN C=C(COC(=O)COc1ccccc1C(C)(C)C)C(=O)OCC ZINC000734025367 574648338 /nfs/dbraw/zinc/64/83/38/574648338.db2.gz NGOGOHZLGILTAJ-UHFFFAOYSA-N 0 0 320.385 3.025 10 30 DGEERN C=C(COC(=O)c1cc2cc(F)ccc2s1)C(=O)OCC ZINC000734025467 574648478 /nfs/dbraw/zinc/64/84/78/574648478.db2.gz RITCKPBMQGWXNR-UHFFFAOYSA-N 0 0 308.330 3.317 10 30 DGEERN C#CCCNC(=O)[C@@H](CC)Cc1cccc(Br)c1 ZINC000735249142 574694475 /nfs/dbraw/zinc/69/44/75/574694475.db2.gz NIVVZSBBUVUMHC-ZDUSSCGKSA-N 0 0 308.219 3.157 10 30 DGEERN C=CCNC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N ZINC000735318974 574697657 /nfs/dbraw/zinc/69/76/57/574697657.db2.gz TURZIDVBGVSMCT-NSHDSACASA-N 0 0 324.833 3.166 10 30 DGEERN CCOCCCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735344921 574699174 /nfs/dbraw/zinc/69/91/74/574699174.db2.gz TWMDDNMUXSUTKT-UHFFFAOYSA-N 0 0 311.765 3.102 10 30 DGEERN C=CCCCN(C)Cn1cc(C)n(-c2ccccc2Cl)c1=O ZINC000736581277 574759629 /nfs/dbraw/zinc/75/96/29/574759629.db2.gz BBOAOKCBQLCVJO-UHFFFAOYSA-N 0 0 319.836 3.456 10 30 DGEERN C=CCCCN(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000736623474 574761608 /nfs/dbraw/zinc/76/16/08/574761608.db2.gz LDKVCUBGECKOOO-ZDUSSCGKSA-N 0 0 313.426 3.371 10 30 DGEERN C=CCCCN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000736605070 574760797 /nfs/dbraw/zinc/76/07/97/574760797.db2.gz YOKJBAWAYAOCRC-UHFFFAOYSA-N 0 0 307.337 3.383 10 30 DGEERN C=CCCCCCN(C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739930621 574916280 /nfs/dbraw/zinc/91/62/80/574916280.db2.gz NMALYUTXNWGFAW-QGZVFWFLSA-N 0 0 300.402 3.451 10 30 DGEERN C#CCSCCNC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000740039813 574920374 /nfs/dbraw/zinc/92/03/74/574920374.db2.gz UWBVYQAMDLUEAZ-IAGOWNOFSA-N 0 0 316.470 3.378 10 30 DGEERN C=CCNC(=S)N1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000741875861 574974642 /nfs/dbraw/zinc/97/46/42/574974642.db2.gz WOYXLWFEBVOEPU-ZBFHGGJFSA-N 0 0 304.459 3.126 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cc(-c3cc(C)cc(C)c3)[nH]n2)nc1 ZINC000728967499 575198347 /nfs/dbraw/zinc/19/83/47/575198347.db2.gz MGILSACATGYGHN-UHFFFAOYSA-N 0 0 316.364 3.322 10 30 DGEERN O=C(/C=C/c1cnn2ccccc12)c1ccc(-n2cccn2)cc1 ZINC000729643615 575258076 /nfs/dbraw/zinc/25/80/76/575258076.db2.gz DJPHOGZHOYOLBE-JXMROGBWSA-N 0 0 314.348 3.416 10 30 DGEERN CC(C)(C)SCCNC(=O)NCc1ccc(C#N)cc1F ZINC000729857659 575264441 /nfs/dbraw/zinc/26/44/41/575264441.db2.gz DQUCLXRUWIAMCJ-UHFFFAOYSA-N 0 0 309.410 3.028 10 30 DGEERN C=CCOCC(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000729895762 575265925 /nfs/dbraw/zinc/26/59/25/575265925.db2.gz ALPXWUUKUWDFQX-KRWDZBQOSA-N 0 0 301.317 3.056 10 30 DGEERN C=CCc1cc(C(=O)NC[C@H](C)C(C)C)cc(OC)c1OC ZINC000739629739 575269482 /nfs/dbraw/zinc/26/94/82/575269482.db2.gz HHOCALQLZQSXHU-ZDUSSCGKSA-N 0 0 305.418 3.454 10 30 DGEERN C#CCCOC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000727042369 576097068 /nfs/dbraw/zinc/09/70/68/576097068.db2.gz VTKIAPTZTFRPEP-UHFFFAOYSA-N 0 0 320.186 3.279 10 30 DGEERN Cc1ccc(N=NC2CCN(C(=O)CC(C)(C)C)CC2)nc1 ZINC000727259294 576116387 /nfs/dbraw/zinc/11/63/87/576116387.db2.gz BIWNTXISCMLFCS-UHFFFAOYSA-N 0 0 302.422 3.217 10 30 DGEERN CC(C)n1cc(C(C)N=Nc2ccc(Br)cn2)cn1 ZINC000727263120 576116826 /nfs/dbraw/zinc/11/68/26/576116826.db2.gz NVQKAHSNBRQFKJ-UHFFFAOYSA-N 0 0 322.210 3.458 10 30 DGEERN C=CCCO[C@H](C)C(=O)OCc1nc2cc(F)ccc2n1CC ZINC000727513081 576130767 /nfs/dbraw/zinc/13/07/67/576130767.db2.gz NRPIMLFKUAKNFV-GFCCVEGCSA-N 0 0 320.364 3.220 10 30 DGEERN CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(O)c(F)c1 ZINC000728427296 576181198 /nfs/dbraw/zinc/18/11/98/576181198.db2.gz BNCWCOSIOLZDSS-UHFFFAOYSA-N 0 0 317.217 3.319 10 30 DGEERN C=C(Br)CNC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000728749856 576198818 /nfs/dbraw/zinc/19/88/18/576198818.db2.gz YBZQFYUGLFHSAU-VXGBXAGGSA-N 0 0 303.244 3.409 10 30 DGEERN C#Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)nc1 ZINC000728804599 576206583 /nfs/dbraw/zinc/20/65/83/576206583.db2.gz QQBPJVGWOWGYKJ-SFHVURJKSA-N 0 0 302.333 3.175 10 30 DGEERN C=CC1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)CC1 ZINC000110967876 620657111 /nfs/dbraw/zinc/65/71/11/620657111.db2.gz CTVIFIPXFSOHEB-UKRRQHHQSA-N 0 0 324.465 3.350 10 30 DGEERN CC(C)c1noc2ncc(C(=O)O[C@@H](C#N)C(C)(C)C)cc21 ZINC000154398399 620668833 /nfs/dbraw/zinc/66/88/33/620668833.db2.gz IFYXZOZWEUNUDN-LBPRGKRZSA-N 0 0 301.346 3.441 10 30 DGEERN C#CCCCCNC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000154871304 620733600 /nfs/dbraw/zinc/73/36/00/620733600.db2.gz MGCJCFFNZRLMMZ-UHFFFAOYSA-N 0 0 302.418 3.257 10 30 DGEERN C=CCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000132813934 618002456 /nfs/dbraw/zinc/00/24/56/618002456.db2.gz NYRODQPVQIGHJC-JYJNAYRXSA-N 0 0 315.417 3.124 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000112148891 620794148 /nfs/dbraw/zinc/79/41/48/620794148.db2.gz RFTMMEYCMAVLQN-RHSMWYFYSA-N 0 0 306.365 3.213 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000112148876 620794364 /nfs/dbraw/zinc/79/43/64/620794364.db2.gz ATASVHVUONETSM-RHSMWYFYSA-N 0 0 312.413 3.023 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000014181252 618481360 /nfs/dbraw/zinc/48/13/60/618481360.db2.gz WAVFHLRWMYYIMF-BJMVGYQFSA-N 0 0 320.348 3.317 10 30 DGEERN Cc1cccc(NC(=O)CNc2ccc(F)cc2OCC#N)c1 ZINC000150762297 620393757 /nfs/dbraw/zinc/39/37/57/620393757.db2.gz JUHMJVZOISYPOU-UHFFFAOYSA-N 0 0 313.332 3.087 10 30 DGEERN C#C[C@H](OC(=O)[C@H](C)Oc1ccccc1Br)C1CC1 ZINC000152366256 620502889 /nfs/dbraw/zinc/50/28/89/620502889.db2.gz PJMSWIAXAYGLKW-GWCFXTLKSA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@@H](OC(=O)c1cc(OC)c(Br)s1)C1CC1 ZINC000152439284 620507515 /nfs/dbraw/zinc/50/75/15/620507515.db2.gz RAITVMANPABYCZ-MRVPVSSYSA-N 0 0 315.188 3.088 10 30 DGEERN C#C[C@@H](OC(=O)CCCOc1ccccc1OCC)C1CC1 ZINC000152580298 620513640 /nfs/dbraw/zinc/51/36/40/620513640.db2.gz WDZHPYQDOALEIG-OAHLLOKOSA-N 0 0 302.370 3.199 10 30 DGEERN C#C[C@@H](OC(=O)CCc1cc(Br)cs1)C1CC1 ZINC000152606815 620514467 /nfs/dbraw/zinc/51/44/67/620514467.db2.gz IYVAPVILWLWWPS-GFCCVEGCSA-N 0 0 313.216 3.398 10 30 DGEERN C#C[C@H](OC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000152704113 620518124 /nfs/dbraw/zinc/51/81/24/620518124.db2.gz MBJYDLWECVSQBB-HNNXBMFYSA-N 0 0 308.337 3.183 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H]1COc2ccccc21 ZINC000153106541 620533455 /nfs/dbraw/zinc/53/34/55/620533455.db2.gz RXZQQYXYIXSILS-SJKOYZFVSA-N 0 0 309.321 3.002 10 30 DGEERN N#C[C@H](COC(=O)COC1CCCCC1)Cc1cccs1 ZINC000153296737 620546979 /nfs/dbraw/zinc/54/69/79/620546979.db2.gz NVPLOVSAEKRAIO-CYBMUJFWSA-N 0 0 307.415 3.323 10 30 DGEERN CO[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1ccccc1 ZINC000153320253 620550260 /nfs/dbraw/zinc/55/02/60/620550260.db2.gz RTNYCHSANCCZKP-CZUORRHYSA-N 0 0 315.394 3.361 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000153426021 620562824 /nfs/dbraw/zinc/56/28/24/620562824.db2.gz XWBISVMGZNDKJT-CABZTGNLSA-N 0 0 309.749 3.083 10 30 DGEERN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)COC)c1 ZINC000103394421 621357034 /nfs/dbraw/zinc/35/70/34/621357034.db2.gz XNOWWHKRUMDYGZ-MRXNPFEDSA-N 0 0 307.393 3.484 10 30 DGEERN C=CCc1ccccc1OC(=O)c1ccc(N2CCCC2)nn1 ZINC000118912190 621581090 /nfs/dbraw/zinc/58/10/90/621581090.db2.gz AZLALFMDLAYEPP-UHFFFAOYSA-N 0 0 309.369 3.025 10 30 DGEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000119027823 621608392 /nfs/dbraw/zinc/60/83/92/621608392.db2.gz KVSYPWGKNDWLFD-FQEVSTJZSA-N 0 0 323.392 3.116 10 30 DGEERN C=CCCO[C@H](C)C(=O)OCc1cc(-c2ccccc2)n[nH]1 ZINC000119513928 621679907 /nfs/dbraw/zinc/67/99/07/621679907.db2.gz ALHMMNONNZATCZ-CYBMUJFWSA-N 0 0 300.358 3.101 10 30 DGEERN C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000120557609 621916494 /nfs/dbraw/zinc/91/64/94/621916494.db2.gz HINQHDUUCPYVNB-CRAIPNDOSA-N 0 0 319.360 3.113 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCSc1nccs1 ZINC000122747598 622399014 /nfs/dbraw/zinc/39/90/14/622399014.db2.gz AIHJVXXOSIMHQL-UHFFFAOYSA-N 0 0 317.439 3.235 10 30 DGEERN C#CCN(C(=O)NCCc1cc(F)ccc1F)C1CCCC1 ZINC000123580580 622601765 /nfs/dbraw/zinc/60/17/65/622601765.db2.gz NGZKHLAGNKDMSJ-UHFFFAOYSA-N 0 0 306.356 3.095 10 30 DGEERN C#CC[C@@H](OC(=O)CCCC[C@@H](C)C(C)=O)c1ccccn1 ZINC000123864137 622733595 /nfs/dbraw/zinc/73/35/95/622733595.db2.gz NHDZPSGFSWBBDH-RHSMWYFYSA-N 0 0 301.386 3.475 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000124111164 622919938 /nfs/dbraw/zinc/91/99/38/622919938.db2.gz VASRMMGSJYOHTM-UHFFFAOYSA-N 0 0 321.336 3.166 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCCC[C@@H](C)C(C)=O ZINC000124130067 622931183 /nfs/dbraw/zinc/93/11/83/622931183.db2.gz IEOQWXRNZAARLE-CQSZACIVSA-N 0 0 302.370 3.390 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1cccnc1 ZINC000124618990 623206411 /nfs/dbraw/zinc/20/64/11/623206411.db2.gz NDHFQXUGGWUOOM-OAHLLOKOSA-N 0 0 309.365 3.331 10 30 DGEERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(C#N)cc1C ZINC000127966436 624660955 /nfs/dbraw/zinc/66/09/55/624660955.db2.gz ALSNEDOYHNZIEP-IBGZPJMESA-N 0 0 322.408 3.371 10 30 DGEERN C#CCSCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000130064412 625811573 /nfs/dbraw/zinc/81/15/73/625811573.db2.gz LUZNBBZRCZFBJL-UHFFFAOYSA-N 0 0 303.358 3.182 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](C)C(C)(C)C#N ZINC000131080631 625939837 /nfs/dbraw/zinc/93/98/37/625939837.db2.gz ZASBQWGYTKMAOJ-AWEZNQCLSA-N 0 0 305.422 3.180 10 30 DGEERN C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)C(C)(C)C#N ZINC000131186531 625961208 /nfs/dbraw/zinc/96/12/08/625961208.db2.gz IWMSWRHAICSKSX-XUJVJEKNSA-N 0 0 314.385 3.376 10 30 DGEERN CCCCO[C@H](C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000103688443 626717357 /nfs/dbraw/zinc/71/73/57/626717357.db2.gz RNZWEGYEYFPELK-UKRRQHHQSA-N 0 0 307.365 3.256 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)OCC(C)(C)C ZINC000103700240 626733034 /nfs/dbraw/zinc/73/30/34/626733034.db2.gz CFUXDYJWEPJLQT-UHFFFAOYSA-N 0 0 305.374 3.315 10 30 DGEERN C#C[C@@H](OC(=O)CCc1cccc(Br)c1)C1CC1 ZINC000133987416 626848715 /nfs/dbraw/zinc/84/87/15/626848715.db2.gz GQWHUTLOJSLTSE-CQSZACIVSA-N 0 0 307.187 3.337 10 30 DGEERN C#C[C@H](OC(=O)CCc1c(C)nn(CC(C)C)c1C)C1CC1 ZINC000134003346 626850057 /nfs/dbraw/zinc/85/00/57/626850057.db2.gz FFHXAUGODXNGBK-KRWDZBQOSA-N 0 0 302.418 3.044 10 30 DGEERN N#Cc1ccc2ncc(/C=C/C(=O)c3ccc(F)c(F)c3)n2c1 ZINC000134287178 626870260 /nfs/dbraw/zinc/87/02/60/626870260.db2.gz KQOUMNSEYMKJGH-HWKANZROSA-N 0 0 309.275 3.380 10 30 DGEERN COc1ccc(C)cc1C(=O)/C=C/c1cnc2ccc(C#N)cn12 ZINC000134288348 626870391 /nfs/dbraw/zinc/87/03/91/626870391.db2.gz VKFUXALCUWVTOL-AATRIKPKSA-N 0 0 317.348 3.419 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000121550676 630696517 /nfs/dbraw/zinc/69/65/17/630696517.db2.gz LFIPHZHLVFKZGM-VMGRFDJRSA-N 0 0 322.364 3.055 10 30 DGEERN Oc1ccc(/C=N/Cc2ccc(Br)cc2)c(O)c1O ZINC000106586404 631343200 /nfs/dbraw/zinc/34/32/00/631343200.db2.gz NOPIQXVUCWMWSI-LZYBPNLTSA-N 0 0 322.158 3.185 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@@H](OC)c2ccccc2)c1 ZINC000107022230 631503711 /nfs/dbraw/zinc/50/37/11/631503711.db2.gz UECXPUZYOIYTLD-SFHVURJKSA-N 0 0 310.349 3.130 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](C)OCC1CC1 ZINC000107060047 631517397 /nfs/dbraw/zinc/51/73/97/631517397.db2.gz RAVFOVMSZPCBDM-KGLIPLIRSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1ccc(NC(=O)[C@@H](CC)c2c(C)noc2C)cc1 ZINC000108186423 631823418 /nfs/dbraw/zinc/82/34/18/631823418.db2.gz MQXNANAFRCDMJX-INIZCTEOSA-N 0 0 312.369 3.436 10 30 DGEERN N#CCCN(c1ccccc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000108759989 631918769 /nfs/dbraw/zinc/91/87/69/631918769.db2.gz KORBZAIDVUPHSI-NTCAYCPXSA-N 0 0 312.394 3.407 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000108838236 631947258 /nfs/dbraw/zinc/94/72/58/631947258.db2.gz CUJLBLFVRKGFLZ-GOSISDBHSA-N 0 0 306.365 3.298 10 30 DGEERN CC(C)(CC#N)COC(=O)CCc1nc(C2CCCC2)no1 ZINC000184763809 660186156 /nfs/dbraw/zinc/18/61/56/660186156.db2.gz VLMSMBHZSQTSHK-UHFFFAOYSA-N 0 0 305.378 3.143 10 30 DGEERN CC(C)(CC#N)COC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000184812081 660188509 /nfs/dbraw/zinc/18/85/09/660188509.db2.gz HUISDPGJZCXBJD-UHFFFAOYSA-N 0 0 319.311 3.247 10 30 DGEERN C#CCOc1cccc(COC(=O)CSCC(F)(F)F)c1 ZINC000156566735 658926620 /nfs/dbraw/zinc/92/66/20/658926620.db2.gz MRBLWVGDRROUFI-UHFFFAOYSA-N 0 0 318.316 3.037 10 30 DGEERN CCCCCCCCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173812892 659402534 /nfs/dbraw/zinc/40/25/34/659402534.db2.gz FNJBYNGPMDECHG-ZWKOTPCHSA-N 0 0 324.509 3.306 10 30 DGEERN C#CC[C@H](OC(=O)COc1c(C)cccc1C)c1ccccn1 ZINC000073294355 660261325 /nfs/dbraw/zinc/26/13/25/660261325.db2.gz DMFRXIWPGBKRHX-KRWDZBQOSA-N 0 0 309.365 3.385 10 30 DGEERN C=C[C@H](CC(=O)O[C@@H]1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000186157637 660321305 /nfs/dbraw/zinc/32/13/05/660321305.db2.gz YRZWNUMSHOJNGZ-SZVBFZGTSA-N 0 0 316.397 3.228 10 30 DGEERN C#Cc1cccc(N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000186612310 660553373 /nfs/dbraw/zinc/55/33/73/660553373.db2.gz RXJSSXCZGQRJLT-UHFFFAOYSA-N 0 0 300.361 3.234 10 30 DGEERN Cc1csc(C(C#N)C(=O)CCCOc2ccccc2)n1 ZINC000073976349 660578610 /nfs/dbraw/zinc/57/86/10/660578610.db2.gz HMCCZRXEZUXVLN-CQSZACIVSA-N 0 0 300.383 3.487 10 30 DGEERN CC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000029737869 660581806 /nfs/dbraw/zinc/58/18/06/660581806.db2.gz SIOAMJAGYPEHDL-ZDUSSCGKSA-N 0 0 309.321 3.134 10 30 DGEERN C#CCCCNC(=O)/C=C/c1ccc(C)cc1Br ZINC000700591878 660630096 /nfs/dbraw/zinc/63/00/96/660630096.db2.gz ADOKGOIPHJCONJ-CMDGGOBGSA-N 0 0 306.203 3.300 10 30 DGEERN C#C[C@H](CCC)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000700595537 660630203 /nfs/dbraw/zinc/63/02/03/660630203.db2.gz KCUAFTLPEKGPEU-SNVBAGLBSA-N 0 0 300.185 3.290 10 30 DGEERN N#C[C@H](NC(=O)c1ccccc1SC(F)(F)F)C1CC1 ZINC000701244657 660662468 /nfs/dbraw/zinc/66/24/68/660662468.db2.gz SPNIFIYTJKGFRR-JTQLQIEISA-N 0 0 300.305 3.330 10 30 DGEERN C=CCCN(Cc1nnc(C)n1C1CC1)OCc1ccccc1 ZINC000187375031 655545574 /nfs/dbraw/zinc/54/55/74/655545574.db2.gz GDPHJPBVYYGBCT-UHFFFAOYSA-N 0 0 312.417 3.431 10 30 DGEERN C=C[C@@H](C)OC(=O)CSc1nncn1-c1ccccc1CC ZINC000187512929 655550374 /nfs/dbraw/zinc/55/03/74/655550374.db2.gz ZAZIDVIFZODNPV-GFCCVEGCSA-N 0 0 317.414 3.040 10 30 DGEERN C#CC[C@@H](OC(=O)/C=C\c1ccc(OC)c(OC)c1)C(C)C ZINC000255034376 655567274 /nfs/dbraw/zinc/56/72/74/655567274.db2.gz XGHGTBJLNGEYBZ-ZHUYAKLQSA-N 0 0 302.370 3.308 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188301450 655580105 /nfs/dbraw/zinc/58/01/05/655580105.db2.gz QHWRVSSOJNYKHZ-MLGOLLRUSA-N 0 0 307.346 3.428 10 30 DGEERN COc1ccccc1/C=C(\C(=O)N[C@H](C)C#N)c1ccccc1 ZINC000255087084 655596013 /nfs/dbraw/zinc/59/60/13/655596013.db2.gz SGSASRSCAXDCLS-MTOJCTJASA-N 0 0 306.365 3.264 10 30 DGEERN C#CC[C@@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C(C)C ZINC000177719058 655628680 /nfs/dbraw/zinc/62/86/80/655628680.db2.gz DDJHYZWASVKCBQ-CYBMUJFWSA-N 0 0 311.422 3.271 10 30 DGEERN COc1cc(C(=O)O[C@@H](C#N)C(C)C)ccc1OCC(C)C ZINC000176045052 655737281 /nfs/dbraw/zinc/73/72/81/655737281.db2.gz HHBKCDQIHIQXFU-INIZCTEOSA-N 0 0 305.374 3.435 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000187584782 655809993 /nfs/dbraw/zinc/80/99/93/655809993.db2.gz IWKOLPSRWNNPQT-YJBOKZPZSA-N 0 0 319.376 3.280 10 30 DGEERN C=CCC[C@H](OC(=O)c1cc(C)nc2c1c(C)nn2C)C1CC1 ZINC000159634782 655849212 /nfs/dbraw/zinc/84/92/12/655849212.db2.gz RTSFGVRDGRYVON-HNNXBMFYSA-N 0 0 313.401 3.487 10 30 DGEERN CCCCc1oc2ccccc2c1C=CC(O)=C(C#N)C(=O)NC ZINC000255589036 655851026 /nfs/dbraw/zinc/85/10/26/655851026.db2.gz JBQZUJSJWHWKJH-WOLCWHLNSA-N 0 0 324.380 3.243 10 30 DGEERN N#C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000177010867 655886271 /nfs/dbraw/zinc/88/62/71/655886271.db2.gz BSGJGJCHAFINCN-RDBSUJKOSA-N 0 0 320.186 3.398 10 30 DGEERN CCOc1cc(NCc2cnc3ccc(C#N)cn23)ccc1OC ZINC000177553846 655932009 /nfs/dbraw/zinc/93/20/09/655932009.db2.gz HRSIUAXSLFOYOE-UHFFFAOYSA-N 0 0 322.368 3.225 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)O1 ZINC000177694061 655940050 /nfs/dbraw/zinc/94/00/50/655940050.db2.gz CFHAGZFPTUQOBW-BREBYQMCSA-N 0 0 319.311 3.175 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@@H](C)Sc2nncn2C)CC1 ZINC000177695434 655940593 /nfs/dbraw/zinc/94/05/93/655940593.db2.gz YSWFNVHIXMKBNK-TZMCWYRMSA-N 0 0 321.446 3.142 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)OCc1cccc(OC)c1)C(C)C ZINC000177720850 655943262 /nfs/dbraw/zinc/94/32/62/655943262.db2.gz JTMHXHVSWLIBOP-PBHICJAKSA-N 0 0 304.386 3.191 10 30 DGEERN Cc1ccc(C#N)cc1OS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255887311 655950294 /nfs/dbraw/zinc/95/02/94/655950294.db2.gz UDIXBZVQKJKOCA-HJWRWDBZSA-N 0 0 317.341 3.385 10 30 DGEERN CC(C)(C#N)COC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000190880786 656164217 /nfs/dbraw/zinc/16/42/17/656164217.db2.gz XHIQLZKMDBUNIG-UHFFFAOYSA-N 0 0 301.264 3.221 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1ccc(N2CCCC2)nc1 ZINC000195042828 656208024 /nfs/dbraw/zinc/20/80/24/656208024.db2.gz QEQJEBFDLYBLGD-UHFFFAOYSA-N 0 0 301.390 3.169 10 30 DGEERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(C)(C)CCC#N ZINC000195056708 656208395 /nfs/dbraw/zinc/20/83/95/656208395.db2.gz XQIPBNJMFFFMPZ-GFCCVEGCSA-N 0 0 305.422 3.089 10 30 DGEERN COc1ccc(OC)c(CC(=O)OCC(C)(C)CCC#N)c1 ZINC000195097194 656209191 /nfs/dbraw/zinc/20/91/91/656209191.db2.gz PDFFSKZICRGOFJ-UHFFFAOYSA-N 0 0 305.374 3.119 10 30 DGEERN N#C[C@H](COC(=O)Cc1cccc(F)c1)Cc1ccc(F)cc1 ZINC000194542634 656226687 /nfs/dbraw/zinc/22/66/87/656226687.db2.gz MJQRAXZIHZEVHA-OAHLLOKOSA-N 0 0 315.319 3.433 10 30 DGEERN C=CCCCC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000188334376 656534927 /nfs/dbraw/zinc/53/49/27/656534927.db2.gz QMPRRZQYLQWCGC-KBPBESRZSA-N 0 0 310.438 3.247 10 30 DGEERN CN(C)Cc1csc(CNc2cc(Cl)ccc2C#N)n1 ZINC000722392443 656655362 /nfs/dbraw/zinc/65/53/62/656655362.db2.gz WFOUQUHWHKAFSH-UHFFFAOYSA-N 0 0 306.822 3.342 10 30 DGEERN C=CCCN(Cc1nsc(N(C)C)n1)OCc1ccccc1 ZINC000187385668 661286815 /nfs/dbraw/zinc/28/68/15/661286815.db2.gz JMTNWKYJHXIJDK-UHFFFAOYSA-N 0 0 318.446 3.114 10 30 DGEERN Cc1cccc(OS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000048660001 657284218 /nfs/dbraw/zinc/28/42/18/657284218.db2.gz IUYBJDDFJJOGAC-UHFFFAOYSA-N 0 0 307.758 3.288 10 30 DGEERN C=C[C@@H](CC)OC(=O)Cn1c(CSC)nc2ccccc21 ZINC000183648953 657381970 /nfs/dbraw/zinc/38/19/70/657381970.db2.gz ILKAELZZBQUDJX-LBPRGKRZSA-N 0 0 304.415 3.407 10 30 DGEERN C=CCc1ccc(OC(=O)c2cc(C(=O)OC)co2)c(OC)c1 ZINC000183791576 657382398 /nfs/dbraw/zinc/38/23/98/657382398.db2.gz QNSKTUVZLKXWRK-UHFFFAOYSA-N 0 0 316.309 3.023 10 30 DGEERN CC#CCCCCOC(=O)c1cccnc1OCC(F)(F)F ZINC000183940412 657384243 /nfs/dbraw/zinc/38/42/43/657384243.db2.gz VVFGOTIEZAWFFG-UHFFFAOYSA-N 0 0 315.291 3.373 10 30 DGEERN C#CCOc1ccccc1NCC(=O)Nc1cc(F)cc(F)c1 ZINC000184620788 657387048 /nfs/dbraw/zinc/38/70/48/657387048.db2.gz OSYYWYKYRPTCOB-UHFFFAOYSA-N 0 0 316.307 3.027 10 30 DGEERN C#CCN(C(=O)N[C@@H]1CCCO[C@@H]1CC(C)C)C1CCCC1 ZINC000186226492 657405696 /nfs/dbraw/zinc/40/56/96/657405696.db2.gz IIWPQCQZBUNPMQ-IAGOWNOFSA-N 0 0 306.450 3.168 10 30 DGEERN C=CCn1c(C)nn(CN(C)CCc2ccc(F)cc2)c1=S 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C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1OC)C1CCCC1 ZINC000163655477 658893122 /nfs/dbraw/zinc/89/31/22/658893122.db2.gz IXTBFQQVXBKARD-ZDUSSCGKSA-N 0 0 318.392 3.483 10 30 DGEERN C#CCN(C(=O)NCC1(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000163706121 658895280 /nfs/dbraw/zinc/89/52/80/658895280.db2.gz WQOQQPFDRBMCMJ-UHFFFAOYSA-N 0 0 314.404 3.445 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000163890976 658903803 /nfs/dbraw/zinc/90/38/03/658903803.db2.gz OOIULMYVGVXOOW-UHFFFAOYSA-N 0 0 319.408 3.179 10 30 DGEERN C#CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C1CCCC1 ZINC000163863216 658904633 /nfs/dbraw/zinc/90/46/33/658904633.db2.gz NQAORRFCSHNLDR-HOCLYGCPSA-N 0 0 303.352 3.473 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000156498077 658924759 /nfs/dbraw/zinc/92/47/59/658924759.db2.gz NJAHNGLABPSKKK-CYBMUJFWSA-N 0 0 301.321 3.311 10 30 DGEERN COc1cc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)ccc1F ZINC000191333438 658930539 /nfs/dbraw/zinc/93/05/39/658930539.db2.gz JRCFGTLWNKKPEG-SOFGYWHQSA-N 0 0 303.337 3.077 10 30 DGEERN C#CCOCCC(=O)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000166071451 659014072 /nfs/dbraw/zinc/01/40/72/659014072.db2.gz LOTMZCBXNIEEKI-IBGZPJMESA-N 0 0 312.340 3.498 10 30 DGEERN Cc1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)cc1 ZINC000171349227 659275761 /nfs/dbraw/zinc/27/57/61/659275761.db2.gz GUXGCGDSVZEBMM-VOTSOKGWSA-N 0 0 314.410 3.184 10 30 DGEERN CC(C)Oc1ccc(CCCOC(=O)CSCC#N)cc1 ZINC000171497753 659283735 /nfs/dbraw/zinc/28/37/35/659283735.db2.gz PTWOPEDGNNVGRJ-UHFFFAOYSA-N 0 0 307.415 3.206 10 30 DGEERN C#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000172722258 659352635 /nfs/dbraw/zinc/35/26/35/659352635.db2.gz VBFIXRZTTCTSRD-IRXDYDNUSA-N 0 0 319.360 3.181 10 30 DGEERN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cccc2cc[nH]c21 ZINC000173967844 659406519 /nfs/dbraw/zinc/40/65/19/659406519.db2.gz FQJMPTKUAUECSZ-HNNXBMFYSA-N 0 0 303.321 3.129 10 30 DGEERN C#C[C@@H](C)OC(=O)CCSc1ccc(Br)cc1 ZINC000174418918 659433167 /nfs/dbraw/zinc/43/31/67/659433167.db2.gz 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660130559 /nfs/dbraw/zinc/13/05/59/660130559.db2.gz BTFZNEKKXGOMQE-UHFFFAOYSA-N 0 0 305.378 3.143 10 30 DGEERN C[C@@H]1CCc2c(C(=O)OCC3(C#N)CCOCC3)csc2C1 ZINC000183908938 660146563 /nfs/dbraw/zinc/14/65/63/660146563.db2.gz FQPWKUYJZCASOU-GFCCVEGCSA-N 0 0 319.426 3.350 10 30 DGEERN Cc1ccc(CCCC(=O)OCC2(C#N)CCOCC2)s1 ZINC000183946491 660148605 /nfs/dbraw/zinc/14/86/05/660148605.db2.gz YSJJNOXPVREHEL-UHFFFAOYSA-N 0 0 307.415 3.243 10 30 DGEERN C[C@@]1(C(=O)OCC2(C#N)CCOCC2)CCCc2ccccc21 ZINC000183978613 660151128 /nfs/dbraw/zinc/15/11/28/660151128.db2.gz JVFBBSCKVDQDJJ-GOSISDBHSA-N 0 0 313.397 3.144 10 30 DGEERN CCCCCCCCC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000155233935 661843804 /nfs/dbraw/zinc/84/38/04/661843804.db2.gz CLVGJIXIZNSFJC-INIZCTEOSA-N 0 0 302.418 3.180 10 30 DGEERN CC(C)Cc1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)NC(C)C)cc1 ZINC000156100103 661858313 /nfs/dbraw/zinc/85/83/13/661858313.db2.gz NCWDCPDIHLUXHO-PBHICJAKSA-N 0 0 314.429 3.222 10 30 DGEERN C[C@H]1C[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000157711025 661868523 /nfs/dbraw/zinc/86/85/23/661868523.db2.gz OJPQRXNOJXJPKR-WHFBIAKZSA-N 0 0 314.172 3.357 10 30 DGEERN C=CCC[C@@H](OC(=O)c1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000159492230 661889118 /nfs/dbraw/zinc/88/91/18/661889118.db2.gz AOMLLXOISFGYRE-MRXNPFEDSA-N 0 0 322.426 3.382 10 30 DGEERN C=CCC[C@@H](OC(=O)CCNC(=O)c1cccs1)C1CC1 ZINC000159533032 661889858 /nfs/dbraw/zinc/88/98/58/661889858.db2.gz LVHRXJFGBONGMH-CYBMUJFWSA-N 0 0 307.415 3.156 10 30 DGEERN C=CCC[C@H](OC(=O)CCNC(=O)c1cccs1)C1CC1 ZINC000159532868 661889936 /nfs/dbraw/zinc/88/99/36/661889936.db2.gz LVHRXJFGBONGMH-ZDUSSCGKSA-N 0 0 307.415 3.156 10 30 DGEERN C=CCC[C@H](OC(=O)CN(C)C(=O)c1cccs1)C1CC1 ZINC000159602000 661891046 /nfs/dbraw/zinc/89/10/46/661891046.db2.gz LOXLLPZGNDZDIX-ZDUSSCGKSA-N 0 0 307.415 3.108 10 30 DGEERN C=CCC[C@@H](OC(=O)C[C@H](C)NC(=O)C1CCCC1)C1CC1 ZINC000159590446 661891141 /nfs/dbraw/zinc/89/11/41/661891141.db2.gz STEAEYVUHZVEHI-XJKSGUPXSA-N 0 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QMPRRZQYLQWCGC-KGLIPLIRSA-N 0 0 310.438 3.247 10 30 DGEERN C#CCN(CC#C)C(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000075391778 661927976 /nfs/dbraw/zinc/92/79/76/661927976.db2.gz NSBNDWFHTPRIFW-UHFFFAOYSA-N 0 0 322.433 3.010 10 30 DGEERN C#CCOc1ccccc1NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189956979 661998984 /nfs/dbraw/zinc/99/89/84/661998984.db2.gz NDHISKSNWOJMEQ-UHFFFAOYSA-N 0 0 320.348 3.441 10 30 DGEERN C=CCOCCCC(=O)Oc1cc(Cl)ccc1C(=O)OC ZINC000076814394 662000068 /nfs/dbraw/zinc/00/00/68/662000068.db2.gz YZUAHGXCGVLQMW-UHFFFAOYSA-N 0 0 312.749 3.015 10 30 DGEERN CCC[C@@H](C)C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000076914025 662005439 /nfs/dbraw/zinc/00/54/39/662005439.db2.gz XKEBEOSPMZTFQL-CYBMUJFWSA-N 0 0 312.369 3.465 10 30 DGEERN COc1ccc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)cc1 ZINC000078007507 662049187 /nfs/dbraw/zinc/04/91/87/662049187.db2.gz RTCTUPRTPBBDPS-VMPITWQZSA-N 0 0 303.321 3.111 10 30 DGEERN N#Cc1ccc2ncc(/C=C3\C(=O)Nc4cc(Cl)ccc43)n2c1 ZINC000078007504 662049408 /nfs/dbraw/zinc/04/94/08/662049408.db2.gz FBILRCNXGGDHBK-NSIKDUERSA-N 0 0 320.739 3.352 10 30 DGEERN C#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)OC ZINC000192188568 662090774 /nfs/dbraw/zinc/09/07/74/662090774.db2.gz LOHKXQDMZRONSY-UHFFFAOYSA-N 0 0 313.275 3.234 10 30 DGEERN C=CCC1(C(=O)OC[C@H]2CCCN2c2ccc(C)nn2)CCC1 ZINC000192238537 662092770 /nfs/dbraw/zinc/09/27/70/662092770.db2.gz JAPMICHQRLTOAC-OAHLLOKOSA-N 0 0 315.417 3.043 10 30 DGEERN CC(C)CCO[C@@H](C)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079220025 662104658 /nfs/dbraw/zinc/10/46/58/662104658.db2.gz SCCPWLWWSLHDTC-DOTOQJQBSA-N 0 0 303.402 3.363 10 30 DGEERN CC(C)CCO[C@@H](C)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079220020 662104701 /nfs/dbraw/zinc/10/47/01/662104701.db2.gz SCCPWLWWSLHDTC-RDJZCZTQSA-N 0 0 303.402 3.363 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000080004024 662127024 /nfs/dbraw/zinc/12/70/24/662127024.db2.gz GQCKAXNDWJRECA-UHFFFAOYSA-N 0 0 319.339 3.474 10 30 DGEERN CN(Cc1cn2ccccc2c1C#N)Cc1ccc(Cl)nc1 ZINC000080911559 662155743 /nfs/dbraw/zinc/15/57/43/662155743.db2.gz OQKGCIXPMUEOHE-UHFFFAOYSA-N 0 0 310.788 3.491 10 30 DGEERN CCN(c1ccc(NC(=O)c2cc(C#N)cn2C)cc1)C(C)C ZINC000080938723 662156541 /nfs/dbraw/zinc/15/65/41/662156541.db2.gz JXWTWFKPPNABAY-UHFFFAOYSA-N 0 0 310.401 3.384 10 30 DGEERN C=CCOc1ccc(OC(=O)c2ccc([S@](C)=O)cc2)cc1 ZINC000081323736 662164805 /nfs/dbraw/zinc/16/48/05/662164805.db2.gz RPCPILJWIFOXJZ-JOCHJYFZSA-N 0 0 316.378 3.208 10 30 DGEERN C=CCOc1ccc(OC(=O)CCCNC(=O)C(C)(C)C)cc1 ZINC000081323904 662164861 /nfs/dbraw/zinc/16/48/61/662164861.db2.gz CRFMJUNVYZBHPR-UHFFFAOYSA-N 0 0 319.401 3.099 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1c(F)cccc1F)c1ccccn1 ZINC000088809772 662235429 /nfs/dbraw/zinc/23/54/29/662235429.db2.gz HECOJCOWQIVDTQ-MRXNPFEDSA-N 0 0 301.292 3.210 10 30 DGEERN C[C@@H](OC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)C(C)(C)C#N ZINC000245545197 662235746 /nfs/dbraw/zinc/23/57/46/662235746.db2.gz MPPDBFXKURCQAK-LALPHHSUSA-N 0 0 314.385 3.376 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccc(F)cc1F)Cc1ccccc1 ZINC000088818325 662235805 /nfs/dbraw/zinc/23/58/05/662235805.db2.gz LXRLNNXTLQIUFX-CQSZACIVSA-N 0 0 315.319 3.433 10 30 DGEERN N#C[C@H](COC(=O)[C@H]1CC1(Cl)Cl)Cc1cccs1 ZINC000089302951 662241364 /nfs/dbraw/zinc/24/13/64/662241364.db2.gz NADVYRPTOCPGPK-PSASIEDQSA-N 0 0 304.198 3.167 10 30 DGEERN N#C[C@H](COC(=O)CCCc1ccccn1)Cc1cccs1 ZINC000089300411 662241425 /nfs/dbraw/zinc/24/14/25/662241425.db2.gz XQFBCPJVTBOKLO-CQSZACIVSA-N 0 0 314.410 3.391 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000089319474 662241671 /nfs/dbraw/zinc/24/16/71/662241671.db2.gz DZDGTTYFMFQWFA-WBVHZDCISA-N 0 0 315.413 3.437 10 30 DGEERN C=CCC[C@@H](C)OC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000089319920 662241901 /nfs/dbraw/zinc/24/19/01/662241901.db2.gz QFSLBYSFCLFJBQ-CYBMUJFWSA-N 0 0 301.386 3.476 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000089321046 662242047 /nfs/dbraw/zinc/24/20/47/662242047.db2.gz KAGGLKRCEONOHO-ZDUSSCGKSA-N 0 0 318.369 3.319 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nc(C)cs2)c1 ZINC000246367208 662255438 /nfs/dbraw/zinc/25/54/38/662255438.db2.gz QOYAZQMNMAGZQG-KKUMJFAQSA-N 0 0 312.394 3.440 10 30 DGEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 ZINC000247186215 662302441 /nfs/dbraw/zinc/30/24/41/662302441.db2.gz MDGWFZOZOGPJGW-BZSNNMDCSA-N 0 0 324.424 3.245 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000091693154 662313008 /nfs/dbraw/zinc/31/30/08/662313008.db2.gz CMAGXDQVUOQFLC-AWEZNQCLSA-N 0 0 303.358 3.347 10 30 DGEERN C[C@H](C#N)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000091966253 662326023 /nfs/dbraw/zinc/32/60/23/662326023.db2.gz FZORDQKXVUDHTA-GSVOUGTGSA-N 0 0 312.971 3.337 10 30 DGEERN C#C[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000174435013 685105886 /nfs/dbraw/zinc/10/58/86/685105886.db2.gz FCSICOPIWSIYQD-GHMZBOCLSA-N 0 0 311.175 3.090 10 30 DGEERN O=C(Cn1ncc(=O)c2ccccc21)N[C@@H]1CC12CCCCC2 ZINC000329097459 1176819580 /nfs/dbraw/zinc/81/95/80/1176819580.db2.gz CGUDQUWCMXRDQX-MRXNPFEDSA-N 0 0 311.385 3.076 10 30 DGEERN CN(CCOCC1CC1)c1ccc(C#N)c(Br)c1 ZINC000228191984 1177036725 /nfs/dbraw/zinc/03/67/25/1177036725.db2.gz YQOMFBRHIWRFMR-UHFFFAOYSA-N 0 0 309.207 3.184 10 30 DGEERN C#C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)C ZINC000394297931 1197721095 /nfs/dbraw/zinc/72/10/95/1197721095.db2.gz PLOODVZNBZLRAL-LBPRGKRZSA-N 0 0 305.321 3.050 10 30 DGEERN CC[C@@H]1CN(c2cc(Br)ccc2C#N)CCCO1 ZINC000305949819 1199693407 /nfs/dbraw/zinc/69/34/07/1199693407.db2.gz NBWGWTCYIRELIF-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN N#Cc1cncnc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000312243141 1199749086 /nfs/dbraw/zinc/74/90/86/1199749086.db2.gz HGQDBSNIWCRMFU-UHFFFAOYSA-N 0 0 311.084 3.356 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1cc(C#N)ccc1C ZINC000315086606 1199800020 /nfs/dbraw/zinc/80/00/20/1199800020.db2.gz JYKXBLLFMKEQJL-UHFFFAOYSA-N 0 0 306.431 3.282 10 30 DGEERN C#CCCCCC(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000119970034 1200127443 /nfs/dbraw/zinc/12/74/43/1200127443.db2.gz HCMURDNIXZRNIA-UHFFFAOYSA-N 0 0 310.401 3.075 10 30 DGEERN C[C@H](Nc1cc(Br)ccc1C#N)C(=O)NC(C)(C)C ZINC000123397985 1200277187 /nfs/dbraw/zinc/27/71/87/1200277187.db2.gz HSOQZQULQGBTAH-VIFPVBQESA-N 0 0 324.222 3.036 10 30 DGEERN COCC1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123285559 1200278014 /nfs/dbraw/zinc/27/80/14/1200278014.db2.gz ZEBGVZFMUBOVPH-UHFFFAOYSA-N 0 0 309.207 3.184 10 30 DGEERN C=CCOc1cccc(CNc2ccc(-n3ccnn3)cc2)c1 ZINC000126887404 1200643933 /nfs/dbraw/zinc/64/39/33/1200643933.db2.gz IBUZIMHQUJJLGN-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN N#Cc1ccc(Br)cc1NCc1ccc(CO)cc1 ZINC000227489596 1201145315 /nfs/dbraw/zinc/14/53/15/1201145315.db2.gz RRFHYOYZASSWQW-UHFFFAOYSA-N 0 0 317.186 3.425 10 30 DGEERN C#C[C@@H](CCC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000229958724 1202460389 /nfs/dbraw/zinc/46/03/89/1202460389.db2.gz MGKNRCZDXFJSBS-VIFPVBQESA-N 0 0 306.214 3.074 10 30 DGEERN N#Cc1ccc(NCC[C@H]2CCCO2)c(F)c1Br ZINC000231845471 1202600317 /nfs/dbraw/zinc/60/03/17/1202600317.db2.gz PFJUCBUVQKKYJV-SNVBAGLBSA-N 0 0 313.170 3.441 10 30 DGEERN N#Cc1ccc(NCC2(O)CCCC2)c(F)c1Br ZINC000231863901 1202600446 /nfs/dbraw/zinc/60/04/46/1202600446.db2.gz JTSHPHBBLBRYAX-UHFFFAOYSA-N 0 0 313.170 3.177 10 30 DGEERN CC(C)C[C@@H](O)CNc1ccc(C#N)c(Br)c1F ZINC000231864076 1202600448 /nfs/dbraw/zinc/60/04/48/1202600448.db2.gz GUVJPQLAQAIKAU-SNVBAGLBSA-N 0 0 315.186 3.279 10 30 DGEERN N#Cc1ccc(NCCOCC2CC2)c(F)c1Br ZINC000236210106 1202605172 /nfs/dbraw/zinc/60/51/72/1202605172.db2.gz IQURAWMJKFWWGU-UHFFFAOYSA-N 0 0 313.170 3.298 10 30 DGEERN COc1ccc(/C(C)=C\C(=O)NC2(C#N)CCSCC2)cc1 ZINC000255628062 1203851678 /nfs/dbraw/zinc/85/16/78/1203851678.db2.gz GVCPQEZPANZCQZ-QBFSEMIESA-N 0 0 316.426 3.004 10 30 DGEERN N#CCCCCNC(=O)NCc1nc(-c2ccccc2)cs1 ZINC000171738985 1203854136 /nfs/dbraw/zinc/85/41/36/1203854136.db2.gz VQTXTMJPOSGRNK-UHFFFAOYSA-N 0 0 314.414 3.303 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000180750158 1204334233 /nfs/dbraw/zinc/33/42/33/1204334233.db2.gz JSBJPKZLYAIUJV-AWEZNQCLSA-N 0 0 317.433 3.414 10 30 DGEERN CC(C)OCCCCNC(=O)c1cccc(SCC#N)c1 ZINC000182379765 1204341344 /nfs/dbraw/zinc/34/13/44/1204341344.db2.gz VSJQVTSYNMVBJF-UHFFFAOYSA-N 0 0 306.431 3.237 10 30 DGEERN COc1ccc(/C=C(/C)C(=O)N(C)C2(C#N)CCC2)cc1F ZINC000588441250 1082284987 /nfs/dbraw/zinc/28/49/87/1082284987.db2.gz ZUBASIAGFCKTMZ-XFXZXTDPSA-N 0 0 302.349 3.142 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588444504 1082289088 /nfs/dbraw/zinc/28/90/88/1082289088.db2.gz YTJMJNYYVFHHDD-VWLVURMCSA-N 0 0 301.346 3.006 10 30 DGEERN C#CCOc1cccc(COC(=O)/C=C\c2ncccc2C)c1 ZINC000588456454 1082333690 /nfs/dbraw/zinc/33/36/90/1082333690.db2.gz ZFKAAVFOIKFEOS-KTKRTIGZSA-N 0 0 307.349 3.159 10 30 DGEERN C#CCC(C)(C)COC(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000588456753 1082334570 /nfs/dbraw/zinc/33/45/70/1082334570.db2.gz KJMMMOLIKRZJNR-NTMALXAHSA-N 0 0 302.370 3.310 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000588456800 1082334691 /nfs/dbraw/zinc/33/46/91/1082334691.db2.gz CHELLNOLFDVQIJ-CMUBDUJZSA-N 0 0 316.364 3.166 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)OCCSC(F)(F)F ZINC000588492872 1082474090 /nfs/dbraw/zinc/47/40/90/1082474090.db2.gz DAWSICLSSCZCBC-WAYWQWQTSA-N 0 0 301.289 3.368 10 30 DGEERN COc1cc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)ccc1F ZINC000588579441 1082732136 /nfs/dbraw/zinc/73/21/36/1082732136.db2.gz JRCFGTLWNKKPEG-VURMDHGXSA-N 0 0 303.337 3.077 10 30 DGEERN Cc1cncc(C=CC(=O)[C@@H](C#N)c2cnc3ccccc3n2)c1 ZINC000588587434 1082812202 /nfs/dbraw/zinc/81/22/02/1082812202.db2.gz DXDZKONRRODJJB-XHPSBEMXSA-N 0 0 314.348 3.223 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000176399664 1087724771 /nfs/dbraw/zinc/72/47/71/1087724771.db2.gz JKZYNENTYGDNHW-UHFFFAOYSA-N 0 0 307.325 3.464 10 30 DGEERN COc1cccc(C#CCOC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000176594054 1088129944 /nfs/dbraw/zinc/12/99/44/1088129944.db2.gz PAAPALIWWYPUJO-UHFFFAOYSA-N 0 0 324.351 3.461 10 30 DGEERN COC[C@H]1CCCCN1c1cc(Br)ccc1C#N ZINC000307765537 1094263529 /nfs/dbraw/zinc/26/35/29/1094263529.db2.gz AUZYRLNWPDJWJC-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN N#Cc1ccc(NCCN2C(=O)Cc3ccccc32)cc1Cl ZINC000110474381 1094979083 /nfs/dbraw/zinc/97/90/83/1094979083.db2.gz JKJXYIHLCFXMSI-UHFFFAOYSA-N 0 0 311.772 3.213 10 30 DGEERN CCC[C@@H](CCO)Nc1ccc(C#N)c(Br)c1F ZINC000716795059 1101242633 /nfs/dbraw/zinc/24/26/33/1101242633.db2.gz KXCXQALMRXTYKG-JTQLQIEISA-N 0 0 315.186 3.423 10 30 DGEERN CCC[C@H](CCO)Nc1ccc(C#N)c(Br)c1F ZINC000716795061 1101242834 /nfs/dbraw/zinc/24/28/34/1101242834.db2.gz KXCXQALMRXTYKG-SNVBAGLBSA-N 0 0 315.186 3.423 10 30 DGEERN C#CCN(C(=O)c1cccc(F)c1Br)C(C)(C)C ZINC000723028859 1105334596 /nfs/dbraw/zinc/33/45/96/1105334596.db2.gz UWLSKRBWNDEVRQ-UHFFFAOYSA-N 0 0 312.182 3.462 10 30 DGEERN C#C[C@@](C)(CC)NC(=O)COc1ccc(Cl)cc1Cl ZINC000700584145 1108837592 /nfs/dbraw/zinc/83/75/92/1108837592.db2.gz NDRFXYWQFVWFCW-AWEZNQCLSA-N 0 0 300.185 3.290 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nnc(CC(C)C)s1 ZINC000162459494 197568022 /nfs/dbraw/zinc/56/80/22/197568022.db2.gz BNPJTTWBRNUIBX-UHFFFAOYSA-N 0 0 300.387 3.169 10 30 DGEERN N#Cc1ccc(NC(=O)c2coc(Br)c2)cc1F ZINC000307994169 231095166 /nfs/dbraw/zinc/09/51/66/231095166.db2.gz AIBZHAPGGCKTIC-UHFFFAOYSA-N 0 0 309.094 3.305 10 30 DGEERN CCCCn1c(C)c(C)nc1[S@](=O)Cc1ccc(C#N)cc1 ZINC000083079446 185212866 /nfs/dbraw/zinc/21/28/66/185212866.db2.gz LOLQBWIJJOSJIW-QFIPXVFZSA-N 0 0 315.442 3.480 10 30 DGEERN CCc1cc(C#N)c(NC(=O)c2cc(C)nc(OC)c2)s1 ZINC000443413399 529510055 /nfs/dbraw/zinc/51/00/55/529510055.db2.gz GFXXZWIMJUOEMS-UHFFFAOYSA-N 0 0 301.371 3.147 10 30 DGEERN CC[C@H](C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000112889566 529584620 /nfs/dbraw/zinc/58/46/20/529584620.db2.gz QWCJNHMJGMSBFJ-WCBMZHEXSA-N 0 0 301.173 3.179 10 30 DGEERN CN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302691901 529985398 /nfs/dbraw/zinc/98/53/98/529985398.db2.gz CRELAXOBRYAPHB-UHFFFAOYSA-N 0 0 302.721 3.151 10 30 DGEERN CCc1nc(CNC(=O)Nc2cc(C#N)ccc2C)cs1 ZINC000107815957 185493329 /nfs/dbraw/zinc/49/33/29/185493329.db2.gz CBGXGKBIZIPRCK-UHFFFAOYSA-N 0 0 300.387 3.207 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NC[C@@H](O)C1CCCCC1 ZINC000115516822 185690199 /nfs/dbraw/zinc/69/01/99/185690199.db2.gz BYOUJJZDDSBCEX-GFCCVEGCSA-N 0 0 313.323 3.325 10 30 DGEERN C=CC[C@@](Cc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)OC ZINC000139145003 186020320 /nfs/dbraw/zinc/02/03/20/186020320.db2.gz VWKVFUKKQTYTLP-SFHVURJKSA-N 0 0 319.401 3.242 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000277272922 213411747 /nfs/dbraw/zinc/41/17/47/213411747.db2.gz BNORCPJFXLJOAM-HNNXBMFYSA-N 0 0 301.386 3.142 10 30 DGEERN CCCN(CCc1ccccn1)C(=O)c1ccc(C#N)cc1C ZINC000163899529 186141538 /nfs/dbraw/zinc/14/15/38/186141538.db2.gz BLFAUWSONCYSFM-UHFFFAOYSA-N 0 0 307.397 3.357 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCO[C@H]1C ZINC000191850344 186263580 /nfs/dbraw/zinc/26/35/80/186263580.db2.gz PBPJLBOUTJOLAF-JQWIXIFHSA-N 0 0 323.776 3.331 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000172484016 198104032 /nfs/dbraw/zinc/10/40/32/198104032.db2.gz FMEXAILYUNAFCN-UHFFFAOYSA-N 0 0 308.397 3.206 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 ZINC000067320658 432029483 /nfs/dbraw/zinc/02/94/83/432029483.db2.gz YWAPXNAMICBUJS-INIZCTEOSA-N 0 0 304.390 3.284 10 30 DGEERN COc1cc(F)c([C@@H](C)NCc2ccc(C#N)o2)cc1OC ZINC000174394887 198330199 /nfs/dbraw/zinc/33/01/99/198330199.db2.gz USTLRWCMQJJMCB-SNVBAGLBSA-N 0 0 304.321 3.158 10 30 DGEERN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(C#N)c2)c1 ZINC000003603823 181039008 /nfs/dbraw/zinc/03/90/08/181039008.db2.gz UILUVXBNQDFMJU-RMKNXTFCSA-N 0 0 308.337 3.227 10 30 DGEERN COc1cccc(C(=O)NN=c2sc3ccccc3n2C)c1 ZINC000005173607 181212972 /nfs/dbraw/zinc/21/29/72/181212972.db2.gz CEMDDVRYOASWAE-VLGSPTGOSA-N 0 0 313.382 3.069 10 30 DGEERN N#Cc1ccc(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000179376632 432055228 /nfs/dbraw/zinc/05/52/28/432055228.db2.gz ZNVFNCXAOXBTGI-GOSISDBHSA-N 0 0 308.356 3.434 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CCc1cccs1 ZINC000081298053 192247011 /nfs/dbraw/zinc/24/70/11/192247011.db2.gz BTRROXSHQPQORP-ZDUSSCGKSA-N 0 0 314.410 3.088 10 30 DGEERN N#Cc1ccc(N[C@H]2CCCOc3c(Cl)cccc32)nn1 ZINC000301998862 283181105 /nfs/dbraw/zinc/18/11/05/283181105.db2.gz IJYSWJKXGQOQSV-ZDUSSCGKSA-N 0 0 300.749 3.327 10 30 DGEERN N#Cc1ccc2ncc(CN3CCS[C@H]4CCCC[C@H]43)n2c1 ZINC000245688042 283201298 /nfs/dbraw/zinc/20/12/98/283201298.db2.gz AWSURMLFLRGIDT-CVEARBPZSA-N 0 0 312.442 3.066 10 30 DGEERN N#Cc1ccc2ncc(CN3CCc4c(Cl)cccc4C3)n2c1 ZINC000123823670 283201315 /nfs/dbraw/zinc/20/13/15/283201315.db2.gz PLYRTBBYJJHVRH-UHFFFAOYSA-N 0 0 322.799 3.418 10 30 DGEERN N#Cc1cccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000114499728 283211184 /nfs/dbraw/zinc/21/11/84/283211184.db2.gz RLXGFOKLIFUHFK-QGZVFWFLSA-N 0 0 316.426 3.069 10 30 DGEERN CC(C)COC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177911976 198787179 /nfs/dbraw/zinc/78/71/79/198787179.db2.gz YMRGQQZJDPFPCP-UHFFFAOYSA-N 0 0 319.380 3.366 10 30 DGEERN N#Cc1ccnc(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000283384436 283219485 /nfs/dbraw/zinc/21/94/85/283219485.db2.gz KHGWZFQVYLJGKX-UHFFFAOYSA-N 0 0 303.365 3.425 10 30 DGEERN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCn3nc(CC)nc32)cc1 ZINC000167784187 432066819 /nfs/dbraw/zinc/06/68/19/432066819.db2.gz WTIHYCORYIXSBB-RHSMWYFYSA-N 0 0 324.428 3.038 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)c1nc(C)sc1C ZINC000179225473 199001015 /nfs/dbraw/zinc/00/10/15/199001015.db2.gz OEOQALFNCOPJRX-UHFFFAOYSA-N 0 0 301.371 3.283 10 30 DGEERN CC[C@@H](C)NC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000179514990 199048639 /nfs/dbraw/zinc/04/86/39/199048639.db2.gz CVNOMENYYYPRQI-NEPJUHHUSA-N 0 0 306.431 3.103 10 30 DGEERN N#Cc1nccn1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000179880794 199090610 /nfs/dbraw/zinc/09/06/10/199090610.db2.gz CRSAEDUEPVDVKN-IBGZPJMESA-N 0 0 322.412 3.193 10 30 DGEERN N#Cc1cccc(Cl)c1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186144191 199920697 /nfs/dbraw/zinc/92/06/97/199920697.db2.gz DYBLDDYFWGPJMM-KBPBESRZSA-N 0 0 318.829 3.485 10 30 DGEERN CCCn1c(C)nnc1SCc1ccc(OC)c(C#N)c1 ZINC000089637491 192832276 /nfs/dbraw/zinc/83/22/76/192832276.db2.gz QSOMBMZJKYJSGC-UHFFFAOYSA-N 0 0 302.403 3.169 10 30 DGEERN N#Cc1cccc(C2(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)c1 ZINC000435259253 238287038 /nfs/dbraw/zinc/28/70/38/238287038.db2.gz HKPJSQNUTGQZHV-CQSZACIVSA-N 0 0 304.340 3.284 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000435988272 238379730 /nfs/dbraw/zinc/37/97/30/238379730.db2.gz GAQALSCLNFJUHC-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000436001675 238381309 /nfs/dbraw/zinc/38/13/09/238381309.db2.gz GINTWUMBICCYBC-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)nn1-c1ccc(C)cc1 ZINC000436003355 238381322 /nfs/dbraw/zinc/38/13/22/238381322.db2.gz HDUAFQXUDGOHFW-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN Cn1cc(CCC(=O)Nc2cc(C#N)ccn2)c2ccccc21 ZINC000436008329 238383747 /nfs/dbraw/zinc/38/37/47/238383747.db2.gz QOAXQLFJBNQCKU-UHFFFAOYSA-N 0 0 304.353 3.016 10 30 DGEERN Cn1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c2cc(F)ccc21 ZINC000435912959 238370249 /nfs/dbraw/zinc/37/02/49/238370249.db2.gz FFXMEGGQHNGVAB-INIZCTEOSA-N 0 0 313.376 3.472 10 30 DGEERN CC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCC#N)CCC#N ZINC000006298090 181327177 /nfs/dbraw/zinc/32/71/77/181327177.db2.gz JKYWCIMIHJKLCN-UHFFFAOYSA-N 0 0 319.792 3.153 10 30 DGEERN Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000193259530 201014578 /nfs/dbraw/zinc/01/45/78/201014578.db2.gz ZFIFYHBDUSRFBX-SFHVURJKSA-N 0 0 305.381 3.109 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccoc1Br ZINC000194499733 201238473 /nfs/dbraw/zinc/23/84/73/201238473.db2.gz WSOIWTBAQCILKQ-UHFFFAOYSA-N 0 0 312.085 3.233 10 30 DGEERN N#Cc1ccc(CN2CCc3ccc(Br)cc32)o1 ZINC000180751608 432098285 /nfs/dbraw/zinc/09/82/85/432098285.db2.gz WLNCWHUFXYZUJT-UHFFFAOYSA-N 0 0 303.159 3.476 10 30 DGEERN Cc1cccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c1C#N ZINC000441990032 239078347 /nfs/dbraw/zinc/07/83/47/239078347.db2.gz QUTGPLNFIXAURX-UHFFFAOYSA-N 0 0 318.442 3.212 10 30 DGEERN CS[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000247254779 202659337 /nfs/dbraw/zinc/65/93/37/202659337.db2.gz XYFBCKBGMISNGA-BPLDGKMQSA-N 0 0 318.442 3.116 10 30 DGEERN CC(C)C[C@@H]1COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180854463 432102631 /nfs/dbraw/zinc/10/26/31/432102631.db2.gz VJQYVFDWCRIBOU-QGZVFWFLSA-N 0 0 312.413 3.129 10 30 DGEERN COC[C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101338 192988872 /nfs/dbraw/zinc/98/88/72/192988872.db2.gz DPTGRYYQECXOAL-AWEZNQCLSA-N 0 0 308.381 3.124 10 30 DGEERN CC1CCN(c2cccc(NC(=O)c3ccc(C#N)n3C)c2)CC1 ZINC000449919452 240480608 /nfs/dbraw/zinc/48/06/08/240480608.db2.gz QEFRLLMPFJCMEY-UHFFFAOYSA-N 0 0 322.412 3.385 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451229721 241053209 /nfs/dbraw/zinc/05/32/09/241053209.db2.gz NDIQOZMTNNVCRF-UHFFFAOYSA-N 0 0 324.421 3.205 10 30 DGEERN CCCC[C@H](C)N(C)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451573290 241177152 /nfs/dbraw/zinc/17/71/52/241177152.db2.gz YGGAWOBYXIBSID-LBPRGKRZSA-N 0 0 312.410 3.038 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@](C)(F)C1 ZINC000452205346 241352353 /nfs/dbraw/zinc/35/23/53/241352353.db2.gz JGTQNBGFNDRBGU-KRWDZBQOSA-N 0 0 307.365 3.224 10 30 DGEERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(C#N)cn1C ZINC000080978944 283907116 /nfs/dbraw/zinc/90/71/16/283907116.db2.gz UKLOSDYDCVWLPP-JTQLQIEISA-N 0 0 303.312 3.008 10 30 DGEERN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(C#N)cn2C)C2CC2)o1 ZINC000081012331 283907907 /nfs/dbraw/zinc/90/79/07/283907907.db2.gz SRTUQZPMDKSVDF-MLGOLLRUSA-N 0 0 323.396 3.418 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000452169097 241337672 /nfs/dbraw/zinc/33/76/72/241337672.db2.gz NHIHYMZZICTVOL-HAQNSBGRSA-N 0 0 313.788 3.226 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000452778268 241515668 /nfs/dbraw/zinc/51/56/68/241515668.db2.gz XKWMGSJAQLZIPX-UHFFFAOYSA-N 0 0 302.374 3.127 10 30 DGEERN N#CC1CCC(CNC(=O)NC[C@@H]2CCCCC2(F)F)CC1 ZINC000454911407 242063791 /nfs/dbraw/zinc/06/37/91/242063791.db2.gz MACOYIQUWVSTPL-RUXDESIVSA-N 0 0 313.392 3.441 10 30 DGEERN CCc1nc(C)c(NC(=O)NCc2ccc(C#N)c(F)c2)s1 ZINC000455200410 242132382 /nfs/dbraw/zinc/13/23/82/242132382.db2.gz HJOZXZCXAPBXOX-UHFFFAOYSA-N 0 0 318.377 3.346 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000455380400 242184637 /nfs/dbraw/zinc/18/46/37/242184637.db2.gz IQLJHXGLZYEYJP-KDOFPFPSSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@](O)(C(F)F)C1 ZINC000455380315 242184837 /nfs/dbraw/zinc/18/48/37/242184837.db2.gz HXSLRXDENSTDOD-MRXNPFEDSA-N 0 0 310.344 3.039 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H](CC)[C@H](O)C(F)F ZINC000455381785 242185941 /nfs/dbraw/zinc/18/59/41/242185941.db2.gz KBKKUQPCZNXELY-OCCSQVGLSA-N 0 0 312.360 3.331 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](CO)[C@@H]1CC ZINC000455384087 242186011 /nfs/dbraw/zinc/18/60/11/242186011.db2.gz NPXGUVOJIVUHEW-RDJZCZTQSA-N 0 0 302.418 3.430 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](CO)[C@H]1CC ZINC000455384085 242186370 /nfs/dbraw/zinc/18/63/70/242186370.db2.gz NPXGUVOJIVUHEW-DOTOQJQBSA-N 0 0 302.418 3.430 10 30 DGEERN C=CCCCCCN(C)C(=O)NCC1(CF)CCOCC1 ZINC000455387377 242187696 /nfs/dbraw/zinc/18/76/96/242187696.db2.gz YHIUSRVTVOUSDU-UHFFFAOYSA-N 0 0 300.418 3.141 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000455540818 242228431 /nfs/dbraw/zinc/22/84/31/242228431.db2.gz WQEGPRNCYFQSFS-KSZLIROESA-N 0 0 316.445 3.197 10 30 DGEERN CO[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455769447 242280120 /nfs/dbraw/zinc/28/01/20/242280120.db2.gz LLZRUVXPLVYYQQ-NEPJUHHUSA-N 0 0 319.405 3.280 10 30 DGEERN C=C(C)CCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000456116859 242353329 /nfs/dbraw/zinc/35/33/29/242353329.db2.gz FNPDXWBPGSBARQ-UHFFFAOYSA-N 0 0 309.356 3.095 10 30 DGEERN C=CCC1(NC(=O)c2cccc(-n3cncn3)c2)CCCCC1 ZINC000456362558 242429964 /nfs/dbraw/zinc/42/99/64/242429964.db2.gz HPMIVLKKEAYYPU-UHFFFAOYSA-N 0 0 310.401 3.276 10 30 DGEERN C=CCC[C@@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)OCC ZINC000456637714 242512556 /nfs/dbraw/zinc/51/25/56/242512556.db2.gz ZNIRHUFZGHZNJF-CYBMUJFWSA-N 0 0 307.390 3.032 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000456766956 242549154 /nfs/dbraw/zinc/54/91/54/242549154.db2.gz JAUZSEQJNLACDR-ZBFHGGJFSA-N 0 0 307.459 3.247 10 30 DGEERN C[C@H](CC(C)(C)C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000457194263 242684577 /nfs/dbraw/zinc/68/45/77/242684577.db2.gz OMQMJZPQGMYHAV-SJKOYZFVSA-N 0 0 310.438 3.189 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000457728049 242855585 /nfs/dbraw/zinc/85/55/85/242855585.db2.gz HBZVMVOLTSLZTA-ZJUUUORDSA-N 0 0 302.827 3.089 10 30 DGEERN C=C(CNC(=O)NC[C@H]1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000458769346 243151683 /nfs/dbraw/zinc/15/16/83/243151683.db2.gz WUTUQDXZHIRSLQ-WMZOPIPTSA-N 0 0 316.445 3.450 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000458740212 243144406 /nfs/dbraw/zinc/14/44/06/243144406.db2.gz RDXCAOFCJUKXKX-BPUTZDHNSA-N 0 0 322.836 3.212 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC(=O)c1ccc(OCCC)cc1 ZINC000468023713 244015989 /nfs/dbraw/zinc/01/59/89/244015989.db2.gz CFRPXNZNQHJTNZ-AWEZNQCLSA-N 0 0 303.402 3.377 10 30 DGEERN C=CCCCN(C)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000468904844 244071949 /nfs/dbraw/zinc/07/19/49/244071949.db2.gz HAEQZSAKWHXPMS-UHFFFAOYSA-N 0 0 308.466 3.132 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)NCCCCC(=O)OC ZINC000483851684 244879338 /nfs/dbraw/zinc/87/93/38/244879338.db2.gz AVCXDYFYPSZUKZ-UHFFFAOYSA-N 0 0 310.438 3.108 10 30 DGEERN CCC(CC)[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 ZINC000096336615 193614499 /nfs/dbraw/zinc/61/44/99/193614499.db2.gz IDACNJWGDACRRH-AWEZNQCLSA-N 0 0 324.384 3.497 10 30 DGEERN C=C(C)CNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000488544618 245206980 /nfs/dbraw/zinc/20/69/80/245206980.db2.gz MRZOWIVUKBRWHV-UHFFFAOYSA-N 0 0 323.234 3.401 10 30 DGEERN N#Cc1ccc(CSCC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000488972587 245258216 /nfs/dbraw/zinc/25/82/16/245258216.db2.gz GJWIYFDICXBTEF-AWEZNQCLSA-N 0 0 324.396 3.486 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000124181254 284254388 /nfs/dbraw/zinc/25/43/88/284254388.db2.gz AJFXQONSODCMRD-ZDUSSCGKSA-N 0 0 318.380 3.244 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)CCC1 ZINC000190120059 432124355 /nfs/dbraw/zinc/12/43/55/432124355.db2.gz DCXYCXIBCOBLCL-UHFFFAOYSA-N 0 0 323.396 3.430 10 30 DGEERN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000181325427 432124295 /nfs/dbraw/zinc/12/42/95/432124295.db2.gz OPHLECNZKOFDHQ-ZDUSSCGKSA-N 0 0 316.364 3.439 10 30 DGEERN Cc1cccc2c1N(C(=O)[C@@H](C)Oc1ccccc1C#N)CC2 ZINC000125502361 284277426 /nfs/dbraw/zinc/27/74/26/284277426.db2.gz WLXUDVHRAJTFCU-CQSZACIVSA-N 0 0 306.365 3.223 10 30 DGEERN COc1ccccc1O[C@H](C)CNC(=O)c1ccc(C#N)cc1C ZINC000126060870 284291919 /nfs/dbraw/zinc/29/19/19/284291919.db2.gz KJMYFDPWCSJBEG-CQSZACIVSA-N 0 0 324.380 3.073 10 30 DGEERN C=CCNC(=S)NC(=O)c1ccc(OCCCCCC)cc1 ZINC000014028673 181920826 /nfs/dbraw/zinc/92/08/26/181920826.db2.gz LVMKSANWVGYVEX-UHFFFAOYSA-N 0 0 320.458 3.436 10 30 DGEERN COc1ccc2c(CC(=O)Nc3ccccc3C#N)coc2c1 ZINC000015311744 181995939 /nfs/dbraw/zinc/99/59/39/181995939.db2.gz LLGGUHDTLVAHJI-UHFFFAOYSA-N 0 0 306.321 3.494 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000135127334 335019440 /nfs/dbraw/zinc/01/94/40/335019440.db2.gz FWDYRNDALBNLKV-AEFFLSMTSA-N 0 0 303.402 3.197 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000274651261 211793971 /nfs/dbraw/zinc/79/39/71/211793971.db2.gz VANVTNHMWULJBA-ZBFHGGJFSA-N 0 0 303.402 3.052 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192761 432131968 /nfs/dbraw/zinc/13/19/68/432131968.db2.gz YMOPIKAIARMYCS-ZDUSSCGKSA-N 0 0 318.383 3.097 10 30 DGEERN C=C(C)CN1C(=O)COc2ccc(-c3csc(C)n3)cc21 ZINC000020162614 182194006 /nfs/dbraw/zinc/19/40/06/182194006.db2.gz HESGFXGAGLWJFI-UHFFFAOYSA-N 0 0 300.383 3.420 10 30 DGEERN C#CCNC(=O)[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505280 182225908 /nfs/dbraw/zinc/22/59/08/182225908.db2.gz DWRWTBWFXGFPOC-ZETCQYMHSA-N 0 0 305.592 3.197 10 30 DGEERN C=CCC[C@H](O)CN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494061309 246108429 /nfs/dbraw/zinc/10/84/29/246108429.db2.gz VTGUZUWHYPITLP-INIZCTEOSA-N 0 0 304.821 3.437 10 30 DGEERN COc1cccc([C@H]2C[C@@H](O)CN2c2ccc(F)cc2C#N)c1 ZINC000283673015 217713006 /nfs/dbraw/zinc/71/30/06/217713006.db2.gz YJMQARBSOLMJPI-CRAIPNDOSA-N 0 0 312.344 3.018 10 30 DGEERN CC#CCCCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000274362918 211548544 /nfs/dbraw/zinc/54/85/44/211548544.db2.gz SRVFQXTZXJWTDI-UHFFFAOYSA-N 0 0 310.397 3.122 10 30 DGEERN N#Cc1cnc(NC2CCCCC2)nc1NC(=O)c1ccccc1 ZINC000035066971 182750470 /nfs/dbraw/zinc/75/04/70/182750470.db2.gz ORVPYNKOKJOWKF-UHFFFAOYSA-N 0 0 321.384 3.345 10 30 DGEERN CS(=O)(=O)Oc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000035239489 182764528 /nfs/dbraw/zinc/76/45/28/182764528.db2.gz HJZBIJOEVWFQKD-WCIBSUBMSA-N 0 0 320.341 3.060 10 30 DGEERN C=CCNC(=O)c1ccccc1NCc1ccc(C#N)c(F)c1 ZINC000190335682 432145430 /nfs/dbraw/zinc/14/54/30/432145430.db2.gz XXSZOEXOTJXELZ-UHFFFAOYSA-N 0 0 309.344 3.225 10 30 DGEERN CC(=O)Nc1cc(F)c(F)cc1NCC#Cc1ccccc1 ZINC000190365491 432148030 /nfs/dbraw/zinc/14/80/30/432148030.db2.gz PBOGZBGAUSVEIF-UHFFFAOYSA-N 0 0 300.308 3.387 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H](C#N)Nc1ccccc1Br ZINC000037938575 182940356 /nfs/dbraw/zinc/94/03/56/182940356.db2.gz ZQWJXEJPTCKWKJ-CYBMUJFWSA-N 0 0 319.206 3.476 10 30 DGEERN CCCn1c2ccccc2n(Cc2ccc(OC)c(C#N)c2)c1=O ZINC000152921156 284647840 /nfs/dbraw/zinc/64/78/40/284647840.db2.gz RJHMGIWALFXTIT-UHFFFAOYSA-N 0 0 321.380 3.142 10 30 DGEERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179836629 296266813 /nfs/dbraw/zinc/26/68/13/296266813.db2.gz LONJWUQRCVSTTI-GMXABZIVSA-N 0 0 304.777 3.026 10 30 DGEERN CCCCCCC/C=C/[C@H](O)[C@H](CO)NC(=O)CCCCC ZINC000043300347 183352281 /nfs/dbraw/zinc/35/22/81/183352281.db2.gz XYHQCLGFWJDLCH-CPQFKCLQSA-N 0 0 313.482 3.321 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccs2)C1 ZINC000268356474 206654833 /nfs/dbraw/zinc/65/48/33/206654833.db2.gz BHXORYIUJSQRIL-CQSZACIVSA-N 0 0 315.354 3.106 10 30 DGEERN CN(CCCOc1ccccc1)C(=O)Cc1cccc(C#N)c1 ZINC000531147994 269687155 /nfs/dbraw/zinc/68/71/55/269687155.db2.gz YGTDACPWZWYYNO-UHFFFAOYSA-N 0 0 308.381 3.028 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000058643823 184125673 /nfs/dbraw/zinc/12/56/73/184125673.db2.gz OEHFWXFZIUHHQK-HNNXBMFYSA-N 0 0 323.352 3.212 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCC(OCC(C)C)CC2)c1 ZINC000273200020 210577831 /nfs/dbraw/zinc/57/78/31/210577831.db2.gz LBBHXNWNPVUDHZ-UHFFFAOYSA-N 0 0 300.402 3.402 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1sccc1C#N ZINC000066709818 184425679 /nfs/dbraw/zinc/42/56/79/184425679.db2.gz GCHCFBQBFPZJOJ-SWLSCSKDSA-N 0 0 312.394 3.222 10 30 DGEERN N#Cc1ccccc1OCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114439301 194656517 /nfs/dbraw/zinc/65/65/17/194656517.db2.gz FKNPCJHPRTYHSN-IBGZPJMESA-N 0 0 310.397 3.286 10 30 DGEERN C[C@H]1C[C@H]1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114686157 194679634 /nfs/dbraw/zinc/67/96/34/194679634.db2.gz WOCXOSNLEISDQK-SUMWQHHRSA-N 0 0 306.365 3.275 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000118703276 194916842 /nfs/dbraw/zinc/91/68/42/194916842.db2.gz WBOIQTRIAPPDKB-LBPRGKRZSA-N 0 0 324.384 3.345 10 30 DGEERN Cc1ccc([C@@H](C)NC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000175239961 252689136 /nfs/dbraw/zinc/68/91/36/252689136.db2.gz JMRBOUJONNVEKQ-OAHLLOKOSA-N 0 0 323.396 3.306 10 30 DGEERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(C#N)cc1Br ZINC000248822810 285028136 /nfs/dbraw/zinc/02/81/36/285028136.db2.gz JGDZIEFNRMTKDR-GNXNZQSNSA-N 0 0 323.234 3.054 10 30 DGEERN CCNC(=O)c1ccc(NCc2c(F)cc(C#N)cc2F)cc1 ZINC000194417001 252760946 /nfs/dbraw/zinc/76/09/46/252760946.db2.gz DXFRKURFKNTZNX-UHFFFAOYSA-N 0 0 315.323 3.198 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000119705010 195022283 /nfs/dbraw/zinc/02/22/83/195022283.db2.gz YTUCFHUSLOGKRS-OAHLLOKOSA-N 0 0 324.384 3.254 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1F ZINC000343769772 254186642 /nfs/dbraw/zinc/18/66/42/254186642.db2.gz JZGFCNJADDPZIJ-FUHWJXTLSA-N 0 0 314.335 3.144 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCC=C(c3ccncc3)C2)c1 ZINC000343924607 254202889 /nfs/dbraw/zinc/20/28/89/254202889.db2.gz XFXYMXIUQDTDTN-UHFFFAOYSA-N 0 0 303.365 3.450 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000156042053 197083063 /nfs/dbraw/zinc/08/30/63/197083063.db2.gz BIKXSIFBVNKFMF-XPGWFJOJSA-N 0 0 322.408 3.054 10 30 DGEERN N#Cc1ccccc1CN1CC2(C1)C[C@H](OCC1CC1)CS2 ZINC000247663427 257118555 /nfs/dbraw/zinc/11/85/55/257118555.db2.gz URBHDBPOXITJJY-KRWDZBQOSA-N 0 0 314.454 3.045 10 30 DGEERN C=CCO[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccc2ccccc2n1 ZINC000253376629 257106249 /nfs/dbraw/zinc/10/62/49/257106249.db2.gz UNJNNEAMONPGBJ-VAMGGRTRSA-N 0 0 324.424 3.169 10 30 DGEERN COc1cccc(N2CCC[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1 ZINC000329811262 533576809 /nfs/dbraw/zinc/57/68/09/533576809.db2.gz CRLNGZBSZBDROL-GJZGRUSLSA-N 0 0 318.417 3.047 10 30 DGEERN COc1cc(C)c(S(=O)(=O)NCCCCC#N)cc1C(C)C ZINC000193860844 533599704 /nfs/dbraw/zinc/59/97/04/533599704.db2.gz SFSIOCCKVYVIAZ-UHFFFAOYSA-N 0 0 324.446 3.099 10 30 DGEERN C=C[C@@H](NCC/C=C/c1ccc(Br)cc1)C(=O)OC ZINC000600603477 400105182 /nfs/dbraw/zinc/10/51/82/400105182.db2.gz KHAYXBFRRGZQTR-YVARQFDVSA-N 0 0 324.218 3.170 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCCCC2)[C@H]1C(C)C ZINC000616234006 400105644 /nfs/dbraw/zinc/10/56/44/400105644.db2.gz LGIPEPPFLHTSKX-IAGOWNOFSA-N 0 0 320.477 3.275 10 30 DGEERN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000584807693 400107193 /nfs/dbraw/zinc/10/71/93/400107193.db2.gz LAGHJXAOJAMQOB-HOCLYGCPSA-N 0 0 312.392 3.183 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C)c2ccccc12 ZINC000616260555 400111910 /nfs/dbraw/zinc/11/19/10/400111910.db2.gz KAUNZILZEONHLH-LJQANCHMSA-N 0 0 324.424 3.235 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC000616274163 400115608 /nfs/dbraw/zinc/11/56/08/400115608.db2.gz NMKWHMFMTVBFGH-OAHLLOKOSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000584850641 400116717 /nfs/dbraw/zinc/11/67/17/400116717.db2.gz PYRHHOWGIZLNFN-OAHLLOKOSA-N 0 0 302.418 3.069 10 30 DGEERN C=CCN(CC1CCCCC1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000581577393 400081276 /nfs/dbraw/zinc/08/12/76/400081276.db2.gz CIDPOMOCYTXALV-UHFFFAOYSA-N 0 0 324.490 3.468 10 30 DGEERN C=CCn1c(N2CCCC[C@@H](CCOC)C2)nnc1C(C)(C)C ZINC000581635851 400081355 /nfs/dbraw/zinc/08/13/55/400081355.db2.gz XRNPSHFNDFIFEX-HNNXBMFYSA-N 0 0 320.481 3.405 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccnn1-c1cc(C)ccn1 ZINC000581734800 400082057 /nfs/dbraw/zinc/08/20/57/400082057.db2.gz WXJUTBVXENVFAE-UHFFFAOYSA-N 0 0 313.405 3.444 10 30 DGEERN Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000616111948 400085102 /nfs/dbraw/zinc/08/51/02/400085102.db2.gz XRGABOXWXGMIKN-UHFFFAOYSA-N 0 0 323.400 3.338 10 30 DGEERN Cc1cc(C#N)nc(N(C)CCc2cccc3ccccc32)n1 ZINC000587749548 400173823 /nfs/dbraw/zinc/17/38/23/400173823.db2.gz KISSKRUODMEBGN-UHFFFAOYSA-N 0 0 302.381 3.489 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(O)(CC#Cc2ccsc2)CC1 ZINC000616580945 400177134 /nfs/dbraw/zinc/17/71/34/400177134.db2.gz ANPSEBSDDXAKLO-UHFFFAOYSA-N 0 0 321.442 3.252 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000328614563 400182480 /nfs/dbraw/zinc/18/24/80/400182480.db2.gz AJVQOEOPUWIIQN-VVLHAWIVSA-N 0 0 311.385 3.010 10 30 DGEERN N#Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616610067 400184488 /nfs/dbraw/zinc/18/44/88/400184488.db2.gz LMSHSVPMCXSXNA-KRWDZBQOSA-N 0 0 312.394 3.084 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](OC)C1CCCC1 ZINC000616300985 400121539 /nfs/dbraw/zinc/12/15/39/400121539.db2.gz HUROBKNLNGLROF-QZTJIDSGSA-N 0 0 301.430 3.495 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000608814874 400123852 /nfs/dbraw/zinc/12/38/52/400123852.db2.gz JZBKWSBOSROTHI-ZDUSSCGKSA-N 0 0 315.398 3.144 10 30 DGEERN CC(C)C[C@@H](C#N)NC(=O)c1csc(Br)c1 ZINC000608825912 400126427 /nfs/dbraw/zinc/12/64/27/400126427.db2.gz WOAKHLKSPWNTHB-VIFPVBQESA-N 0 0 301.209 3.179 10 30 DGEERN Cc1nc(-c2ccc(CNc3nccnc3C#N)cc2)cs1 ZINC000608831018 400127560 /nfs/dbraw/zinc/12/75/60/400127560.db2.gz FHGFIUCNZANFCP-UHFFFAOYSA-N 0 0 307.382 3.392 10 30 DGEERN N#Cc1cc(S(=O)(=O)N(C2CC2)C2CCCCC2)ccc1F ZINC000609134240 400142873 /nfs/dbraw/zinc/14/28/73/400142873.db2.gz OVRVHDQASOSTGA-UHFFFAOYSA-N 0 0 322.405 3.183 10 30 DGEERN CN(C(=O)COc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585810162 400143697 /nfs/dbraw/zinc/14/36/97/400143697.db2.gz PTKFZJLGEULWMD-UHFFFAOYSA-N 0 0 308.381 3.331 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2n1CC#N ZINC000609169247 400147538 /nfs/dbraw/zinc/14/75/38/400147538.db2.gz WMUQYWQRTBCUOB-SFHVURJKSA-N 0 0 308.385 3.223 10 30 DGEERN Cc1noc(C(C)C)c1C(=O)NCc1ccc(C#N)cc1F ZINC000609228898 400152796 /nfs/dbraw/zinc/15/27/96/400152796.db2.gz MPTFEJFHZGDPAX-UHFFFAOYSA-N 0 0 301.321 3.047 10 30 DGEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(C#N)cc1 ZINC000609240168 400154365 /nfs/dbraw/zinc/15/43/65/400154365.db2.gz QEZFZIYAZOVBSX-LBPRGKRZSA-N 0 0 322.343 3.129 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)c(F)c1 ZINC000609254506 400155937 /nfs/dbraw/zinc/15/59/37/400155937.db2.gz VUAJIVXYLFLVGS-UHFFFAOYSA-N 0 0 312.279 3.030 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cc(F)c(F)cc2F)c(F)c1 ZINC000609254060 400155961 /nfs/dbraw/zinc/15/59/61/400155961.db2.gz HNLLOBHKXFIYHX-UHFFFAOYSA-N 0 0 323.249 3.436 10 30 DGEERN Cc1ccccc1CC1CN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000586795332 400158693 /nfs/dbraw/zinc/15/86/93/400158693.db2.gz LGQRCVLGRFRJSK-UHFFFAOYSA-N 0 0 308.356 3.321 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1Cl ZINC000015361586 400164839 /nfs/dbraw/zinc/16/48/39/400164839.db2.gz ZFHZKTXPESQSCI-LBPRGKRZSA-N 0 0 314.772 3.295 10 30 DGEERN N#C[C@H]1CCCC[C@@H]1NCc1ncc(Br)s1 ZINC000595693813 400229851 /nfs/dbraw/zinc/22/98/51/400229851.db2.gz JOJBFYLNETXLIE-BDAKNGLRSA-N 0 0 300.225 3.078 10 30 DGEERN C=CCOCCCc1nc([C@@H](Cc2ccccc2)OC)no1 ZINC000351139606 400235374 /nfs/dbraw/zinc/23/53/74/400235374.db2.gz HJJGNMADHXTEIM-OAHLLOKOSA-N 0 0 302.374 3.135 10 30 DGEERN C=CCC1(c2nc([C@@H](C)C(=O)OC(C)(C)C)no2)CCOCC1 ZINC000351288470 400245136 /nfs/dbraw/zinc/24/51/36/400245136.db2.gz INNKTFCWDUHWIN-GFCCVEGCSA-N 0 0 322.405 3.139 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(S(C)(=O)=O)s2)no1 ZINC000351310128 400246726 /nfs/dbraw/zinc/24/67/26/400246726.db2.gz QAVBZAQORZQBTQ-VIFPVBQESA-N 0 0 312.416 3.271 10 30 DGEERN C=CCC1(c2nc(CCC3CCOCC3)no2)CCOCC1 ZINC000351315928 400247765 /nfs/dbraw/zinc/24/77/65/400247765.db2.gz UPDNZUMTPWJHFG-UHFFFAOYSA-N 0 0 306.406 3.053 10 30 DGEERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000026134309 400252307 /nfs/dbraw/zinc/25/23/07/400252307.db2.gz NRQBGLYONGJWAM-LBPRGKRZSA-N 0 0 307.353 3.008 10 30 DGEERN CC[C@@H](C)[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)C(N)=O ZINC000092684998 400194800 /nfs/dbraw/zinc/19/48/00/400194800.db2.gz WDZXWKKIRJMMAI-PSLIRLAXSA-N 0 0 316.792 3.072 10 30 DGEERN CC(C)(C)OC(=O)N1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616660813 400195567 /nfs/dbraw/zinc/19/55/67/400195567.db2.gz XTBVDWRBPJOHBS-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN CC(C)(C)OC(=O)N1CCOCC[C@@H]1c1ccccc1C#N ZINC000616658813 400195811 /nfs/dbraw/zinc/19/58/11/400195811.db2.gz LEHLJNDJGKMANU-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN CC(C)(C)OC(=O)N1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616661113 400196039 /nfs/dbraw/zinc/19/60/39/400196039.db2.gz YUGBXNGAUQHJAA-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCN1C(=O)c2ccc(-c3nc(CCC(=C)C)no3)cc2C1=O ZINC000349773017 400204599 /nfs/dbraw/zinc/20/45/99/400204599.db2.gz VXEYMSOTCZBFCC-UHFFFAOYSA-N 0 0 323.352 3.027 10 30 DGEERN C=CCSCCNC(=O)C1(c2nccc3ccccc32)CC1 ZINC000601019811 400205294 /nfs/dbraw/zinc/20/52/94/400205294.db2.gz PKAGQGUOAFONMD-UHFFFAOYSA-N 0 0 312.438 3.302 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1nc(C2CCC2)no1 ZINC000601057935 400216808 /nfs/dbraw/zinc/21/68/08/400216808.db2.gz DXCODKIPJGZTDM-LBPRGKRZSA-N 0 0 321.446 3.159 10 30 DGEERN C=C1CC(C)(C(=O)N2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601640474 400321716 /nfs/dbraw/zinc/32/17/16/400321716.db2.gz OHDODQDSMHMDPL-TZMCWYRMSA-N 0 0 307.434 3.169 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@@H]2CCc3ccccc3C2)c1 ZINC000610522136 400270622 /nfs/dbraw/zinc/27/06/22/400270622.db2.gz PTGHIHHIUVZTBK-QGZVFWFLSA-N 0 0 304.393 3.022 10 30 DGEERN C[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccncc1 ZINC000610531031 400272688 /nfs/dbraw/zinc/27/26/88/400272688.db2.gz POFNGEXANJLTNZ-UONOGXRCSA-N 0 0 308.385 3.117 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1nnn(-c2ccccc2)c1C ZINC000617037218 400287565 /nfs/dbraw/zinc/28/75/65/400287565.db2.gz JQWUUUTYWRRUDS-WBVHZDCISA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(C)C(=O)c1cccs1 ZINC000617037657 400287757 /nfs/dbraw/zinc/28/77/57/400287757.db2.gz PJZCNRRSQJXVFY-UONOGXRCSA-N 0 0 320.458 3.071 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000617039034 400288914 /nfs/dbraw/zinc/28/89/14/400288914.db2.gz BCVUDJHQISWQGN-KBXCAEBGSA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000617039744 400288972 /nfs/dbraw/zinc/28/89/72/400288972.db2.gz LEXRKBASVXMRCD-WCQYABFASA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000617039745 400289343 /nfs/dbraw/zinc/28/93/43/400289343.db2.gz LEXRKBASVXMRCD-YPMHNXCESA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000617041573 400289786 /nfs/dbraw/zinc/28/97/86/400289786.db2.gz FZERVEYEGLBVSP-KSSFIOAISA-N 0 0 324.424 3.403 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c(CC)nn(C)c1CC ZINC000617041408 400290013 /nfs/dbraw/zinc/29/00/13/400290013.db2.gz DGPMTXWXLOTPQF-RHSMWYFYSA-N 0 0 317.477 3.339 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000617040407 400290041 /nfs/dbraw/zinc/29/00/41/400290041.db2.gz UBVKEZGSLAOQDN-ZMSDIMECSA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC000617040212 400290287 /nfs/dbraw/zinc/29/02/87/400290287.db2.gz QVCJCAWFNYZVRV-KBMXLJTQSA-N 0 0 312.413 3.364 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000617043094 400291169 /nfs/dbraw/zinc/29/11/69/400291169.db2.gz ZJBITRNCMVYLLW-CJNGLKHVSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000617044359 400291725 /nfs/dbraw/zinc/29/17/25/400291725.db2.gz MDBOQWKGTBUCEN-WMZOPIPTSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1N ZINC000617044668 400292291 /nfs/dbraw/zinc/29/22/91/400292291.db2.gz QOSILIXLAFYBRP-PBHICJAKSA-N 0 0 324.428 3.319 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1CCN(OCC)CC1 ZINC000617043932 400292406 /nfs/dbraw/zinc/29/24/06/400292406.db2.gz GUSINNWGHWCJOV-IRXDYDNUSA-N 0 0 308.466 3.291 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCC1 ZINC000068884702 400298436 /nfs/dbraw/zinc/29/84/36/400298436.db2.gz FDKSMJGJISIWLQ-UHFFFAOYSA-N 0 0 303.362 3.093 10 30 DGEERN CCN(CC#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000068916201 400299561 /nfs/dbraw/zinc/29/95/61/400299561.db2.gz MWPSUIXEEGZGMH-VIFPVBQESA-N 0 0 301.173 3.133 10 30 DGEERN C=C(C)Cn1c(CC2CC2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000576685458 400324089 /nfs/dbraw/zinc/32/40/89/400324089.db2.gz YCCWNHOJMBXWAW-HZPDHXFCSA-N 0 0 300.450 3.433 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1CC#N ZINC000601462193 400303280 /nfs/dbraw/zinc/30/32/80/400303280.db2.gz SWPGNZGWZVSDLO-GDBMZVCRSA-N 0 0 318.442 3.166 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000610790356 400306852 /nfs/dbraw/zinc/30/68/52/400306852.db2.gz DRVSXBGGCVHUFE-ZFWWWQNUSA-N 0 0 322.355 3.266 10 30 DGEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nccn2c1 ZINC000610807134 400309184 /nfs/dbraw/zinc/30/91/84/400309184.db2.gz YUMHXQQANSDWGN-UHFFFAOYSA-N 0 0 320.352 3.002 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@](C)(CC)C1 ZINC000578075944 400324961 /nfs/dbraw/zinc/32/49/61/400324961.db2.gz RQZVCNUBGHQNJA-GOSISDBHSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCSCCNC(=O)NCc1ccsc1C(F)(F)F ZINC000601568435 400310314 /nfs/dbraw/zinc/31/03/14/400310314.db2.gz QQFIMKFNMXQSLL-UHFFFAOYSA-N 0 0 324.393 3.485 10 30 DGEERN C=C1CC(C)(C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)C1 ZINC000601583185 400312325 /nfs/dbraw/zinc/31/23/25/400312325.db2.gz SCZVGMVXGBXVCX-UHFFFAOYSA-N 0 0 322.430 3.279 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)OC[C@H]2CCCO2)CCCC1 ZINC000617416638 400384010 /nfs/dbraw/zinc/38/40/10/400384010.db2.gz ZHCVXNUVMCVZOT-JKSUJKDBSA-N 0 0 309.450 3.213 10 30 DGEERN C=CCCC1(CNC(=O)c2ccc3nnc(C)n3c2)CCCC1 ZINC000617416454 400384184 /nfs/dbraw/zinc/38/41/84/400384184.db2.gz QUWAEEJQPRKIGC-UHFFFAOYSA-N 0 0 312.417 3.294 10 30 DGEERN C=CCCC1(CNC(=O)Cn2cnc3c2CCCC3)CCCC1 ZINC000617417071 400385232 /nfs/dbraw/zinc/38/52/32/400385232.db2.gz KGQVCTTYLUIZKJ-UHFFFAOYSA-N 0 0 315.461 3.405 10 30 DGEERN C=CCCC1(CNC(=O)Cc2ccc(OC)cn2)CCCC1 ZINC000617418261 400385559 /nfs/dbraw/zinc/38/55/59/400385559.db2.gz XZXVAJRBWBODCB-UHFFFAOYSA-N 0 0 302.418 3.276 10 30 DGEERN N#CCC(=O)Nc1c(Br)cccc1Br ZINC000035015531 400387998 /nfs/dbraw/zinc/38/79/98/400387998.db2.gz RGTFVFGNDTXIGV-UHFFFAOYSA-N 0 0 317.968 3.064 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N(C)[C@@H]1CCOC1 ZINC000578471723 400329524 /nfs/dbraw/zinc/32/95/24/400329524.db2.gz JTFADCAFMKJOGV-MRXNPFEDSA-N 0 0 318.465 3.202 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000610968379 400330011 /nfs/dbraw/zinc/33/00/11/400330011.db2.gz FUMOCPDSCJDMJF-IAGOWNOFSA-N 0 0 322.456 3.346 10 30 DGEERN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCCCC[C@H]1C ZINC000579176296 400335956 /nfs/dbraw/zinc/33/59/56/400335956.db2.gz MDERTCUDPWIDFR-CQSZACIVSA-N 0 0 314.437 3.024 10 30 DGEERN N#Cc1cc(CN2CCc3ccc(Br)cc32)ccn1 ZINC000610995050 400336288 /nfs/dbraw/zinc/33/62/88/400336288.db2.gz WZRGFVPOHUFLTK-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(CCO)cc1OC ZINC000579482652 400339321 /nfs/dbraw/zinc/33/93/21/400339321.db2.gz BHULUAIAJKCGJT-UHFFFAOYSA-N 0 0 313.397 3.407 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000579610810 400340813 /nfs/dbraw/zinc/34/08/13/400340813.db2.gz KSQCDLZLEIEQRJ-UHFFFAOYSA-N 0 0 311.385 3.036 10 30 DGEERN Cc1cc(N(C)C)cc(C)c1NC(=O)Cc1cccc(C#N)c1 ZINC000611059454 400341338 /nfs/dbraw/zinc/34/13/38/400341338.db2.gz WFRMTLOEFREKKK-UHFFFAOYSA-N 0 0 307.397 3.422 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccccc2)ns1 ZINC000579703425 400341958 /nfs/dbraw/zinc/34/19/58/400341958.db2.gz DBZIYNHNESWXCY-ZFWWWQNUSA-N 0 0 314.410 3.131 10 30 DGEERN C=C(C)[C@@H](CO)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000611080416 400343907 /nfs/dbraw/zinc/34/39/07/400343907.db2.gz VEUVMQLJQDPWPY-LLVKDONJSA-N 0 0 302.321 3.310 10 30 DGEERN O=C1C=CO[C@H](c2cc(Br)c(Br)o2)C1 ZINC000069850402 400345920 /nfs/dbraw/zinc/34/59/20/400345920.db2.gz RBDDWSHVTNCAKG-ZETCQYMHSA-N 0 0 321.952 3.349 10 30 DGEERN C=CCCCCNc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000580815653 400347407 /nfs/dbraw/zinc/34/74/07/400347407.db2.gz FOKJNRXNGLUNHM-UHFFFAOYSA-N 0 0 302.418 3.236 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)OC ZINC000601781693 400348642 /nfs/dbraw/zinc/34/86/42/400348642.db2.gz JXMQJEQRGYEYLV-ZDUSSCGKSA-N 0 0 313.756 3.025 10 30 DGEERN N#Cc1ccc(CCC(=O)NCCCc2cccc(F)c2)cc1 ZINC000109230773 400351848 /nfs/dbraw/zinc/35/18/48/400351848.db2.gz WHFDXDFALPZZJD-UHFFFAOYSA-N 0 0 310.372 3.379 10 30 DGEERN Cc1cc(NC(C)(C)[C@@H](C)O)n2c3ccccc3nc2c1C#N ZINC000611193703 400358232 /nfs/dbraw/zinc/35/82/32/400358232.db2.gz HDDIJRMOSCYJER-GFCCVEGCSA-N 0 0 308.385 3.239 10 30 DGEERN CC(C)C[C@H](C#N)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000611251209 400365433 /nfs/dbraw/zinc/36/54/33/400365433.db2.gz RPHDYDGSPOTUJG-NVXWUHKLSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC2(C#N)CC2)cc1 ZINC000590176860 400367610 /nfs/dbraw/zinc/36/76/10/400367610.db2.gz RNHSLPFUYXSMGL-UHFFFAOYSA-N 0 0 323.396 3.133 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)COC3)c(F)c1 ZINC000611262664 400367711 /nfs/dbraw/zinc/36/77/11/400367711.db2.gz ZDCZLFITCZQNEH-UHFFFAOYSA-N 0 0 311.316 3.049 10 30 DGEERN C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601875619 400369039 /nfs/dbraw/zinc/36/90/39/400369039.db2.gz XBPPXSGBIQHQRM-HOCLYGCPSA-N 0 0 322.416 3.045 10 30 DGEERN C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC12CCC2 ZINC000611300841 400376690 /nfs/dbraw/zinc/37/66/90/400376690.db2.gz AYVSYNATVJELNV-CYBMUJFWSA-N 0 0 315.392 3.419 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000041807731 400413906 /nfs/dbraw/zinc/41/39/06/400413906.db2.gz FQUGYAXHEGLPJB-BBRMVZONSA-N 0 0 300.402 3.319 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1CCSC ZINC000602042212 400407860 /nfs/dbraw/zinc/40/78/60/400407860.db2.gz MOXMLIHIRKMCNY-AWEZNQCLSA-N 0 0 320.458 3.002 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C1(c2cc(C)no2)CC1 ZINC000602087042 400411243 /nfs/dbraw/zinc/41/12/43/400411243.db2.gz WKZVHILCJFKLJV-UHFFFAOYSA-N 0 0 321.380 3.101 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCC2(CCCC2)CC1 ZINC000617566785 400411693 /nfs/dbraw/zinc/41/16/93/400411693.db2.gz SEUJLNGIOFPBKK-INIZCTEOSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCCn1cc(C(=O)N2CCCC3(CCCC3)CC2)nn1 ZINC000617566651 400412094 /nfs/dbraw/zinc/41/20/94/400412094.db2.gz NNTZYZBFMFFKJG-UHFFFAOYSA-N 0 0 302.422 3.041 10 30 DGEERN Cc1ccc(Cl)c(OCC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000611561278 400422505 /nfs/dbraw/zinc/42/25/05/400422505.db2.gz HIHPNDFDPAJIEP-UHFFFAOYSA-N 0 0 306.793 3.180 10 30 DGEERN CC#CCCCC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602191879 400423179 /nfs/dbraw/zinc/42/31/79/400423179.db2.gz PBRFLUXULIYIAS-UHFFFAOYSA-N 0 0 309.413 3.155 10 30 DGEERN C=CCCOCC(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000590691579 400417107 /nfs/dbraw/zinc/41/71/07/400417107.db2.gz JPBJMFXEFQTCJH-CQSZACIVSA-N 0 0 301.308 3.341 10 30 DGEERN C=CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)[C@H](C)COC ZINC000617580977 400418553 /nfs/dbraw/zinc/41/85/53/400418553.db2.gz IWTRGZDDGCVFDH-CRAIPNDOSA-N 0 0 317.429 3.244 10 30 DGEERN C=CCOCCNC(=O)[C@@H](SCc1ccccc1)C(C)C ZINC000611544982 400418732 /nfs/dbraw/zinc/41/87/32/400418732.db2.gz IFGMIVDRCGDORE-INIZCTEOSA-N 0 0 307.459 3.263 10 30 DGEERN C=CCN(C(=O)c1coc(C2CCCCC2)n1)[C@@H](C)COC ZINC000617582186 400418988 /nfs/dbraw/zinc/41/89/88/400418988.db2.gz ILKOSNDXPRPFCL-ZDUSSCGKSA-N 0 0 306.406 3.385 10 30 DGEERN C[C@@H](CC(=O)NCc1ccc(C#N)cc1F)C(=O)c1ccccc1 ZINC000602156595 400419503 /nfs/dbraw/zinc/41/95/03/400419503.db2.gz JTQHHYYTXNGKMM-ZDUSSCGKSA-N 0 0 324.355 3.223 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N(CCCSC)c1cccnc1 ZINC000602367631 400446355 /nfs/dbraw/zinc/44/63/55/400446355.db2.gz DHSXNRTZDLKDSJ-AWEZNQCLSA-N 0 0 308.447 3.149 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@](C)(COCc1ccccc1)OC ZINC000617680526 400443117 /nfs/dbraw/zinc/44/31/17/400443117.db2.gz JRPSFZUAZHUSBP-VQIMIIECSA-N 0 0 319.445 3.327 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)c1scnc1C1CC1)CCCC2 ZINC000122049995 400459759 /nfs/dbraw/zinc/45/97/59/400459759.db2.gz VKLGDHOBEAKBRC-UHFFFAOYSA-N 0 0 324.409 3.418 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000617778311 400451826 /nfs/dbraw/zinc/45/18/26/400451826.db2.gz CUHSDDQUPNYTEF-CYBMUJFWSA-N 0 0 312.413 3.345 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)C2(C(F)(F)F)CCOCC2)C1 ZINC000617778512 400452077 /nfs/dbraw/zinc/45/20/77/400452077.db2.gz IBAQRVMHVOKXGL-LBPRGKRZSA-N 0 0 305.340 3.160 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617920808 400476982 /nfs/dbraw/zinc/47/69/82/400476982.db2.gz IPNXIGUEOARYMB-YCPHGPKFSA-N 0 0 301.386 3.314 10 30 DGEERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C#N)cc2C)C12CCCC2 ZINC000126341728 400491564 /nfs/dbraw/zinc/49/15/64/400491564.db2.gz BRPPQXDPLBXELL-IRXDYDNUSA-N 0 0 312.413 3.334 10 30 DGEERN C=CCOCC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000591155040 400495143 /nfs/dbraw/zinc/49/51/43/400495143.db2.gz 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C=C(C)C[C@@H](NCc1ccsc1C(F)(F)F)C(=O)OC ZINC000602738321 400560136 /nfs/dbraw/zinc/56/01/36/400560136.db2.gz HOAHVDMXFQAWTR-SNVBAGLBSA-N 0 0 307.337 3.364 10 30 DGEERN Cc1cc(C)n(Cc2cccc(C(=O)NC3(C#N)CCCC3)c2)n1 ZINC000132624217 400561454 /nfs/dbraw/zinc/56/14/54/400561454.db2.gz LKQMZQUIYAHRHY-UHFFFAOYSA-N 0 0 322.412 3.114 10 30 DGEERN C=CCCCN(C)c1nnc([C@]2(C)CCCO2)n1CC1CC1 ZINC000612940221 400629510 /nfs/dbraw/zinc/62/95/10/400629510.db2.gz GNIHQIMUZNKXNZ-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OC)cc1Br ZINC000135076471 400583916 /nfs/dbraw/zinc/58/39/16/400583916.db2.gz UYJULRKQVATUDG-UHFFFAOYSA-N 0 0 312.207 3.496 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000135082448 400584055 /nfs/dbraw/zinc/58/40/55/400584055.db2.gz NWPSMYCUYXWUDS-UHFFFAOYSA-N 0 0 323.396 3.372 10 30 DGEERN C=C(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000602818905 400584550 /nfs/dbraw/zinc/58/45/50/400584550.db2.gz NTIUXLFTFCNXMR-AWEZNQCLSA-N 0 0 322.315 3.014 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301.173 3.179 10 30 DGEERN CC[C@H](c1ccc(F)cc1)N1CCN(c2ncccc2C#N)CC1 ZINC000154140061 400692054 /nfs/dbraw/zinc/69/20/54/400692054.db2.gz ZGBORQNPUYQKBG-GOSISDBHSA-N 0 0 324.403 3.366 10 30 DGEERN CC#CCCCC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592877697 400712341 /nfs/dbraw/zinc/71/23/41/400712341.db2.gz NFIHZBVMLIXWIQ-UHFFFAOYSA-N 0 0 307.434 3.150 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000613583509 400756904 /nfs/dbraw/zinc/75/69/04/400756904.db2.gz RYZMCRBTFPYISB-ZACQAIPSSA-N 0 0 308.466 3.178 10 30 DGEERN N#Cc1c(Br)cccc1NC[C@H]1CCCC[C@H]1O ZINC000168555592 400758067 /nfs/dbraw/zinc/75/80/67/400758067.db2.gz GBECFWATZOKTOC-QMTHXVAHSA-N 0 0 309.207 3.284 10 30 DGEERN C=CCN(C(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593115895 400766472 /nfs/dbraw/zinc/76/64/72/400766472.db2.gz NDIFPTFKSASMJW-UHFFFAOYSA-N 0 0 319.202 3.040 10 30 DGEERN C=C(C)CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613665850 400772163 /nfs/dbraw/zinc/77/21/63/400772163.db2.gz 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000614373760 400889184 /nfs/dbraw/zinc/88/91/84/400889184.db2.gz VKUMPXVLJIPAKC-AAVRWANBSA-N 0 0 319.367 3.453 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000182232693 400892454 /nfs/dbraw/zinc/89/24/54/400892454.db2.gz LRKBWTBGRUMKCK-AUUYWEPGSA-N 0 0 307.397 3.444 10 30 DGEERN C=CCCC[C@H](C)NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000182647631 400895567 /nfs/dbraw/zinc/89/55/67/400895567.db2.gz MTVFJKAZOQVBSB-AWEZNQCLSA-N 0 0 303.402 3.251 10 30 DGEERN C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000182699322 400895934 /nfs/dbraw/zinc/89/59/34/400895934.db2.gz XAHRQXRHGIAEJW-KGLIPLIRSA-N 0 0 308.385 3.268 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000182912782 400898888 /nfs/dbraw/zinc/89/88/88/400898888.db2.gz HBOXIPNZSRTWOD-MRXNPFEDSA-N 0 0 308.381 3.316 10 30 DGEERN C=CCN(CCC#N)C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000593719659 400899238 /nfs/dbraw/zinc/89/92/38/400899238.db2.gz 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/nfs/dbraw/zinc/62/36/86/401623686.db2.gz WZEBOKRVNRRXRY-KXBFYZLASA-N 0 0 301.430 3.089 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@]2(C)OCCc3sccc32)C1 ZINC000624086818 401624209 /nfs/dbraw/zinc/62/42/09/401624209.db2.gz XJMXABIVAHHZRH-GUYCJALGSA-N 0 0 320.458 3.144 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CSc3ccccc32)C1 ZINC000624136208 401631249 /nfs/dbraw/zinc/63/12/49/401631249.db2.gz AIEAZSIZXDSUGQ-UONOGXRCSA-N 0 0 302.443 3.484 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000632848061 401631342 /nfs/dbraw/zinc/63/13/42/401631342.db2.gz DYHCMGCLNXYFCF-LLVKDONJSA-N 0 0 317.355 3.416 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000624162669 401633777 /nfs/dbraw/zinc/63/37/77/401633777.db2.gz HTMJOXIYIZUMIJ-HZPDHXFCSA-N 0 0 317.433 3.203 10 30 DGEERN C=C1CC(C)(C(=O)NCc2ccsc2Br)C1 ZINC000632892056 401635558 /nfs/dbraw/zinc/63/55/58/401635558.db2.gz JTQLQVPPAIYQBF-UHFFFAOYSA-N 0 0 300.221 3.483 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628775158 401638344 /nfs/dbraw/zinc/63/83/44/401638344.db2.gz ZOCMUSQUGIFWSL-DOMZBBRYSA-N 0 0 301.365 3.357 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000628820183 401640649 /nfs/dbraw/zinc/64/06/49/401640649.db2.gz WKKIJQGZJZZYTG-UGSOOPFHSA-N 0 0 321.417 3.110 10 30 DGEERN C=CCCCCCNC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000624306932 401648786 /nfs/dbraw/zinc/64/87/86/401648786.db2.gz UJQWQHLEQPZVEQ-LBPRGKRZSA-N 0 0 318.343 3.032 10 30 DGEERN C=C1CC(C)(C(=O)N(C)Cc2nc(-c3cccs3)no2)C1 ZINC000633001897 401645036 /nfs/dbraw/zinc/64/50/36/401645036.db2.gz FBUHAVHAZAUIKB-UHFFFAOYSA-N 0 0 303.387 3.113 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@@H](OCC)c2ccccc2)C1 ZINC000623951145 401603832 /nfs/dbraw/zinc/60/38/32/401603832.db2.gz ATPCEBFCYZSVKL-DOTOQJQBSA-N 0 0 302.418 3.372 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Oc3cc(C)ccn3)CC2)C1 ZINC000632382874 401604455 /nfs/dbraw/zinc/60/44/55/401604455.db2.gz LHITYRPFTGYDKO-UHFFFAOYSA-N 0 0 300.402 3.116 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000623955760 401605009 /nfs/dbraw/zinc/60/50/09/401605009.db2.gz JIAKOZKVMMMFQW-NSHDSACASA-N 0 0 308.426 3.330 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCc2cccc(OC)c2OC)C1 ZINC000628483543 401605755 /nfs/dbraw/zinc/60/57/55/401605755.db2.gz QNAYXEROZGALDM-AWEZNQCLSA-N 0 0 303.402 3.061 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 ZINC000628483950 401606403 /nfs/dbraw/zinc/60/64/03/401606403.db2.gz APZFRXFACGCRNJ-LBPRGKRZSA-N 0 0 301.415 3.485 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(Br)cn2CC)C1 ZINC000628486076 401606600 /nfs/dbraw/zinc/60/66/00/401606600.db2.gz ACFKMTVFLPFISQ-LLVKDONJSA-N 0 0 311.223 3.309 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(Br)cn2CC)C1 ZINC000628486077 401606898 /nfs/dbraw/zinc/60/68/98/401606898.db2.gz ACFKMTVFLPFISQ-NSHDSACASA-N 0 0 311.223 3.309 10 30 DGEERN C=C1CC(C)(C(=O)N(C)CCc2nc(-c3ccccc3)no2)C1 ZINC000633028472 401646463 /nfs/dbraw/zinc/64/64/63/401646463.db2.gz KEWGMOOPAUWUMF-UHFFFAOYSA-N 0 0 311.385 3.094 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000628487932 401606918 /nfs/dbraw/zinc/60/69/18/401606918.db2.gz OLPZWNIPJWEWGD-LLVKDONJSA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000628489877 401607166 /nfs/dbraw/zinc/60/71/66/401607166.db2.gz JQSUHZZQBVIVET-HUUCEWRRSA-N 0 0 317.429 3.307 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000628488868 401607366 /nfs/dbraw/zinc/60/73/66/401607366.db2.gz KFDHUECTURQOAE-ZDUSSCGKSA-N 0 0 303.406 3.084 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC000628488352 401607383 /nfs/dbraw/zinc/60/73/83/401607383.db2.gz XVLIVKKMVDOREE-LBPRGKRZSA-N 0 0 302.399 3.370 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cn(-c3cccc(F)c3)nc2C)C1 ZINC000628493515 401608244 /nfs/dbraw/zinc/60/82/44/401608244.db2.gz RHINFTDVGQHKFL-CQSZACIVSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(Br)c(OC)c2)C1 ZINC000628494412 401608342 /nfs/dbraw/zinc/60/83/42/401608342.db2.gz ODHWCGNNGOPBLT-NSHDSACASA-N 0 0 324.218 3.496 10 30 DGEERN C=C1CC(C)(C(=O)N2CCN(c3cncc4ccccc43)CC2)C1 ZINC000632708732 401620901 /nfs/dbraw/zinc/62/09/01/401620901.db2.gz GSHYZDKBINIJIL-UHFFFAOYSA-N 0 0 321.424 3.240 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2cn(C)c3ccccc23)C1 ZINC000624371482 401656429 /nfs/dbraw/zinc/65/64/29/401656429.db2.gz PAIGJWRUHRPXHP-HNNXBMFYSA-N 0 0 311.429 3.328 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1c(F)cncc1Br ZINC000633196981 401659684 /nfs/dbraw/zinc/65/96/84/401659684.db2.gz LERHSNHIUKRAHH-UHFFFAOYSA-N 0 0 315.186 3.315 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@H](OC)c1cccc(OC)c1 ZINC000624433814 401659733 /nfs/dbraw/zinc/65/97/33/401659733.db2.gz CLYWOJPOYMKJCM-INIZCTEOSA-N 0 0 320.433 3.284 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000624463096 401662598 /nfs/dbraw/zinc/66/25/98/401662598.db2.gz SBIHJBNXYGYWRW-LLVKDONJSA-N 0 0 322.371 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000624464690 401662614 /nfs/dbraw/zinc/66/26/14/401662614.db2.gz LAEJPXKQFIAMPG-CQSZACIVSA-N 0 0 304.438 3.475 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000624463997 401662653 /nfs/dbraw/zinc/66/26/53/401662653.db2.gz HZXVGIXAUWIIPE-INIZCTEOSA-N 0 0 301.434 3.258 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000624464932 401662891 /nfs/dbraw/zinc/66/28/91/401662891.db2.gz WHPOEGDXWSJTBO-INIZCTEOSA-N 0 0 302.418 3.372 10 30 DGEERN C=C(C)CCNC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC000633306582 401671169 /nfs/dbraw/zinc/67/11/69/401671169.db2.gz LJCTWGOSLNLGFX-UHFFFAOYSA-N 0 0 300.324 3.460 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCn2nccc21 ZINC000633311642 401671886 /nfs/dbraw/zinc/67/18/86/401671886.db2.gz NLIIEFJBYJIQNS-IRXDYDNUSA-N 0 0 324.428 3.205 10 30 DGEERN C=CCCc1ccccc1NS(=O)(=O)C[C@H](OCC)C1CC1 ZINC000629298475 401678050 /nfs/dbraw/zinc/67/80/50/401678050.db2.gz BWWYTTHHJQURHJ-KRWDZBQOSA-N 0 0 323.458 3.362 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000629474514 401687071 /nfs/dbraw/zinc/68/70/71/401687071.db2.gz MWHCACCJMAHUOE-XPKDYRNWSA-N 0 0 314.385 3.276 10 30 DGEERN CC(C)(C)[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1O ZINC000408194873 165948603 /nfs/dbraw/zinc/94/86/03/165948603.db2.gz JUJBTWSSIUPIDW-RDJZCZTQSA-N 0 0 309.413 3.340 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185388617 165002846 /nfs/dbraw/zinc/00/28/46/165002846.db2.gz FLQOQMASXMMGCC-IJDCCNJMSA-N 0 0 320.348 3.026 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2ccc(F)c(F)c2)cn1 ZINC000185839359 165019282 /nfs/dbraw/zinc/01/92/82/165019282.db2.gz ZWFQVHCKIIBEIR-UHFFFAOYSA-N 0 0 311.295 3.029 10 30 DGEERN Cc1ccc(C#N)c(NCc2ncc(-c3ccccc3)cn2)n1 ZINC000186003633 165024557 /nfs/dbraw/zinc/02/45/57/165024557.db2.gz CTPKUBROWKUSPG-UHFFFAOYSA-N 0 0 301.353 3.331 10 30 DGEERN CCC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccn1 ZINC000186020655 165025323 /nfs/dbraw/zinc/02/53/23/165025323.db2.gz FSJVODIOCQHHNW-KRWDZBQOSA-N 0 0 318.384 3.487 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186012577 165025522 /nfs/dbraw/zinc/02/55/22/165025522.db2.gz URDSJZACSHRQPQ-ACJLOTCBSA-N 0 0 315.380 3.484 10 30 DGEERN C[C@@H](CCc1cccn1C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187427066 165091592 /nfs/dbraw/zinc/09/15/92/165091592.db2.gz MUISRNJHRVTDRD-HNNXBMFYSA-N 0 0 321.424 3.066 10 30 DGEERN N#Cc1ccc2ncc(CN3Cc4ccccc4C4(CC4)C3)n2c1 ZINC000187678422 165101395 /nfs/dbraw/zinc/10/13/95/165101395.db2.gz NRIFSBVKTXNTLB-UHFFFAOYSA-N 0 0 314.392 3.253 10 30 DGEERN N#Cc1c(F)cccc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000189079644 165148195 /nfs/dbraw/zinc/14/81/95/165148195.db2.gz HGBACWGCYREJRK-UHFFFAOYSA-N 0 0 313.336 3.046 10 30 DGEERN Cn1cnc(-c2ccc(OCc3ccc(C#N)c(F)c3)cc2)n1 ZINC000190171041 165191383 /nfs/dbraw/zinc/19/13/83/165191383.db2.gz WTILTAYRIDLDIJ-UHFFFAOYSA-N 0 0 308.316 3.072 10 30 DGEERN N#Cc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1F ZINC000190336656 165198661 /nfs/dbraw/zinc/19/86/61/165198661.db2.gz LHRSSZLLLPZVIT-UHFFFAOYSA-N 0 0 303.724 3.062 10 30 DGEERN N#Cc1ccc(C[S@](=O)Cc2ccc(F)cc2F)cc1F ZINC000190820700 165216657 /nfs/dbraw/zinc/21/66/57/165216657.db2.gz QRJCUJQWIGXXAW-NRFANRHFSA-N 0 0 309.312 3.424 10 30 DGEERN Cc1cc(C)n2nc(SCc3ccc(C#N)c(F)c3)nc2n1 ZINC000190995393 165223597 /nfs/dbraw/zinc/22/35/97/165223597.db2.gz CHZOEMZAPMHSLF-UHFFFAOYSA-N 0 0 313.361 3.044 10 30 DGEERN COc1cccc(OC)c1[S@@](=O)Cc1ccc(C#N)c(F)c1 ZINC000191202087 165234794 /nfs/dbraw/zinc/23/47/94/165234794.db2.gz DHDVHQFUGSYZQG-QFIPXVFZSA-N 0 0 319.357 3.022 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3cccs3)C2)cc1F ZINC000192073100 165281317 /nfs/dbraw/zinc/28/13/17/165281317.db2.gz WCJUGHUBOVPJLI-HNNXBMFYSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1cc(F)c(CNc2ncccc2OC(F)F)c(F)c1 ZINC000192756653 165306511 /nfs/dbraw/zinc/30/65/11/165306511.db2.gz YDNXVWKEEWXWOT-UHFFFAOYSA-N 0 0 311.238 3.445 10 30 DGEERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000193307199 165322874 /nfs/dbraw/zinc/32/28/74/165322874.db2.gz REBVNLURIUIFMV-GFCCVEGCSA-N 0 0 313.788 3.310 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)ccn1 ZINC000193396651 165323812 /nfs/dbraw/zinc/32/38/12/165323812.db2.gz LQGHWBAYJJJJRP-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)ccn1 ZINC000193384226 165324501 /nfs/dbraw/zinc/32/45/01/165324501.db2.gz WRDXSLBMLPBNDF-UHFFFAOYSA-N 0 0 305.259 3.310 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Br)c(F)c2)ccn1 ZINC000193361222 165324805 /nfs/dbraw/zinc/32/48/05/165324805.db2.gz DUTILZGKKOKPML-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc3cc(Cl)ccc3s2)ccn1 ZINC000193474876 165326982 /nfs/dbraw/zinc/32/69/82/165326982.db2.gz XIDQZLWPXVQBNL-UHFFFAOYSA-N 0 0 314.757 3.469 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193518665 165327073 /nfs/dbraw/zinc/32/70/73/165327073.db2.gz JOGVZZMLNRYRLT-CQSZACIVSA-N 0 0 323.396 3.479 10 30 DGEERN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccnc(C#N)c1 ZINC000193711814 165329502 /nfs/dbraw/zinc/32/95/02/165329502.db2.gz XDDNDZUKKJPRJR-UHFFFAOYSA-N 0 0 303.724 3.018 10 30 DGEERN Cc1cc(Br)cc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193951930 165335053 /nfs/dbraw/zinc/33/50/53/165335053.db2.gz ULWQMHAUMICBKC-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccnc(C#N)c1 ZINC000194215424 165341577 /nfs/dbraw/zinc/34/15/77/165341577.db2.gz BTOGSCZLINZZMJ-UHFFFAOYSA-N 0 0 319.286 3.211 10 30 DGEERN CC[C@H]1CC[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000248999277 165662424 /nfs/dbraw/zinc/66/24/24/165662424.db2.gz NLBBAYJRBZLWDM-HDJSIYSDSA-N 0 0 323.400 3.294 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000129279135 196035572 /nfs/dbraw/zinc/03/55/72/196035572.db2.gz WPQKOHRXPNGUDK-UHFFFAOYSA-N 0 0 319.324 3.082 10 30 DGEERN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000129421340 196046489 /nfs/dbraw/zinc/04/64/89/196046489.db2.gz ZBNBWJVLFAYZBD-IIAWOOMASA-N 0 0 300.402 3.411 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@@H](C)c2ccccc2OC)s1 ZINC000269333460 432163857 /nfs/dbraw/zinc/16/38/57/432163857.db2.gz YNWLWQFJWOARNL-NSHDSACASA-N 0 0 317.414 3.241 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000129550460 196056823 /nfs/dbraw/zinc/05/68/23/196056823.db2.gz INMUETLBWODASP-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN N#Cc1cccc(Cl)c1N[C@H]1CCCN(c2ncccn2)C1 ZINC000171808404 432173512 /nfs/dbraw/zinc/17/35/12/432173512.db2.gz QOOXJSJFWPUODI-ZDUSSCGKSA-N 0 0 313.792 3.083 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000130842588 196115650 /nfs/dbraw/zinc/11/56/50/196115650.db2.gz WOZPRRIDTJEKLU-MRXNPFEDSA-N 0 0 323.400 3.186 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1F ZINC000191017193 432212443 /nfs/dbraw/zinc/21/24/43/432212443.db2.gz WAVMXYSKOWOYJJ-UHFFFAOYSA-N 0 0 309.749 3.325 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172435610 432214077 /nfs/dbraw/zinc/21/40/77/432214077.db2.gz JTQJGPMGJQSNBG-NSHDSACASA-N 0 0 323.234 3.481 10 30 DGEERN COc1ccc(OC)c(NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000136904768 196556700 /nfs/dbraw/zinc/55/67/00/196556700.db2.gz ULLJIFAIUSUJBP-ZZEZOPTASA-N 0 0 308.337 3.116 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290681516 335074600 /nfs/dbraw/zinc/07/46/00/335074600.db2.gz PFMNSBOBHCTHIA-DNVCBOLYSA-N 0 0 319.420 3.182 10 30 DGEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000111330484 226923350 /nfs/dbraw/zinc/92/33/50/226923350.db2.gz OQLPYXWOLLALPN-CYBMUJFWSA-N 0 0 308.447 3.268 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000116811307 226939868 /nfs/dbraw/zinc/93/98/68/226939868.db2.gz CXGAZZAALRGWLT-MEDUHNTESA-N 0 0 301.346 3.106 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1occc1C ZINC000291872212 335084589 /nfs/dbraw/zinc/08/45/89/335084589.db2.gz JVRAFWIZODKORG-QGZVFWFLSA-N 0 0 310.397 3.364 10 30 DGEERN COCCN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1C ZINC000160579035 228247499 /nfs/dbraw/zinc/24/74/99/228247499.db2.gz HTNBGHWDKPVSMQ-UHFFFAOYSA-N 0 0 308.381 3.156 10 30 DGEERN N#CCCCC[S@](=O)Cc1csc(Br)c1 ZINC000172832185 228277693 /nfs/dbraw/zinc/27/76/93/228277693.db2.gz OJWHIWFKJWMACX-HNNXBMFYSA-N 0 0 306.250 3.453 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000173589646 228282362 /nfs/dbraw/zinc/28/23/62/228282362.db2.gz XSZHPGJRQPZLOT-NHYWBVRUSA-N 0 0 324.833 3.165 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)NC2(C#N)CCCCC2)s1 ZINC000176317089 228311600 /nfs/dbraw/zinc/31/16/00/228311600.db2.gz JFRAZQHEMILRTI-NSHDSACASA-N 0 0 307.419 3.115 10 30 DGEERN COC(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000179648042 228352211 /nfs/dbraw/zinc/35/22/11/228352211.db2.gz ALYQOUSEDJCGSI-LLVKDONJSA-N 0 0 301.173 3.099 10 30 DGEERN COc1ccc(C)nc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180510837 228356794 /nfs/dbraw/zinc/35/67/94/228356794.db2.gz BRTQHQROTLFOBU-UHFFFAOYSA-N 0 0 307.353 3.206 10 30 DGEERN CCc1noc(CC)c1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181549382 228363399 /nfs/dbraw/zinc/36/33/99/228363399.db2.gz HQSXFUYSRAYXML-UHFFFAOYSA-N 0 0 323.396 3.285 10 30 DGEERN Cc1nc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)s1 ZINC000182130051 228367080 /nfs/dbraw/zinc/36/70/80/228367080.db2.gz FKSMDGOYHYAWIM-SECBINFHSA-N 0 0 301.371 3.303 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000186930631 228418164 /nfs/dbraw/zinc/41/81/64/228418164.db2.gz UGQKKQKMJKFVIT-UHFFFAOYSA-N 0 0 307.309 3.137 10 30 DGEERN O=C(NC1CC1)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328605946 228903166 /nfs/dbraw/zinc/90/31/66/228903166.db2.gz PVTZJQKRHDCFPJ-DLBZAZTESA-N 0 0 311.385 3.128 10 30 DGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000328736730 228910915 /nfs/dbraw/zinc/91/09/15/228910915.db2.gz ZRBYYQVSUFPNCC-HBNTYKKESA-N 0 0 304.337 3.250 10 30 DGEERN Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(C)s1 ZINC000328859909 228916663 /nfs/dbraw/zinc/91/66/63/228916663.db2.gz YVMPCPHAFDUEKB-COLVAYQJSA-N 0 0 308.447 3.497 10 30 DGEERN C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)c1cc2cccc(F)c2o1 ZINC000329945632 228967435 /nfs/dbraw/zinc/96/74/35/228967435.db2.gz XJPWDTPFNBOEQT-WCFLWFBJSA-N 0 0 318.348 3.410 10 30 DGEERN O=C(NCCC1=CCCCCC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330250018 228985024 /nfs/dbraw/zinc/98/50/24/228985024.db2.gz GPXLNELFFFYOET-UHFFFAOYSA-N 0 0 315.417 3.340 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)CSCc1ccc(Cl)cc1 ZINC000359674438 229382771 /nfs/dbraw/zinc/38/27/71/229382771.db2.gz PGWGEUWWAOSZBU-TZMCWYRMSA-N 0 0 308.834 3.382 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCOC3(CCCCC3)C2)CC1 ZINC000368523947 229496522 /nfs/dbraw/zinc/49/65/22/229496522.db2.gz WUSFKEUKQJDYFX-UHFFFAOYSA-N 0 0 319.449 3.061 10 30 DGEERN N#Cc1ccc(N[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301189948 229553911 /nfs/dbraw/zinc/55/39/11/229553911.db2.gz LVMIXXYSKUQPTP-AWEZNQCLSA-N 0 0 308.341 3.157 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(Nc2ccc(Cn3ccnc3)cc2)c1 ZINC000302202254 230157471 /nfs/dbraw/zinc/15/74/71/230157471.db2.gz IEXPMZLNIIWIEP-UHFFFAOYSA-N 0 0 319.324 3.455 10 30 DGEERN Cc1ccc(NCC(C)(C)c2ccc3c(c2)OCO3)nc1C#N ZINC000302687576 230353671 /nfs/dbraw/zinc/35/36/71/230353671.db2.gz YQVLRIPFXJZKBH-UHFFFAOYSA-N 0 0 309.369 3.380 10 30 DGEERN Cc1cc(CCNC(=O)CCc2ccc(C#N)cc2)cc(C)c1O ZINC000188681449 263700422 /nfs/dbraw/zinc/70/04/22/263700422.db2.gz HXYHLCWZDSWZAD-UHFFFAOYSA-N 0 0 322.408 3.172 10 30 DGEERN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(C#N)cn1C ZINC000189212199 263711971 /nfs/dbraw/zinc/71/19/71/263711971.db2.gz HFRLKWIVVYOUEK-UHFFFAOYSA-N 0 0 321.302 3.154 10 30 DGEERN COc1ccc(C[C@H](C)CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000533998965 270005067 /nfs/dbraw/zinc/00/50/67/270005067.db2.gz VJNZLSZNJVGULA-HNNXBMFYSA-N 0 0 322.408 3.104 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)cs1 ZINC000533560053 270005125 /nfs/dbraw/zinc/00/51/25/270005125.db2.gz CJJFTPJGALLBNJ-UHFFFAOYSA-N 0 0 322.393 3.248 10 30 DGEERN C=C1CC(C)(C(=O)NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000631713860 424837603 /nfs/dbraw/zinc/83/76/03/424837603.db2.gz YEJQPSIMNCYPNL-UHFFFAOYSA-N 0 0 322.412 3.028 10 30 DGEERN COc1cccc2c1CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC000375719501 266893250 /nfs/dbraw/zinc/89/32/50/266893250.db2.gz NOKIQBCYQSKTKJ-UHFFFAOYSA-N 0 0 313.788 3.220 10 30 DGEERN CN(C(=O)c1cnc(-c2ccncc2)s1)c1cccc(C#N)c1 ZINC000172803618 432236482 /nfs/dbraw/zinc/23/64/82/432236482.db2.gz KVCCINQMNGNMIH-UHFFFAOYSA-N 0 0 320.377 3.353 10 30 DGEERN COc1ccc(CCNC(=O)c2sccc2C#N)c(Cl)c1 ZINC000151294911 432236029 /nfs/dbraw/zinc/23/60/29/432236029.db2.gz MQGNOSVFJSSHCR-UHFFFAOYSA-N 0 0 320.801 3.254 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H](c2ccccc2)O1 ZINC000362914720 267042838 /nfs/dbraw/zinc/04/28/38/267042838.db2.gz YWNLKNCGYGSTHI-IUODEOHRSA-N 0 0 312.394 3.222 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000376105195 267317453 /nfs/dbraw/zinc/31/74/53/267317453.db2.gz WRXFNKHVWAHZQR-QGZVFWFLSA-N 0 0 301.353 3.253 10 30 DGEERN COc1ccccc1CN(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000531146466 267658313 /nfs/dbraw/zinc/65/83/13/267658313.db2.gz SFTFPNVTUWNWTK-UHFFFAOYSA-N 0 0 320.392 3.301 10 30 DGEERN Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2cccc(C#N)c2)s1 ZINC000531389992 268074755 /nfs/dbraw/zinc/07/47/55/268074755.db2.gz GODPPFBVTZZSSV-LBPRGKRZSA-N 0 0 313.426 3.394 10 30 DGEERN N#Cc1cccc(CC(=O)NCCCSc2ccccc2)c1 ZINC000531149412 268274502 /nfs/dbraw/zinc/27/45/02/268274502.db2.gz YWSWJGLDHGEVHS-UHFFFAOYSA-N 0 0 310.422 3.399 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000531455716 268276628 /nfs/dbraw/zinc/27/66/28/268276628.db2.gz UPWSFFXQBLGRBF-OAHLLOKOSA-N 0 0 310.319 3.338 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000530670465 268277144 /nfs/dbraw/zinc/27/71/44/268277144.db2.gz AQXJSKOHURZWRT-MRXNPFEDSA-N 0 0 308.406 3.454 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000531387854 268277682 /nfs/dbraw/zinc/27/76/82/268277682.db2.gz SXMKLXYTMFMKRL-UHFFFAOYSA-N 0 0 320.396 3.125 10 30 DGEERN CN1CCCN(C(=O)c2sccc2C#N)c2ccc(F)cc21 ZINC000369559871 271291638 /nfs/dbraw/zinc/29/16/38/271291638.db2.gz DFPIENWKLHPGQY-UHFFFAOYSA-N 0 0 315.373 3.246 10 30 DGEERN C=C(C)COCCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000151511369 432251488 /nfs/dbraw/zinc/25/14/88/432251488.db2.gz YNFXURMTYYAAQG-UHFFFAOYSA-N 0 0 306.406 3.327 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1snnc1C(C)(C)C ZINC000331226434 275419018 /nfs/dbraw/zinc/41/90/18/275419018.db2.gz FJOWBCHQHKUOCB-MNOVXSKESA-N 0 0 309.435 3.121 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ccn(C2CCSCC2)n1 ZINC000633862342 429996445 /nfs/dbraw/zinc/99/64/45/429996445.db2.gz VKHSIEQMAFZEPX-MRXNPFEDSA-N 0 0 323.462 3.119 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000370071556 276908944 /nfs/dbraw/zinc/90/89/44/276908944.db2.gz HRFBEKCIHZGQHZ-KBXCAEBGSA-N 0 0 300.402 3.182 10 30 DGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C[C@@H]1CCCC[C@H]1O ZINC000329188917 277245066 /nfs/dbraw/zinc/24/50/66/277245066.db2.gz BUGOXCRGIXHLOF-VPWBDBDCSA-N 0 0 310.438 3.418 10 30 DGEERN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCc2cncnc2C1 ZINC000329281152 277361996 /nfs/dbraw/zinc/36/19/96/277361996.db2.gz MKVQWYKLJDFNAU-HOCLYGCPSA-N 0 0 316.449 3.354 10 30 DGEERN COc1ccc(CN2CCN(C3CC3)[C@H](C#N)C2)c2ccccc12 ZINC000371328583 277411414 /nfs/dbraw/zinc/41/14/14/277411414.db2.gz WYWNTZFXJZARFL-QGZVFWFLSA-N 0 0 321.424 3.021 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC000368766913 277781327 /nfs/dbraw/zinc/78/13/27/277781327.db2.gz VKDODDFUMBCLHT-KGLIPLIRSA-N 0 0 300.402 3.234 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000412664451 277782713 /nfs/dbraw/zinc/78/27/13/277782713.db2.gz XOXVCQAMPAEMSP-LIRRHRJNSA-N 0 0 313.397 3.225 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000362747419 277793841 /nfs/dbraw/zinc/79/38/41/277793841.db2.gz YSKBVEMKQFJQGW-INWMFGNUSA-N 0 0 318.373 3.062 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000469538068 277807644 /nfs/dbraw/zinc/80/76/44/277807644.db2.gz QGSAUPQJMXKRCH-KLHDSHLOSA-N 0 0 309.450 3.068 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)[C@H](C)COC ZINC000360104440 277854884 /nfs/dbraw/zinc/85/48/84/277854884.db2.gz LEGBQCTWKSLSHQ-ZIAGYGMSSA-N 0 0 320.389 3.028 10 30 DGEERN C=CCn1c(N(C)C2CC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000414527835 277893237 /nfs/dbraw/zinc/89/32/37/277893237.db2.gz NHDUZOHZAMUWIO-KRWDZBQOSA-N 0 0 304.438 3.115 10 30 DGEERN COc1cccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1F ZINC000183977846 278008150 /nfs/dbraw/zinc/00/81/50/278008150.db2.gz KIMNDMGSVKDXEZ-LJQANCHMSA-N 0 0 324.355 3.015 10 30 DGEERN C[C@@H]1Oc2ccc(NC(=O)[C@@]3(C)CCCNC3=O)cc2NC1=O ZINC000330219082 278067403 /nfs/dbraw/zinc/06/74/03/278067403.db2.gz JWWYBPNOVDKVRR-FVMDXXJSSA-N 0 0 317.345 3.400 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000408080597 278875000 /nfs/dbraw/zinc/87/50/00/278875000.db2.gz SAUWKXYTWQUMEN-CCWDJLKJSA-N 0 0 324.424 3.378 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCc3cncnc3C1)CCC2 ZINC000329712859 278882173 /nfs/dbraw/zinc/88/21/73/278882173.db2.gz QQFLPRMQOVZSBY-KRWDZBQOSA-N 0 0 322.412 3.135 10 30 DGEERN Cc1nc(CCC(=O)N[C@H](C#N)C2CC2)oc1-c1ccccc1 ZINC000108841352 431156575 /nfs/dbraw/zinc/15/65/75/431156575.db2.gz HUIPTVMSMONVRN-OAHLLOKOSA-N 0 0 309.369 3.001 10 30 DGEERN CCC1CCC(NS(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000070432112 431249744 /nfs/dbraw/zinc/24/97/44/431249744.db2.gz UANGGULOESCTFR-UHFFFAOYSA-N 0 0 306.431 3.114 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(C)COC1 ZINC000112738201 431302584 /nfs/dbraw/zinc/30/25/84/431302584.db2.gz XBGHHRLFYIJTQS-GFCCVEGCSA-N 0 0 319.430 3.096 10 30 DGEERN CC[C@@H](C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000112889561 431312232 /nfs/dbraw/zinc/31/22/32/431312232.db2.gz QWCJNHMJGMSBFJ-SCZZXKLOSA-N 0 0 301.173 3.179 10 30 DGEERN Cn1c(SCC#Cc2ccccc2)nnc1-c1ccncc1 ZINC000072262395 431332604 /nfs/dbraw/zinc/33/26/04/431332604.db2.gz YMHOMSHCTCDCKC-UHFFFAOYSA-N 0 0 306.394 3.021 10 30 DGEERN CCN(CC)c1ncc(C=[NH+][N-]c2ccccc2[N+](=O)[O-])s1 ZINC000007814105 431364379 /nfs/dbraw/zinc/36/43/79/431364379.db2.gz ITGXHTMWYMPSSS-MHWRWJLKSA-N 0 0 319.390 3.344 10 30 DGEERN Cc1cc(NC(=O)c2ccc(C#N)nc2)ccc1Br ZINC000114998584 431421562 /nfs/dbraw/zinc/42/15/62/431421562.db2.gz PJEMIKPCRBQATA-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C=CCNC(=O)c1ccc(N2CCC[C@@]3(CC=CCC3)C2)nc1 ZINC000114451475 431392003 /nfs/dbraw/zinc/39/20/03/431392003.db2.gz ZIIIDDRHNYLULY-IBGZPJMESA-N 0 0 311.429 3.324 10 30 DGEERN C[C@@H]1C[C@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115360743 431451707 /nfs/dbraw/zinc/45/17/07/431451707.db2.gz GEQXBOKXPIKJCU-FZKQIMNGSA-N 0 0 306.365 3.275 10 30 DGEERN CCO[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C ZINC000450742254 279905805 /nfs/dbraw/zinc/90/58/05/279905805.db2.gz ANXRFSYXHAZJIU-PWSUYJOCSA-N 0 0 313.323 3.223 10 30 DGEERN Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c(C)n1 ZINC000076193944 431535466 /nfs/dbraw/zinc/53/54/66/431535466.db2.gz YGSUYXOUIQGMKB-UHFFFAOYSA-N 0 0 317.295 3.424 10 30 DGEERN C=CCCCN(C)C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000078827895 431710513 /nfs/dbraw/zinc/71/05/13/431710513.db2.gz OSSREAIRYOZLAD-UHFFFAOYSA-N 0 0 311.429 3.456 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000029789865 431729608 /nfs/dbraw/zinc/72/96/08/431729608.db2.gz XEKQYFVZYDYYLO-RHSMWYFYSA-N 0 0 321.380 3.084 10 30 DGEERN C=CCCS(=O)(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000120593256 431730737 /nfs/dbraw/zinc/73/07/37/431730737.db2.gz GEBUMMKDMLIJAW-LBPRGKRZSA-N 0 0 320.241 3.476 10 30 DGEERN CCCCCCCCC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000121040018 431741866 /nfs/dbraw/zinc/74/18/66/431741866.db2.gz XCAKHWKNHPJUSM-CQSZACIVSA-N 0 0 309.410 3.029 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000081550655 431791412 /nfs/dbraw/zinc/79/14/12/431791412.db2.gz UTCRQNVRBQGQAS-UHFFFAOYSA-N 0 0 318.336 3.336 10 30 DGEERN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C#N)cn1C ZINC000081550627 431792843 /nfs/dbraw/zinc/79/28/43/431792843.db2.gz NPAFNOKHAZUNOR-INIZCTEOSA-N 0 0 313.376 3.033 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000032801412 431793411 /nfs/dbraw/zinc/79/34/11/431793411.db2.gz KKWZWGLJUBWSPM-PXAZEXFGSA-N 0 0 319.364 3.405 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000032801415 431794477 /nfs/dbraw/zinc/79/44/77/431794477.db2.gz KKWZWGLJUBWSPM-SJKOYZFVSA-N 0 0 319.364 3.405 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3cc(C#N)cs3)c21 ZINC000084187658 431818109 /nfs/dbraw/zinc/81/81/09/431818109.db2.gz YZQCVNUNTDHWLE-UHFFFAOYSA-N 0 0 309.394 3.382 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000081858589 431802711 /nfs/dbraw/zinc/80/27/11/431802711.db2.gz RYEUQXPAYGNMLA-UHFFFAOYSA-N 0 0 316.279 3.348 10 30 DGEERN N#Cc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000081832065 431802860 /nfs/dbraw/zinc/80/28/60/431802860.db2.gz WZQBVYZHZLPKTP-UHFFFAOYSA-N 0 0 319.408 3.479 10 30 DGEERN CCC1CCC(N[C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083030532 431807201 /nfs/dbraw/zinc/80/72/01/431807201.db2.gz SEXKALRCDFGWBD-QWFMPGPPSA-N 0 0 300.402 3.331 10 30 DGEERN COCOc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033376651 431811769 /nfs/dbraw/zinc/81/17/69/431811769.db2.gz FOUPFKLYHILZSF-FLIBITNWSA-N 0 0 313.309 3.474 10 30 DGEERN N/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000033519244 431814085 /nfs/dbraw/zinc/81/40/85/431814085.db2.gz ILRCNAQGGFOBCO-WBFOAEISSA-N 0 0 300.745 3.305 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 ZINC000084109481 431815403 /nfs/dbraw/zinc/81/54/03/431815403.db2.gz ALBJQKJOCNSFCZ-DOMZBBRYSA-N 0 0 312.394 3.222 10 30 DGEERN CC(/C=N/NS(=O)(=O)c1ccc(C)cc1)=C/c1ccccc1 ZINC000033858653 431817322 /nfs/dbraw/zinc/81/73/22/431817322.db2.gz CEIBMUABTFINJC-SXDCBDFHSA-N 0 0 314.410 3.363 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1OCC(F)(F)F ZINC000080978116 431777511 /nfs/dbraw/zinc/77/75/11/431777511.db2.gz IEYHRIVYVJKCSK-UHFFFAOYSA-N 0 0 323.274 3.090 10 30 DGEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1Br ZINC000080938071 431778385 /nfs/dbraw/zinc/77/83/85/431778385.db2.gz FGRXZQXLDFUXJR-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN CCc1oc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1C ZINC000121412698 431784756 /nfs/dbraw/zinc/78/47/56/431784756.db2.gz UNHMETYJBPWDMK-UHFFFAOYSA-N 0 0 300.362 3.226 10 30 DGEERN COc1cc(CN[C@H]2CCC[C@H]2C#N)c(SC)cc1OC ZINC000086506752 431845731 /nfs/dbraw/zinc/84/57/31/431845731.db2.gz PICMAKMHPFIHNI-AAEUAGOBSA-N 0 0 306.431 3.208 10 30 DGEERN CCCc1nc(C)c(C(=O)Nc2nnc3cc(C)ccn32)s1 ZINC000088253241 431856268 /nfs/dbraw/zinc/85/62/68/431856268.db2.gz DOHYUUVZDSBZCT-UHFFFAOYSA-N 0 0 315.402 3.391 10 30 DGEERN CCn1cc(C2CCN(C(=O)C3(C#N)CCCCC3)CC2)cn1 ZINC000123554168 431868372 /nfs/dbraw/zinc/86/83/72/431868372.db2.gz CMDIGVCACMOTQM-UHFFFAOYSA-N 0 0 314.433 3.083 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000122305785 431826142 /nfs/dbraw/zinc/82/61/42/431826142.db2.gz ZDACWYAIAJSWFM-ZDUSSCGKSA-N 0 0 316.401 3.347 10 30 DGEERN C=CCCOCCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000122599660 431839230 /nfs/dbraw/zinc/83/92/30/431839230.db2.gz PHNQCOLLVGKBRG-UHFFFAOYSA-N 0 0 306.406 3.327 10 30 DGEERN N#Cc1csc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000092095014 431908008 /nfs/dbraw/zinc/90/80/08/431908008.db2.gz GRTDBLSHJPISMG-LRDDRELGSA-N 0 0 320.364 3.206 10 30 DGEERN N#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000125260448 431919521 /nfs/dbraw/zinc/91/95/21/431919521.db2.gz AOXORJWAKVXOGF-ZIAGYGMSSA-N 0 0 304.340 3.363 10 30 DGEERN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C#N)cc2C)o1 ZINC000124276326 431888706 /nfs/dbraw/zinc/88/87/06/431888706.db2.gz NZGCHGFQLLPVQL-KRWDZBQOSA-N 0 0 324.380 3.236 10 30 DGEERN N#Cc1cnc(Sc2nnc(-c3ccc(Cl)s3)o2)cn1 ZINC000125436928 431925865 /nfs/dbraw/zinc/92/58/65/431925865.db2.gz DSJHLHKCIFCCOR-UHFFFAOYSA-N 0 0 321.774 3.264 10 30 DGEERN CCO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101437 431902696 /nfs/dbraw/zinc/90/26/96/431902696.db2.gz ZYSQGMGONSEGPA-AWEZNQCLSA-N 0 0 308.381 3.266 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)C[C@@H]2CCCO2)cc1 ZINC000091101535 431902817 /nfs/dbraw/zinc/90/28/17/431902817.db2.gz QSDPOZRKCRIDPO-SFHVURJKSA-N 0 0 320.392 3.411 10 30 DGEERN CCc1ccc(NCC(=O)N(CC)C[C@H](C)C#N)cc1CC ZINC000091551696 431905588 /nfs/dbraw/zinc/90/55/88/431905588.db2.gz REOUROBHPSVSPS-CQSZACIVSA-N 0 0 301.434 3.231 10 30 DGEERN N#Cc1ccc([C@@H](O)C[N@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000127525280 431973813 /nfs/dbraw/zinc/97/38/13/431973813.db2.gz RCMDWZADMOCIBH-KRWDZBQOSA-N 0 0 310.422 3.442 10 30 DGEERN C=C[C@H](CC(=O)Nc1nnc2cc(C)ccn21)c1ccccc1 ZINC000125732512 431934228 /nfs/dbraw/zinc/93/42/28/431934228.db2.gz JKSVSNGHXXFKKF-CQSZACIVSA-N 0 0 306.369 3.336 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000126110759 431943132 /nfs/dbraw/zinc/94/31/32/431943132.db2.gz KZNGHENSJHQZAU-OAHLLOKOSA-N 0 0 324.384 3.350 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1nccs1 ZINC000053755362 431965237 /nfs/dbraw/zinc/96/52/37/431965237.db2.gz WYNZTKXUTSOZLC-UHFFFAOYSA-N 0 0 302.359 3.446 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2Cc2ccc(C#N)s2)no1 ZINC000127857017 431982149 /nfs/dbraw/zinc/98/21/49/431982149.db2.gz HVCVBERSLXXZSV-ZDUSSCGKSA-N 0 0 302.403 3.463 10 30 DGEERN CCc1ccc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)s1 ZINC000056041600 431987594 /nfs/dbraw/zinc/98/75/94/431987594.db2.gz PNIBIRNTMOAGCB-UHFFFAOYSA-N 0 0 320.439 3.003 10 30 DGEERN C=CCNC(=O)[C@@H](C)SCc1coc(-c2ccc(F)cc2)n1 ZINC000056244269 431987626 /nfs/dbraw/zinc/98/76/26/431987626.db2.gz TZEPAEWZIMYRFK-LLVKDONJSA-N 0 0 320.389 3.405 10 30 DGEERN CN(C[C@@H]1CCCO1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101690988 431988020 /nfs/dbraw/zinc/98/80/20/431988020.db2.gz NNFAFSVGKDXJGK-INIZCTEOSA-N 0 0 320.392 3.476 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)nc21 ZINC000176609609 281262642 /nfs/dbraw/zinc/26/26/42/281262642.db2.gz ZSXNUPJSUTYDAE-YJYMSZOUSA-N 0 0 324.428 3.393 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000248551436 432299859 /nfs/dbraw/zinc/29/98/59/432299859.db2.gz GTXUCSZAAXOZJU-BJKJVOPESA-N 0 0 322.836 3.273 10 30 DGEERN CCNc1ccc(Cl)cc1NC(=O)c1cc(C#N)cn1C ZINC000183160938 432263938 /nfs/dbraw/zinc/26/39/38/432263938.db2.gz WLOAYVLNAGDRKH-UHFFFAOYSA-N 0 0 302.765 3.234 10 30 DGEERN CC(C)(C)CCCC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183691630 432317297 /nfs/dbraw/zinc/31/72/97/432317297.db2.gz GTCNACXDJFBXJP-UHFFFAOYSA-N 0 0 311.389 3.294 10 30 DGEERN C=CCN(CCOC)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000191957618 432318027 /nfs/dbraw/zinc/31/80/27/432318027.db2.gz RXVABMXUHOSWQV-UHFFFAOYSA-N 0 0 303.333 3.360 10 30 DGEERN CSCc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1F ZINC000174075399 432317995 /nfs/dbraw/zinc/31/79/95/432317995.db2.gz UYADONHRRBWCOR-UHFFFAOYSA-N 0 0 314.385 3.490 10 30 DGEERN O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CC#Cc2ccccc2)C1 ZINC000248833080 432322135 /nfs/dbraw/zinc/32/21/35/432322135.db2.gz IVXXRQNLWQTVFI-APWZRJJASA-N 0 0 313.347 3.124 10 30 DGEERN CCc1oc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1C ZINC000183930319 432335137 /nfs/dbraw/zinc/33/51/37/432335137.db2.gz MUPQLOGTYMSBQY-LJQANCHMSA-N 0 0 308.381 3.332 10 30 DGEERN Cc1c(NC(=O)C2(C#N)CCOCC2)sc2c1CCCC2 ZINC000174392081 432343003 /nfs/dbraw/zinc/34/30/03/432343003.db2.gz IXEAHBRBCSXDFA-UHFFFAOYSA-N 0 0 304.415 3.194 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1cccc(C#N)c1 ZINC000152725642 432350599 /nfs/dbraw/zinc/35/05/99/432350599.db2.gz MTNWKVOAVUHLHP-UHFFFAOYSA-N 0 0 300.387 3.111 10 30 DGEERN Cc1ccc(CCCC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173881023 432304437 /nfs/dbraw/zinc/30/44/37/432304437.db2.gz RCPSJVZOJQHVAF-UHFFFAOYSA-N 0 0 322.408 3.385 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248606113 432305039 /nfs/dbraw/zinc/30/50/39/432305039.db2.gz CPAYYOIYWTZHTR-ZLIFDBKOSA-N 0 0 322.399 3.429 10 30 DGEERN C#CCCCCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000271334301 432375395 /nfs/dbraw/zinc/37/53/95/432375395.db2.gz BBUQFPLYBYMWQL-AWEZNQCLSA-N 0 0 319.202 3.324 10 30 DGEERN N#Cc1cc(C(=O)N2CCC(CCc3ccccc3)CC2)ccn1 ZINC000192458414 432376680 /nfs/dbraw/zinc/37/66/80/432376680.db2.gz VZUCCGDDZLBRJC-UHFFFAOYSA-N 0 0 319.408 3.438 10 30 DGEERN CCC[C@]1(COC)CCCN1C(=O)c1ccc(C#N)cc1C ZINC000192734991 432407598 /nfs/dbraw/zinc/40/75/98/432407598.db2.gz UZFXEVQOVSMIPQ-GOSISDBHSA-N 0 0 300.402 3.288 10 30 DGEERN Cc1cc(F)ccc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000174557739 432357185 /nfs/dbraw/zinc/35/71/85/432357185.db2.gz DMOFBPLXSHGBEA-UHFFFAOYSA-N 0 0 313.332 3.206 10 30 DGEERN CO[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000251589417 432369222 /nfs/dbraw/zinc/36/92/22/432369222.db2.gz FLJZEJULJGHARL-XHDPSFHLSA-N 0 0 323.234 3.178 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)OCC(C)(C)CC#N)C1 ZINC000184820389 432436203 /nfs/dbraw/zinc/43/62/03/432436203.db2.gz DEEIDQDPTBTITG-OLZOCXBDSA-N 0 0 324.421 3.163 10 30 DGEERN COc1ccc(N(C(=O)c2ccnc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000193037904 432441406 /nfs/dbraw/zinc/44/14/06/432441406.db2.gz SCXCXDSSLFJZQT-ZDUSSCGKSA-N 0 0 321.380 3.407 10 30 DGEERN CCOc1ccccc1[C@H](CC)NC(=O)c1ccnc(C#N)c1 ZINC000193064285 432445425 /nfs/dbraw/zinc/44/54/25/432445425.db2.gz VMBHINNZZNEGHH-INIZCTEOSA-N 0 0 309.369 3.233 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(C#N)c2)s1 ZINC000175246227 432415810 /nfs/dbraw/zinc/41/58/10/432415810.db2.gz RQEPTRJICPLQGO-SNVBAGLBSA-N 0 0 301.371 3.283 10 30 DGEERN Cc1ccc(NCc2nccn2CCc2ccccc2)nc1C#N ZINC000193470051 432476626 /nfs/dbraw/zinc/47/66/26/432476626.db2.gz GPRMQPVDXXFHRF-UHFFFAOYSA-N 0 0 317.396 3.313 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@@H]2OC)nnc1-c1ccco1 ZINC000273085718 432548722 /nfs/dbraw/zinc/54/87/22/432548722.db2.gz HQRZFQVOEKHTOW-AAEUAGOBSA-N 0 0 305.403 3.384 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC)c1ccccc1S(=O)(=O)CC ZINC000185967850 432550269 /nfs/dbraw/zinc/55/02/69/432550269.db2.gz XQOOAZGKENVHEF-AWEZNQCLSA-N 0 0 323.458 3.435 10 30 DGEERN CC#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966180 432550839 /nfs/dbraw/zinc/55/08/39/432550839.db2.gz JDBDKZMJCWBKMS-SJLPKXTDSA-N 0 0 320.383 3.020 10 30 DGEERN N#CC1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000194475260 432554178 /nfs/dbraw/zinc/55/41/78/432554178.db2.gz IGDOBGMAOHDQAK-UHFFFAOYSA-N 0 0 314.719 3.230 10 30 DGEERN COC(=O)c1cc(F)ccc1COc1ccc(C#N)c(OC)c1 ZINC000194493853 432554750 /nfs/dbraw/zinc/55/47/50/432554750.db2.gz UCGIZKMGVSOCGA-UHFFFAOYSA-N 0 0 315.300 3.072 10 30 DGEERN COc1cc(OCc2nnc(-c3ccccc3)o2)ccc1C#N ZINC000194511903 432557151 /nfs/dbraw/zinc/55/71/51/432557151.db2.gz PATHORIEFMISEQ-UHFFFAOYSA-N 0 0 307.309 3.196 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000186099040 432559134 /nfs/dbraw/zinc/55/91/34/432559134.db2.gz IHVKPRXKLRIWQQ-HIFRSBDPSA-N 0 0 301.386 3.282 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000194560956 432560043 /nfs/dbraw/zinc/56/00/43/432560043.db2.gz VPFOJANBZVJEQP-LLVKDONJSA-N 0 0 312.410 3.114 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000194562749 432561036 /nfs/dbraw/zinc/56/10/36/432561036.db2.gz AQYJJKDGPLNPMU-GHMZBOCLSA-N 0 0 310.385 3.326 10 30 DGEERN Oc1ccccc1-c1nc(SCC#Cc2ccccc2)n[nH]1 ZINC000194589480 432562147 /nfs/dbraw/zinc/56/21/47/432562147.db2.gz WMEMAJKRPGHIHA-UHFFFAOYSA-N 0 0 307.378 3.321 10 30 DGEERN C=CCSCCNC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000194632596 432563817 /nfs/dbraw/zinc/56/38/17/432563817.db2.gz PIBJKTXSEFLLAC-UHFFFAOYSA-N 0 0 315.442 3.155 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000185583875 432513428 /nfs/dbraw/zinc/51/34/28/432513428.db2.gz NSUATYWAXHXIBW-RDJZCZTQSA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000185639254 432518424 /nfs/dbraw/zinc/51/84/24/432518424.db2.gz NSQBMFGWVVYWIX-SWLSCSKDSA-N 0 0 320.820 3.164 10 30 DGEERN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(c3ccccc3)C2)c1 ZINC000272541583 432521879 /nfs/dbraw/zinc/52/18/79/432521879.db2.gz QBKCHLUMUQQVDB-KRWDZBQOSA-N 0 0 305.381 3.452 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000185789146 432534131 /nfs/dbraw/zinc/53/41/31/432534131.db2.gz HOTWCNXPMROCBP-WFASDCNBSA-N 0 0 320.820 3.164 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000185805824 432535051 /nfs/dbraw/zinc/53/50/51/432535051.db2.gz VLHKFNMGHNUNMM-FUHWJXTLSA-N 0 0 301.430 3.449 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000185849549 432538809 /nfs/dbraw/zinc/53/88/09/432538809.db2.gz FWXQCHMZSDTYDC-GFCCVEGCSA-N 0 0 301.415 3.424 10 30 DGEERN CN(Cc1cccc2ccccc21)C(=O)c1cc(C#N)cn1C ZINC000176655238 432540256 /nfs/dbraw/zinc/54/02/56/432540256.db2.gz HNWIFBARMYYDRG-UHFFFAOYSA-N 0 0 303.365 3.322 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCC(=O)OC)c1cccc(F)c1 ZINC000185890891 432543581 /nfs/dbraw/zinc/54/35/81/432543581.db2.gz YJRBYKKNRMWFQR-ZDUSSCGKSA-N 0 0 307.365 3.324 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@H]2OC)nnc1-c1ccco1 ZINC000273085719 432547993 /nfs/dbraw/zinc/54/79/93/432547993.db2.gz HQRZFQVOEKHTOW-DGCLKSJQSA-N 0 0 305.403 3.384 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2c(Cl)cccc2C#N)C1 ZINC000176953460 432568837 /nfs/dbraw/zinc/56/88/37/432568837.db2.gz JLTHHXIFPVLCOA-GFCCVEGCSA-N 0 0 306.793 3.380 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000176951582 432569743 /nfs/dbraw/zinc/56/97/43/432569743.db2.gz CYDYWBREZLJGLJ-UHFFFAOYSA-N 0 0 315.804 3.258 10 30 DGEERN CCN(C(=O)[C@@H]1CCOC[C@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000194757695 432573431 /nfs/dbraw/zinc/57/34/31/432573431.db2.gz MMNPLSVMRLVLAA-BXUZGUMPSA-N 0 0 306.793 3.237 10 30 DGEERN COc1cccc([C@H]2CN(Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186259760 432574957 /nfs/dbraw/zinc/57/49/57/432574957.db2.gz GHVNQMHVVWRVKB-HXUWFJFHSA-N 0 0 322.408 3.449 10 30 DGEERN N#Cc1ccc(CC(=O)NCCCCOCc2ccccc2)cc1 ZINC000194763757 432575423 /nfs/dbraw/zinc/57/54/23/432575423.db2.gz OLOOVBXJMCRTAW-UHFFFAOYSA-N 0 0 322.408 3.214 10 30 DGEERN Cc1cc(C#N)ccc1CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000186331027 432582863 /nfs/dbraw/zinc/58/28/63/432582863.db2.gz CVTJPQAFZIIRQP-OAHLLOKOSA-N 0 0 317.396 3.298 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000156186171 432590609 /nfs/dbraw/zinc/59/06/09/432590609.db2.gz VVNWFCAITDLZAP-SNVBAGLBSA-N 0 0 324.789 3.153 10 30 DGEERN Cc1c(Cl)cnc(NCc2cn3c(n2)CCCC3)c1C#N ZINC000273376157 432592284 /nfs/dbraw/zinc/59/22/84/432592284.db2.gz SENBUUUATWZITL-UHFFFAOYSA-N 0 0 301.781 3.060 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000273444743 432599292 /nfs/dbraw/zinc/59/92/92/432599292.db2.gz ZPRZPBMJPOVDDM-MRVPVSSYSA-N 0 0 319.188 3.061 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCC(C)(C)CCC#N)C1 ZINC000195073936 432601092 /nfs/dbraw/zinc/60/10/92/432601092.db2.gz ANSTXKXYNQAHQR-CYBMUJFWSA-N 0 0 324.421 3.117 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000273477894 432601912 /nfs/dbraw/zinc/60/19/12/432601912.db2.gz LILNBFDECHTZHA-KOLCDFICSA-N 0 0 302.201 3.150 10 30 DGEERN Cc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c(C)n1 ZINC000156591299 432602500 /nfs/dbraw/zinc/60/25/00/432602500.db2.gz TZUONYKSXBWVOE-LJQANCHMSA-N 0 0 307.397 3.343 10 30 DGEERN N#C[C@H](NC(=O)CC1(CSc2ccccc2)CC1)C1CC1 ZINC000186673511 432620805 /nfs/dbraw/zinc/62/08/05/432620805.db2.gz TWBYMQUSQRKVFL-HNNXBMFYSA-N 0 0 300.427 3.367 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(C#N)cs2)no1 ZINC000177502064 432630683 /nfs/dbraw/zinc/63/06/83/432630683.db2.gz NOABRCWVLXRUQJ-LLVKDONJSA-N 0 0 316.386 3.103 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)no1 ZINC000177502054 432631221 /nfs/dbraw/zinc/63/12/21/432631221.db2.gz NOABRCWVLXRUQJ-NSHDSACASA-N 0 0 316.386 3.103 10 30 DGEERN COC(=O)c1scc(C)c1NC(=O)c1ccc(C#N)cc1C ZINC000186909711 432636397 /nfs/dbraw/zinc/63/63/97/432636397.db2.gz AVIASXIXLNYNII-UHFFFAOYSA-N 0 0 314.366 3.276 10 30 DGEERN CC(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000186989854 432641561 /nfs/dbraw/zinc/64/15/61/432641561.db2.gz NJGIRBRNVVOGHI-UHFFFAOYSA-N 0 0 304.349 3.431 10 30 DGEERN CCCCCCCC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000187040944 432642850 /nfs/dbraw/zinc/64/28/50/432642850.db2.gz REXASVVXNLBBAK-HOTGVXAUSA-N 0 0 311.466 3.437 10 30 DGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187143067 432648723 /nfs/dbraw/zinc/64/87/23/432648723.db2.gz WPGXRXLNHOUDPJ-ZDUSSCGKSA-N 0 0 318.421 3.194 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000274326955 432652372 /nfs/dbraw/zinc/65/23/72/432652372.db2.gz ADOQELPAAXOFFP-ZDUSSCGKSA-N 0 0 303.402 3.494 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC ZINC000274330638 432652747 /nfs/dbraw/zinc/65/27/47/432652747.db2.gz IUQYUVRIHHVMAZ-LLVKDONJSA-N 0 0 321.373 3.031 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)[C@@H](C)CC(=C)C ZINC000274342891 432654285 /nfs/dbraw/zinc/65/42/85/432654285.db2.gz LKFHNRXHFHNXJI-ARFHVFGLSA-N 0 0 308.466 3.154 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCCOc3ccccc3)CC2)cc1 ZINC000187359897 432659121 /nfs/dbraw/zinc/65/91/21/432659121.db2.gz SUFNHSCTNSMTBI-UHFFFAOYSA-N 0 0 320.392 3.175 10 30 DGEERN C=CCCCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000274434131 432667653 /nfs/dbraw/zinc/66/76/53/432667653.db2.gz CDPNACQHXKXBBQ-CJNGLKHVSA-N 0 0 300.402 3.367 10 30 DGEERN Cc1ccc(CC(=O)NC2(C#N)CCCC2)cc1Br ZINC000188030001 432700753 /nfs/dbraw/zinc/70/07/53/432700753.db2.gz MYNGWELBULFFCF-UHFFFAOYSA-N 0 0 321.218 3.253 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000188029022 432700819 /nfs/dbraw/zinc/70/08/19/432700819.db2.gz DXDHPJDQIGLIES-HNNXBMFYSA-N 0 0 322.364 3.344 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000188146204 432707326 /nfs/dbraw/zinc/70/73/26/432707326.db2.gz UTRBELKLCJQGQV-DOTOQJQBSA-N 0 0 302.418 3.034 10 30 DGEERN N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[O-] ZINC000188259491 432714976 /nfs/dbraw/zinc/71/49/76/432714976.db2.gz VMHYXSJPRVBJTN-UHFFFAOYSA-N 0 0 321.380 3.112 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)c1cccc(F)c1C#N ZINC000188302063 432716746 /nfs/dbraw/zinc/71/67/46/432716746.db2.gz GXXDEHHFLCZSOT-CYBMUJFWSA-N 0 0 312.344 3.032 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000188378441 432722301 /nfs/dbraw/zinc/72/23/01/432722301.db2.gz VQQBVKXVIHNZKL-QGZVFWFLSA-N 0 0 315.373 3.212 10 30 DGEERN C=C(CSc1nnc(-c2ccc(C)cc2)n1C)C(=O)OCC ZINC000187655866 432675145 /nfs/dbraw/zinc/67/51/45/432675145.db2.gz MHUYBZXTAURFLS-UHFFFAOYSA-N 0 0 317.414 3.002 10 30 DGEERN CC[N@H+](CCCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159361110 432680544 /nfs/dbraw/zinc/68/05/44/432680544.db2.gz FSEIIJXABBHYMR-UHFFFAOYSA-N 0 0 315.442 3.348 10 30 DGEERN COc1ccc(O)cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000188859484 432748101 /nfs/dbraw/zinc/74/81/01/432748101.db2.gz HRBLPQVBOIEIIZ-MRXNPFEDSA-N 0 0 310.353 3.176 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000178597346 432757139 /nfs/dbraw/zinc/75/71/39/432757139.db2.gz ZCTJCNBDGSPUAE-UHFFFAOYSA-N 0 0 316.364 3.364 10 30 DGEERN C=CC[C@@H](C(=O)N1CCOc2nc(C)ccc21)c1ccccc1 ZINC000189129939 432765610 /nfs/dbraw/zinc/76/56/10/432765610.db2.gz GDEAXRPNWDCNOK-MRXNPFEDSA-N 0 0 308.381 3.475 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000178696719 432767667 /nfs/dbraw/zinc/76/76/67/432767667.db2.gz SHHHUOIIUHJHPM-UHFFFAOYSA-N 0 0 319.408 3.357 10 30 DGEERN CCCC[C@@H](NC(=O)c1sccc1C#N)C(=O)OC(C)(C)C ZINC000161240997 432767686 /nfs/dbraw/zinc/76/76/86/432767686.db2.gz YFJKJIDLBLUGPZ-GFCCVEGCSA-N 0 0 322.430 3.250 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)c1nc(C)sc1C ZINC000178704935 432768469 /nfs/dbraw/zinc/76/84/69/432768469.db2.gz BLXWITINXVVMOR-UHFFFAOYSA-N 0 0 302.355 3.250 10 30 DGEERN COc1ccc(F)cc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000189364878 432780991 /nfs/dbraw/zinc/78/09/91/432780991.db2.gz WJLNYJHLSRWFEK-UHFFFAOYSA-N 0 0 324.355 3.319 10 30 DGEERN CC[C@@H](CC#N)NC(=O)C1(c2ccccc2Br)CC1 ZINC000188726676 432741758 /nfs/dbraw/zinc/74/17/58/432741758.db2.gz VGHSUVOVCJWVRF-NSHDSACASA-N 0 0 321.218 3.289 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)NCc1ccc(C#N)cc1F ZINC000188773134 432745350 /nfs/dbraw/zinc/74/53/50/432745350.db2.gz JRAHGOYZHNCDRZ-UHFFFAOYSA-N 0 0 315.348 3.122 10 30 DGEERN COc1ccc(CSc2n[nH]c(-c3cccnc3)n2)cc1C#N ZINC000162950098 432839339 /nfs/dbraw/zinc/83/93/39/432839339.db2.gz CQYWFBMXWGTEMA-UHFFFAOYSA-N 0 0 323.381 3.039 10 30 DGEERN N#Cc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)o1 ZINC000162739707 432833535 /nfs/dbraw/zinc/83/35/35/432833535.db2.gz LTOJCOZNUXMGSM-UHFFFAOYSA-N 0 0 315.804 3.122 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000277315871 432837895 /nfs/dbraw/zinc/83/78/95/432837895.db2.gz BULWWIIHOWKEEO-UHFFFAOYSA-N 0 0 323.436 3.336 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1cc(F)ccc1OC ZINC000189392956 432783030 /nfs/dbraw/zinc/78/30/30/432783030.db2.gz KKOXZTOALVUGQJ-UHFFFAOYSA-N 0 0 315.344 3.329 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)CCC ZINC000276462132 432810484 /nfs/dbraw/zinc/81/04/84/432810484.db2.gz ODFMYOHJZWGWDG-UHFFFAOYSA-N 0 0 323.458 3.302 10 30 DGEERN N#C[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000189689891 432811438 /nfs/dbraw/zinc/81/14/38/432811438.db2.gz KPESBHGVXQLNMI-ZDUSSCGKSA-N 0 0 308.303 3.155 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189713140 432812464 /nfs/dbraw/zinc/81/24/64/432812464.db2.gz BECJMRSASSIMCB-CQSZACIVSA-N 0 0 315.335 3.033 10 30 DGEERN N#Cc1cccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000240647888 432815275 /nfs/dbraw/zinc/81/52/75/432815275.db2.gz AFHVIWBKNKKSCI-UHFFFAOYSA-N 0 0 323.327 3.055 10 30 DGEERN N#Cc1cc(F)c(N2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000268381565 432867151 /nfs/dbraw/zinc/86/71/51/432867151.db2.gz JPIXGRUCYOWUHF-CYBMUJFWSA-N 0 0 306.337 3.476 10 30 DGEERN CC[C@]1(CO)CCCN1C(=O)NCc1ccc(C2CC2)cc1 ZINC000330056639 432890655 /nfs/dbraw/zinc/89/06/55/432890655.db2.gz WFDPZCYDGDEHHI-GOSISDBHSA-N 0 0 302.418 3.215 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000288333208 432890914 /nfs/dbraw/zinc/89/09/14/432890914.db2.gz VKQKMTIWMGJYJI-UHFFFAOYSA-N 0 0 319.408 3.399 10 30 DGEERN Cc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2cccnc2)sc1C ZINC000330116267 432892988 /nfs/dbraw/zinc/89/29/88/432892988.db2.gz VDTRFUJXIFVNHS-DZGCQCFKSA-N 0 0 317.414 3.389 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccnc(C)n2)C12CCCC2 ZINC000330122814 432893971 /nfs/dbraw/zinc/89/39/71/432893971.db2.gz KNCGZOHDDOABRA-KBPBESRZSA-N 0 0 318.421 3.000 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H]2C2CC2)cs1 ZINC000330162126 432895230 /nfs/dbraw/zinc/89/52/30/432895230.db2.gz AEGYTVIGIAKTTL-SNPRPXQTSA-N 0 0 321.446 3.070 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000288702934 432896691 /nfs/dbraw/zinc/89/66/91/432896691.db2.gz ZRSGJPXGPOWWJJ-UHFFFAOYSA-N 0 0 320.186 3.059 10 30 DGEERN CC(C)(C)c1nnsc1C(=O)NCc1ccc2c(c1)COC2 ZINC000330221981 432898480 /nfs/dbraw/zinc/89/84/80/432898480.db2.gz RKILDKWWBOOOEA-UHFFFAOYSA-N 0 0 317.414 3.371 10 30 DGEERN COc1cccc2c1CC[C@@H]2NC(=O)[C@@]1(C)CCCNC1=O ZINC000330299447 432903678 /nfs/dbraw/zinc/90/36/78/432903678.db2.gz HZTUHSJJWAJJKW-GUYCJALGSA-N 0 0 302.374 3.396 10 30 DGEERN C#CCC(CC#C)C(=O)NCCCCOc1ccc(Cl)cc1 ZINC000288997358 432911139 /nfs/dbraw/zinc/91/11/39/432911139.db2.gz FYOYEJOMDIZHAR-UHFFFAOYSA-N 0 0 317.816 3.278 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(Cn2cc(Br)cn2)no1 ZINC000289048230 432916903 /nfs/dbraw/zinc/91/69/03/432916903.db2.gz MOYFQGXHLRQDKU-SECBINFHSA-N 0 0 311.183 3.147 10 30 DGEERN C=C[C@H](CC(=O)N1CC=C(c2ccnn2C)CC1)c1ccccc1 ZINC000289063747 432918310 /nfs/dbraw/zinc/91/83/10/432918310.db2.gz ODCWUYWRUYDZIK-MRXNPFEDSA-N 0 0 321.424 3.396 10 30 DGEERN C#Cc1ccc(CNC(=O)C2(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000296539287 432920035 /nfs/dbraw/zinc/92/00/35/432920035.db2.gz XORWMGMFGZQYPD-UHFFFAOYSA-N 0 0 318.420 3.082 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1NC(=O)CC12CCCCC2 ZINC000297650365 433002593 /nfs/dbraw/zinc/00/25/93/433002593.db2.gz NFHQBISNAMRGFN-UHFFFAOYSA-N 0 0 303.793 3.151 10 30 DGEERN C#CCOc1ccc(CNC(=O)CCCC[C@@H](C)C(C)=O)cc1 ZINC000297107723 432960273 /nfs/dbraw/zinc/96/02/73/432960273.db2.gz SCJOXAQBEXBUPP-OAHLLOKOSA-N 0 0 315.413 3.100 10 30 DGEERN C=CCn1c(Cc2ccccc2OC)nnc1N(CC)C1CC1 ZINC000290347040 433036937 /nfs/dbraw/zinc/03/69/37/433036937.db2.gz KCPPUXXAWUQBKU-UHFFFAOYSA-N 0 0 312.417 3.052 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425037524 433080279 /nfs/dbraw/zinc/08/02/79/433080279.db2.gz KPPBFQWYGHTDET-GOEBONIOSA-N 0 0 307.434 3.149 10 30 DGEERN C=C(C)CN(CC)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000298422199 433132005 /nfs/dbraw/zinc/13/20/05/433132005.db2.gz LTQPGTUMOKCLDZ-CJNGLKHVSA-N 0 0 300.402 3.319 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000280690123 433137017 /nfs/dbraw/zinc/13/70/17/433137017.db2.gz FPSITSGKDIMFIC-YOEHRIQHSA-N 0 0 310.401 3.240 10 30 DGEERN C=CCC1(C(=O)NCCCSc2ccccn2)CCOCC1 ZINC000425297143 433150844 /nfs/dbraw/zinc/15/08/44/433150844.db2.gz ANPCHFFSZMLXIS-UHFFFAOYSA-N 0 0 320.458 3.053 10 30 DGEERN C=CCC1(C(=O)Nc2cc([C@H](C)CCC)[nH]n2)CCOCC1 ZINC000425175908 433116399 /nfs/dbraw/zinc/11/63/99/433116399.db2.gz BSEHEFPQORTWNW-CYBMUJFWSA-N 0 0 305.422 3.625 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CCOCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000373466870 433154977 /nfs/dbraw/zinc/15/49/77/433154977.db2.gz RFHVHIJTTXRQNU-MLGOLLRUSA-N 0 0 324.371 3.402 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000373856688 433165011 /nfs/dbraw/zinc/16/50/11/433165011.db2.gz WVJZSJDXZGAATP-MRXNPFEDSA-N 0 0 311.385 3.116 10 30 DGEERN COc1cc(C)c(C(=O)[C@H](C#N)c2nc(C)cs2)cc1OC ZINC000447244079 433173913 /nfs/dbraw/zinc/17/39/13/433173913.db2.gz KEXHLVVVVZQRRU-LBPRGKRZSA-N 0 0 316.382 3.267 10 30 DGEERN C=CCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@]1(C)CCCO1 ZINC000453436148 433182283 /nfs/dbraw/zinc/18/22/83/433182283.db2.gz HMLIYERGYVRWIA-YJBOKZPZSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453441349 433187798 /nfs/dbraw/zinc/18/77/98/433187798.db2.gz OEYVCKWFOVXQSF-JKIFEVAISA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N(CC)C2CCCC2)nnc1[C@]1(C)CCCO1 ZINC000453441955 433188183 /nfs/dbraw/zinc/18/81/83/433188183.db2.gz OZWDRQLJCXTJBI-KRWDZBQOSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCn1c(N2CCCC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453448929 433189360 /nfs/dbraw/zinc/18/93/60/433189360.db2.gz ZMQWOYQLFNSCON-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000453461312 433199402 /nfs/dbraw/zinc/19/94/02/433199402.db2.gz GGEJCGQQDVZQPV-ZNMIVQPWSA-N 0 0 302.422 3.085 10 30 DGEERN CC1(C)CCCC[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000447534226 433216808 /nfs/dbraw/zinc/21/68/08/433216808.db2.gz VQIQVDCVIWUMKV-KRWDZBQOSA-N 0 0 312.413 3.364 10 30 DGEERN C=CCNC(=O)[C@@H](C)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000337254860 433218397 /nfs/dbraw/zinc/21/83/97/433218397.db2.gz RBAHWDYRRGZEEQ-CYBMUJFWSA-N 0 0 324.827 3.291 10 30 DGEERN C=C(CNC(=O)NCCCc1nccs1)c1ccccc1 ZINC000291238130 433230965 /nfs/dbraw/zinc/23/09/65/433230965.db2.gz LZGMJQWVSSAGHX-UHFFFAOYSA-N 0 0 301.415 3.088 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000291298530 433234337 /nfs/dbraw/zinc/23/43/37/433234337.db2.gz TZABLDJKYFYDRV-MRXNPFEDSA-N 0 0 308.447 3.144 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@H](O)C1(C)C)c1ccccc1 ZINC000361548537 433240094 /nfs/dbraw/zinc/24/00/94/433240094.db2.gz ZHGUDABNULZTAI-CVEARBPZSA-N 0 0 302.418 3.249 10 30 DGEERN CC#CCCNC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000361556486 433245245 /nfs/dbraw/zinc/24/52/45/433245245.db2.gz HTDJJHNWORWPNF-MRXNPFEDSA-N 0 0 314.433 3.088 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000447612096 433248794 /nfs/dbraw/zinc/24/87/94/433248794.db2.gz PAWDQKOMXFJDQR-HNNXBMFYSA-N 0 0 305.393 3.455 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C(=O)OC)sc2C)CCOCC1 ZINC000425605723 433316052 /nfs/dbraw/zinc/31/60/52/433316052.db2.gz LPAWSZMIJIHUQO-UHFFFAOYSA-N 0 0 323.414 3.155 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2csc(C)n2)cc1OC ZINC000338130723 433280379 /nfs/dbraw/zinc/28/03/79/433280379.db2.gz IHPQQPFAEFGNLC-UHFFFAOYSA-N 0 0 304.371 3.277 10 30 DGEERN C=CCCCNc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000447805477 433284791 /nfs/dbraw/zinc/28/47/91/433284791.db2.gz JIZRKUZYXBZOCX-UHFFFAOYSA-N 0 0 303.793 3.323 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccccc3OC[C@@H]2C)CCOCC1 ZINC000425559454 433302748 /nfs/dbraw/zinc/30/27/48/433302748.db2.gz HCCACEDODWBIRL-HNNXBMFYSA-N 0 0 315.413 3.169 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000420907102 433303166 /nfs/dbraw/zinc/30/31/66/433303166.db2.gz SWRQBUQYJLVSAI-KGLIPLIRSA-N 0 0 308.447 3.403 10 30 DGEERN C[C@@H](C#N)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000299229106 433350587 /nfs/dbraw/zinc/35/05/87/433350587.db2.gz CYSFPKHRVZGVPZ-UWVGGRQHSA-N 0 0 315.200 3.379 10 30 DGEERN C=C(C)COCCNC(=O)Nc1ccc(Cl)cc1COC ZINC000425718755 433350820 /nfs/dbraw/zinc/35/08/20/433350820.db2.gz PBBBXCWVUYQEEB-UHFFFAOYSA-N 0 0 312.797 3.201 10 30 DGEERN C=CCCCNC(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000448065208 433360427 /nfs/dbraw/zinc/36/04/27/433360427.db2.gz SIUXSVSOIBCCLY-UHFFFAOYSA-N 0 0 315.417 3.223 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC1CC1)C1CCCCC1 ZINC000425849673 433361844 /nfs/dbraw/zinc/36/18/44/433361844.db2.gz FUNGCYJJGAIIHM-RDJZCZTQSA-N 0 0 306.450 3.332 10 30 DGEERN C[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F)c1ccc(C#N)cc1 ZINC000291724716 433328567 /nfs/dbraw/zinc/32/85/67/433328567.db2.gz XAWYQDIORSLTRW-HZUKXOBISA-N 0 0 319.355 3.306 10 30 DGEERN C=CCCCNC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000447954627 433328913 /nfs/dbraw/zinc/32/89/13/433328913.db2.gz MBGJDHGPWHRSQR-JKSUJKDBSA-N 0 0 306.381 3.311 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000425667437 433339226 /nfs/dbraw/zinc/33/92/26/433339226.db2.gz DHPZGBIPIIAWMY-KKUMJFAQSA-N 0 0 320.437 3.203 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCCCc1nccs1 ZINC000292003875 433425355 /nfs/dbraw/zinc/42/53/55/433425355.db2.gz XKXZJBWQIMSJRE-UHFFFAOYSA-N 0 0 319.430 3.109 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000425979353 433388314 /nfs/dbraw/zinc/38/83/14/433388314.db2.gz HZDBPNCNKXZNFP-NSHDSACASA-N 0 0 300.358 3.495 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000425979352 433391381 /nfs/dbraw/zinc/39/13/81/433391381.db2.gz HZDBPNCNKXZNFP-LLVKDONJSA-N 0 0 300.358 3.495 10 30 DGEERN C=CCCCNC(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000448389460 433403524 /nfs/dbraw/zinc/40/35/24/433403524.db2.gz RTLUVZRMQCFAMB-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCOC[C@H]1CCOC ZINC000361841203 433415231 /nfs/dbraw/zinc/41/52/31/433415231.db2.gz BGFZJWVXIBTREF-MRXNPFEDSA-N 0 0 318.417 3.074 10 30 DGEERN C=C(Br)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282028485 433470993 /nfs/dbraw/zinc/47/09/93/433470993.db2.gz KTVXBKIDGYGKMM-CYBMUJFWSA-N 0 0 324.266 3.307 10 30 DGEERN Cc1nn(C)c(C)c1CCNc1cc(C#N)nc2ccccc21 ZINC000301368780 433524782 /nfs/dbraw/zinc/52/47/82/433524782.db2.gz UAOYIBFPOVIKQI-UHFFFAOYSA-N 0 0 305.385 3.111 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)C(C)(C)C(C)(F)F)cc1 ZINC000448752420 433528728 /nfs/dbraw/zinc/52/87/28/433528728.db2.gz NFJNIPOHXBRGKZ-UHFFFAOYSA-N 0 0 310.344 3.222 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000455121760 433533568 /nfs/dbraw/zinc/53/35/68/433533568.db2.gz AOZZVNQPRPZYIU-UHFFFAOYSA-N 0 0 315.421 3.630 10 30 DGEERN COc1cccc([C@H](O)CNc2cc(C#N)nc3ccccc32)c1 ZINC000301396714 433533813 /nfs/dbraw/zinc/53/38/13/433533813.db2.gz NCGGPBCIBIECNS-LJQANCHMSA-N 0 0 319.364 3.261 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000455150283 433534139 /nfs/dbraw/zinc/53/41/39/433534139.db2.gz XTROOXBBOBSFQC-CYBMUJFWSA-N 0 0 304.438 3.886 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C(=O)N(C)C ZINC000362026889 433497886 /nfs/dbraw/zinc/49/78/86/433497886.db2.gz NFLGDHRRGPQERC-CYBMUJFWSA-N 0 0 317.433 3.137 10 30 DGEERN C=C[C@@H](Cc1nc(COC[C@H]2CCOC2)no1)c1ccccc1 ZINC000351397625 433501689 /nfs/dbraw/zinc/50/16/89/433501689.db2.gz FCXAEQMLODFBFI-GJZGRUSLSA-N 0 0 314.385 3.135 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000448701558 433504663 /nfs/dbraw/zinc/50/46/63/433504663.db2.gz PIQCYDIQZSZNMT-OLZOCXBDSA-N 0 0 315.291 3.157 10 30 DGEERN CC1(C)C[C@@]1(C#N)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000362173505 433563892 /nfs/dbraw/zinc/56/38/92/433563892.db2.gz NCPIYOISFWUENT-INIZCTEOSA-N 0 0 315.760 3.417 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@H]2OC)nnc1-c1cccnc1 ZINC000292535829 433578329 /nfs/dbraw/zinc/57/83/29/433578329.db2.gz APFQFKXXRMDFAX-ZIAGYGMSSA-N 0 0 316.430 3.186 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1ccn(CCc2ccccc2)n1 ZINC000448847382 433580192 /nfs/dbraw/zinc/58/01/92/433580192.db2.gz WKADWVCNHYZYLO-LJQANCHMSA-N 0 0 324.428 3.184 10 30 DGEERN Cc1cc(C)c(CNc2c(C#N)cnc3ccccc32)c(=O)[nH]1 ZINC000301503060 433583602 /nfs/dbraw/zinc/58/36/02/433583602.db2.gz FRLCKKSZZURXOA-UHFFFAOYSA-N 0 0 304.353 3.436 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426761856 433587521 /nfs/dbraw/zinc/58/75/21/433587521.db2.gz DUHFOJYZXHOINF-KRWDZBQOSA-N 0 0 315.344 3.306 10 30 DGEERN Cc1nc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)cc1C#N ZINC000292731912 433590317 /nfs/dbraw/zinc/59/03/17/433590317.db2.gz UPBVNUVKURADQQ-BBRMVZONSA-N 0 0 305.809 3.047 10 30 DGEERN C=CCC1(NC(=O)c2ccc(CNC(C)=O)s2)CCCCC1 ZINC000456372224 433627878 /nfs/dbraw/zinc/62/78/78/433627878.db2.gz UEHJOCKPDUGXRH-UHFFFAOYSA-N 0 0 320.458 3.393 10 30 DGEERN C=CCn1c(C)cc(C(=O)CN2CCOc3ccccc32)c1C ZINC000362294545 433629014 /nfs/dbraw/zinc/62/90/14/433629014.db2.gz HDIQIKWERUMCPU-UHFFFAOYSA-N 0 0 310.397 3.373 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000448971291 433637832 /nfs/dbraw/zinc/63/78/32/433637832.db2.gz TXVZOGJFFXDBTP-SJORKVTESA-N 0 0 309.450 3.023 10 30 DGEERN N#Cc1ccnc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000282973096 433643657 /nfs/dbraw/zinc/64/36/57/433643657.db2.gz GKSQSPSWBSPUIK-QGZVFWFLSA-N 0 0 305.381 3.191 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)C[C@@H](C)C#N ZINC000282996651 433644454 /nfs/dbraw/zinc/64/44/54/433644454.db2.gz QUIBPOCQROAKHC-LBPRGKRZSA-N 0 0 313.405 3.327 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cn1cc(C=O)c2ccccc21 ZINC000283077584 433657393 /nfs/dbraw/zinc/65/73/93/433657393.db2.gz QEBFZFKJAYIEML-UHFFFAOYSA-N 0 0 324.302 3.031 10 30 DGEERN C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cn(-c2ccccc2)nn1 ZINC000301664425 433666393 /nfs/dbraw/zinc/66/63/93/433666393.db2.gz NTWOSVJMMYLFIE-LLVKDONJSA-N 0 0 324.775 3.360 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427081159 433649445 /nfs/dbraw/zinc/64/94/45/433649445.db2.gz KPIULFRYWLVTOJ-LBPRGKRZSA-N 0 0 318.804 3.250 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414540452 433701583 /nfs/dbraw/zinc/70/15/83/433701583.db2.gz PAHRAKUNSXFFMV-GJZGRUSLSA-N 0 0 312.442 3.215 10 30 DGEERN C#Cc1cccc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000376271692 433704615 /nfs/dbraw/zinc/70/46/15/433704615.db2.gz WWWNYJJEFWTBMU-KRWDZBQOSA-N 0 0 305.381 3.159 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000356819623 433714710 /nfs/dbraw/zinc/71/47/10/433714710.db2.gz YGNXJSZLYRIWKD-GFCCVEGCSA-N 0 0 324.371 3.342 10 30 DGEERN C=CCOc1ccccc1CNCc1nnc(C2CC2)s1 ZINC000414559140 433722018 /nfs/dbraw/zinc/72/20/18/433722018.db2.gz UJRKDSRPWGXNTJ-UHFFFAOYSA-N 0 0 301.415 3.270 10 30 DGEERN C#CCCCS(=O)(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000376392469 433728331 /nfs/dbraw/zinc/72/83/31/433728331.db2.gz UOZDRRACEKFNOC-ZFWWWQNUSA-N 0 0 309.431 3.104 10 30 DGEERN C#CCC1(C(=O)N2CCC3(CCOCC3)[C@@H]2C)CCCCC1 ZINC000376399683 433730406 /nfs/dbraw/zinc/73/04/06/433730406.db2.gz JFHDKHWGGBPCCA-INIZCTEOSA-N 0 0 303.446 3.378 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@H](CC)O1 ZINC000362496597 433731433 /nfs/dbraw/zinc/73/14/33/433731433.db2.gz HGJUGIKQEGVJKL-JKSUJKDBSA-N 0 0 318.373 3.067 10 30 DGEERN Cc1cc(NCc2ccn(-c3ccccc3)n2)c(C#N)c(C)n1 ZINC000301810242 433736070 /nfs/dbraw/zinc/73/60/70/433736070.db2.gz ZABCWGRZUBJHPZ-UHFFFAOYSA-N 0 0 303.369 3.368 10 30 DGEERN C=C[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000362590832 433775795 /nfs/dbraw/zinc/77/57/95/433775795.db2.gz ZGGBNTLXKUELME-OLZOCXBDSA-N 0 0 317.389 3.135 10 30 DGEERN C=CC[C@H](CO)Nc1ccnc2c(Br)cccc12 ZINC000302134452 433812099 /nfs/dbraw/zinc/81/20/99/433812099.db2.gz LUMHEDFRRCYBBK-SNVBAGLBSA-N 0 0 307.191 3.346 10 30 DGEERN C#CCOCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302135674 433814452 /nfs/dbraw/zinc/81/44/52/433814452.db2.gz HXCXZUUIIUZLJS-UHFFFAOYSA-N 0 0 322.670 3.329 10 30 DGEERN C=CC[C@@H](CO)Nc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000302157742 433816702 /nfs/dbraw/zinc/81/67/02/433816702.db2.gz WXZZJWKBWOQKFB-NSHDSACASA-N 0 0 314.172 3.392 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000456771880 433817956 /nfs/dbraw/zinc/81/79/56/433817956.db2.gz WALDAWGBJVDAKQ-ZWKOTPCHSA-N 0 0 303.446 3.335 10 30 DGEERN C=CCO[C@H]1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)C1 ZINC000302154406 433818030 /nfs/dbraw/zinc/81/80/30/433818030.db2.gz MORZCJWUFUOTAY-HNNXBMFYSA-N 0 0 311.360 3.335 10 30 DGEERN C=CCO[C@@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000302171140 433818149 /nfs/dbraw/zinc/81/81/49/433818149.db2.gz PXEAUZKOOPDZIG-GFCCVEGCSA-N 0 0 307.191 3.102 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)c(CC(C)C)c(C)n1 ZINC000435589914 433875789 /nfs/dbraw/zinc/87/57/89/433875789.db2.gz VSFHVIMIQVEDMS-RDJZCZTQSA-N 0 0 303.450 3.685 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000362694570 433827760 /nfs/dbraw/zinc/82/77/60/433827760.db2.gz LFSGZAJYEDPDCA-GMSGAONNSA-N 0 0 301.173 3.301 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000376851177 433831571 /nfs/dbraw/zinc/83/15/71/433831571.db2.gz WUHLFCDMCZDBMR-OAHLLOKOSA-N 0 0 319.408 3.021 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000376960947 433841022 /nfs/dbraw/zinc/84/10/22/433841022.db2.gz NFCFPOVPDQNLOD-DNVCBOLYSA-N 0 0 309.409 3.268 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000376949950 433841835 /nfs/dbraw/zinc/84/18/35/433841835.db2.gz TXYBUANRTZRZRJ-LJQANCHMSA-N 0 0 320.367 3.089 10 30 DGEERN COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1F ZINC000302727899 433842832 /nfs/dbraw/zinc/84/28/32/433842832.db2.gz OSXHNBPSAQXRPG-SECBINFHSA-N 0 0 316.292 3.182 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(F)c(C)c2)s1 ZINC000433079840 433843131 /nfs/dbraw/zinc/84/31/31/433843131.db2.gz YZEJHWCYWCPPSO-LLVKDONJSA-N 0 0 319.405 3.680 10 30 DGEERN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000377011094 433845019 /nfs/dbraw/zinc/84/50/19/433845019.db2.gz XLUMUUAURPXXPN-AQNXPRMDSA-N 0 0 309.457 3.169 10 30 DGEERN CC(C)(CCC#N)CNC(=O)Nc1cccc2c1OCCC2 ZINC000377307599 433853336 /nfs/dbraw/zinc/85/33/36/433853336.db2.gz YCSVZTBSZJUJHO-UHFFFAOYSA-N 0 0 301.390 3.463 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1F ZINC000449906439 433864658 /nfs/dbraw/zinc/86/46/58/433864658.db2.gz YKEYRFCXFZWYPN-AWEZNQCLSA-N 0 0 303.312 3.056 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC[C@]12CCOC2)c1ccc(F)c(F)c1 ZINC000422181282 433896839 /nfs/dbraw/zinc/89/68/39/433896839.db2.gz LZNPKJRWRYAIMC-NVXWUHKLSA-N 0 0 322.355 3.156 10 30 DGEERN N#Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)s1 ZINC000362921157 433906461 /nfs/dbraw/zinc/90/64/61/433906461.db2.gz ACNQXIWNAOKQBJ-UHFFFAOYSA-N 0 0 311.410 3.019 10 30 DGEERN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000285164935 433920072 /nfs/dbraw/zinc/92/00/72/433920072.db2.gz PUSPWTHTLICPAV-HKUYNNGSSA-N 0 0 313.445 3.097 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@H](COC)CC1 ZINC000457028881 433944125 /nfs/dbraw/zinc/94/41/25/433944125.db2.gz HJFMSDXMMKCNIK-HNNXBMFYSA-N 0 0 303.402 3.140 10 30 DGEERN C=CC(C)(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000450097440 433969607 /nfs/dbraw/zinc/96/96/07/433969607.db2.gz OQQOWPWTYRFWNI-JTQLQIEISA-N 0 0 310.419 3.018 10 30 DGEERN C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000285533671 433985328 /nfs/dbraw/zinc/98/53/28/433985328.db2.gz CTGHAONYFJEBOE-NWDGAFQWSA-N 0 0 304.365 3.492 10 30 DGEERN C=CCC(F)(F)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000293957176 433941037 /nfs/dbraw/zinc/94/10/37/433941037.db2.gz GXHKNLPXJUYRGU-UHFFFAOYSA-N 0 0 308.303 3.403 10 30 DGEERN C=CCC[C@@H](NC(=O)c1cn(CC2CC2)nn1)c1ccccc1 ZINC000450181218 434016706 /nfs/dbraw/zinc/01/67/06/434016706.db2.gz PRRQTSLYTVSMKU-MRXNPFEDSA-N 0 0 310.401 3.125 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCCC1CCOCC1 ZINC000285592130 434001550 /nfs/dbraw/zinc/00/15/50/434001550.db2.gz BHIVXNISRCALLN-LJQANCHMSA-N 0 0 313.441 3.334 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)n1 ZINC000436717349 434082430 /nfs/dbraw/zinc/08/24/30/434082430.db2.gz BVNMNDKKQIJZQH-LBPRGKRZSA-N 0 0 322.347 3.155 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000457205670 434047903 /nfs/dbraw/zinc/04/79/03/434047903.db2.gz MJGBUUXPGKMRTE-DJIMGWMZSA-N 0 0 315.413 3.004 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000363409808 434048233 /nfs/dbraw/zinc/04/82/33/434048233.db2.gz ZZZKBIIPKYNWBB-CQSZACIVSA-N 0 0 311.410 3.019 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[C@H](CO)C2)c1 ZINC000416792904 434202361 /nfs/dbraw/zinc/20/23/61/434202361.db2.gz MOZXOCVWXXWWOA-GJZGRUSLSA-N 0 0 318.417 3.314 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(CSC)c1 ZINC000437483059 434267349 /nfs/dbraw/zinc/26/73/49/434267349.db2.gz KRMNSOQNNXZETG-XJKSGUPXSA-N 0 0 323.433 3.400 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C/C=C\c1cccc(F)c1 ZINC000437471735 434269448 /nfs/dbraw/zinc/26/94/48/434269448.db2.gz WXTWUXZNROAHBJ-MTWCHYJXSA-N 0 0 303.377 3.326 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC000437493864 434270612 /nfs/dbraw/zinc/27/06/12/434270612.db2.gz GBASLBXJSBENTO-ABAIWWIYSA-N 0 0 311.784 3.499 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[nH]c2cc(F)ccc21 ZINC000437498496 434270797 /nfs/dbraw/zinc/27/07/97/434270797.db2.gz NZASDGOHHRPOIY-BDJLRTHQSA-N 0 0 302.349 3.018 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000437498345 434271645 /nfs/dbraw/zinc/27/16/45/434271645.db2.gz IBAAHCIXEQLGBZ-IMFGXOCKSA-N 0 0 313.441 3.378 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1ccccc1OCC ZINC000437512948 434275275 /nfs/dbraw/zinc/27/52/75/434275275.db2.gz FSDPUXSMPKXENS-VQIMIIECSA-N 0 0 317.429 3.115 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(C)n1)OCC ZINC000364112303 434233275 /nfs/dbraw/zinc/23/32/75/434233275.db2.gz WGQYBOBUHWOLKC-LSDHHAIUSA-N 0 0 321.421 3.193 10 30 DGEERN CSc1ccc(CCNC(=O)c2sccc2C#N)cc1 ZINC000437530372 434283490 /nfs/dbraw/zinc/28/34/90/434283490.db2.gz YIFDQTQOFGIXGS-UHFFFAOYSA-N 0 0 302.424 3.314 10 30 DGEERN C=C[C@H](CC(=O)N1CCOC[C@H]1CC(F)F)c1ccccc1 ZINC000286760425 434290450 /nfs/dbraw/zinc/29/04/50/434290450.db2.gz PMLHHFVVTFKFDK-UKRRQHHQSA-N 0 0 309.356 3.229 10 30 DGEERN C=CCOc1ccc(CNC(=O)N(C)Cc2ccc(C)o2)cc1 ZINC000286751510 434290491 /nfs/dbraw/zinc/29/04/91/434290491.db2.gz FGTAYYBJZWGKRH-UHFFFAOYSA-N 0 0 314.385 3.494 10 30 DGEERN Cn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc3[nH]ccc32)CCO1 ZINC000328618953 434293380 /nfs/dbraw/zinc/29/33/80/434293380.db2.gz FHIKBNCXRTZFGP-PXAZEXFGSA-N 0 0 324.384 3.126 10 30 DGEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(C)o1 ZINC000328633100 434293794 /nfs/dbraw/zinc/29/37/94/434293794.db2.gz SKWFDDFLQGAOOQ-HOCLYGCPSA-N 0 0 317.389 3.224 10 30 DGEERN CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000328623778 434293809 /nfs/dbraw/zinc/29/38/09/434293809.db2.gz JNNDWDDTFYGZKQ-PMPSAXMXSA-N 0 0 315.417 3.175 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000286869461 434293853 /nfs/dbraw/zinc/29/38/53/434293853.db2.gz DCFCFPQBZQMWGM-HZPDHXFCSA-N 0 0 320.383 3.356 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1cnc2c(F)cccc2c1 ZINC000286818964 434294469 /nfs/dbraw/zinc/29/44/69/434294469.db2.gz CAUNPVGHBALEGQ-RHSMWYFYSA-N 0 0 315.344 3.398 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@H]1C(C)C)CCC2 ZINC000328660287 434295385 /nfs/dbraw/zinc/29/53/85/434295385.db2.gz VDJULHFTPUZLMP-HOTGVXAUSA-N 0 0 318.465 3.493 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1cccs1)CCC2 ZINC000328702079 434300764 /nfs/dbraw/zinc/30/07/64/434300764.db2.gz JMJHMRYUJAHXDK-STQMWFEESA-N 0 0 318.446 3.395 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]3CCC[C@@H]31)CCC2 ZINC000328702798 434301338 /nfs/dbraw/zinc/30/13/38/434301338.db2.gz JTZMQQOWTNHLBX-JYJNAYRXSA-N 0 0 316.449 3.247 10 30 DGEERN Cc1nnc([C@@H]2CCCCN2CC(=O)N[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000328689807 434301365 /nfs/dbraw/zinc/30/13/65/434301365.db2.gz QODDQZUZMIIJOJ-YUELXQCFSA-N 0 0 319.453 3.175 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H](C)C1(C)CC1)CCC2 ZINC000328719703 434302559 /nfs/dbraw/zinc/30/25/59/434302559.db2.gz QJVJNNXYNIUDOD-KGLIPLIRSA-N 0 0 304.438 3.103 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CCC23CCOCC3)c1 ZINC000365577826 434304414 /nfs/dbraw/zinc/30/44/14/434304414.db2.gz KCNCDUJYHGDGEI-UHFFFAOYSA-N 0 0 302.374 3.038 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1scnc1CC ZINC000287165913 434309345 /nfs/dbraw/zinc/30/93/45/434309345.db2.gz QOBYIHLDYYAHCG-AWEZNQCLSA-N 0 0 313.426 3.462 10 30 DGEERN Cn1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812488 434309714 /nfs/dbraw/zinc/30/97/14/434309714.db2.gz DNUBEIFMBXDTNY-RPVQJOFSSA-N 0 0 312.392 3.321 10 30 DGEERN CCCN(CCc1cccs1)C(=O)c1ccc(C#N)n1C ZINC000450641386 434312209 /nfs/dbraw/zinc/31/22/09/434312209.db2.gz AXGXXXSTAFXPOH-UHFFFAOYSA-N 0 0 301.415 3.053 10 30 DGEERN CCC[C@@]1(C)CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000437710229 434324452 /nfs/dbraw/zinc/32/44/52/434324452.db2.gz UDWYAUFMEPOHRI-INIZCTEOSA-N 0 0 324.421 3.288 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1 ZINC000287283951 434325722 /nfs/dbraw/zinc/32/57/22/434325722.db2.gz KWPUNPVNHQYMNU-SFHVURJKSA-N 0 0 307.393 3.076 10 30 DGEERN O=C(NC[C@@H]1COc2ccccc2O1)N1CCC[C@@H]1C1CCC1 ZINC000328910932 434328158 /nfs/dbraw/zinc/32/81/58/434328158.db2.gz FZWAHDXUBUJGHX-HUUCEWRRSA-N 0 0 316.401 3.005 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000364621298 434277191 /nfs/dbraw/zinc/27/71/91/434277191.db2.gz HEZQYWPPEXIACG-CZUORRHYSA-N 0 0 308.447 3.174 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000437521227 434277754 /nfs/dbraw/zinc/27/77/54/434277754.db2.gz DYARDGDQPFSXDU-WMLDXEAASA-N 0 0 317.433 3.168 10 30 DGEERN C=CCc1cc(C(=O)N2CCC[C@](C)(F)C2)cc(OC)c1OC ZINC000295444838 434366694 /nfs/dbraw/zinc/36/66/94/434366694.db2.gz FVKFDDTZJHFVQG-SFHVURJKSA-N 0 0 321.392 3.397 10 30 DGEERN C#CCCCS(=O)(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000366230714 434366643 /nfs/dbraw/zinc/36/66/43/434366643.db2.gz SGDHTKAHZNAAQW-LLVKDONJSA-N 0 0 317.863 3.112 10 30 DGEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000329219361 434373359 /nfs/dbraw/zinc/37/33/59/434373359.db2.gz SKZZCOVFFRTTTC-LEWSCRJBSA-N 0 0 324.808 3.235 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000438055791 434391816 /nfs/dbraw/zinc/39/18/16/434391816.db2.gz PJOGZPIJHPKZGG-ROUUACIJSA-N 0 0 316.445 3.426 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1Cc2ccccc2[C@@H]1C ZINC000438049531 434392072 /nfs/dbraw/zinc/39/20/72/434392072.db2.gz BHNUSQVAGBMWKZ-VBQJREDUSA-N 0 0 300.402 3.254 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 ZINC000417430514 434391045 /nfs/dbraw/zinc/39/10/45/434391045.db2.gz JQFXFMQQHFVCGY-ZDUSSCGKSA-N 0 0 304.390 3.393 10 30 DGEERN C#CCCOc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000295412741 434354322 /nfs/dbraw/zinc/35/43/22/434354322.db2.gz ULWAMCHIRUCQMW-DOTOQJQBSA-N 0 0 319.351 3.206 10 30 DGEERN CC(C)(O)CNc1c(Br)cc(Cl)cc1C#N ZINC000390133426 434356186 /nfs/dbraw/zinc/35/61/86/434356186.db2.gz KVWBYRJMBOFNNR-UHFFFAOYSA-N 0 0 303.587 3.157 10 30 DGEERN C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)c1cccs1 ZINC000366216433 434359259 /nfs/dbraw/zinc/35/92/59/434359259.db2.gz MGHWLBHOZFEGSF-LXZKKBNFSA-N 0 0 318.442 3.305 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(F)cc1C ZINC000438075517 434396084 /nfs/dbraw/zinc/39/60/84/434396084.db2.gz OQEQBHKAONSWSU-RHSMWYFYSA-N 0 0 320.408 3.257 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(F)cc1C ZINC000438075522 434396248 /nfs/dbraw/zinc/39/62/48/434396248.db2.gz OQEQBHKAONSWSU-YOEHRIQHSA-N 0 0 320.408 3.257 10 30 DGEERN CN(C)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC000358588567 434400472 /nfs/dbraw/zinc/40/04/72/434400472.db2.gz ZEHUIAVHBNEMJQ-UHFFFAOYSA-N 0 0 320.352 3.253 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCOc2ccccc21 ZINC000287581372 434400760 /nfs/dbraw/zinc/40/07/60/434400760.db2.gz XNTGKWFYFSOEEF-MJGOQNOKSA-N 0 0 319.404 3.304 10 30 DGEERN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C#N)n1C)[C@@H]2C ZINC000450780153 434403790 /nfs/dbraw/zinc/40/37/90/434403790.db2.gz PYDFTHQHZXGIAW-QWHCGFSZSA-N 0 0 323.396 3.053 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1F ZINC000366554521 434447883 /nfs/dbraw/zinc/44/78/83/434447883.db2.gz MGCBXCFYZRCJHU-MSOLQXFVSA-N 0 0 305.356 3.437 10 30 DGEERN C=CC(C)(C)C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000295560344 434413715 /nfs/dbraw/zinc/41/37/15/434413715.db2.gz XWWJSTPEMMTHBE-OAHLLOKOSA-N 0 0 314.429 3.046 10 30 DGEERN C=CC(C)(C)C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000295560341 434413736 /nfs/dbraw/zinc/41/37/36/434413736.db2.gz XWWJSTPEMMTHBE-HNNXBMFYSA-N 0 0 314.429 3.046 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000438144727 434421755 /nfs/dbraw/zinc/42/17/55/434421755.db2.gz MRWVGSIRBJORGK-WBOJAVRRSA-N 0 0 303.402 3.037 10 30 DGEERN C[C@H]1c2cccn2CCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000329571326 434431806 /nfs/dbraw/zinc/43/18/06/434431806.db2.gz IXTVHICKEARKDW-NSHDSACASA-N 0 0 316.430 3.098 10 30 DGEERN N#Cc1ccnc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000287822989 434460167 /nfs/dbraw/zinc/46/01/67/434460167.db2.gz KCAJLMODTYXKOW-ZDUSSCGKSA-N 0 0 323.318 3.148 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cccc(F)c1Br ZINC000417605880 434460544 /nfs/dbraw/zinc/46/05/44/434460544.db2.gz CPRFXPJCYWPGQY-SNVBAGLBSA-N 0 0 316.170 3.097 10 30 DGEERN C[C@H](C(=O)Nc1nccs1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329700746 434460560 /nfs/dbraw/zinc/46/05/60/434460560.db2.gz ZZSRBPIGFCBJAC-TZMCWYRMSA-N 0 0 323.462 3.401 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cccc(Br)c1F ZINC000417615187 434465134 /nfs/dbraw/zinc/46/51/34/434465134.db2.gz WXTVKBKKKJLWAQ-JTQLQIEISA-N 0 0 316.170 3.097 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cccc(Br)c1F ZINC000417615189 434465405 /nfs/dbraw/zinc/46/54/05/434465405.db2.gz WXTVKBKKKJLWAQ-SNVBAGLBSA-N 0 0 316.170 3.097 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000417622209 434471652 /nfs/dbraw/zinc/47/16/52/434471652.db2.gz GWTNZEBDLDCYLS-LBPRGKRZSA-N 0 0 317.307 3.137 10 30 DGEERN N#Cc1cnccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000399373433 434476204 /nfs/dbraw/zinc/47/62/04/434476204.db2.gz AOKFAPJJDOGJKJ-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(C)cc1Br ZINC000417634929 434479720 /nfs/dbraw/zinc/47/97/20/434479720.db2.gz ZIYISPABMJBPSK-GFCCVEGCSA-N 0 0 312.207 3.267 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)cc1Br ZINC000417634936 434480426 /nfs/dbraw/zinc/48/04/26/434480426.db2.gz ZJHSEUSFJURCIW-NSHDSACASA-N 0 0 316.170 3.097 10 30 DGEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CCc3ccccc31)CC2 ZINC000329816490 434483101 /nfs/dbraw/zinc/48/31/01/434483101.db2.gz FLHRXVQTCMYCOJ-ZBFHGGJFSA-N 0 0 324.428 3.403 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2cn(C)nc2C2CC2)cc1 ZINC000296035420 434486955 /nfs/dbraw/zinc/48/69/55/434486955.db2.gz MTEMWHHYVYXNSR-UHFFFAOYSA-N 0 0 311.385 3.044 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000458146261 434502381 /nfs/dbraw/zinc/50/23/81/434502381.db2.gz TVQFQESKANZBAJ-ZMSDIMECSA-N 0 0 300.402 3.122 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCCOc3c(Cl)cccc32)nn1 ZINC000301998860 294932691 /nfs/dbraw/zinc/93/26/91/294932691.db2.gz IJYSWJKXGQOQSV-CYBMUJFWSA-N 0 0 300.749 3.327 10 30 DGEERN Cc1ccc2[nH]c(CNc3nc4ccccn4c3C#N)nc2c1 ZINC000360127588 434525244 /nfs/dbraw/zinc/52/52/44/434525244.db2.gz KNXIMUBITOELSD-UHFFFAOYSA-N 0 0 302.341 3.003 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000408004510 434535993 /nfs/dbraw/zinc/53/59/93/434535993.db2.gz MIMYDBFMUAGAOH-PJQXDXOGSA-N 0 0 318.804 3.232 10 30 DGEERN C[C@@H]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)C2)C1 ZINC000408105003 434542135 /nfs/dbraw/zinc/54/21/35/434542135.db2.gz GEUPTWOXFJEWPS-BZNIZROVSA-N 0 0 300.362 3.065 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CCNC[C@@](C)(F)C1)c1ccccc1 ZINC000417907790 434546062 /nfs/dbraw/zinc/54/60/62/434546062.db2.gz FLVVXQJRGQHFNY-SJLPKXTDSA-N 0 0 319.424 3.037 10 30 DGEERN COc1cccc(CC2CCN(c3nc(C)cc(C#N)n3)CC2)c1 ZINC000367428701 434547993 /nfs/dbraw/zinc/54/79/93/434547993.db2.gz BNMLMYQHFPVHLO-UHFFFAOYSA-N 0 0 322.412 3.124 10 30 DGEERN Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C#N)cnn1C1CCCCC1 ZINC000408168231 434548932 /nfs/dbraw/zinc/54/89/32/434548932.db2.gz HZBKSIMQBXTKCH-CZUORRHYSA-N 0 0 300.406 3.119 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000451149591 434558158 /nfs/dbraw/zinc/55/81/58/434558158.db2.gz RDTGLAVEFLUJCF-GRYCIOLGSA-N 0 0 305.340 3.015 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H]1CCCc2nc(C)sc21)OCC ZINC000367880745 434558939 /nfs/dbraw/zinc/55/89/39/434558939.db2.gz VQORXNYOHRUUJH-KGLIPLIRSA-N 0 0 308.447 3.316 10 30 DGEERN CC1(C)CCCN(C(=O)Cc2ccc(O)cc2Cl)[C@H]1C#N ZINC000408400458 434570600 /nfs/dbraw/zinc/57/06/00/434570600.db2.gz SHNRMCWJLSEDSN-AWEZNQCLSA-N 0 0 306.793 3.129 10 30 DGEERN CCc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)s1 ZINC000408401901 434571751 /nfs/dbraw/zinc/57/17/51/434571751.db2.gz IRZODOLXFVEUNM-LBPRGKRZSA-N 0 0 312.460 3.013 10 30 DGEERN C=CCN(C(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000439148379 434571976 /nfs/dbraw/zinc/57/19/76/434571976.db2.gz YBXMNVOEBHSJLH-UHFFFAOYSA-N 0 0 320.392 3.412 10 30 DGEERN Cc1cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)c(C)s1 ZINC000408403214 434572446 /nfs/dbraw/zinc/57/24/46/434572446.db2.gz UCQMYJPIGWTPQP-CYBMUJFWSA-N 0 0 312.460 3.068 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000408421960 434574287 /nfs/dbraw/zinc/57/42/87/434574287.db2.gz DFHUBTIJGQNGHP-BPCQOVAHSA-N 0 0 317.355 3.300 10 30 DGEERN CCc1nc(C)c(NC(=O)NCCc2cccc(C#N)c2)s1 ZINC000439371124 434595092 /nfs/dbraw/zinc/59/50/92/434595092.db2.gz OTDDTQXLFOXQQM-UHFFFAOYSA-N 0 0 314.414 3.250 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000369537390 434595418 /nfs/dbraw/zinc/59/54/18/434595418.db2.gz QHHPCEQXIXMPNV-ZWKOTPCHSA-N 0 0 324.428 3.336 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC(c3nccc(C)n3)CC2)c1 ZINC000369493693 434596265 /nfs/dbraw/zinc/59/62/65/434596265.db2.gz LWFRUZVIDVICKL-UHFFFAOYSA-N 0 0 320.396 3.178 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452485545 434625905 /nfs/dbraw/zinc/62/59/05/434625905.db2.gz PNFHLSKEHRKWMW-HKUYNNGSSA-N 0 0 317.404 3.081 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(CCOC)CC(C)C ZINC000424121692 434627778 /nfs/dbraw/zinc/62/77/78/434627778.db2.gz ICZQUVPMXDXQMU-CQSZACIVSA-N 0 0 324.494 3.141 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCO[C@@](C)(CC)C1 ZINC000424123295 434628528 /nfs/dbraw/zinc/62/85/28/434628528.db2.gz JZZNGVCCEJPFOH-CJNGLKHVSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC2(CCC2)C1 ZINC000424121031 434628538 /nfs/dbraw/zinc/62/85/38/434628538.db2.gz HDXVCBYJSRSQDZ-CYBMUJFWSA-N 0 0 304.463 3.413 10 30 DGEERN C=C(C)CN(C)C(=O)Cc1c(F)ccc(Br)c1F ZINC000410021009 434629704 /nfs/dbraw/zinc/62/97/04/434629704.db2.gz SDOMULYPOJDOOW-UHFFFAOYSA-N 0 0 318.161 3.304 10 30 DGEERN CN(CC1CC1)c1cc(C#N)c([N+](=O)[O-])c(N(C)CC2CC2)c1 ZINC000360522907 434630589 /nfs/dbraw/zinc/63/05/89/434630589.db2.gz WHNXBVQDJOSJNS-UHFFFAOYSA-N 0 0 314.389 3.159 10 30 DGEERN C=C(CC)CSCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000424124278 434630679 /nfs/dbraw/zinc/63/06/79/434630679.db2.gz OCKZLXFKBMXTPB-UHFFFAOYSA-N 0 0 305.490 3.198 10 30 DGEERN C=CC[C@H](CC)NC(=O)Cc1ccc(Br)cc1O ZINC000410125165 434632197 /nfs/dbraw/zinc/63/21/97/434632197.db2.gz WNNUTCBJIXOFKD-LBPRGKRZSA-N 0 0 312.207 3.168 10 30 DGEERN N#Cc1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000439699874 434636175 /nfs/dbraw/zinc/63/61/75/434636175.db2.gz VVCPEJAMOQGNDD-UHFFFAOYSA-N 0 0 312.350 3.018 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000370071567 434607539 /nfs/dbraw/zinc/60/75/39/434607539.db2.gz HRFBEKCIHZGQHZ-KSSFIOAISA-N 0 0 300.402 3.182 10 30 DGEERN C=CCOc1ccc(CNc2ccc(COCCO)cc2)cc1 ZINC000424214261 434658241 /nfs/dbraw/zinc/65/82/41/434658241.db2.gz XFNRJYAGNNNCSM-UHFFFAOYSA-N 0 0 313.397 3.372 10 30 DGEERN C=CCC1(c2nc(-c3cccc(OC)c3)no2)CCOCC1 ZINC000424217753 434659226 /nfs/dbraw/zinc/65/92/26/434659226.db2.gz NVMSHRGVAVEPTQ-UHFFFAOYSA-N 0 0 300.358 3.370 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)C[C@H]1CCCO1 ZINC000424232379 434664760 /nfs/dbraw/zinc/66/47/60/434664760.db2.gz BYZSBGVQWILLHG-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439975310 434666683 /nfs/dbraw/zinc/66/66/83/434666683.db2.gz ZYSJRYMKZACOMS-ZDUSSCGKSA-N 0 0 301.390 3.290 10 30 DGEERN COc1cc(CNCc2nc3cc(C)ccc3[nH]2)ccc1C#N ZINC000440819663 434746326 /nfs/dbraw/zinc/74/63/26/434746326.db2.gz CXINGYZGBHBOCV-UHFFFAOYSA-N 0 0 306.369 3.041 10 30 DGEERN C=CCN(CC=C)C(=O)CNc1ccc(Cl)cc1COC ZINC000424579009 434747042 /nfs/dbraw/zinc/74/70/42/434747042.db2.gz TZPFDNGBFGVFHE-UHFFFAOYSA-N 0 0 308.809 3.099 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)nn1 ZINC000424578519 434748251 /nfs/dbraw/zinc/74/82/51/434748251.db2.gz BHYCEEHPCXFMHX-SECBINFHSA-N 0 0 310.810 3.060 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)nn1 ZINC000424589188 434751513 /nfs/dbraw/zinc/75/15/13/434751513.db2.gz WTTWILNIQQRTHF-SOUVJXGZSA-N 0 0 304.438 3.045 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000452908274 434753995 /nfs/dbraw/zinc/75/39/95/434753995.db2.gz WRGQSJYTYYIHPM-MAUKXSAKSA-N 0 0 317.429 3.432 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@H](C)CC(=O)c1ccc(OC)cc1 ZINC000452776615 434712407 /nfs/dbraw/zinc/71/24/07/434712407.db2.gz RPARPBNQXYBTHX-CYBMUJFWSA-N 0 0 303.402 3.233 10 30 DGEERN N#Cc1ccsc1NC(=O)c1ncsc1Br ZINC000360923089 434731183 /nfs/dbraw/zinc/73/11/83/434731183.db2.gz CZNZXXSAARMSFC-UHFFFAOYSA-N 0 0 314.189 3.091 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OCC)c(OC)c2)CCOCC1 ZINC000424543512 434737395 /nfs/dbraw/zinc/73/73/95/434737395.db2.gz MKMDBUFOMOXEAS-UHFFFAOYSA-N 0 0 319.401 3.405 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1csnn1 ZINC000411195863 434740996 /nfs/dbraw/zinc/74/09/96/434740996.db2.gz SZUQSFIPSIJWQF-NSHDSACASA-N 0 0 304.375 3.196 10 30 DGEERN C=CCC1(C(=O)NCCc2csc(C(C)C)n2)CCOCC1 ZINC000424643100 434767073 /nfs/dbraw/zinc/76/70/73/434767073.db2.gz LMENUFJMTACANP-UHFFFAOYSA-N 0 0 322.474 3.298 10 30 DGEERN C=CCC1(C(=O)N(C)CCc2ccc(F)cc2)CCOCC1 ZINC000424614190 434759333 /nfs/dbraw/zinc/75/93/33/434759333.db2.gz VWHABCFFWMJEQN-UHFFFAOYSA-N 0 0 305.393 3.200 10 30 DGEERN Cc1ccccc1OCCNC(=O)NCC1CCC(C#N)CC1 ZINC000440988595 434759460 /nfs/dbraw/zinc/75/94/60/434759460.db2.gz 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/nfs/dbraw/zinc/78/17/78/434781778.db2.gz RDONRIANCPLPSD-HNNXBMFYSA-N 0 0 303.402 3.052 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@@H](OCC)C2(CC)CC)CCOCC1 ZINC000424698770 434782673 /nfs/dbraw/zinc/78/26/73/434782673.db2.gz AZTKTLYWINTXIH-JKSUJKDBSA-N 0 0 323.477 3.459 10 30 DGEERN C=CCOc1ccccc1CN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000361115005 434802309 /nfs/dbraw/zinc/80/23/09/434802309.db2.gz VRTUWEORXOEDKS-VQIMIIECSA-N 0 0 317.429 3.021 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000372104470 434798448 /nfs/dbraw/zinc/79/84/48/434798448.db2.gz YJIGQPLFIPMAMD-CYBMUJFWSA-N 0 0 308.385 3.167 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)CCOCC1 ZINC000424805316 434807227 /nfs/dbraw/zinc/80/72/27/434807227.db2.gz BDWNCAJYOOZBKW-RYUDHWBXSA-N 0 0 305.340 3.159 10 30 DGEERN CC(C)c1nnc([C@@H]2CC23CCN(c2ccncc2C#N)CC3)o1 ZINC000372286752 434818470 /nfs/dbraw/zinc/81/84/70/434818470.db2.gz BXXSFYGCSTWCCD-AWEZNQCLSA-N 0 0 323.400 3.234 10 30 DGEERN 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DGEERN COC(=O)c1cc(F)cc(OC(F)(F)F)c1OC(F)(F)F ZINC000575710204 435049041 /nfs/dbraw/zinc/04/90/41/435049041.db2.gz JDZLSHJUNDDEBF-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000576001041 435053384 /nfs/dbraw/zinc/05/33/84/435053384.db2.gz SMRJVNPHNIJCSL-SOLBZPMBSA-N 0 0 324.465 3.101 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccccc1SC ZINC000576170116 435054260 /nfs/dbraw/zinc/05/42/60/435054260.db2.gz ABFADWFEURGYBG-UHFFFAOYSA-N 0 0 306.431 3.210 10 30 DGEERN Cc1cc(C(=O)NCC2CCC(C#N)CC2)nn1[C@@H](C)C1CC1 ZINC000558666643 435105161 /nfs/dbraw/zinc/10/51/61/435105161.db2.gz QRDUMLWXNBMAMQ-NFOMZHRRSA-N 0 0 314.433 3.222 10 30 DGEERN COc1cc(F)c(NC(=O)Cc2cccc(C#N)c2)cc1F ZINC000531828314 435121969 /nfs/dbraw/zinc/12/19/69/435121969.db2.gz AIUSNYTVAGZWSR-UHFFFAOYSA-N 0 0 302.280 3.026 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)c(CC)nc2ccccc21 ZINC000580064474 435201694 /nfs/dbraw/zinc/20/16/94/435201694.db2.gz GAPUHORTJQOVQU-KSSFIOAISA-N 0 0 324.424 3.427 10 30 DGEERN C=CCCCCCNC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000580446098 435235622 /nfs/dbraw/zinc/23/56/22/435235622.db2.gz CNJJURVXDPLSMW-UHFFFAOYSA-N 0 0 321.387 3.012 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000583970070 435260307 /nfs/dbraw/zinc/26/03/07/435260307.db2.gz JGYNNCITBIRDDI-QGZVFWFLSA-N 0 0 308.356 3.256 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000563355162 435265203 /nfs/dbraw/zinc/26/52/03/435265203.db2.gz HTZSDUHTMVIBPJ-UHFFFAOYSA-N 0 0 313.401 3.406 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000563172614 435266852 /nfs/dbraw/zinc/26/68/52/435266852.db2.gz IIGHRXHHMCDPNO-RDJZCZTQSA-N 0 0 323.440 3.383 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1nc(C2CCC2)cs1 ZINC000563382976 435266921 /nfs/dbraw/zinc/26/69/21/435266921.db2.gz NMOVSZBFDYLNQX-UHFFFAOYSA-N 0 0 321.446 3.212 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000477581972 435272940 /nfs/dbraw/zinc/27/29/40/435272940.db2.gz RWVFCWGHRGSEPQ-UHFFFAOYSA-N 0 0 310.463 3.120 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC000564730247 435273594 /nfs/dbraw/zinc/27/35/94/435273594.db2.gz OBNNNUDWCKCIFP-MEDUHNTESA-N 0 0 303.333 3.283 10 30 DGEERN N#CC[C@H](CC(=O)NCCOCC1CCC1)c1ccccc1 ZINC000565573719 435279350 /nfs/dbraw/zinc/27/93/50/435279350.db2.gz PUJLRZHRPYJISG-QGZVFWFLSA-N 0 0 300.402 3.007 10 30 DGEERN C=C(CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000477853040 435282275 /nfs/dbraw/zinc/28/22/75/435282275.db2.gz XMZGHTDHGVAAEV-CQSZACIVSA-N 0 0 324.380 3.489 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000565854520 435283666 /nfs/dbraw/zinc/28/36/66/435283666.db2.gz OERKVLOFBATTBQ-XYJFISCASA-N 0 0 300.446 3.368 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000566463508 435286300 /nfs/dbraw/zinc/28/63/00/435286300.db2.gz FTGMEOKSXXKGCN-GFCCVEGCSA-N 0 0 317.355 3.319 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(C(=O)OCC)cnc1C ZINC000566427956 435286628 /nfs/dbraw/zinc/28/66/28/435286628.db2.gz VFOLHBGQEGYYFE-UHFFFAOYSA-N 0 0 319.405 3.435 10 30 DGEERN C=C(C)CN(C)C(=O)c1cccc(OCc2cscn2)c1 ZINC000479221754 435325628 /nfs/dbraw/zinc/32/56/28/435325628.db2.gz UFPXBXUDRVRNFD-UHFFFAOYSA-N 0 0 302.399 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(-c2ncco2)c1 ZINC000567737389 435348222 /nfs/dbraw/zinc/34/82/22/435348222.db2.gz XSXHTQHDEYMPSH-ZFWWWQNUSA-N 0 0 313.357 3.054 10 30 DGEERN COc1cc(OC2CC2)ccc1C(=O)N[C@](C)(C#N)CC(C)C ZINC000479939190 435358258 /nfs/dbraw/zinc/35/82/58/435358258.db2.gz LJEHHAPTESYGQN-SFHVURJKSA-N 0 0 316.401 3.295 10 30 DGEERN C=CCCS(=O)(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000481014960 435404467 /nfs/dbraw/zinc/40/44/67/435404467.db2.gz HDJISJWEPZCKFM-INIZCTEOSA-N 0 0 313.438 3.231 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000568229842 435411178 /nfs/dbraw/zinc/41/11/78/435411178.db2.gz GAKZBODMSQHEGT-OAHLLOKOSA-N 0 0 316.449 3.467 10 30 DGEERN C=C[C@H](CC(=O)N1CCC[C@H]1C(=O)OC(C)C)c1ccccc1 ZINC000536208862 435374553 /nfs/dbraw/zinc/37/45/53/435374553.db2.gz KQTZLQNVXSSBAE-WBVHZDCISA-N 0 0 315.413 3.289 10 30 DGEERN C=CCCS(=O)(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000536328409 435378768 /nfs/dbraw/zinc/37/87/68/435378768.db2.gz GOSGMGVTDVDXDD-QGZVFWFLSA-N 0 0 307.459 3.380 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)[C@H](C)CCC ZINC000568800846 435472770 /nfs/dbraw/zinc/47/27/70/435472770.db2.gz IRGZOJGRLDVMJF-CQSZACIVSA-N 0 0 302.422 3.467 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000568880444 435480223 /nfs/dbraw/zinc/48/02/23/435480223.db2.gz KSGQHGAHBAJKRA-UHFFFAOYSA-N 0 0 318.417 3.195 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000568503756 435441722 /nfs/dbraw/zinc/44/17/22/435441722.db2.gz PJQRYKXBORSFNT-WHOFXGATSA-N 0 0 308.809 3.291 10 30 DGEERN C=CCN(C(=O)[C@H]1C[C@@H]1C(C)C)c1nc(C(=O)OCC)cs1 ZINC000483963826 435535152 /nfs/dbraw/zinc/53/51/52/435535152.db2.gz SJBSIHQZABOZEI-NEPJUHHUSA-N 0 0 322.430 3.131 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000568931406 435484936 /nfs/dbraw/zinc/48/49/36/435484936.db2.gz GNXXAARRUSKYFN-CYBMUJFWSA-N 0 0 314.389 3.038 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000538222611 435487212 /nfs/dbraw/zinc/48/72/12/435487212.db2.gz HNDGZPICVQXCQQ-AWEZNQCLSA-N 0 0 307.393 3.172 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCCC[C@H](C)C1 ZINC000516688120 435547348 /nfs/dbraw/zinc/54/73/48/435547348.db2.gz RFUHEPYVJXKXOO-HNNXBMFYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCCCCCNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000516781817 435552350 /nfs/dbraw/zinc/55/23/50/435552350.db2.gz WIHHAPAFMATWIA-HNNXBMFYSA-N 0 0 322.474 3.365 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Oc2ncccc2C)CC1 ZINC000569729027 435557481 /nfs/dbraw/zinc/55/74/81/435557481.db2.gz YMPRMICPPUTTHT-HNNXBMFYSA-N 0 0 302.418 3.362 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](CC)Oc1ccccc1C ZINC000485742772 435577514 /nfs/dbraw/zinc/57/75/14/435577514.db2.gz OXDRVOAUYZJQLW-LZLYRXPVSA-N 0 0 317.429 3.250 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC23CCCC3)cc1 ZINC000517212425 435581970 /nfs/dbraw/zinc/58/19/70/435581970.db2.gz SWABORLIUAZYPI-HNNXBMFYSA-N 0 0 313.401 3.057 10 30 DGEERN C=CCN(C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C)C1CC1 ZINC000540126807 435588168 /nfs/dbraw/zinc/58/81/68/435588168.db2.gz FQQCIPBKYJGRGK-PBFPGSCMSA-N 0 0 300.402 3.300 10 30 DGEERN COc1cc2c(cc1CN1CCC(C)(C#N)CC1)O[C@@H](C)C2 ZINC000540952551 435628832 /nfs/dbraw/zinc/62/88/32/435628832.db2.gz QWKRCVXDQIATJL-ZDUSSCGKSA-N 0 0 300.402 3.144 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H](C2CCCCC2)C1)OCC ZINC000541772216 435644939 /nfs/dbraw/zinc/64/49/39/435644939.db2.gz WFGPATDECYRUAN-DLBZAZTESA-N 0 0 309.450 3.165 10 30 DGEERN CO[C@H]1CCOc2c(NC(=O)Cc3cccc(C#N)c3)cccc21 ZINC000548072959 435666515 /nfs/dbraw/zinc/66/65/15/435666515.db2.gz DCBHAIYEUGMUIZ-KRWDZBQOSA-N 0 0 322.364 3.209 10 30 DGEERN N#Cc1cnccc1NCCCO[C@H]1CCCc2ccccc21 ZINC000548153759 435672739 /nfs/dbraw/zinc/67/27/39/435672739.db2.gz PHZCJQPUEZWEGP-IBGZPJMESA-N 0 0 307.397 3.271 10 30 DGEERN N#CCCN(C(=O)Cn1ncc2ccccc21)c1ccc(F)cc1 ZINC000571307602 435697163 /nfs/dbraw/zinc/69/71/63/435697163.db2.gz JJESCMXBKYFSTG-UHFFFAOYSA-N 0 0 322.343 3.122 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C(C)C ZINC000172504272 312749894 /nfs/dbraw/zinc/74/98/94/312749894.db2.gz UNCXSBZSGRAXDH-OAHLLOKOSA-N 0 0 317.433 3.008 10 30 DGEERN N#Cc1ccc2nc(N3CCC(c4ncc[nH]4)CC3)ccc2c1 ZINC000532829816 313580530 /nfs/dbraw/zinc/58/05/30/313580530.db2.gz ROPOCPLNBLAHLW-UHFFFAOYSA-N 0 0 303.369 3.214 10 30 DGEERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)Cc2cccc(C#N)c2)C1 ZINC000542583225 314086465 /nfs/dbraw/zinc/08/64/65/314086465.db2.gz YUZOMPTYPFZUAR-KBXCAEBGSA-N 0 0 305.381 3.105 10 30 DGEERN COc1ccc(NC(=O)Cc2cccc(C#N)c2)c2ncccc12 ZINC000545314994 314244276 /nfs/dbraw/zinc/24/42/76/314244276.db2.gz VJIIRBWZTOLJBA-UHFFFAOYSA-N 0 0 317.348 3.296 10 30 DGEERN CN(C(=O)Cc1cccc(C#N)c1)c1cccc2cccnc21 ZINC000547364913 314360506 /nfs/dbraw/zinc/36/05/06/314360506.db2.gz DEWJROKFCJJMOT-UHFFFAOYSA-N 0 0 301.349 3.312 10 30 DGEERN N#Cc1cnccc1N1CC[C@H](OCCCc2ccccc2)C1 ZINC000547826435 314399709 /nfs/dbraw/zinc/39/97/09/314399709.db2.gz AZYPXUIIUHFFGU-SFHVURJKSA-N 0 0 307.397 3.181 10 30 DGEERN N#Cc1cnccc1N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000548152623 314426566 /nfs/dbraw/zinc/42/65/66/314426566.db2.gz JPHRMIHPEBJISA-DZGCQCFKSA-N 0 0 314.186 3.106 10 30 DGEERN CC(=O)c1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000566460362 315348924 /nfs/dbraw/zinc/34/89/24/315348924.db2.gz ADVXSJZXKYSEHG-UHFFFAOYSA-N 0 0 318.376 3.109 10 30 DGEERN C[C@H](NC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000358069138 533704219 /nfs/dbraw/zinc/70/42/19/533704219.db2.gz DOYGUEJPMYXRGZ-SMDDNHRTSA-N 0 0 311.410 3.332 10 30 DGEERN C[C@H](NC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C1CC1 ZINC000358096868 533704670 /nfs/dbraw/zinc/70/46/70/533704670.db2.gz MLMSFUSHVNMECE-GZMMTYOYSA-N 0 0 319.817 3.472 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000179934583 323217646 /nfs/dbraw/zinc/21/76/46/323217646.db2.gz CYEAJJCHOKCVPP-OAHLLOKOSA-N 0 0 323.396 3.274 10 30 DGEERN Cc1c(NC(=O)[C@@H](C)Oc2ccccc2C#N)cccc1N(C)C ZINC000181920779 323274270 /nfs/dbraw/zinc/27/42/70/323274270.db2.gz FFGMOZGPNKPLSP-CQSZACIVSA-N 0 0 323.396 3.339 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1nccc(Br)c1C ZINC000583920034 331470650 /nfs/dbraw/zinc/47/06/50/331470650.db2.gz BAQRRQXQABIZGI-SNVBAGLBSA-N 0 0 313.195 3.072 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCCC2 ZINC000556666314 331724121 /nfs/dbraw/zinc/72/41/21/331724121.db2.gz ONDKRUAPXXEMOB-SJORKVTESA-N 0 0 300.402 3.421 10 30 DGEERN Cc1ccc(/C=C\CC(=O)NC2(C#N)CCSCC2)cc1 ZINC000255476726 331751645 /nfs/dbraw/zinc/75/16/45/331751645.db2.gz GACXPVYLLBZMIA-IHWYPQMZSA-N 0 0 300.427 3.304 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000580090462 332935000 /nfs/dbraw/zinc/93/50/00/332935000.db2.gz BOKUEOUPIVNMLZ-HNNXBMFYSA-N 0 0 318.417 3.137 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H](CO)CC2CCCC2)c1 ZINC000558746264 331941123 /nfs/dbraw/zinc/94/11/23/331941123.db2.gz MZBRONUOIRJKQB-INIZCTEOSA-N 0 0 318.417 3.314 10 30 DGEERN CC(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC000558906144 331956861 /nfs/dbraw/zinc/95/68/61/331956861.db2.gz QFDRYRXYWHMJGC-UHFFFAOYSA-N 0 0 323.444 3.265 10 30 DGEERN CCC1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089703103 332075364 /nfs/dbraw/zinc/07/53/64/332075364.db2.gz HALVFDKXSZCHBV-UHFFFAOYSA-N 0 0 300.402 3.216 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cccc3oc(=O)[nH]c32)c1 ZINC000518584580 332087875 /nfs/dbraw/zinc/08/78/75/332087875.db2.gz HEHXXPQMOOVIEO-UHFFFAOYSA-N 0 0 310.309 3.351 10 30 DGEERN C=C(C)CS(=O)(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000520951758 332129268 /nfs/dbraw/zinc/12/92/68/332129268.db2.gz QOIPYRAYJSGBKG-UHFFFAOYSA-N 0 0 322.455 3.114 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181458363 332195423 /nfs/dbraw/zinc/19/54/23/332195423.db2.gz IHJCRCXWEDDSAP-PBHICJAKSA-N 0 0 302.418 3.120 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)COC/C=C\c1ccccc1 ZINC000533875591 332229080 /nfs/dbraw/zinc/22/90/80/332229080.db2.gz HEIDHZMFWTYUIX-VOCYLRNQSA-N 0 0 300.402 3.161 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000292863489 335097161 /nfs/dbraw/zinc/09/71/61/335097161.db2.gz SEFDNZNXGVBEGA-ZDUSSCGKSA-N 0 0 308.447 3.433 10 30 DGEERN C=CCN(CCc1ccco1)Cc1cnnn1Cc1ccccc1 ZINC000292882654 335097408 /nfs/dbraw/zinc/09/74/08/335097408.db2.gz XWVWVDDLWSPFAO-UHFFFAOYSA-N 0 0 322.412 3.150 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)C[C@H]1C ZINC000562033223 332533969 /nfs/dbraw/zinc/53/39/69/332533969.db2.gz RVRDERCHQATIJL-QWHCGFSZSA-N 0 0 302.447 3.351 10 30 DGEERN C=CCCCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000562622973 332610099 /nfs/dbraw/zinc/61/00/99/332610099.db2.gz AXRBIUFPWBCTSI-OAHLLOKOSA-N 0 0 310.344 3.014 10 30 DGEERN N#CC1(NC(=O)c2csc(C(F)(F)F)n2)CCCCC1 ZINC000187920564 333153392 /nfs/dbraw/zinc/15/33/92/333153392.db2.gz LKGUNZRRNPZQSO-UHFFFAOYSA-N 0 0 303.309 3.118 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000538285396 333176131 /nfs/dbraw/zinc/17/61/31/333176131.db2.gz CUXZHNPJJKCCQZ-CYBMUJFWSA-N 0 0 317.389 3.407 10 30 DGEERN N#CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185720917 333212743 /nfs/dbraw/zinc/21/27/43/333212743.db2.gz BVYMLWXMYXGXLH-DGCLKSJQSA-N 0 0 313.184 3.101 10 30 DGEERN C[C@](C#N)(CCc1ccccc1)NC(=O)c1cn2ccnc2s1 ZINC000188594799 333378187 /nfs/dbraw/zinc/37/81/87/333378187.db2.gz GMHOBLIGABNXRS-QGZVFWFLSA-N 0 0 324.409 3.041 10 30 DGEERN C=CCn1c(S[C@@H](C(C)=O)C(C)C)nc2ccccc2c1=O ZINC000563113358 333391900 /nfs/dbraw/zinc/39/19/00/333391900.db2.gz KLTZYXJMBSDZCI-OAHLLOKOSA-N 0 0 316.426 3.288 10 30 DGEERN C=CCCc1ccccc1NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000337566522 333453053 /nfs/dbraw/zinc/45/30/53/333453053.db2.gz WVCMGGSCXDDCDU-UHFFFAOYSA-N 0 0 321.380 3.499 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000185731828 335147335 /nfs/dbraw/zinc/14/73/35/335147335.db2.gz HEDSRGHFQZJQEO-ZIAGYGMSSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OCC(=O)OCC)cc1 ZINC000185690813 335147495 /nfs/dbraw/zinc/14/74/95/335147495.db2.gz RAFXQFXDFBBRCY-UHFFFAOYSA-N 0 0 320.389 3.058 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000563370225 333597904 /nfs/dbraw/zinc/59/79/04/333597904.db2.gz XNQBYWSPNYCKIJ-UHFFFAOYSA-N 0 0 304.390 3.019 10 30 DGEERN C=C(C)CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000161186428 334072804 /nfs/dbraw/zinc/07/28/04/334072804.db2.gz KPVZSTZGANJHBO-UHFFFAOYSA-N 0 0 300.406 3.442 10 30 DGEERN C=CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000345148281 335301510 /nfs/dbraw/zinc/30/15/10/335301510.db2.gz VYFAXCYGMLFBJX-NEPJUHHUSA-N 0 0 322.430 3.275 10 30 DGEERN C=CCN(CC=C)c1nnc([C@H]2Cc3ccccc3O2)n1CC=C ZINC000520663928 336003396 /nfs/dbraw/zinc/00/33/96/336003396.db2.gz YLSYIUGNCGMESV-QGZVFWFLSA-N 0 0 322.412 3.319 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1ccc(Br)c(C)c1F ZINC000520682318 336015085 /nfs/dbraw/zinc/01/50/85/336015085.db2.gz PLSWYFIFAUXROE-VIFPVBQESA-N 0 0 313.170 3.319 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000445972946 338516493 /nfs/dbraw/zinc/51/64/93/338516493.db2.gz ZSSVUTXPNRSLCO-YRGRVCCFSA-N 0 0 307.356 3.405 10 30 DGEERN CC1CC(C#N)(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C1 ZINC000532318990 336239434 /nfs/dbraw/zinc/23/94/34/336239434.db2.gz OCMFESQCOMCPNG-UHFFFAOYSA-N 0 0 321.384 3.227 10 30 DGEERN N#CCc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000030788295 336275136 /nfs/dbraw/zinc/27/51/36/336275136.db2.gz YJFWZEDXHYAPLZ-UHFFFAOYSA-N 0 0 305.131 3.360 10 30 DGEERN C=C[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000526980099 336277820 /nfs/dbraw/zinc/27/78/20/336277820.db2.gz PMRXVYNJACGDPE-NVXWUHKLSA-N 0 0 323.392 3.303 10 30 DGEERN C=C[C@@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000526980100 336277836 /nfs/dbraw/zinc/27/78/36/336277836.db2.gz PMRXVYNJACGDPE-RDJZCZTQSA-N 0 0 323.392 3.303 10 30 DGEERN C=CCCCN(C)C(=O)[C@@](C)(O)CSc1cccc(F)c1 ZINC000353281375 336409909 /nfs/dbraw/zinc/40/99/09/336409909.db2.gz AQCIQRAUDCSPMY-INIZCTEOSA-N 0 0 311.422 3.093 10 30 DGEERN C=CCC1(C(=O)NCC[C@H]2COc3ccccc3O2)CCC1 ZINC000357743014 336596754 /nfs/dbraw/zinc/59/67/54/336596754.db2.gz WTFORHYLBKRVOU-AWEZNQCLSA-N 0 0 301.386 3.079 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000372085431 336921753 /nfs/dbraw/zinc/92/17/53/336921753.db2.gz IVLZVCQUMGUIOZ-MRXNPFEDSA-N 0 0 301.434 3.206 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000372573821 336934611 /nfs/dbraw/zinc/93/46/11/336934611.db2.gz SOMUCUVVUROSSJ-LJQANCHMSA-N 0 0 316.445 3.325 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1cc(N(C)c2ccccc2)ncn1 ZINC000582483022 337096882 /nfs/dbraw/zinc/09/68/82/337096882.db2.gz UPEURKFPALKLQB-HOCLYGCPSA-N 0 0 310.401 3.248 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000582674582 337119505 /nfs/dbraw/zinc/11/95/05/337119505.db2.gz UTEUDIXEBZAOLW-UHFFFAOYSA-N 0 0 323.458 3.345 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000185024992 337201368 /nfs/dbraw/zinc/20/13/68/337201368.db2.gz UIRBPKVGGUKBBT-OAHLLOKOSA-N 0 0 302.418 3.362 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000185060068 337201639 /nfs/dbraw/zinc/20/16/39/337201639.db2.gz PXZBWBQQCDVDBF-INIZCTEOSA-N 0 0 320.477 3.230 10 30 DGEERN N#CCC1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000397190815 337257172 /nfs/dbraw/zinc/25/71/72/337257172.db2.gz OKITZQCQRPCFKP-UHFFFAOYSA-N 0 0 313.220 3.276 10 30 DGEERN Cc1[nH]c2nccc(N3CCOCC3)c2c1-c1cccc(C#N)c1 ZINC000584598858 337370541 /nfs/dbraw/zinc/37/05/41/337370541.db2.gz OMYWIUVBLVCVOV-UHFFFAOYSA-N 0 0 318.380 3.247 10 30 DGEERN N#Cc1cccc(-c2c[nH]c3nccc(N4CCC[C@@H](O)C4)c23)c1 ZINC000584598768 337370592 /nfs/dbraw/zinc/37/05/92/337370592.db2.gz HXQZQGAYLZDSQO-OAHLLOKOSA-N 0 0 318.380 3.063 10 30 DGEERN N#Cc1ccc(F)c(-c2c[nH]c3nccc(N4CCOCC4)c23)c1 ZINC000584599459 337370711 /nfs/dbraw/zinc/37/07/11/337370711.db2.gz DIWFSJOVEQJDOI-UHFFFAOYSA-N 0 0 322.343 3.077 10 30 DGEERN COC(=O)c1cn(Cc2ccc(C#N)cc2)c2cccc(F)c12 ZINC000584618974 337373300 /nfs/dbraw/zinc/37/33/00/337373300.db2.gz MZFDQNSTIJNJMK-UHFFFAOYSA-N 0 0 308.312 3.487 10 30 DGEERN Cc1ccc(S(=O)(=O)[C@H](C#N)c2cccnc2Cl)cc1 ZINC000584633600 337377632 /nfs/dbraw/zinc/37/76/32/337377632.db2.gz VOGPHBMWTBQABR-CYBMUJFWSA-N 0 0 306.774 3.082 10 30 DGEERN CCC(=O)[C@]1(CC)CC(=O)Nc2c1c(C#N)cn2C(C)(C)C ZINC000584662293 337378375 /nfs/dbraw/zinc/37/83/75/337378375.db2.gz ULAROXARZDPDEZ-KRWDZBQOSA-N 0 0 301.390 3.084 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000572421085 337635526 /nfs/dbraw/zinc/63/55/26/337635526.db2.gz SPULKPQKXJLWNA-KRWDZBQOSA-N 0 0 303.402 3.331 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000527901783 337772874 /nfs/dbraw/zinc/77/28/74/337772874.db2.gz LUSFBRTWXHYLIH-LLVKDONJSA-N 0 0 315.339 3.204 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528275182 337799383 /nfs/dbraw/zinc/79/93/83/337799383.db2.gz ZJBJSMWFYPCDFM-HOCLYGCPSA-N 0 0 322.246 3.417 10 30 DGEERN CCc1ccccc1O[C@H](C(=O)N[C@H](C)C#N)c1ccccc1 ZINC000107233191 337827044 /nfs/dbraw/zinc/82/70/44/337827044.db2.gz HORQRCROVBZLKN-KDOFPFPSSA-N 0 0 308.381 3.397 10 30 DGEERN C=CCOc1ccc(CN(CCOC)CC(F)(F)F)cc1 ZINC000092645547 337906888 /nfs/dbraw/zinc/90/68/88/337906888.db2.gz FJCBVGASQLCDGO-UHFFFAOYSA-N 0 0 303.324 3.262 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000514947587 337974920 /nfs/dbraw/zinc/97/49/20/337974920.db2.gz DXMOAQSHMNGPGS-CQSZACIVSA-N 0 0 319.453 3.111 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000515028929 337977267 /nfs/dbraw/zinc/97/72/67/337977267.db2.gz JHVGODSERCSGBX-HZPDHXFCSA-N 0 0 309.369 3.063 10 30 DGEERN CC#CCCNC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000516350328 338010446 /nfs/dbraw/zinc/01/04/46/338010446.db2.gz IJXGOYCIFVXFJI-FQEVSTJZSA-N 0 0 318.420 3.320 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)CC ZINC000504385685 340146633 /nfs/dbraw/zinc/14/66/33/340146633.db2.gz XUROTHNAQCVVAN-UHFFFAOYSA-N 0 0 302.418 3.296 10 30 DGEERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)CCO1 ZINC000504394795 340146898 /nfs/dbraw/zinc/14/68/98/340146898.db2.gz GLHUKKYVKYKYHT-HOTGVXAUSA-N 0 0 321.465 3.305 10 30 DGEERN C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1cccc(F)c1F ZINC000504397719 340147028 /nfs/dbraw/zinc/14/70/28/340147028.db2.gz XLCCSRWSDRWAAK-LLVKDONJSA-N 0 0 307.344 3.361 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000505029901 340159379 /nfs/dbraw/zinc/15/93/79/340159379.db2.gz RGYXOGXRTYIPDV-UHFFFAOYSA-N 0 0 317.433 3.184 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000505045261 340159912 /nfs/dbraw/zinc/15/99/12/340159912.db2.gz HJKWTYDIUAAEFN-KOMQPUFPSA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)CCSc1nc2ccccc2c(=O)n1CCCOC ZINC000505443433 340168585 /nfs/dbraw/zinc/16/85/85/340168585.db2.gz IHJOARWDBIUTGE-UHFFFAOYSA-N 0 0 318.442 3.491 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000505803523 340178508 /nfs/dbraw/zinc/17/85/08/340178508.db2.gz WFVYSXKGXXUNJW-ZBFHGGJFSA-N 0 0 314.429 3.439 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC(C)=C[C@H](C)C2)cc1 ZINC000508414259 340243460 /nfs/dbraw/zinc/24/34/60/340243460.db2.gz SLKRSZLJBYNBBP-AWEZNQCLSA-N 0 0 300.402 3.359 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)CCC1CCOCC1 ZINC000508476475 340244473 /nfs/dbraw/zinc/24/44/73/340244473.db2.gz DSZCUSHFVCHHCE-UHFFFAOYSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C)C1 ZINC000508491018 340244812 /nfs/dbraw/zinc/24/48/12/340244812.db2.gz SEPUMCOOALUIRY-AWEZNQCLSA-N 0 0 321.428 3.469 10 30 DGEERN C=CCn1c(Cc2ccccc2F)nnc1N(C)CC1CC1 ZINC000508829531 340253797 /nfs/dbraw/zinc/25/37/97/340253797.db2.gz VBOOJKUNXMCAID-UHFFFAOYSA-N 0 0 300.381 3.040 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@](C)(CC)C1 ZINC000508892318 340255099 /nfs/dbraw/zinc/25/50/99/340255099.db2.gz CKHIQQKQTNXWGU-QGZVFWFLSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N(C)CC(F)(F)F ZINC000508956713 340256134 /nfs/dbraw/zinc/25/61/34/340256134.db2.gz SMWKRGHWBGRXID-UHFFFAOYSA-N 0 0 324.350 3.362 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@](C)(CC)C1 ZINC000509000295 340257618 /nfs/dbraw/zinc/25/76/18/340257618.db2.gz XYAKSAYIDRBARJ-SFHVURJKSA-N 0 0 311.433 3.461 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000509967768 340284186 /nfs/dbraw/zinc/28/41/86/340284186.db2.gz JTBYODVMIMDNRA-KRWDZBQOSA-N 0 0 319.420 3.372 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(CCC(C)C)cn1 ZINC000516626586 340360681 /nfs/dbraw/zinc/36/06/81/340360681.db2.gz LAEJRYJWPMNFOW-CABCVRRESA-N 0 0 303.406 3.135 10 30 DGEERN C=C(CNC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1)c1ccccc1 ZINC000512659671 340371532 /nfs/dbraw/zinc/37/15/32/340371532.db2.gz JDIROEWVTPCUJC-IAGOWNOFSA-N 0 0 316.445 3.138 10 30 DGEERN CSCc1cc(C(=O)N(CCC#N)CC2CC2)ccc1F ZINC000174187951 340383853 /nfs/dbraw/zinc/38/38/53/340383853.db2.gz AAEBXEGEYHYFKF-UHFFFAOYSA-N 0 0 306.406 3.455 10 30 DGEERN Cc1cc(CCC(=O)N[C@H](C#N)C2CC2)ccc1Br ZINC000176035305 340424607 /nfs/dbraw/zinc/42/46/07/340424607.db2.gz OGEISRSQHPIQTL-CQSZACIVSA-N 0 0 321.218 3.109 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)CSCC(=O)c1ccccc1 ZINC000521075267 340479823 /nfs/dbraw/zinc/47/98/23/340479823.db2.gz YOSQXFHOSFQHDR-QGZVFWFLSA-N 0 0 318.442 3.047 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)OC ZINC000186296124 340510678 /nfs/dbraw/zinc/51/06/78/340510678.db2.gz AEWMZNJUCUSREB-NVXWUHKLSA-N 0 0 317.429 3.045 10 30 DGEERN C(#Cc1ccccc1)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000191999585 340560772 /nfs/dbraw/zinc/56/07/72/340560772.db2.gz FNCAPXXMPKYSGD-UHFFFAOYSA-N 0 0 317.392 3.002 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@]1(C)Br ZINC000528525653 340723022 /nfs/dbraw/zinc/72/30/22/340723022.db2.gz VNBVLDIMXRDVDL-WFASDCNBSA-N 0 0 324.218 3.041 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529246485 340750101 /nfs/dbraw/zinc/75/01/01/340750101.db2.gz KYEPQSZKIKUWCI-UBDQQSCGSA-N 0 0 317.404 3.417 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000529247201 340750235 /nfs/dbraw/zinc/75/02/35/340750235.db2.gz SBQRGRUHUPNTQD-HZMBPMFUSA-N 0 0 313.319 3.474 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2nnnn2C(C)C)c1 ZINC000529648933 340766693 /nfs/dbraw/zinc/76/66/93/340766693.db2.gz FZSKXMUXOOMMOX-ZDUSSCGKSA-N 0 0 313.405 3.462 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529944557 340774637 /nfs/dbraw/zinc/77/46/37/340774637.db2.gz QKEDUTCLXGAART-QAPCUYQASA-N 0 0 305.393 3.247 10 30 DGEERN C=CCOCC(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000530038972 340778183 /nfs/dbraw/zinc/77/81/83/340778183.db2.gz CKTNQFSWWPFJFR-GOSISDBHSA-N 0 0 307.393 3.390 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)C1CCOCC1 ZINC000123832912 340795709 /nfs/dbraw/zinc/79/57/09/340795709.db2.gz NEFQULFHJPKRQF-INIZCTEOSA-N 0 0 301.430 3.306 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)o1 ZINC000062889141 340796542 /nfs/dbraw/zinc/79/65/42/340796542.db2.gz MTAZXXNZDXWIHB-UHFFFAOYSA-N 0 0 300.314 3.325 10 30 DGEERN C=CCNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000538091182 340808962 /nfs/dbraw/zinc/80/89/62/340808962.db2.gz MZAPKCQLFQQYPQ-UHFFFAOYSA-N 0 0 309.207 3.011 10 30 DGEERN C=C(C)COc1cc(CN2C[C@H](C)O[C@@H](C)C2)ccc1OC ZINC000126890632 340839321 /nfs/dbraw/zinc/83/93/21/340839321.db2.gz TZSPKMJOGGPXNR-GJZGRUSLSA-N 0 0 305.418 3.259 10 30 DGEERN C=CCCCCCN(C)C(=O)NCCCc1c(C)nn(C)c1C ZINC000540335758 340927417 /nfs/dbraw/zinc/92/74/17/340927417.db2.gz FCUXCYHIEOWDDH-UHFFFAOYSA-N 0 0 320.481 3.357 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000130082691 340997449 /nfs/dbraw/zinc/99/74/49/340997449.db2.gz VBNHKWKWTAVADF-INIZCTEOSA-N 0 0 306.381 3.095 10 30 DGEERN CC#CCCNC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 ZINC000542672500 341016771 /nfs/dbraw/zinc/01/67/71/341016771.db2.gz PYPNFNUSUYMSEG-UHFFFAOYSA-N 0 0 309.413 3.195 10 30 DGEERN CC1(C#N)CCN(C(=O)CCc2cc3ccccc3[nH]c2=O)CC1 ZINC000542816226 341021850 /nfs/dbraw/zinc/02/18/50/341021850.db2.gz XXXSXMDJOJFAMD-UHFFFAOYSA-N 0 0 323.396 3.025 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543675993 341053523 /nfs/dbraw/zinc/05/35/23/341053523.db2.gz LMAQAVRAGOGVQF-CVEARBPZSA-N 0 0 317.429 3.121 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132167565 341117637 /nfs/dbraw/zinc/11/76/37/341117637.db2.gz CWVUNZIHVQKXKA-CYBMUJFWSA-N 0 0 301.415 3.106 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2ccc(C)nc21 ZINC000564322715 341217966 /nfs/dbraw/zinc/21/79/66/341217966.db2.gz GCTAKIPQTGXGJI-HOCLYGCPSA-N 0 0 311.385 3.256 10 30 DGEERN C=CCOc1ccc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1 ZINC000134557051 341218282 /nfs/dbraw/zinc/21/82/82/341218282.db2.gz RWHKGGCABOFURM-QAPCUYQASA-N 0 0 317.429 3.313 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000134977437 341227733 /nfs/dbraw/zinc/22/77/33/341227733.db2.gz AUQURHORPWHAGL-FQEVSTJZSA-N 0 0 324.424 3.115 10 30 DGEERN C=CCCCN(C)C(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000135090249 341230728 /nfs/dbraw/zinc/23/07/28/341230728.db2.gz RSNQVMRJNYNMFY-UHFFFAOYSA-N 0 0 318.808 3.267 10 30 DGEERN Cc1cnc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(O)c1 ZINC000547978284 341241704 /nfs/dbraw/zinc/24/17/04/341241704.db2.gz YHERBKOOERRCTL-CVEARBPZSA-N 0 0 321.380 3.008 10 30 DGEERN Cc1cnc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(O)c1 ZINC000547978285 341241711 /nfs/dbraw/zinc/24/17/11/341241711.db2.gz YHERBKOOERRCTL-HOTGVXAUSA-N 0 0 321.380 3.008 10 30 DGEERN Cc1cc(S(C)(=O)=O)ccc1NCC#Cc1ccc(F)cc1 ZINC000135581903 341242417 /nfs/dbraw/zinc/24/24/17/341242417.db2.gz GJJMPQXNUNTFND-UHFFFAOYSA-N 0 0 317.385 3.001 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCc1nnc(C)s1 ZINC000548812073 341276666 /nfs/dbraw/zinc/27/66/66/341276666.db2.gz OIBYPYGGMRODFO-UHFFFAOYSA-N 0 0 302.403 3.287 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC000548851888 341278049 /nfs/dbraw/zinc/27/80/49/341278049.db2.gz IFUUTMCATYKBHN-ZIAGYGMSSA-N 0 0 308.495 3.383 10 30 DGEERN C=CCN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1 ZINC000549118663 341286392 /nfs/dbraw/zinc/28/63/92/341286392.db2.gz OSKXVGMKNHHURR-UHFFFAOYSA-N 0 0 305.385 3.011 10 30 DGEERN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC1CC1 ZINC000549290879 341290491 /nfs/dbraw/zinc/29/04/91/341290491.db2.gz DUJPDGFCZIJHFD-UHFFFAOYSA-N 0 0 314.408 3.430 10 30 DGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000081521966 341294870 /nfs/dbraw/zinc/29/48/70/341294870.db2.gz AWSYCHCPNBQNRY-LBPRGKRZSA-N 0 0 324.409 3.401 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000081613314 341299271 /nfs/dbraw/zinc/29/92/71/341299271.db2.gz RUPFBLGSEBVOLM-PBHICJAKSA-N 0 0 318.417 3.314 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC000549657068 341300021 /nfs/dbraw/zinc/30/00/21/341300021.db2.gz VWSAUPSLBKBAMX-HZPDHXFCSA-N 0 0 320.481 3.304 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081695166 341302436 /nfs/dbraw/zinc/30/24/36/341302436.db2.gz KYCRSYORMRDHAH-LBPRGKRZSA-N 0 0 324.384 3.236 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000551837772 341353444 /nfs/dbraw/zinc/35/34/44/341353444.db2.gz NDDSLMPUEDAWSW-INIZCTEOSA-N 0 0 311.381 3.272 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(C)Cc1cccc(OC)c1 ZINC000555262994 341478798 /nfs/dbraw/zinc/47/87/98/341478798.db2.gz AEKKJSLDUKLJFP-UHFFFAOYSA-N 0 0 300.406 3.062 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N(C)[C@H](C)CC#N ZINC000567854986 341637070 /nfs/dbraw/zinc/63/70/70/341637070.db2.gz BICGGOIPVRCUEW-LLVKDONJSA-N 0 0 316.434 3.025 10 30 DGEERN C=CCOc1ccccc1CN1CCN(c2ccccc2O)CC1 ZINC000158535931 341658900 /nfs/dbraw/zinc/65/89/00/341658900.db2.gz RHZUFFLOEPMCHQ-UHFFFAOYSA-N 0 0 324.424 3.279 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000569076373 341690045 /nfs/dbraw/zinc/69/00/45/341690045.db2.gz SXYIRKJRBSKOOC-CJNGLKHVSA-N 0 0 302.349 3.079 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000573201579 341720874 /nfs/dbraw/zinc/72/08/74/341720874.db2.gz APNPPNLBRASANO-DFBGVHRSSA-N 0 0 308.809 3.434 10 30 DGEERN C=C(C)Cn1c(C2CCCC2)nnc1N(C)Cc1cc(C)on1 ZINC000573581767 341732602 /nfs/dbraw/zinc/73/26/02/341732602.db2.gz RIMHIWQDYYAERK-UHFFFAOYSA-N 0 0 315.421 3.445 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000174221278 341824959 /nfs/dbraw/zinc/82/49/59/341824959.db2.gz QWJGNIIXRUINHS-UONOGXRCSA-N 0 0 320.408 3.074 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000174223693 341825133 /nfs/dbraw/zinc/82/51/33/341825133.db2.gz URKNMXNMWDQSQN-KBPBESRZSA-N 0 0 322.424 3.298 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000576586118 341853744 /nfs/dbraw/zinc/85/37/44/341853744.db2.gz NGEMSVBWLMNCLN-KGLIPLIRSA-N 0 0 309.450 3.415 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1sc(CCC)nc1C ZINC000577368821 341906201 /nfs/dbraw/zinc/90/62/01/341906201.db2.gz XBLGYZMEYXTMRV-RYUDHWBXSA-N 0 0 309.435 3.117 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1 ZINC000627733818 500579956 /nfs/dbraw/zinc/57/99/56/500579956.db2.gz DUTTWTJUCCHJPC-CQSZACIVSA-N 0 0 323.396 3.045 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC#N ZINC000273032870 533927059 /nfs/dbraw/zinc/92/70/59/533927059.db2.gz NCOASBXQTXNSEQ-SECBINFHSA-N 0 0 301.173 3.181 10 30 DGEERN Cc1cc2c(cc1NC(=O)C1(c3ccc(C#N)cc3)CC1)OCO2 ZINC000189050612 534063037 /nfs/dbraw/zinc/06/30/37/534063037.db2.gz KEBNUOONASEXTE-UHFFFAOYSA-N 0 0 320.348 3.266 10 30 DGEERN C=CCn1c(N(CCC)CC2CC2)nnc1[C@]1(C)CCCO1 ZINC000453431597 534442050 /nfs/dbraw/zinc/44/20/50/534442050.db2.gz ACBBOVANVQTISC-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CC(C)(C)CNC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000454877752 534509881 /nfs/dbraw/zinc/50/98/81/534509881.db2.gz VMDGRAXQGRFOCD-UHFFFAOYSA-N 0 0 315.461 3.414 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCc2cccc(OC)c2CC1 ZINC000458811084 534547141 /nfs/dbraw/zinc/54/71/41/534547141.db2.gz OFJJZNNYIZHNRV-UHFFFAOYSA-N 0 0 316.445 3.408 10 30 DGEERN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C)C2)sc1C ZINC000328984211 534556592 /nfs/dbraw/zinc/55/65/92/534556592.db2.gz ZESGFDWMPXJNTC-MRVWCRGKSA-N 0 0 323.462 3.031 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000455417041 534565784 /nfs/dbraw/zinc/56/57/84/534565784.db2.gz IOQYMDBJHWILLP-XQHKEYJVSA-N 0 0 320.355 3.092 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000455420296 534566707 /nfs/dbraw/zinc/56/67/07/534566707.db2.gz LMVRGUMMQAIKPC-CVEARBPZSA-N 0 0 316.401 3.202 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000456254051 534570380 /nfs/dbraw/zinc/57/03/80/534570380.db2.gz AQEOUTJZULKYTR-WBVHZDCISA-N 0 0 314.360 3.080 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2COc3ccccc3O2)CCCC1 ZINC000449087387 534589323 /nfs/dbraw/zinc/58/93/23/534589323.db2.gz FNUOUUFSYLJLFZ-AWEZNQCLSA-N 0 0 301.386 3.079 10 30 DGEERN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000451610029 534610840 /nfs/dbraw/zinc/61/08/40/534610840.db2.gz RIJULENCDCKMID-HONMWMINSA-N 0 0 319.405 3.338 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000448668886 534673959 /nfs/dbraw/zinc/67/39/59/534673959.db2.gz QEOBOKIVANRPIV-UHFFFAOYSA-N 0 0 307.397 3.353 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000448728063 534674924 /nfs/dbraw/zinc/67/49/24/534674924.db2.gz CCYCWFQFNZIYCX-UHFFFAOYSA-N 0 0 323.371 3.355 10 30 DGEERN C=CCCCN(C)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000455522569 534701376 /nfs/dbraw/zinc/70/13/76/534701376.db2.gz KLGSBGVHNPQUQF-UHFFFAOYSA-N 0 0 316.380 3.119 10 30 DGEERN CC#CCCNC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000482847420 534702215 /nfs/dbraw/zinc/70/22/15/534702215.db2.gz VOMLTBZEGRISLQ-UHFFFAOYSA-N 0 0 322.408 3.478 10 30 DGEERN COc1ccc(C#N)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000156875336 523528182 /nfs/dbraw/zinc/52/81/82/523528182.db2.gz HMVUOUBDXKIIND-KRWDZBQOSA-N 0 0 314.410 3.202 10 30 DGEERN C=CCCCNC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000454904304 534726733 /nfs/dbraw/zinc/72/67/33/534726733.db2.gz XWTCPRMJCDZOEM-HNNXBMFYSA-N 0 0 308.809 3.469 10 30 DGEERN C=CCCCNC(=O)NC[C@@H](COC)c1ccc(Cl)cc1 ZINC000454868035 534727072 /nfs/dbraw/zinc/72/70/72/534727072.db2.gz DOCOEXYFAJRPIZ-AWEZNQCLSA-N 0 0 310.825 3.335 10 30 DGEERN C=CCCCS(=O)(=O)N(CCC)[C@H]1CCCc2cccnc21 ZINC000489638220 534738820 /nfs/dbraw/zinc/73/88/20/534738820.db2.gz KJYIHKKWGPUNPI-INIZCTEOSA-N 0 0 322.474 3.467 10 30 DGEERN C=CCCOCCNc1cc(N2CCc3ccccc32)ncn1 ZINC000488091211 534780500 /nfs/dbraw/zinc/78/05/00/534780500.db2.gz RYWMLONYVNGQNG-UHFFFAOYSA-N 0 0 310.401 3.175 10 30 DGEERN C=CCC[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)OCC ZINC000456626191 534805396 /nfs/dbraw/zinc/80/53/96/534805396.db2.gz LBRHCKFDZIAHTC-MOEXGYKKSA-N 0 0 319.376 3.243 10 30 DGEERN N#Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000436000064 534823631 /nfs/dbraw/zinc/82/36/31/534823631.db2.gz KLZLJXIDBHPSKZ-UHFFFAOYSA-N 0 0 315.760 3.404 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000450274200 534881663 /nfs/dbraw/zinc/88/16/63/534881663.db2.gz GFHOBGLKGGGXPV-FQEVSTJZSA-N 0 0 322.408 3.456 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000189659810 526289790 /nfs/dbraw/zinc/28/97/90/526289790.db2.gz BBPACCBQQXEYJQ-RHSMWYFYSA-N 0 0 302.418 3.469 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000192198615 526291242 /nfs/dbraw/zinc/29/12/42/526291242.db2.gz JSJISPZBMIMKKZ-UHFFFAOYSA-N 0 0 310.369 3.279 10 30 DGEERN CC#CCCCC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000185669268 526293940 /nfs/dbraw/zinc/29/39/40/526293940.db2.gz WQMFSQOSWZUAIJ-RHSMWYFYSA-N 0 0 303.377 3.308 10 30 DGEERN C=CCN(Cc1ccc(C(=O)OC)cn1)Cc1ccccc1F ZINC000351845266 526333878 /nfs/dbraw/zinc/33/38/78/526333878.db2.gz RKPAHFNNSQNVOD-UHFFFAOYSA-N 0 0 314.360 3.196 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)Cc1nc(N(C)C)no1 ZINC000192690281 526336193 /nfs/dbraw/zinc/33/61/93/526336193.db2.gz HJXLNEKBAVSGNV-UHFFFAOYSA-N 0 0 312.826 3.039 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](OC)[C@H](C)CC ZINC000355274263 526348527 /nfs/dbraw/zinc/34/85/27/526348527.db2.gz JPCBBNAYUNSELI-CJNGLKHVSA-N 0 0 320.389 3.171 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](OC)[C@H](C)CC ZINC000355274268 526349279 /nfs/dbraw/zinc/34/92/79/526349279.db2.gz JPCBBNAYUNSELI-CZUORRHYSA-N 0 0 320.389 3.171 10 30 DGEERN CC#CCN(C)C(=O)Nc1cc(F)cc(Br)c1F ZINC000298511951 526350468 /nfs/dbraw/zinc/35/04/68/526350468.db2.gz SIAABIZDAMRBQO-UHFFFAOYSA-N 0 0 317.133 3.214 10 30 DGEERN CC#CCN(C)C(=O)c1c[nH]c2cccc(Br)c21 ZINC000341053752 526353833 /nfs/dbraw/zinc/35/38/33/526353833.db2.gz UKAFXVUDUSVDOC-UHFFFAOYSA-N 0 0 305.175 3.026 10 30 DGEERN C=CCN(Cc1noc(CCC)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287240 526382327 /nfs/dbraw/zinc/38/23/27/526382327.db2.gz WOCODMXCQQSDRS-UHFFFAOYSA-N 0 0 316.361 3.119 10 30 DGEERN C=C(C)C(C)(C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000424623308 526433989 /nfs/dbraw/zinc/43/39/89/526433989.db2.gz ZFJKISHLBCKNMZ-MRXNPFEDSA-N 0 0 317.429 3.127 10 30 DGEERN C=C(C)CCSCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000375643366 526459657 /nfs/dbraw/zinc/45/96/57/526459657.db2.gz 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C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000350838301 527157508 /nfs/dbraw/zinc/15/75/08/527157508.db2.gz YHIUOJQEKFGKQF-RYQLBKOJSA-N 0 0 324.428 3.382 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)NC2(C#N)CCCC2)c1C(C)C ZINC000127978737 527164819 /nfs/dbraw/zinc/16/48/19/527164819.db2.gz FRKYODBFVBFTSW-UHFFFAOYSA-N 0 0 301.390 3.215 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ncccc1CSC ZINC000292332733 527173788 /nfs/dbraw/zinc/17/37/88/527173788.db2.gz OJPAHFFXTABQSC-QGZVFWFLSA-N 0 0 324.449 3.309 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000347401387 527188296 /nfs/dbraw/zinc/18/82/96/527188296.db2.gz DAFRLBDYFUZDBX-UHFFFAOYSA-N 0 0 320.389 3.058 10 30 DGEERN C=CCCCN(C)C(=O)c1c(OC)ccc(SC)c1OC ZINC000342886149 527189485 /nfs/dbraw/zinc/18/94/85/527189485.db2.gz VZMSHOHBYMJBQJ-UHFFFAOYSA-N 0 0 309.431 3.464 10 30 DGEERN C=CC[C@H](CO)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000185917282 527191625 /nfs/dbraw/zinc/19/16/25/527191625.db2.gz GJDBKWSBSSGPNY-BMGYJQCNSA-N 0 0 313.319 3.162 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000337043367 527193395 /nfs/dbraw/zinc/19/33/95/527193395.db2.gz CTXULWJUXNIQSJ-SNVBAGLBSA-N 0 0 314.212 3.078 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000183733851 527198317 /nfs/dbraw/zinc/19/83/17/527198317.db2.gz DOXZXQFSEDIWAL-DOMZBBRYSA-N 0 0 312.360 3.042 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000183658722 527202773 /nfs/dbraw/zinc/20/27/73/527202773.db2.gz JXJDWYLKHUTDHY-CQSZACIVSA-N 0 0 304.390 3.067 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000185814174 527205496 /nfs/dbraw/zinc/20/54/96/527205496.db2.gz LDNXVRVLUZLXMG-RAIGVLPGSA-N 0 0 314.212 3.150 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000337067193 527206865 /nfs/dbraw/zinc/20/68/65/527206865.db2.gz KOBAPZSCWQYLTH-MRVPVSSYSA-N 0 0 313.184 3.142 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000412848861 527220398 /nfs/dbraw/zinc/22/03/98/527220398.db2.gz ZIWPYHGCRHTHDK-HZPDHXFCSA-N 0 0 309.413 3.133 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000433784380 527222650 /nfs/dbraw/zinc/22/26/50/527222650.db2.gz CYONAORCGZNJPM-UHFFFAOYSA-N 0 0 302.353 3.314 10 30 DGEERN C=CC[C@H]1N(C(=O)COCc2cc(C)no2)CCCC1(C)C ZINC000338034673 527223714 /nfs/dbraw/zinc/22/37/14/527223714.db2.gz HBKRDIPIXNSTJD-OAHLLOKOSA-N 0 0 306.406 3.093 10 30 DGEERN CC(=O)c1ccc(C#N)c(N[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000302085501 527227549 /nfs/dbraw/zinc/22/75/49/527227549.db2.gz DSEJMNIFSRNRPN-LLVKDONJSA-N 0 0 310.401 3.154 10 30 DGEERN CC(=O)c1ccc(C#N)cc1NCCCc1nc(C(C)C)no1 ZINC000302114980 527230644 /nfs/dbraw/zinc/23/06/44/527230644.db2.gz RCRIYNIYNRHFKP-UHFFFAOYSA-N 0 0 312.373 3.312 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1nsc(N(C)C)n1 ZINC000438301165 527234844 /nfs/dbraw/zinc/23/48/44/527234844.db2.gz JMMFPFYLKJHCJY-UHFFFAOYSA-N 0 0 319.430 3.229 10 30 DGEERN C=CCc1cc(CNC(=O)CCCSC)cc(OC)c1OC ZINC000346021889 527238970 /nfs/dbraw/zinc/23/89/70/527238970.db2.gz XLYQOALOVCGLRB-UHFFFAOYSA-N 0 0 323.458 3.192 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@H]2CC23CCCC3)c(OC)c1 ZINC000430249865 527252897 /nfs/dbraw/zinc/25/28/97/527252897.db2.gz QWTVJUKLODGVTQ-KRWDZBQOSA-N 0 0 315.413 3.251 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)C(C)C ZINC000356215221 527257232 /nfs/dbraw/zinc/25/72/32/527257232.db2.gz LWAWGXHJKIKTQQ-UHFFFAOYSA-N 0 0 323.458 3.300 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C2CC2)cc1 ZINC000352325015 527257391 /nfs/dbraw/zinc/25/73/91/527257391.db2.gz LOLDTHIVIAMHCC-CQSZACIVSA-N 0 0 314.429 3.041 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000355586145 527259559 /nfs/dbraw/zinc/25/95/59/527259559.db2.gz SKLOHDDLZNQADC-CZUORRHYSA-N 0 0 302.418 3.383 10 30 DGEERN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccco1 ZINC000351119171 527274793 /nfs/dbraw/zinc/27/47/93/527274793.db2.gz TYXZZCWPYMYXMS-HNNXBMFYSA-N 0 0 321.384 3.461 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1scnc1C ZINC000337836740 527278819 /nfs/dbraw/zinc/27/88/19/527278819.db2.gz CNGMPEDLCQIXFU-UHFFFAOYSA-N 0 0 315.402 3.125 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCCC[C@H](SC)C1 ZINC000351158883 527280323 /nfs/dbraw/zinc/28/03/23/527280323.db2.gz CVQONWZJUSBPIC-AWEZNQCLSA-N 0 0 318.446 3.446 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000290568113 527300434 /nfs/dbraw/zinc/30/04/34/527300434.db2.gz ZSQOQAFJHBZWNX-LRDDRELGSA-N 0 0 300.381 3.499 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(C)CCc1ccc(F)cc1 ZINC000337824481 527304259 /nfs/dbraw/zinc/30/42/59/527304259.db2.gz UUXHBJNMFRTNQU-UHFFFAOYSA-N 0 0 300.381 3.160 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCC2(CCOCC2)[C@@H]1C ZINC000350623107 527308237 /nfs/dbraw/zinc/30/82/37/527308237.db2.gz KPZHUXAOIAXSPH-AWEZNQCLSA-N 0 0 316.449 3.127 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000351117092 527310071 /nfs/dbraw/zinc/31/00/71/527310071.db2.gz PECXUGSGAHTKMW-ZDUSSCGKSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000337835927 527313620 /nfs/dbraw/zinc/31/36/20/527313620.db2.gz CBJBPEOZBYKRAL-RDTXWAMCSA-N 0 0 300.450 3.433 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N1CCS[C@@H](C)C1 ZINC000337830626 527315112 /nfs/dbraw/zinc/31/51/12/527315112.db2.gz YWOFHSUSACLEBN-ZDUSSCGKSA-N 0 0 306.479 3.139 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)[C@H](C)C1CC1 ZINC000350742489 527319758 /nfs/dbraw/zinc/31/97/58/527319758.db2.gz WZFFVARLVQUFNK-CYBMUJFWSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000337810044 527319901 /nfs/dbraw/zinc/31/99/01/527319901.db2.gz KOJDHAZCTMNGTN-HUUCEWRRSA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1Cc2ccccc2C1 ZINC000351073617 527321407 /nfs/dbraw/zinc/32/14/07/527321407.db2.gz KAJPHRGTOMRMBY-UHFFFAOYSA-N 0 0 320.396 3.363 10 30 DGEERN C=CCn1c(N2CC[C@@H](C)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000424133801 527330685 /nfs/dbraw/zinc/33/06/85/527330685.db2.gz HCWLKOROHDHWKE-CKEIUWERSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCCOCCCCC(=O)N1CCOC[C@H]1CC1CCC1 ZINC000341336826 527331398 /nfs/dbraw/zinc/33/13/98/527331398.db2.gz ITWYELUULFZQID-QGZVFWFLSA-N 0 0 309.450 3.167 10 30 DGEERN C=CCn1c(=O)[nH]nc1SC[C@@H]1CCc2ccccc2C1 ZINC000354515292 527331306 /nfs/dbraw/zinc/33/13/06/527331306.db2.gz XTUPIOZSMIBWSB-GFCCVEGCSA-N 0 0 301.415 3.067 10 30 DGEERN C=CCn1c(SCC[C@H](C)O)nc2sc(C)c(C)c2c1=O ZINC000439278002 527339855 /nfs/dbraw/zinc/33/98/55/527339855.db2.gz WBRIZEHOASBAJM-VIFPVBQESA-N 0 0 324.471 3.124 10 30 DGEERN C=CCCOCCNC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000339772793 527356368 /nfs/dbraw/zinc/35/63/68/527356368.db2.gz TYBRZXLNNPAIKF-UHFFFAOYSA-N 0 0 315.417 3.177 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000347838304 527374495 /nfs/dbraw/zinc/37/44/95/527374495.db2.gz ZUWMBFDIAOJHKU-YOEHRIQHSA-N 0 0 305.393 3.340 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159560346 527381922 /nfs/dbraw/zinc/38/19/22/527381922.db2.gz AMVAGRVYUQQQPS-GJZGRUSLSA-N 0 0 313.401 3.031 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000341229680 527385064 /nfs/dbraw/zinc/38/50/64/527385064.db2.gz QEKZYYFROQVRIB-LBPRGKRZSA-N 0 0 300.358 3.163 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155767471 527408194 /nfs/dbraw/zinc/40/81/94/527408194.db2.gz BTAQBRJVNUXTTP-HQJQHLMTSA-N 0 0 308.250 3.442 10 30 DGEERN C=CCCS(=O)(=O)N[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000435123470 527419536 /nfs/dbraw/zinc/41/95/36/527419536.db2.gz HBLNBPQBVXSRFZ-DLBZAZTESA-N 0 0 323.458 3.181 10 30 DGEERN C=CCC[C@@H](C(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000337025044 527424187 /nfs/dbraw/zinc/42/41/87/527424187.db2.gz BZOIAODWSHQSLH-ZIAGYGMSSA-N 0 0 315.335 3.166 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000296882459 527435963 /nfs/dbraw/zinc/43/59/63/527435963.db2.gz NGMLGQWGOXFHOH-SFHVURJKSA-N 0 0 319.408 3.356 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000134564402 527456068 /nfs/dbraw/zinc/45/60/68/527456068.db2.gz HVPMYZNIPYLXIC-HNNXBMFYSA-N 0 0 312.394 3.335 10 30 DGEERN C=CCC[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)c1ccccc1 ZINC000159504255 527478118 /nfs/dbraw/zinc/47/81/18/527478118.db2.gz OOIILDDMUJUDBW-KHJUTWJGSA-N 0 0 322.474 3.150 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000410878378 527482853 /nfs/dbraw/zinc/48/28/53/527482853.db2.gz FXCDYADTASVELK-NDBYEHHHSA-N 0 0 305.340 3.157 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000425668735 527495147 /nfs/dbraw/zinc/49/51/47/527495147.db2.gz MVOLMDXCRZUNHL-KWQFWETISA-N 0 0 316.188 3.101 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000424932564 527496578 /nfs/dbraw/zinc/49/65/78/527496578.db2.gz NNCRVYDYTXNPHJ-XEZPLFJOSA-N 0 0 323.820 3.123 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000352568891 527526012 /nfs/dbraw/zinc/52/60/12/527526012.db2.gz HPLNNJMDWKUIIH-IBGZPJMESA-N 0 0 319.445 3.499 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCCc1ccc2ccccc2n1 ZINC000437825835 527530577 /nfs/dbraw/zinc/53/05/77/527530577.db2.gz XYQQWPXODPOJFU-IBGZPJMESA-N 0 0 312.413 3.122 10 30 DGEERN C=CCN(C(=O)C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000180144782 527533646 /nfs/dbraw/zinc/53/36/46/527533646.db2.gz BAVNFEBZIGPYNO-UHFFFAOYSA-N 0 0 301.386 3.185 10 30 DGEERN C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1)c1ccccc1 ZINC000351771549 527536444 /nfs/dbraw/zinc/53/64/44/527536444.db2.gz UXHORDISDLPTEE-LJQANCHMSA-N 0 0 322.408 3.473 10 30 DGEERN C=CCN(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000157946725 527564134 /nfs/dbraw/zinc/56/41/34/527564134.db2.gz IOXVNVVORWTHHW-NSHDSACASA-N 0 0 308.250 3.396 10 30 DGEERN C=CCN(C)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000430313219 527564992 /nfs/dbraw/zinc/56/49/92/527564992.db2.gz SMGAPQBXFQUGMG-HNNXBMFYSA-N 0 0 302.422 3.203 10 30 DGEERN C=C[C@H](CC(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000135355933 527572742 /nfs/dbraw/zinc/57/27/42/527572742.db2.gz ZKCSFNQHUZBFCI-MRXNPFEDSA-N 0 0 323.440 3.486 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000299287853 527587027 /nfs/dbraw/zinc/58/70/27/527587027.db2.gz GQQJODWTSKCEQB-SNVBAGLBSA-N 0 0 305.271 3.170 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000078547365 527587234 /nfs/dbraw/zinc/58/72/34/527587234.db2.gz VWMRUEPYAXESAI-UONOGXRCSA-N 0 0 313.319 3.376 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Oc1ccccc1F ZINC000342004064 527587349 /nfs/dbraw/zinc/58/73/49/527587349.db2.gz DKZNFVUXGUPOGR-JTQLQIEISA-N 0 0 305.271 3.170 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000078547360 527588660 /nfs/dbraw/zinc/58/86/60/527588660.db2.gz VWMRUEPYAXESAI-KGLIPLIRSA-N 0 0 313.319 3.376 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)Nc1nccc(N(C)C)n1 ZINC000432366111 527597020 /nfs/dbraw/zinc/59/70/20/527597020.db2.gz BPJYUOYJVRZEEY-UHFFFAOYSA-N 0 0 317.437 3.143 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(CCC)CCc1ccccn1 ZINC000286968563 527614246 /nfs/dbraw/zinc/61/42/46/527614246.db2.gz NMHMZPGBQRUPEG-GOSISDBHSA-N 0 0 304.434 3.092 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCCc1ccc2ccccc2n1 ZINC000437825836 527619691 /nfs/dbraw/zinc/61/96/91/527619691.db2.gz XYQQWPXODPOJFU-LJQANCHMSA-N 0 0 312.413 3.122 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(CC2CCC(OC)CC2)no1 ZINC000346948525 527623029 /nfs/dbraw/zinc/62/30/29/527623029.db2.gz VBVWTMPYAXRKIC-MQBCKMQZSA-N 0 0 308.422 3.298 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000433213806 527625245 /nfs/dbraw/zinc/62/52/45/527625245.db2.gz GOMHXPBRQXOWKD-UHFFFAOYSA-N 0 0 316.405 3.058 10 30 DGEERN C=C[C@](C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000343716412 527633583 /nfs/dbraw/zinc/63/35/83/527633583.db2.gz PEWLWVJLCHQXGW-IBGZPJMESA-N 0 0 313.372 3.436 10 30 DGEERN C=CCN(CCC#N)C(=O)COc1ccc(/C=C\C)cc1OC ZINC000359436929 527654147 /nfs/dbraw/zinc/65/41/47/527654147.db2.gz HVPGRONRSCXRAY-DAXSKMNVSA-N 0 0 314.385 3.035 10 30 DGEERN C=CCN(CCC#N)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000359430876 527656170 /nfs/dbraw/zinc/65/61/70/527656170.db2.gz VPJBOVBRMHGXEC-UHFFFAOYSA-N 0 0 302.422 3.303 10 30 DGEERN CCCN(CC)c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436018977 528013234 /nfs/dbraw/zinc/01/32/34/528013234.db2.gz UYVRNZQPXVZUKQ-UHFFFAOYSA-N 0 0 308.385 3.442 10 30 DGEERN CCCCCCCC(=O)N1CCC(c2nncn2CC)CC1 ZINC000170795730 528117884 /nfs/dbraw/zinc/11/78/84/528117884.db2.gz NNYRGGMKDATIBC-UHFFFAOYSA-N 0 0 306.454 3.365 10 30 DGEERN CCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130427305 528118437 /nfs/dbraw/zinc/11/84/37/528118437.db2.gz RYUBQXYUWWOUFJ-DOTOQJQBSA-N 0 0 320.477 3.349 10 30 DGEERN CCCCCCCCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127475055 528120593 /nfs/dbraw/zinc/12/05/93/528120593.db2.gz ADMRBMYMOXGDEM-INIZCTEOSA-N 0 0 306.454 3.267 10 30 DGEERN CCCNC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161678906 528468922 /nfs/dbraw/zinc/46/89/22/528468922.db2.gz AKLXCFAVVVHVQD-UHFFFAOYSA-N 0 0 321.380 3.259 10 30 DGEERN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)n2C)cc1 ZINC000448610606 528601266 /nfs/dbraw/zinc/60/12/66/528601266.db2.gz JXGZVIHODXLFIB-KRWDZBQOSA-N 0 0 323.396 3.273 10 30 DGEERN CCC1(CC)CN(c2c(Cl)cccc2C#N)CC[S@@]1=O ZINC000302224523 529086004 /nfs/dbraw/zinc/08/60/04/529086004.db2.gz QKFUPVYDKWHDBM-HXUWFJFHSA-N 0 0 310.850 3.339 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000134984734 545975859 /nfs/dbraw/zinc/97/58/59/545975859.db2.gz HLLYXCAMNZQPSJ-AWEZNQCLSA-N 0 0 306.406 3.038 10 30 DGEERN C#CCCOc1ccc(C(=O)N(CC=C)CC(F)(F)F)cc1 ZINC000294745298 546423988 /nfs/dbraw/zinc/42/39/88/546423988.db2.gz OOXKIDUZHINROO-UHFFFAOYSA-N 0 0 311.303 3.279 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3cncnc3)cn2)C[C@H](C)O1 ZINC000328766292 546481559 /nfs/dbraw/zinc/48/15/59/546481559.db2.gz FFNGIHMHUDKYNK-DABQJJPHSA-N 0 0 312.373 3.330 10 30 DGEERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCCOC1CCCC1 ZINC000328915381 546482091 /nfs/dbraw/zinc/48/20/91/546482091.db2.gz JPTVMADHJKNAMF-INIZCTEOSA-N 0 0 318.417 3.200 10 30 DGEERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000328922291 546482306 /nfs/dbraw/zinc/48/23/06/546482306.db2.gz UIHFKBISXOWROU-AYDFFVQHSA-N 0 0 316.405 3.190 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC1CCCC1)C2 ZINC000329308317 546485150 /nfs/dbraw/zinc/48/51/50/546485150.db2.gz ZQQUBDIVXYBFGO-UHFFFAOYSA-N 0 0 304.438 3.006 10 30 DGEERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)C2)cn1 ZINC000329735369 546491422 /nfs/dbraw/zinc/49/14/22/546491422.db2.gz KXQKKVMDPLIBAN-LJIGWXMPSA-N 0 0 316.449 3.092 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCC1CCCCC1 ZINC000330064505 546494742 /nfs/dbraw/zinc/49/47/42/546494742.db2.gz CIMSWKSWPJVYMI-GDBMZVCRSA-N 0 0 305.422 3.425 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(O)cc2)cs1 ZINC000330278433 546497159 /nfs/dbraw/zinc/49/71/59/546497159.db2.gz PQRVCDYVGNAVBK-HNNXBMFYSA-N 0 0 317.414 3.408 10 30 DGEERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CC[C@@H]2CCC[C@H]21 ZINC000330264822 546497365 /nfs/dbraw/zinc/49/73/65/546497365.db2.gz YJOXQYVAIGMEGK-GXFFZTMASA-N 0 0 301.346 3.087 10 30 DGEERN CCC(C#N)(CC)C(=O)NCCCCOCc1ccccc1 ZINC000390797617 546756109 /nfs/dbraw/zinc/75/61/09/546756109.db2.gz UHLGSSKVDZEOLI-UHFFFAOYSA-N 0 0 302.418 3.430 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N(CC)C1CC(C)(C)C1 ZINC000414523044 546787381 /nfs/dbraw/zinc/78/73/81/546787381.db2.gz CMPZSFXNULGRFF-AWEZNQCLSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c(S[C@@H](C)[C@H](C)O)nnc1-c1ccccc1F ZINC000445591215 546839361 /nfs/dbraw/zinc/83/93/61/546839361.db2.gz CVTAMGMXIDYTKO-QWRGUYRKSA-N 0 0 307.394 3.132 10 30 DGEERN C#CCOc1cccc(COC(=O)COCCc2ccccc2)c1 ZINC000730403575 574528689 /nfs/dbraw/zinc/52/86/89/574528689.db2.gz QNDIPQQACCPBAL-UHFFFAOYSA-N 0 0 324.376 3.001 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2ccc(C)c(C)c2)c1 ZINC000730403417 574528768 /nfs/dbraw/zinc/52/87/68/574528768.db2.gz IVQUGOIRJFXWNS-UHFFFAOYSA-N 0 0 324.376 3.438 10 30 DGEERN C#CCOc1cccc(OCc2ccc(F)cc2C(=O)OC)c1 ZINC000730439202 574529562 /nfs/dbraw/zinc/52/95/62/574529562.db2.gz CSDHPJGRFTVUCJ-UHFFFAOYSA-N 0 0 314.312 3.203 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@@H](C)OCC2CC2)c1 ZINC000730698951 574534105 /nfs/dbraw/zinc/53/41/05/574534105.db2.gz BAOYZBKRQKUSIN-UONOGXRCSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)COC2CCCC2)c1 ZINC000730699746 574534111 /nfs/dbraw/zinc/53/41/11/574534111.db2.gz KTCDIIBQYMKRFZ-AWEZNQCLSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1cccc(OS(=O)(=O)c2ccc(CC)s2)c1 ZINC000730573935 574532289 /nfs/dbraw/zinc/53/22/89/574532289.db2.gz GZXXRJGRRCDZEQ-UHFFFAOYSA-N 0 0 322.407 3.090 10 30 DGEERN C#CCOc1ccccc1CNCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000730818365 574536813 /nfs/dbraw/zinc/53/68/13/574536813.db2.gz QBPRHUYIDFYCFB-IAGOWNOFSA-N 0 0 300.446 3.051 10 30 DGEERN O=C(C=Cc1ccc(O)cc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000731564947 574551870 /nfs/dbraw/zinc/55/18/70/574551870.db2.gz VUIPDEYAPISDBH-CLTKARDFSA-N 0 0 309.243 3.408 10 30 DGEERN CCCCCCCC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000731588581 574552793 /nfs/dbraw/zinc/55/27/93/574552793.db2.gz KWJAYECCVBBKDI-INIZCTEOSA-N 0 0 302.418 3.269 10 30 DGEERN C#Cc1cccc(NC(=S)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000741493102 574557730 /nfs/dbraw/zinc/55/77/30/574557730.db2.gz ROMUXSIQEMGIOC-PBHICJAKSA-N 0 0 315.486 3.027 10 30 DGEERN C=CC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000732049551 574565451 /nfs/dbraw/zinc/56/54/51/574565451.db2.gz SMFVUIUEXFLKKC-ALCCZGGFSA-N 0 0 316.357 3.183 10 30 DGEERN C[C@@H](Cc1ccccc1)C(=O)OCCOc1cccc(C#N)c1 ZINC000732582424 574576387 /nfs/dbraw/zinc/57/63/87/574576387.db2.gz ISNRSTJKUHZKEU-HNNXBMFYSA-N 0 0 309.365 3.359 10 30 DGEERN C#CCN(CC)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000732888641 574586434 /nfs/dbraw/zinc/58/64/34/574586434.db2.gz AFQWNXPYKYUEPE-MRXNPFEDSA-N 0 0 320.408 3.284 10 30 DGEERN CN(C)c1cc(C(=O)Nc2ccc(CC#N)cc2)cc(Cl)n1 ZINC000733090595 574595787 /nfs/dbraw/zinc/59/57/87/574595787.db2.gz OBQWWVPCTUOXIX-UHFFFAOYSA-N 0 0 314.776 3.119 10 30 DGEERN C#CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000733247080 574609855 /nfs/dbraw/zinc/60/98/55/574609855.db2.gz IVEXDBKNNKNULM-UHFFFAOYSA-N 0 0 309.325 3.092 10 30 DGEERN C#CCCNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000733248293 574610123 /nfs/dbraw/zinc/61/01/23/574610123.db2.gz UEUDSGNTPFMBHJ-UHFFFAOYSA-N 0 0 311.983 3.448 10 30 DGEERN C#CCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000733248309 574610130 /nfs/dbraw/zinc/61/01/30/574610130.db2.gz VXKUWHWVMVDJBO-UHFFFAOYSA-N 0 0 324.428 3.125 10 30 DGEERN C#CCCNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000733342843 574617117 /nfs/dbraw/zinc/61/71/17/574617117.db2.gz NKDZBVIXFGEOIX-UHFFFAOYSA-N 0 0 323.234 3.049 10 30 DGEERN C#CCCNC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000733356402 574617554 /nfs/dbraw/zinc/61/75/54/574617554.db2.gz QBSMIEKNFPULDL-UHFFFAOYSA-N 0 0 302.443 3.414 10 30 DGEERN C#CCCNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000733623244 574632200 /nfs/dbraw/zinc/63/22/00/574632200.db2.gz ZFUZLCWXIYGJTG-UHFFFAOYSA-N 0 0 321.380 3.392 10 30 DGEERN C#CCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000733628366 574632678 /nfs/dbraw/zinc/63/26/78/574632678.db2.gz WRRGXVRRTTUCNQ-UHFFFAOYSA-N 0 0 307.353 3.084 10 30 DGEERN C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)CC#N)cc1OC ZINC000733712316 574635363 /nfs/dbraw/zinc/63/53/63/574635363.db2.gz KZINNDLRUSKABU-WOLRVDTOSA-N 0 0 301.342 3.119 10 30 DGEERN C=C(COC(=O)c1ccc(N(CC)C(C)C)cc1)C(=O)OCC ZINC000734028038 574647358 /nfs/dbraw/zinc/64/73/58/574647358.db2.gz BYYXVQRUKKVQRL-UHFFFAOYSA-N 0 0 319.401 3.197 10 30 DGEERN C=C(COC(=O)c1occc1-c1ccccc1)C(=O)OCC ZINC000734025640 574648342 /nfs/dbraw/zinc/64/83/42/574648342.db2.gz YXFJQFZZWIJGRN-UHFFFAOYSA-N 0 0 300.310 3.223 10 30 DGEERN C=C(COC(=O)c1cc2ccccc2cc1OC)C(=O)OCC ZINC000734025481 574648451 /nfs/dbraw/zinc/64/84/51/574648451.db2.gz RTLPSSQWPBTSFP-UHFFFAOYSA-N 0 0 314.337 3.125 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@H](C)c1cccs1 ZINC000734162987 574653744 /nfs/dbraw/zinc/65/37/44/574653744.db2.gz SDIQNHWNCVJMHF-CYBMUJFWSA-N 0 0 314.410 3.321 10 30 DGEERN C=CC[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1ccncc1 ZINC000734455981 574662428 /nfs/dbraw/zinc/66/24/28/574662428.db2.gz PQYTULWUOJWNSB-SFHVURJKSA-N 0 0 320.392 3.187 10 30 DGEERN C=CC[C@@H](NS(=O)(=O)c1ccc(CC)s1)c1ccncc1 ZINC000734504645 574665185 /nfs/dbraw/zinc/66/51/85/574665185.db2.gz SVRWPRMJJGADIJ-CQSZACIVSA-N 0 0 322.455 3.301 10 30 DGEERN N#CCOc1ccc(Cl)cc1CN(CC(F)F)C1CC1 ZINC000735309384 574696912 /nfs/dbraw/zinc/69/69/12/574696912.db2.gz MFFGBHLHLGLKPV-UHFFFAOYSA-N 0 0 300.736 3.472 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(O)c1 ZINC000735333482 574698879 /nfs/dbraw/zinc/69/88/79/574698879.db2.gz GMDKHCCEVKCGRU-UHFFFAOYSA-N 0 0 317.728 3.305 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)CC2CCOCC2)c1 ZINC000735400511 574700838 /nfs/dbraw/zinc/70/08/38/574700838.db2.gz SWTCNMLHSDJRAX-CQSZACIVSA-N 0 0 302.370 3.120 10 30 DGEERN CC(=CC(=O)Nc1ccncc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC000735439481 574702102 /nfs/dbraw/zinc/70/21/02/574702102.db2.gz ZWKCMAHEYCWGBI-YIXHJXPBSA-N 0 0 321.424 3.476 10 30 DGEERN C=C(Cl)CNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000736239458 574737257 /nfs/dbraw/zinc/73/72/57/574737257.db2.gz YLFZDLHAKADLIS-UHFFFAOYSA-N 0 0 323.805 3.153 10 30 DGEERN C#CCCNC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000738952003 574887287 /nfs/dbraw/zinc/88/72/87/574887287.db2.gz OKMXYRJMFRRRQC-UHFFFAOYSA-N 0 0 302.321 3.328 10 30 DGEERN Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cnn2ccccc12 ZINC000739423918 574902923 /nfs/dbraw/zinc/90/29/23/574902923.db2.gz FLTBUXHQPHKYCX-VURMDHGXSA-N 0 0 307.309 3.447 10 30 DGEERN C#CCSCCNC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000739828330 574912946 /nfs/dbraw/zinc/91/29/46/574912946.db2.gz CRNAABNRXJHQDH-UHFFFAOYSA-N 0 0 314.454 3.394 10 30 DGEERN C#CCSCCNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000740071830 574922262 /nfs/dbraw/zinc/92/22/62/574922262.db2.gz ZEVAOIHNWXWRJV-AWEZNQCLSA-N 0 0 322.861 3.205 10 30 DGEERN C=C(COC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)OCC ZINC000740297026 574931323 /nfs/dbraw/zinc/93/13/23/574931323.db2.gz CSHNHNXDMCZFLP-UHFFFAOYSA-N 0 0 321.760 3.026 10 30 DGEERN c1[nH]c(-c2ccccc2)nc1CN=Nc1cnc2ccccc2n1 ZINC000741463139 574958631 /nfs/dbraw/zinc/95/86/31/574958631.db2.gz ACALRZPTSNPYJW-UHFFFAOYSA-N 0 0 314.352 3.466 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=S)NCc1ccccc1 ZINC000741502058 574960176 /nfs/dbraw/zinc/96/01/76/574960176.db2.gz JNMTXIFJYUYBCZ-UHFFFAOYSA-N 0 0 314.385 3.324 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Oc1cccc(C(=O)N(CC)CC)c1 ZINC000741599948 574964011 /nfs/dbraw/zinc/96/40/11/574964011.db2.gz MUKNIBXLODMKOX-AWEZNQCLSA-N 0 0 319.401 3.055 10 30 DGEERN C#Cc1cccc(NC(=S)NNc2cccc(F)c2F)c1 ZINC000743005208 575028726 /nfs/dbraw/zinc/02/87/26/575028726.db2.gz PNXUHZHUXPPVQM-UHFFFAOYSA-N 0 0 303.337 3.260 10 30 DGEERN Cn1ccnc1C[C@@H](/N=C\c1cccc(O)c1O)c1ccccc1 ZINC000743044463 575032926 /nfs/dbraw/zinc/03/29/26/575032926.db2.gz KCNPSPOCAGIVHU-RDPIHGLISA-N 0 0 321.380 3.234 10 30 DGEERN C#Cc1ccc(C(=O)OCc2nc(-c3ccsc3)oc2C)cn1 ZINC000729029177 575210588 /nfs/dbraw/zinc/21/05/88/575210588.db2.gz MRJIWEPRIIXRMR-UHFFFAOYSA-N 0 0 324.361 3.445 10 30 DGEERN FC(F)(F)c1cccnc1N=NCc1cnn2ccccc12 ZINC000729637861 575257794 /nfs/dbraw/zinc/25/77/94/575257794.db2.gz VYFUGCHORHASGJ-UHFFFAOYSA-N 0 0 305.263 3.194 10 30 DGEERN Cc1cc(CN(C)C(=S)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000726464354 576025622 /nfs/dbraw/zinc/02/56/22/576025622.db2.gz FNPHIQXRRUTQBU-UHFFFAOYSA-N 0 0 320.805 3.337 10 30 DGEERN C=CCCC(=O)OCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000726650213 576034447 /nfs/dbraw/zinc/03/44/47/576034447.db2.gz BGBFLZWWJMXKLO-HNNXBMFYSA-N 0 0 315.413 3.323 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000727061435 576099567 /nfs/dbraw/zinc/09/95/67/576099567.db2.gz HPJLORHMVZXSKD-UHFFFAOYSA-N 0 0 304.296 3.207 10 30 DGEERN C#CCN(C(=O)N[C@@H](COC)c1ccccc1)C1CCCCC1 ZINC000727228525 576114327 /nfs/dbraw/zinc/11/43/27/576114327.db2.gz PERLHEYATDLLOW-SFHVURJKSA-N 0 0 314.429 3.352 10 30 DGEERN CC(=[NH+][N-]c1ccc(Br)cn1)c1ccc(N)cc1 ZINC000727265262 576115735 /nfs/dbraw/zinc/11/57/35/576115735.db2.gz MKMJEZKTKSKDCC-UHFFFAOYSA-N 0 0 305.179 3.262 10 30 DGEERN Cc1ccc(NN=Cc2cc(Br)ccc2O)nc1 ZINC000727263044 576116730 /nfs/dbraw/zinc/11/67/30/576116730.db2.gz KESYNMJNXWZGFM-UHFFFAOYSA-N 0 0 306.163 3.304 10 30 DGEERN C=CCCO[C@@H](C)C(=O)OCc1nc2cc(F)ccc2n1CC ZINC000727513083 576130613 /nfs/dbraw/zinc/13/06/13/576130613.db2.gz NRPIMLFKUAKNFV-LBPRGKRZSA-N 0 0 320.364 3.220 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000728536840 576187658 /nfs/dbraw/zinc/18/76/58/576187658.db2.gz GRMXCAWLGLZOEN-UHFFFAOYSA-N 0 0 316.360 3.176 10 30 DGEERN C=C(Br)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000154355210 620664360 /nfs/dbraw/zinc/66/43/60/620664360.db2.gz OXJAWHXPCHKUIU-JTQLQIEISA-N 0 0 315.186 3.403 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000154619679 620694773 /nfs/dbraw/zinc/69/47/73/620694773.db2.gz PTAUQQWTYZMJOA-JTQLQIEISA-N 0 0 316.279 3.118 10 30 DGEERN C#CCOc1ccccc1OC[C@H](O)c1ccc(F)cc1C ZINC000154989566 620752926 /nfs/dbraw/zinc/75/29/26/620752926.db2.gz NECVRBAQZISUHE-INIZCTEOSA-N 0 0 300.329 3.259 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000112149152 620794076 /nfs/dbraw/zinc/79/40/76/620794076.db2.gz XYUPYFGUWBYHDC-ZBFHGGJFSA-N 0 0 322.412 3.060 10 30 DGEERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc(CC#N)cc2)C1 ZINC000888102901 618626408 /nfs/dbraw/zinc/62/64/08/618626408.db2.gz UBEJGKQZYIKJTI-MSOLQXFVSA-N 0 0 324.428 3.055 10 30 DGEERN C=CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000144151604 619065945 /nfs/dbraw/zinc/06/59/45/619065945.db2.gz FIOQDJOMFHNOGC-OAHLLOKOSA-N 0 0 319.401 3.242 10 30 DGEERN C#CCN(C(=O)NC1CCC(OC(C)C)CC1)C1CCCC1 ZINC000151983951 620486247 /nfs/dbraw/zinc/48/62/47/620486247.db2.gz LJQBOJVEPJMWPQ-UHFFFAOYSA-N 0 0 306.450 3.310 10 30 DGEERN CCc1cccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)c1 ZINC000152304713 620501122 /nfs/dbraw/zinc/50/11/22/620501122.db2.gz MIZGTCYPSLMLAD-QGZVFWFLSA-N 0 0 306.365 3.139 10 30 DGEERN C#C[C@@H](OC(=O)[C@H](C)Oc1ccccc1Br)C1CC1 ZINC000152366434 620502911 /nfs/dbraw/zinc/50/29/11/620502911.db2.gz PJMSWIAXAYGLKW-GXFFZTMASA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@H](OC(=O)c1ccc(C(=O)N(CC)CCC)cc1)C1CC1 ZINC000152605931 620514537 /nfs/dbraw/zinc/51/45/37/620514537.db2.gz MTCMPNFNCVVVFX-KRWDZBQOSA-N 0 0 313.397 3.127 10 30 DGEERN C#CCN(C1CCCC1)S(=O)(=O)N(CCCC)CCCC ZINC000153086532 620532524 /nfs/dbraw/zinc/53/25/24/620532524.db2.gz HDUXICVARARHJQ-UHFFFAOYSA-N 0 0 314.495 3.011 10 30 DGEERN C#CCN(C1CCCC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000153113372 620533941 /nfs/dbraw/zinc/53/39/41/620533941.db2.gz SRYUVSXBGKIZAN-UHFFFAOYSA-N 0 0 315.797 3.046 10 30 DGEERN C#CCC(C)(C)COC(=O)COc1ccc(CCC(C)=O)cc1 ZINC000153355141 620553977 /nfs/dbraw/zinc/55/39/77/620553977.db2.gz ZVPPBXHITABFPJ-UHFFFAOYSA-N 0 0 316.397 3.180 10 30 DGEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000153426223 620562685 /nfs/dbraw/zinc/56/26/85/620562685.db2.gz XWBISVMGZNDKJT-SKDRFNHKSA-N 0 0 309.749 3.083 10 30 DGEERN C#Cc1cccc(N(C)C(=O)Cc2c(C)nn(CC(C)C)c2C)c1 ZINC000103032171 621223925 /nfs/dbraw/zinc/22/39/25/621223925.db2.gz HILKMWPBXDGFFA-UHFFFAOYSA-N 0 0 323.440 3.343 10 30 DGEERN C=CC[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000116987959 621332391 /nfs/dbraw/zinc/33/23/91/621332391.db2.gz XDDDIMHFLLGQPB-OAHLLOKOSA-N 0 0 322.408 3.164 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000120709447 621981610 /nfs/dbraw/zinc/98/16/10/621981610.db2.gz DAXQMEXNISXOJV-CHWSQXEVSA-N 0 0 304.365 3.490 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccnc1Cl ZINC000015800982 621993182 /nfs/dbraw/zinc/99/31/82/621993182.db2.gz AEWULFKYUBHKNK-JTQLQIEISA-N 0 0 301.733 3.013 10 30 DGEERN C=C(Br)CN1CC[C@H](C(=O)OC)c2ccccc21 ZINC000120866593 622034019 /nfs/dbraw/zinc/03/40/19/622034019.db2.gz CTVSAVPDPMTXHU-LBPRGKRZSA-N 0 0 310.191 3.062 10 30 DGEERN CCN(C[C@@H](C)C#N)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120907377 622046739 /nfs/dbraw/zinc/04/67/39/622046739.db2.gz LOCCRKIQJJIGQK-WFASDCNBSA-N 0 0 305.809 3.315 10 30 DGEERN C=CC1CCN(C(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000122225544 622262828 /nfs/dbraw/zinc/26/28/28/622262828.db2.gz JFCNZAQPHXYNQL-GOSISDBHSA-N 0 0 322.449 3.201 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000123023640 622447374 /nfs/dbraw/zinc/44/73/74/622447374.db2.gz JUHNPKMNRXUZKL-CYBMUJFWSA-N 0 0 318.214 3.038 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Oc1cccc(N2CCCC2=O)c1 ZINC000129370451 625603947 /nfs/dbraw/zinc/60/39/47/625603947.db2.gz YOXXAYPRARYRCY-UHFFFAOYSA-N 0 0 320.348 3.213 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125733574 623537567 /nfs/dbraw/zinc/53/75/67/623537567.db2.gz MSQDWDVCUVONAF-CQSZACIVSA-N 0 0 324.380 3.149 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125983050 623627435 /nfs/dbraw/zinc/62/74/35/623627435.db2.gz FFTWFKUSMMIUHI-UHFFFAOYSA-N 0 0 323.776 3.286 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)C(=O)NCCC1=CCCC1 ZINC000126228164 623739008 /nfs/dbraw/zinc/73/90/08/623739008.db2.gz VPYRLWBQTTZPRB-UHFFFAOYSA-N 0 0 300.377 3.471 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)C(C)C ZINC000127520878 624435042 /nfs/dbraw/zinc/43/50/42/624435042.db2.gz CWZQLJNYKGAECF-ZDUSSCGKSA-N 0 0 305.374 3.314 10 30 DGEERN COc1cccc(C/N=C/c2cc(Br)ccc2O)n1 ZINC000127730721 624542183 /nfs/dbraw/zinc/54/21/83/624542183.db2.gz ICNZIIUSHAUGLN-LZYBPNLTSA-N 0 0 321.174 3.177 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSc2ccccc2F)c1 ZINC000128235915 624802164 /nfs/dbraw/zinc/80/21/64/624802164.db2.gz WBJUSNSNTMQIBJ-UHFFFAOYSA-N 0 0 321.398 3.263 10 30 DGEERN N#Cc1ccccc1OS(=O)(=O)c1c(F)cccc1Cl ZINC000130948433 625922033 /nfs/dbraw/zinc/92/20/33/625922033.db2.gz TUCGGZNHSAZEKU-UHFFFAOYSA-N 0 0 311.721 3.118 10 30 DGEERN O=S(=O)(OCC(F)(F)C(F)F)c1c(F)cccc1Cl ZINC000130946906 625922104 /nfs/dbraw/zinc/92/21/04/625922104.db2.gz PCVAQAQCMNDYBP-UHFFFAOYSA-N 0 0 324.654 3.085 10 30 DGEERN COCCCOc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000131269012 626616892 /nfs/dbraw/zinc/61/68/92/626616892.db2.gz SHUUVUVMDUQAAV-ZDUSSCGKSA-N 0 0 305.374 3.197 10 30 DGEERN C#CCOc1cccc(NC(=O)Cc2cnc3ccccc3c2)c1 ZINC000131472366 626640839 /nfs/dbraw/zinc/64/08/39/626640839.db2.gz PBMZFGRITHFAIQ-UHFFFAOYSA-N 0 0 316.360 3.428 10 30 DGEERN C=CCNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000131632149 626660903 /nfs/dbraw/zinc/66/09/03/626660903.db2.gz MQTLCZLWPOQLKY-KGLIPLIRSA-N 0 0 310.438 3.152 10 30 DGEERN C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000027688801 626682080 /nfs/dbraw/zinc/68/20/80/626682080.db2.gz HHUHJKVRIRZXFL-XOVSCCBYSA-N 0 0 320.348 3.178 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000133607250 626827913 /nfs/dbraw/zinc/82/79/13/626827913.db2.gz SYCSNATXFWSTGK-UHFFFAOYSA-N 0 0 320.392 3.381 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(C(=O)OC)cc1 ZINC000102136302 629956122 /nfs/dbraw/zinc/95/61/22/629956122.db2.gz KAHPHYNGVYKBLS-STQMWFEESA-N 0 0 306.358 3.059 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccn1 ZINC000105549575 630736283 /nfs/dbraw/zinc/73/62/83/630736283.db2.gz AJSRKWVVWTVLGA-KBXCAEBGSA-N 0 0 320.348 3.028 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](C)OCC1CC1 ZINC000107060042 631517255 /nfs/dbraw/zinc/51/72/55/631517255.db2.gz RAVFOVMSZPCBDM-ZIAGYGMSSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCOCc1ccccc1 ZINC000107192083 631560332 /nfs/dbraw/zinc/56/03/32/631560332.db2.gz PIIBZZHXCYTGKL-UHFFFAOYSA-N 0 0 310.349 3.211 10 30 DGEERN C#CCOc1ccc(NC(=O)[C@H](CC)c2c(C)noc2C)cc1 ZINC000108186426 631823583 /nfs/dbraw/zinc/82/35/83/631823583.db2.gz MQXNANAFRCDMJX-MRXNPFEDSA-N 0 0 312.369 3.436 10 30 DGEERN C#CCC(C)(C)COC(=O)CCN(Cc1ccccc1)C(C)=O ZINC000185374374 660218929 /nfs/dbraw/zinc/21/89/29/660218929.db2.gz KZCSKDPBQPCWIA-UHFFFAOYSA-N 0 0 315.413 3.018 10 30 DGEERN CCCc1noc(CCCC(=O)OCC2(C#N)CCCCC2)n1 ZINC000183715757 660132740 /nfs/dbraw/zinc/13/27/40/660132740.db2.gz MZDUOUGTYIQJGT-UHFFFAOYSA-N 0 0 319.405 3.362 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000185781350 660241241 /nfs/dbraw/zinc/24/12/41/660241241.db2.gz RYNFDODKZPTKIX-OAHLLOKOSA-N 0 0 317.335 3.299 10 30 DGEERN C=CCOCCCC(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000185845626 660248271 /nfs/dbraw/zinc/24/82/71/660248271.db2.gz RWFCINWBDSPSMH-WMZOPIPTSA-N 0 0 304.386 3.290 10 30 DGEERN C#C[C@H](C)NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000185993596 660257667 /nfs/dbraw/zinc/25/76/67/660257667.db2.gz FBKHETYUDRNNLG-IINYFYTJSA-N 0 0 310.319 3.477 10 30 DGEERN N#CCOc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 ZINC000073649687 660443571 /nfs/dbraw/zinc/44/35/71/660443571.db2.gz BIFBJOIQTMXFQW-HNNXBMFYSA-N 0 0 313.744 3.096 10 30 DGEERN C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000198832355 660511772 /nfs/dbraw/zinc/51/17/72/660511772.db2.gz IINLAASTSJDFGQ-OAHLLOKOSA-N 0 0 314.385 3.006 10 30 DGEERN Cc1ccc(CCC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000073973217 660578569 /nfs/dbraw/zinc/57/85/69/660578569.db2.gz JBDCWPSEPUENAC-MRXNPFEDSA-N 0 0 322.412 3.122 10 30 DGEERN C#CC(C)(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000700594904 660630128 /nfs/dbraw/zinc/63/01/28/660630128.db2.gz NNJKJRFXXJKPDY-VIFPVBQESA-N 0 0 300.185 3.289 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC=C(Br)C2)cc1 ZINC000700999609 660647846 /nfs/dbraw/zinc/64/78/46/660647846.db2.gz OVOHGONTTYVTNY-UHFFFAOYSA-N 0 0 322.202 3.376 10 30 DGEERN C#CCN(CC)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000704306069 660807067 /nfs/dbraw/zinc/80/70/67/660807067.db2.gz KTHHWHPJGZNLOD-JTQLQIEISA-N 0 0 300.185 3.242 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2cccc(C#N)c2)C1 ZINC000711445779 660953226 /nfs/dbraw/zinc/95/32/26/660953226.db2.gz CADQEBCWKBRQHJ-UHFFFAOYSA-N 0 0 301.390 3.273 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc(OC)cc(OC)c1 ZINC000187501683 655550371 /nfs/dbraw/zinc/55/03/71/655550371.db2.gz UYOIUXPUOIRZBO-QGZVFWFLSA-N 0 0 308.374 3.089 10 30 DGEERN C#Cc1cccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)c1 ZINC000254970540 655551166 /nfs/dbraw/zinc/55/11/66/655551166.db2.gz AMCHCMJSLFJDOS-QXMHVHEDSA-N 0 0 313.360 3.287 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(C(=O)OC)cc1 ZINC000187591023 655551647 /nfs/dbraw/zinc/55/16/47/655551647.db2.gz ZKXWBSQTWCXPRZ-SCLBCKFNSA-N 0 0 320.385 3.306 10 30 DGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175776683 655574478 /nfs/dbraw/zinc/57/44/78/655574478.db2.gz OYFBLLWDSRRELB-LLVKDONJSA-N 0 0 311.297 3.088 10 30 DGEERN CCn1cc(C(=O)/C=C\c2c(Cl)nc3sccn23)cn1 ZINC000255068748 655591407 /nfs/dbraw/zinc/59/14/07/655591407.db2.gz PEJPEFQTLHVQKB-ARJAWSKDSA-N 0 0 306.778 3.162 10 30 DGEERN N#Cc1ccc(OC(=O)/C=C\c2cnc3ccccc3n2)c(F)c1 ZINC000255080313 655595532 /nfs/dbraw/zinc/59/55/32/655595532.db2.gz IDUGUPCYGPBVQA-VURMDHGXSA-N 0 0 319.295 3.259 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cccc3nccn31)C2=O ZINC000255128850 655607324 /nfs/dbraw/zinc/60/73/24/655607324.db2.gz OWOVDGTXQNBCDQ-BENRWUELSA-N 0 0 306.321 3.002 10 30 DGEERN C#CCN(C(=O)c1ccsc1Br)C(C)(C)C ZINC000723030927 655653809 /nfs/dbraw/zinc/65/38/09/655653809.db2.gz PQIZOGUTQJWJPL-UHFFFAOYSA-N 0 0 300.221 3.385 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000255223151 655658887 /nfs/dbraw/zinc/65/88/87/655658887.db2.gz GIVOBEXTWILKNW-PTZVLDCSSA-N 0 0 324.405 3.233 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000255385292 655723835 /nfs/dbraw/zinc/72/38/35/655723835.db2.gz IQQDLHNKBNZSMQ-KEGWNNHHSA-N 0 0 324.405 3.233 10 30 DGEERN COc1cc(C(=O)O[C@H](C#N)C(C)C)ccc1OCC(C)C ZINC000176045067 655724238 /nfs/dbraw/zinc/72/42/38/655724238.db2.gz HHBKCDQIHIQXFU-MRXNPFEDSA-N 0 0 305.374 3.435 10 30 DGEERN C#CCOCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000161089740 655728753 /nfs/dbraw/zinc/72/87/53/655728753.db2.gz TXMFYCYVSQDWJE-UHFFFAOYSA-N 0 0 319.364 3.208 10 30 DGEERN O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cc(O)ccc1O ZINC000255442610 655752964 /nfs/dbraw/zinc/75/29/64/655752964.db2.gz BHSIFZGAIAJBRZ-VURMDHGXSA-N 0 0 306.321 3.384 10 30 DGEERN Cc1ncccc1/C=C1\CN(C)C/C(=C\c2cccnc2C)C1=O ZINC000255508555 655781834 /nfs/dbraw/zinc/78/18/34/655781834.db2.gz LPCIJJNFHORAMZ-XOBNHNQQSA-N 0 0 319.408 3.075 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OCCc1cccnc1 ZINC000155880234 655810849 /nfs/dbraw/zinc/81/08/49/655810849.db2.gz RNFZOUKZTXUXGI-UHFFFAOYSA-N 0 0 313.353 3.055 10 30 DGEERN N#Cc1cc(Br)cnc1N1CCC(F)(C2CC2)CC1 ZINC000724836305 655814508 /nfs/dbraw/zinc/81/45/08/655814508.db2.gz QQKZBTLQDBNUOR-UHFFFAOYSA-N 0 0 324.197 3.434 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1cnc2nc(C)cc(C)n12 ZINC000157142418 655819580 /nfs/dbraw/zinc/81/95/80/655819580.db2.gz VQBURWILRGCLNQ-UHFFFAOYSA-N 0 0 324.359 3.109 10 30 DGEERN C=C(Br)COC(=O)c1c(N)cc(F)cc1Cl ZINC000309536463 655837876 /nfs/dbraw/zinc/83/78/76/655837876.db2.gz FJCGUCSTEQXFKQ-UHFFFAOYSA-N 0 0 308.534 3.127 10 30 DGEERN CCc1noc(C)c1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000162109105 655846772 /nfs/dbraw/zinc/84/67/72/655846772.db2.gz YTPNWROFDYMCAV-JTQLQIEISA-N 0 0 314.345 3.480 10 30 DGEERN C#CCN(CC#C)C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000176938504 655873357 /nfs/dbraw/zinc/87/33/57/655873357.db2.gz SQKIZEGYUZJDAV-UHFFFAOYSA-N 0 0 302.377 3.129 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](C)C#N ZINC000255626135 655878828 /nfs/dbraw/zinc/87/88/28/655878828.db2.gz JRRDVFMKJVRZIL-LJTDUEICSA-N 0 0 309.369 3.065 10 30 DGEERN C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(CC)s1 ZINC000065973218 655922389 /nfs/dbraw/zinc/92/23/89/655922389.db2.gz KBKOOXCURVCNOT-UHFFFAOYSA-N 0 0 311.472 3.267 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000177694424 655940163 /nfs/dbraw/zinc/94/01/63/655940163.db2.gz JSRZFNGOZPVCCM-CQSZACIVSA-N 0 0 319.361 3.027 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)OCc1cccc(OC)c1)C(C)C ZINC000177721898 655943169 /nfs/dbraw/zinc/94/31/69/655943169.db2.gz JTMHXHVSWLIBOP-WMLDXEAASA-N 0 0 304.386 3.191 10 30 DGEERN C=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC ZINC000179154842 656007179 /nfs/dbraw/zinc/00/71/79/656007179.db2.gz ICRQEWGDDCMWBD-UHFFFAOYSA-N 0 0 319.235 3.112 10 30 DGEERN [O-]C(N[C@@H]1CCc2ccccc2C1)=[NH+][C@H]1COc2ccccc21 ZINC000328713917 656077013 /nfs/dbraw/zinc/07/70/13/656077013.db2.gz CEDLWBYODZPZIW-WBVHZDCISA-N 0 0 308.381 3.181 10 30 DGEERN N#CC1(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCC1 ZINC000183831093 656115175 /nfs/dbraw/zinc/11/51/75/656115175.db2.gz RWLLBZOYOXXBHO-UHFFFAOYSA-N 0 0 323.352 3.465 10 30 DGEERN Cn1c(C(=O)OCC2(C#N)CCOCC2)ccc1-c1ccccc1 ZINC000183907357 656115342 /nfs/dbraw/zinc/11/53/42/656115342.db2.gz YMTDUYICVQWQHA-UHFFFAOYSA-N 0 0 324.380 3.169 10 30 DGEERN COC1(C(=O)OC[C@@H](C#N)Cc2cccs2)CCCCC1 ZINC000187710086 656139979 /nfs/dbraw/zinc/13/99/79/656139979.db2.gz XRRCHUWPPKSFDJ-CYBMUJFWSA-N 0 0 307.415 3.323 10 30 DGEERN CC(C)(CC#N)COC(=O)CCOCC(F)(F)C(F)(F)F ZINC000192294555 656177297 /nfs/dbraw/zinc/17/72/97/656177297.db2.gz QJUVRUUXKZTQOS-UHFFFAOYSA-N 0 0 317.254 3.074 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000195046994 656208104 /nfs/dbraw/zinc/20/81/04/656208104.db2.gz CCNWSRCIJCZKGG-UHFFFAOYSA-N 0 0 317.311 3.322 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cccc(OCC(F)F)n1 ZINC000195087948 656208927 /nfs/dbraw/zinc/20/89/27/656208927.db2.gz LBFBESGFTVKDGG-UHFFFAOYSA-N 0 0 312.316 3.212 10 30 DGEERN CC(C)(CCC#N)COC(=O)COc1ccc2c(c1)CCC2 ZINC000195097357 656209090 /nfs/dbraw/zinc/20/90/90/656209090.db2.gz UHKYSNRQMFZRSQ-UHFFFAOYSA-N 0 0 301.386 3.427 10 30 DGEERN Cc1ccc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 ZINC000125202640 656268630 /nfs/dbraw/zinc/26/86/30/656268630.db2.gz QGZBIJCXIHYLCL-MRXNPFEDSA-N 0 0 321.380 3.060 10 30 DGEERN CCOc1cc2c(cc1/C=C/C(=O)OCCCC#N)O[C@@H](C)C2 ZINC000053908605 656448893 /nfs/dbraw/zinc/44/88/93/656448893.db2.gz HUWLUSCPZXIZFV-YBJDMEARSA-N 0 0 315.369 3.269 10 30 DGEERN Cc1nc(C(=O)Nc2ccc(F)cc2OCC#N)c(C)s1 ZINC000178951414 657358147 /nfs/dbraw/zinc/35/81/47/657358147.db2.gz GTQKQZUAEREABH-UHFFFAOYSA-N 0 0 305.334 3.054 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000183041474 657376216 /nfs/dbraw/zinc/37/62/16/657376216.db2.gz ZNGIBVIDKJZRAM-KRWDZBQOSA-N 0 0 300.354 3.003 10 30 DGEERN CC#CCCCC(=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000183741408 657381724 /nfs/dbraw/zinc/38/17/24/657381724.db2.gz YCZYMMLKDLYCGY-UHFFFAOYSA-N 0 0 314.307 3.249 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000194882294 657387842 /nfs/dbraw/zinc/38/78/42/657387842.db2.gz CHMFAWSCNALTBL-NSHDSACASA-N 0 0 301.308 3.203 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)Cc2ccccc2OCC)cc1 ZINC000303935973 657699996 /nfs/dbraw/zinc/69/99/96/657699996.db2.gz QOABJWBSHKKPLQ-UHFFFAOYSA-N 0 0 323.392 3.370 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ncccc1C(F)(F)F ZINC000191104617 657753367 /nfs/dbraw/zinc/75/33/67/657753367.db2.gz NNMDGUHTSSSOHJ-AWEZNQCLSA-N 0 0 317.307 3.486 10 30 DGEERN COC(=O)c1ccc(/C=C2\COc3c(OC)cccc3C2=O)cc1 ZINC000098125408 657912655 /nfs/dbraw/zinc/91/26/55/657912655.db2.gz YOXWYXAMSCZRKN-GXDHUFHOSA-N 0 0 324.332 3.141 10 30 DGEERN C=C[C@@H](CC(=O)OCCc1c(C)nn(C)c1C)c1ccccc1 ZINC000179187181 658376509 /nfs/dbraw/zinc/37/65/09/658376509.db2.gz DAWWQGXVBVBMEL-INIZCTEOSA-N 0 0 312.413 3.483 10 30 DGEERN N#C[C@H](COC(=O)CSCC(F)(F)F)Cc1cccs1 ZINC000089289118 658390437 /nfs/dbraw/zinc/39/04/37/658390437.db2.gz ZOXSYOXJNQXNKD-SECBINFHSA-N 0 0 323.361 3.269 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000179246791 658390673 /nfs/dbraw/zinc/39/06/73/658390673.db2.gz ZVYGIBDERDVBDL-NSHDSACASA-N 0 0 313.382 3.032 10 30 DGEERN C#CC[C@H](OC(=O)Cc1c(F)cccc1F)c1ccccn1 ZINC000088809771 658640119 /nfs/dbraw/zinc/64/01/19/658640119.db2.gz HECOJCOWQIVDTQ-INIZCTEOSA-N 0 0 301.292 3.210 10 30 DGEERN C[C@H](O)c1nc2ccccc2n1CCOc1cccc(C#N)c1 ZINC000192834517 658750012 /nfs/dbraw/zinc/75/00/12/658750012.db2.gz IDKHCENSTCWHRS-ZDUSSCGKSA-N 0 0 307.353 3.040 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1c(F)cccc1F ZINC000192945424 658823418 /nfs/dbraw/zinc/82/34/18/658823418.db2.gz GSNDODVOYCPINT-SNVBAGLBSA-N 0 0 303.264 3.209 10 30 DGEERN C#CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CCCC1 ZINC000163862992 658904745 /nfs/dbraw/zinc/90/47/45/658904745.db2.gz NQAORRFCSHNLDR-ZBFHGGJFSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCCCCNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000156498447 658924933 /nfs/dbraw/zinc/92/49/33/658924933.db2.gz CGTHZVXORXMJNA-UHFFFAOYSA-N 0 0 311.425 3.448 10 30 DGEERN C=CCC[C@H](OC(=O)c1csc(S(C)(=O)=O)c1)C1CC1 ZINC000156645599 658932029 /nfs/dbraw/zinc/93/20/29/658932029.db2.gz XUYANTCWBBWRPN-LBPRGKRZSA-N 0 0 314.428 3.053 10 30 DGEERN C=CCn1c(C(=O)N2CCCC2)cc2oc(Br)cc21 ZINC000223727176 658996439 /nfs/dbraw/zinc/99/64/39/658996439.db2.gz CWDDDLXEHBHFIE-UHFFFAOYSA-N 0 0 323.190 3.419 10 30 DGEERN CCOc1ccc(OC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000045884081 659056964 /nfs/dbraw/zinc/05/69/64/659056964.db2.gz LZVCAAKXGYXDMQ-ZDUSSCGKSA-N 0 0 311.337 3.330 10 30 DGEERN COc1ccc(C(=O)/C=C\c2ccc(F)cc2)c(O)c1OC ZINC000229794249 659281343 /nfs/dbraw/zinc/28/13/43/659281343.db2.gz AKUXVYORGUNVQE-UITAMQMPSA-N 0 0 302.301 3.445 10 30 DGEERN C#CCSCCNC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000172428127 659336909 /nfs/dbraw/zinc/33/69/09/659336909.db2.gz MIXPOBLHZCFSAO-UHFFFAOYSA-N 0 0 319.474 3.409 10 30 DGEERN CC[C@@H]1CCCCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172486457 659340344 /nfs/dbraw/zinc/34/03/44/659340344.db2.gz BUNLUUYCDOLATB-MRXNPFEDSA-N 0 0 315.417 3.453 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)/C=C/c1ccccc1C#N ZINC000172960222 659367873 /nfs/dbraw/zinc/36/78/73/659367873.db2.gz BBJKOZFVVHMCEE-PCUGXKRQSA-N 0 0 320.392 3.293 10 30 DGEERN CCOc1ccc(NCc2cnc3ccc(C#N)cn23)cc1OC ZINC000173570139 659393130 /nfs/dbraw/zinc/39/31/30/659393130.db2.gz WEFSOHNRCOOMMD-UHFFFAOYSA-N 0 0 322.368 3.225 10 30 DGEERN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc3cc[nH]c32)c1 ZINC000173964772 659406517 /nfs/dbraw/zinc/40/65/17/659406517.db2.gz VHFFXDZXTJBFLB-INIZCTEOSA-N 0 0 317.348 3.438 10 30 DGEERN C[C@H](C/N=C/c1ccc(O)c(O)c1O)c1ccc(F)cc1F ZINC000173992121 659408392 /nfs/dbraw/zinc/40/83/92/659408392.db2.gz ORJBKJLLGFUJCY-HURAESQDSA-N 0 0 307.296 3.304 10 30 DGEERN C=C(Br)CNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174137052 659415590 /nfs/dbraw/zinc/41/55/90/659415590.db2.gz PVBMJYZMXQYEMN-UHFFFAOYSA-N 0 0 323.234 3.315 10 30 DGEERN C#C[C@@H](C)OC(=O)COc1ccccc1OCc1ccccc1 ZINC000174425480 659433377 /nfs/dbraw/zinc/43/33/77/659433377.db2.gz BHRUZTIXSKOHOR-OAHLLOKOSA-N 0 0 310.349 3.209 10 30 DGEERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCC2(CC#N)CC2)c1 ZINC000174736481 659576491 /nfs/dbraw/zinc/57/64/91/659576491.db2.gz ARBJMWFKJBFGIF-WFASDCNBSA-N 0 0 312.369 3.132 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000089318886 659616408 /nfs/dbraw/zinc/61/64/08/659616408.db2.gz HBHHFQYUGBBVEK-CQSZACIVSA-N 0 0 311.422 3.389 10 30 DGEERN N#CCC1(COC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000174743708 659623505 /nfs/dbraw/zinc/62/35/05/659623505.db2.gz HSHFGQVVDIJBIB-UHFFFAOYSA-N 0 0 323.352 3.465 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](C)COCc2ccccc2)c1 ZINC000174786297 659656832 /nfs/dbraw/zinc/65/68/32/659656832.db2.gz KZPKUODBRGIYOE-HNNXBMFYSA-N 0 0 308.381 3.395 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H](C)C(F)(F)F)cc1OC ZINC000174951851 659913771 /nfs/dbraw/zinc/91/37/71/659913771.db2.gz RXIORJIBQJHAAA-VIFPVBQESA-N 0 0 304.264 3.368 10 30 DGEERN CO[C@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000175373443 659920229 /nfs/dbraw/zinc/92/02/29/659920229.db2.gz DSCYMSBHAQSSPC-AEFFLSMTSA-N 0 0 309.365 3.300 10 30 DGEERN C#Cc1cccc(NC(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000175453435 659921064 /nfs/dbraw/zinc/92/10/64/659921064.db2.gz AZLATIVMIWEPIB-LLVKDONJSA-N 0 0 300.383 3.393 10 30 DGEERN COc1ccccc1CC(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000180092703 659952634 /nfs/dbraw/zinc/95/26/34/659952634.db2.gz KXXWTJLOJKUGBJ-CYBMUJFWSA-N 0 0 315.394 3.225 10 30 DGEERN COc1cc(OC)c(NCc2ccnc(C#N)c2)cc1Cl ZINC000068751433 659964327 /nfs/dbraw/zinc/96/43/27/659964327.db2.gz INFNVBULHMFGLF-UHFFFAOYSA-N 0 0 303.749 3.236 10 30 DGEERN C=C(Br)CNC(=O)CSc1ccccc1C ZINC000068952760 659970223 /nfs/dbraw/zinc/97/02/23/659970223.db2.gz ZFZYVOASPAIMSD-UHFFFAOYSA-N 0 0 300.221 3.112 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1cccc(F)c1F)c1ccccn1 ZINC000181067234 659978698 /nfs/dbraw/zinc/97/86/98/659978698.db2.gz 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/nfs/dbraw/zinc/02/41/15/660024115.db2.gz UYEQWWKRCBICQZ-UHFFFAOYSA-N 0 0 300.358 3.006 10 30 DGEERN N#CC1(c2ccc(C(=O)Oc3ccc4c(c3)OCO4)cc2)CC1 ZINC000182249099 660039828 /nfs/dbraw/zinc/03/98/28/660039828.db2.gz FHZSWYSDEHCAOQ-UHFFFAOYSA-N 0 0 307.305 3.190 10 30 DGEERN COc1ccc(/C=C/C(=O)c2cc(O)ccc2OC)cc1OC ZINC000182281918 660040790 /nfs/dbraw/zinc/04/07/90/660040790.db2.gz OSHAKZWEQSFXJF-QPJJXVBHSA-N 0 0 314.337 3.314 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000182280490 660040804 /nfs/dbraw/zinc/04/08/04/660040804.db2.gz YDCZJTSISPLJJO-VQHVLOKHSA-N 0 0 320.348 3.483 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1ccc(-n2cccn2)cc1 ZINC000182285058 660041111 /nfs/dbraw/zinc/04/11/11/660041111.db2.gz UIXJOXAHPVDKCU-WEVVVXLNSA-N 0 0 320.348 3.483 10 30 DGEERN C=C(CSc1nc2cc(OCC)ccc2[nH]1)C(=O)OCC ZINC000070380855 660053700 /nfs/dbraw/zinc/05/37/00/660053700.db2.gz HSGYNOWJQDKWRA-UHFFFAOYSA-N 0 0 306.387 3.173 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182978939 660095588 /nfs/dbraw/zinc/09/55/88/660095588.db2.gz VAZAANWLGOOOLE-XJKSGUPXSA-N 0 0 304.434 3.281 10 30 DGEERN C#C[C@@H](C)OC(=O)CCCCOc1ccc(C(=O)CC)cc1 ZINC000182983470 660096969 /nfs/dbraw/zinc/09/69/69/660096969.db2.gz HKXIWVKWZRBVPB-CQSZACIVSA-N 0 0 302.370 3.393 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000183041494 660099761 /nfs/dbraw/zinc/09/97/61/660099761.db2.gz ZNGIBVIDKJZRAM-QGZVFWFLSA-N 0 0 300.354 3.003 10 30 DGEERN N#CC1(COC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCC1 ZINC000183903577 660146426 /nfs/dbraw/zinc/14/64/26/660146426.db2.gz GFSBVZLIFGQMIT-UHFFFAOYSA-N 0 0 323.352 3.465 10 30 DGEERN CC(C)(CC(=O)OCC1(C#N)CCOCC1)c1ccccc1 ZINC000183928999 660148094 /nfs/dbraw/zinc/14/80/94/660148094.db2.gz BRBUAEZOQGMTLB-UHFFFAOYSA-N 0 0 301.386 3.218 10 30 DGEERN CCC(CC)n1nc(C(=O)OCC2(C#N)CCOCC2)cc1C ZINC000183930157 660148137 /nfs/dbraw/zinc/14/81/37/660148137.db2.gz QKHLSZZAWIHHTF-UHFFFAOYSA-N 0 0 319.405 3.030 10 30 DGEERN CC#CCCCCOC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000183939494 660148651 /nfs/dbraw/zinc/14/86/51/660148651.db2.gz VXLWGZLIHZOMCE-SFHVURJKSA-N 0 0 315.413 3.299 10 30 DGEERN CSCc1cc(C(=O)OCC2(C#N)CCOCC2)ccc1F ZINC000183956431 660149640 /nfs/dbraw/zinc/14/96/40/660149640.db2.gz SHMRQURFNFROTA-UHFFFAOYSA-N 0 0 323.389 3.166 10 30 DGEERN Cc1cccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)n1 ZINC000184337843 660163985 /nfs/dbraw/zinc/16/39/85/660163985.db2.gz ZUCMBOCEIBPIDW-CYBMUJFWSA-N 0 0 310.357 3.003 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(-n2cccn2)cc1 ZINC000187511014 661733711 /nfs/dbraw/zinc/73/37/11/661733711.db2.gz WQRMHIUYTRWBCS-GOSISDBHSA-N 0 0 314.385 3.258 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)CSC(C)(C)C ZINC000074500440 661742979 /nfs/dbraw/zinc/74/29/79/661742979.db2.gz VWLKABPDRISIHA-UHFFFAOYSA-N 0 0 320.458 3.065 10 30 DGEERN C#CCN(C(=O)c1cccnc1OCC(C)C)C1CCCC1 ZINC000155645859 661850120 /nfs/dbraw/zinc/85/01/20/661850120.db2.gz CJHFVSOMKAKXFO-UHFFFAOYSA-N 0 0 300.402 3.134 10 30 DGEERN COc1c(F)cc(NCc2cnc3ccc(C#N)cn23)cc1F ZINC000157089770 661865770 /nfs/dbraw/zinc/86/57/70/661865770.db2.gz LVDFFJMFGXBAKM-UHFFFAOYSA-N 0 0 314.295 3.105 10 30 DGEERN COc1ccc2c(CC(=O)[C@H](C#N)c3ccccn3)coc2c1 ZINC000046705942 661870071 /nfs/dbraw/zinc/87/00/71/661870071.db2.gz QTIWMRWFTOGNAR-OAHLLOKOSA-N 0 0 306.321 3.255 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cccc(NC(=O)CC)c1 ZINC000187554012 661886536 /nfs/dbraw/zinc/88/65/36/661886536.db2.gz RINBDCNNEHHTBX-SFHVURJKSA-N 0 0 319.401 3.421 10 30 DGEERN C=C[C@H](C)OC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000187555965 661887402 /nfs/dbraw/zinc/88/74/02/661887402.db2.gz XKCCVRBMCDFWRP-QMMMGPOBSA-N 0 0 301.264 3.395 10 30 DGEERN C=CCc1ccccc1OC(=O)Cn1ccc(=O)c2ccccc21 ZINC000159715424 661894016 /nfs/dbraw/zinc/89/40/16/661894016.db2.gz SBQYFPQPIOVCSF-UHFFFAOYSA-N 0 0 319.360 3.336 10 30 DGEERN N#Cc1ccc(COc2ccc(Br)nc2)cc1F ZINC000188186023 661919600 /nfs/dbraw/zinc/91/96/00/661919600.db2.gz CDCGFTNVZKWARG-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000075398623 661928751 /nfs/dbraw/zinc/92/87/51/661928751.db2.gz XLXHEPIUMBBJDY-HUUCEWRRSA-N 0 0 306.192 3.192 10 30 DGEERN C#CCOc1cccc(COC(=O)Cc2cccc(COC)c2)c1 ZINC000188855330 661949069 /nfs/dbraw/zinc/94/90/69/661949069.db2.gz ZDMNZVMHDFVSCF-UHFFFAOYSA-N 0 0 324.376 3.131 10 30 DGEERN C#CCN(Cc1noc(-c2ccc(F)cc2F)n1)C1CCCC1 ZINC000189079296 661961577 /nfs/dbraw/zinc/96/15/77/661961577.db2.gz RNBIQJHARDFDEJ-UHFFFAOYSA-N 0 0 317.339 3.393 10 30 DGEERN C=CC[C@H](OC(=O)c1cc(OC(F)F)n(C)n1)c1ccccc1 ZINC000189228293 661969542 /nfs/dbraw/zinc/96/95/42/661969542.db2.gz NDMDIUSKXMVPMK-ZDUSSCGKSA-N 0 0 322.311 3.496 10 30 DGEERN COc1ccc(CCC(=O)OCC#Cc2ccccc2)cc1OC ZINC000076923479 662013312 /nfs/dbraw/zinc/01/33/12/662013312.db2.gz JDTXDRWKKCDGRE-UHFFFAOYSA-N 0 0 324.376 3.231 10 30 DGEERN CCOC(=O)c1cccc(OC(=O)c2cccc(CC#N)c2)c1 ZINC000077926109 662046528 /nfs/dbraw/zinc/04/65/28/662046528.db2.gz UJFLRVFEOMAUQN-UHFFFAOYSA-N 0 0 309.321 3.149 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000191144811 662055230 /nfs/dbraw/zinc/05/52/30/662055230.db2.gz RHOUVIUXBNLYOX-JHTBKMLMSA-N 0 0 318.369 3.201 10 30 DGEERN C#CCCCC(=O)O[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000191276940 662058161 /nfs/dbraw/zinc/05/81/61/662058161.db2.gz GDZIZQXQIPHCRG-ZIAGYGMSSA-N 0 0 309.406 3.027 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1nccn1-c1ccccc1 ZINC000191336824 662060441 /nfs/dbraw/zinc/06/04/41/662060441.db2.gz YVKAUXFCXJZTJL-CSKARUKUSA-N 0 0 320.348 3.483 10 30 DGEERN Cn1c2ccc(/C=C3/COc4ccccc4C3=O)cc2sc1=O ZINC000191491633 662069152 /nfs/dbraw/zinc/06/91/52/662069152.db2.gz KPMUKOBKZWXDJK-WQLSENKSSA-N 0 0 323.373 3.259 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Oc1ccc(/C=C\C(=O)OC)cc1OC ZINC000191822005 662081314 /nfs/dbraw/zinc/08/13/14/662081314.db2.gz VWUIXPQQEUIBOR-FYGXRCCRSA-N 0 0 318.369 3.389 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OCc1nccn1-c1ccccc1 ZINC000192174035 662090170 /nfs/dbraw/zinc/09/01/70/662090170.db2.gz WZVMVEQZJUKBHF-SFHVURJKSA-N 0 0 314.385 3.144 10 30 DGEERN CC(C)CCO[C@H](C)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079220022 662104660 /nfs/dbraw/zinc/10/46/60/662104660.db2.gz SCCPWLWWSLHDTC-WBVHZDCISA-N 0 0 303.402 3.363 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000192688429 662108279 /nfs/dbraw/zinc/10/82/79/662108279.db2.gz PSARNMKHNLNHFQ-HSBSLETESA-N 0 0 308.303 3.372 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC ZINC000194096928 662157068 /nfs/dbraw/zinc/15/70/68/662157068.db2.gz SWBXCMNBVZKJNG-CYBMUJFWSA-N 0 0 316.401 3.111 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000081323819 662164926 /nfs/dbraw/zinc/16/49/26/662164926.db2.gz RSJHGQLCQUSNKB-CQSZACIVSA-N 0 0 323.348 3.496 10 30 DGEERN CCc1nc(C)c([C@@H](C)OC(=O)c2cc(C#N)cn2C)s1 ZINC000081548080 662169129 /nfs/dbraw/zinc/16/91/29/662169129.db2.gz YKWNANCERDHURD-SNVBAGLBSA-N 0 0 303.387 3.142 10 30 DGEERN O=C(C#Cc1ccccc1)NCc1ccccc1OC1CCC1 ZINC000081761093 662172625 /nfs/dbraw/zinc/17/26/25/662172625.db2.gz ZXVROIJPCKRXDV-UHFFFAOYSA-N 0 0 305.377 3.286 10 30 DGEERN CCCCCCCCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000195046940 662176886 /nfs/dbraw/zinc/17/68/86/662176886.db2.gz MXEAPPUEKMTUHJ-UHFFFAOYSA-N 0 0 318.465 3.266 10 30 DGEERN C=CCOc1ccccc1C(=O)OCc1ccc2c(c1)OCO2 ZINC000195580479 662191846 /nfs/dbraw/zinc/19/18/46/662191846.db2.gz LCOMSOKWRMNGFG-UHFFFAOYSA-N 0 0 312.321 3.337 10 30 DGEERN CCO/C=C(\C(C)=O)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000083304619 662194745 /nfs/dbraw/zinc/19/47/45/662194745.db2.gz RWUPHEZYQFXGSR-RMKNXTFCSA-N 0 0 321.682 3.446 10 30 DGEERN CCO[C@@H]1C[C@@H](OC(=O)c2cc(C#N)cn2C)C12CCCCC2 ZINC000083770012 662196285 /nfs/dbraw/zinc/19/62/85/662196285.db2.gz IVBLXJFACRYJPT-HZPDHXFCSA-N 0 0 316.401 3.181 10 30 DGEERN CCCCO[C@H]1C[C@H](OC(=O)c2cc(C#N)cn2C)C1(C)C ZINC000083780580 662196589 /nfs/dbraw/zinc/19/65/89/662196589.db2.gz FXXFIAKRTXOJBT-GJZGRUSLSA-N 0 0 304.390 3.037 10 30 DGEERN CCO[C@H]1C[C@@H](OC(=O)c2cc(C#N)cn2C)C1(CC)CC ZINC000083780682 662196613 /nfs/dbraw/zinc/19/66/13/662196613.db2.gz OVHVKYXVOBBKJK-LSDHHAIUSA-N 0 0 304.390 3.037 10 30 DGEERN C#CC[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000245424847 662232763 /nfs/dbraw/zinc/23/27/63/662232763.db2.gz DBKRSAPWKMRXOV-ZNMIVQPWSA-N 0 0 323.433 3.271 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245573005 662236631 /nfs/dbraw/zinc/23/66/31/662236631.db2.gz ZSLYKVVOQVPFSG-BRWVUGGUSA-N 0 0 311.381 3.371 10 30 DGEERN N#C[C@@H](COC(=O)CCC1CCOCC1)Cc1cccs1 ZINC000089293356 662241099 /nfs/dbraw/zinc/24/10/99/662241099.db2.gz DWTPASNARRYBBR-AWEZNQCLSA-N 0 0 307.415 3.180 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000089311566 662241232 /nfs/dbraw/zinc/24/12/32/662241232.db2.gz SYKQEVQUKSHOHG-GFCCVEGCSA-N 0 0 305.349 3.464 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000089318951 662241778 /nfs/dbraw/zinc/24/17/78/662241778.db2.gz VKLRITKSBSBYQJ-RDTXWAMCSA-N 0 0 315.413 3.420 10 30 DGEERN N#CCOc1cccc(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000089770045 662247755 /nfs/dbraw/zinc/24/77/55/662247755.db2.gz XPECGPVHNWNDRM-IEBWSBKVSA-N 0 0 320.392 3.051 10 30 DGEERN COc1ccc(COCCCC(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000089966725 662251130 /nfs/dbraw/zinc/25/11/30/662251130.db2.gz UEVZFEAMTRBDIH-KRWDZBQOSA-N 0 0 324.380 3.263 10 30 DGEERN N#C[C@H](COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000246403908 662258062 /nfs/dbraw/zinc/25/80/62/662258062.db2.gz DLHOJSSUGADPIB-SIXLDLHFSA-N 0 0 301.361 3.487 10 30 DGEERN C[C@@H]1CC[C@H](CCC(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)O1 ZINC000246478594 662261443 /nfs/dbraw/zinc/26/14/43/662261443.db2.gz CCSBXDCUAQVIGG-FRFSOERESA-N 0 0 319.376 3.399 10 30 DGEERN CC#CCOC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000091112433 662293994 /nfs/dbraw/zinc/29/39/94/662293994.db2.gz RJWNRRMZSTVZOM-UHFFFAOYSA-N 0 0 301.367 3.141 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000065501055 685055507 /nfs/dbraw/zinc/05/55/07/685055507.db2.gz RVWMLDGBAAATJK-HNNXBMFYSA-N 0 0 315.319 3.433 10 30 DGEERN CC(=O)C1CCN(c2cccc(Br)c2C#N)CC1 ZINC000168838234 685102220 /nfs/dbraw/zinc/10/22/20/685102220.db2.gz GISMYZZFVQHXGN-UHFFFAOYSA-N 0 0 307.191 3.126 10 30 DGEERN N#CC1(c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2)CC1 ZINC000180689540 685111931 /nfs/dbraw/zinc/11/19/31/685111931.db2.gz JLKHAFHXGXWGMG-UHFFFAOYSA-N 0 0 320.348 3.037 10 30 DGEERN C=CC[C@@H](OC(=O)CC1(CS(C)(=O)=O)CC1)c1ccccc1 ZINC000189237114 685115233 /nfs/dbraw/zinc/11/52/33/685115233.db2.gz XNPQNKMUUUEZPQ-OAHLLOKOSA-N 0 0 322.426 3.062 10 30 DGEERN C=CCN(CC(=O)OCC)Cc1ccsc1Br ZINC000388973702 685191545 /nfs/dbraw/zinc/19/15/45/685191545.db2.gz DHEMKTPSTMFOSD-UHFFFAOYSA-N 0 0 318.236 3.062 10 30 DGEERN N#Cc1ccc(Br)cc1OCCCc1cnoc1 ZINC000308087785 1176259077 /nfs/dbraw/zinc/25/90/77/1176259077.db2.gz QJUPJQHNBXHIAE-UHFFFAOYSA-N 0 0 307.147 3.320 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(O)c(Cl)c1 ZINC000043479763 1194219819 /nfs/dbraw/zinc/21/98/19/1194219819.db2.gz HBVGUJQCZSMBDW-UHFFFAOYSA-N 0 0 303.705 3.438 10 30 DGEERN C=CCOCCCC(=O)NCc1nc(-c2ccccc2)cs1 ZINC000079631642 1196974442 /nfs/dbraw/zinc/97/44/42/1196974442.db2.gz VFUJCHHQJFQNIE-UHFFFAOYSA-N 0 0 316.426 3.409 10 30 DGEERN C[C@@H](Cc1ccsc1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000081598036 1197237573 /nfs/dbraw/zinc/23/75/73/1197237573.db2.gz CCLXMTLILZGYDJ-ZDUSSCGKSA-N 0 0 313.426 3.121 10 30 DGEERN Cc1cc(C(=O)N2CCC(C#N)CC2)sc1Br ZINC000094494425 1198789113 /nfs/dbraw/zinc/78/91/13/1198789113.db2.gz RCLUKFRBBXXQOB-UHFFFAOYSA-N 0 0 313.220 3.195 10 30 DGEERN C[C@@H](O)C[C@@H]1CCCN1c1cc(Br)ccc1C#N ZINC000310627549 1199722365 /nfs/dbraw/zinc/72/23/65/1199722365.db2.gz LAMSNUSEIMOTBB-MFKMUULPSA-N 0 0 309.207 3.060 10 30 DGEERN CCOCCN(CC)c1cc(Br)c(C#N)cc1F ZINC000310623379 1199722376 /nfs/dbraw/zinc/72/23/76/1199722376.db2.gz INTBCHWHJHIDHV-UHFFFAOYSA-N 0 0 315.186 3.323 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1ccc(Cl)nc1C ZINC000312589849 1199752927 /nfs/dbraw/zinc/75/29/27/1199752927.db2.gz DMCVAPUDLJGZJG-UHFFFAOYSA-N 0 0 316.854 3.458 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1cc2c(s1)CCCCCC2 ZINC000321198866 1199851370 /nfs/dbraw/zinc/85/13/70/1199851370.db2.gz GMRONRWPVGCAAK-CQSZACIVSA-N 0 0 307.459 3.464 10 30 DGEERN C[C@H]1CN(c2cc(Br)ccc2C#N)CC(C)(C)O1 ZINC000123225874 1200276140 /nfs/dbraw/zinc/27/61/40/1200276140.db2.gz KTYQTAPQTJSEEY-JTQLQIEISA-N 0 0 309.207 3.324 10 30 DGEERN C=C(C)CNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000122674841 1200270786 /nfs/dbraw/zinc/27/07/86/1200270786.db2.gz OZVNJXYGGKIKFA-UHFFFAOYSA-N 0 0 308.230 3.465 10 30 DGEERN N#Cc1ccc(Cl)cc1NCCN1C(=O)Cc2ccccc21 ZINC000122769471 1200271285 /nfs/dbraw/zinc/27/12/85/1200271285.db2.gz YGZUMJSFVBYVLI-UHFFFAOYSA-N 0 0 311.772 3.213 10 30 DGEERN CN(Cc1ccncc1)c1cc(Br)ccc1C#N ZINC000123120249 1200273229 /nfs/dbraw/zinc/27/32/29/1200273229.db2.gz FVQDIGFAPLXDIO-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN C[C@@H](Cn1cccn1)Nc1cc(Br)ccc1C#N ZINC000123153275 1200275782 /nfs/dbraw/zinc/27/57/82/1200275782.db2.gz IRYBRGGLSMDTFM-JTQLQIEISA-N 0 0 305.179 3.018 10 30 DGEERN C#Cc1cccc(NC(=O)c2cc(Br)ccc2N)c1 ZINC000123640309 1200281578 /nfs/dbraw/zinc/28/15/78/1200281578.db2.gz MEUUGGZRFLPJEA-UHFFFAOYSA-N 0 0 315.170 3.265 10 30 DGEERN C=CCOc1ccccc1CNC(=O)C(C)(C)CCC(C)=O ZINC000155019980 1202598372 /nfs/dbraw/zinc/59/83/72/1202598372.db2.gz QKTXBZRXSOOHMZ-UHFFFAOYSA-N 0 0 303.402 3.263 10 30 DGEERN C#CCSCCNc1ccc(C#N)c(Br)c1F ZINC000231948081 1202600494 /nfs/dbraw/zinc/60/04/94/1202600494.db2.gz XDORZNJQAMWRQS-UHFFFAOYSA-N 0 0 313.195 3.238 10 30 DGEERN C[C@H](Nc1cc(Br)ccc1C#N)c1ccnn1C ZINC000235552294 1202604515 /nfs/dbraw/zinc/60/45/15/1202604515.db2.gz NJWCRPULSAYPTE-VIFPVBQESA-N 0 0 305.179 3.227 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1ccc(O)cc1F ZINC000163455472 1203568275 /nfs/dbraw/zinc/56/82/75/1203568275.db2.gz NIQKVXRNIOJNTJ-UHFFFAOYSA-N 0 0 301.317 3.026 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000246507761 1203743331 /nfs/dbraw/zinc/74/33/31/1203743331.db2.gz SZYWIZXWLFHGBD-MPTQWLOMSA-N 0 0 312.369 3.130 10 30 DGEERN C=CC[C@H](C)NC(=O)c1nc(CCC)n(-c2ccccc2F)n1 ZINC000173801073 1203886076 /nfs/dbraw/zinc/88/60/76/1203886076.db2.gz FAPKVSMLNKJTGF-LBPRGKRZSA-N 0 0 316.380 3.053 10 30 DGEERN C[C@H](Cc1ccsc1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176441468 1203931065 /nfs/dbraw/zinc/93/10/65/1203931065.db2.gz GPDWPRZLJMJHTR-CYBMUJFWSA-N 0 0 313.426 3.121 10 30 DGEERN N#C[C@@H]1CC[C@@H](OC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000179900050 1204324124 /nfs/dbraw/zinc/32/41/24/1204324124.db2.gz WVQCQTBNIBHNMS-IAQYHMDHSA-N 0 0 315.760 3.375 10 30 DGEERN N#CCc1ccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000692435635 976475006 /nfs/dbraw/zinc/47/50/06/976475006.db2.gz CUBPYTJGKOEEJY-UHFFFAOYSA-N 0 0 308.381 3.230 10 30 DGEERN COc1cccc(OC)c1/C=C\C(=O)c1cc(O)ccc1OC ZINC000588409765 1082167771 /nfs/dbraw/zinc/16/77/71/1082167771.db2.gz XYRIDEJFCVBABR-HJWRWDBZSA-N 0 0 314.337 3.314 10 30 DGEERN N#CC1(COC(=O)/C=C\c2ccc(Cl)cc2)CCOCC1 ZINC000588411897 1082175079 /nfs/dbraw/zinc/17/50/79/1082175079.db2.gz IZLYEXJUTXBBEY-UTCJRWHESA-N 0 0 305.761 3.217 10 30 DGEERN COc1ccsc1C(=O)/C=C\c1cnc2ccc(C#N)cn12 ZINC000588489026 1082458589 /nfs/dbraw/zinc/45/85/89/1082458589.db2.gz JLMSCLVMWXWFSL-ARJAWSKDSA-N 0 0 309.350 3.172 10 30 DGEERN C=C[C@H](C)OC(=O)/C=C\c1ccc(I)o1 ZINC000588539626 1082585435 /nfs/dbraw/zinc/58/54/35/1082585435.db2.gz XHNVJMIHSKQSEW-TVSKSKRASA-N 0 0 318.110 3.015 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1csc(Br)n1 ZINC000709591217 1083720136 /nfs/dbraw/zinc/72/01/36/1083720136.db2.gz QEKXXZAKPQUCHV-QMMMGPOBSA-N 0 0 303.225 3.380 10 30 DGEERN C=CCCCC(=O)OC[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000176566629 1087987327 /nfs/dbraw/zinc/98/73/27/1087987327.db2.gz WZSFZEPQUKFCPE-HNNXBMFYSA-N 0 0 319.401 3.340 10 30 DGEERN C=CCCCC(=O)OCCCc1cnc2c(C)c(C)nn2c1 ZINC000176567337 1087990772 /nfs/dbraw/zinc/99/07/72/1087990772.db2.gz RVIFHIGCYJLGNI-UHFFFAOYSA-N 0 0 301.390 3.178 10 30 DGEERN COc1cccc(C#CCOC(=O)c2cc(F)ccc2OC)c1 ZINC000176599091 1088154376 /nfs/dbraw/zinc/15/43/76/1088154376.db2.gz OUCBOTQKMXYLKE-UHFFFAOYSA-N 0 0 314.312 3.051 10 30 DGEERN N#Cc1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000165042286 1092018359 /nfs/dbraw/zinc/01/83/59/1092018359.db2.gz VSBIBSCHDXJFCF-UHFFFAOYSA-N 0 0 303.705 3.438 10 30 DGEERN C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@@H]1CCOC1 ZINC000231848591 1095809102 /nfs/dbraw/zinc/80/91/02/1095809102.db2.gz SIZQEQQREMOUKN-WCBMZHEXSA-N 0 0 313.170 3.297 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000278266256 214056941 /nfs/dbraw/zinc/05/69/41/214056941.db2.gz OMPXNKDVIMZLOF-MRXNPFEDSA-N 0 0 303.402 3.167 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000278273931 214060240 /nfs/dbraw/zinc/06/02/40/214060240.db2.gz AIXGEQFSAPFTHJ-KBPBESRZSA-N 0 0 306.381 3.193 10 30 DGEERN CC(C)CCOCCNc1nc(C(F)(F)F)ccc1C#N ZINC000078835088 185118353 /nfs/dbraw/zinc/11/83/53/185118353.db2.gz ZFEBOYDOTGJMOA-UHFFFAOYSA-N 0 0 301.312 3.447 10 30 DGEERN CC[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000180491085 529380616 /nfs/dbraw/zinc/38/06/16/529380616.db2.gz MUFQTKCMDIMNRT-OAHLLOKOSA-N 0 0 300.427 3.209 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000278696965 214334090 /nfs/dbraw/zinc/33/40/90/214334090.db2.gz JGKNMCANTHGFPG-LLVKDONJSA-N 0 0 303.337 3.094 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128090 432004399 /nfs/dbraw/zinc/00/43/99/432004399.db2.gz GFAHZXGHYGEPRH-CQSZACIVSA-N 0 0 300.402 3.116 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)N[C@@H](CC)CC#N)c2)c1C ZINC000358085699 529492188 /nfs/dbraw/zinc/49/21/88/529492188.db2.gz YNZLLDUHGLAIPX-INIZCTEOSA-N 0 0 324.428 3.474 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC000062888050 432004889 /nfs/dbraw/zinc/00/48/89/432004889.db2.gz IAVPWVSZQDUSSO-UHFFFAOYSA-N 0 0 302.355 3.485 10 30 DGEERN CCc1cc(C)c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)o1 ZINC000160527002 529524854 /nfs/dbraw/zinc/52/48/54/529524854.db2.gz PDVUVOOUCUBEDQ-UHFFFAOYSA-N 0 0 320.352 3.460 10 30 DGEERN COc1ccc(Cn2nc(C)c(Br)c2C)cc1C#N ZINC000087832395 185232606 /nfs/dbraw/zinc/23/26/06/185232606.db2.gz NELBMKVRPUGPJD-UHFFFAOYSA-N 0 0 320.190 3.191 10 30 DGEERN N#Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202664 185286999 /nfs/dbraw/zinc/28/69/99/185286999.db2.gz UHWLQFVCESCQET-MRXNPFEDSA-N 0 0 324.771 3.474 10 30 DGEERN COc1ccc(-c2nc(SC)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000090556999 185303309 /nfs/dbraw/zinc/30/33/09/185303309.db2.gz DEVLJNBIGSGBJF-UHFFFAOYSA-N 0 0 301.327 3.259 10 30 DGEERN N#Cc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)o1 ZINC000092660994 185332204 /nfs/dbraw/zinc/33/22/04/185332204.db2.gz SGQZUNYRCZAAAN-UHFFFAOYSA-N 0 0 300.333 3.334 10 30 DGEERN CCc1nc(C(C)(C)NCc2ccc(C#N)cc2Cl)no1 ZINC000441257413 529714402 /nfs/dbraw/zinc/71/44/02/529714402.db2.gz BFXBGKNSVAQMLU-UHFFFAOYSA-N 0 0 304.781 3.182 10 30 DGEERN Cc1ccc(C#N)cc1NCc1nnc(-c2ccccc2)n1C ZINC000092940355 185350260 /nfs/dbraw/zinc/35/02/60/185350260.db2.gz IZYFNNVPQJQZCD-UHFFFAOYSA-N 0 0 303.369 3.274 10 30 DGEERN CN(OCc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180795161 530032818 /nfs/dbraw/zinc/03/28/18/530032818.db2.gz TXGAPOYYRYFPAJ-UHFFFAOYSA-N 0 0 306.365 3.446 10 30 DGEERN CCC1(CC)CN(c2cc(Cl)ccc2C#N)CC[S@]1=O ZINC000302207710 282379097 /nfs/dbraw/zinc/37/90/97/282379097.db2.gz ALWSVZXSXRIJQH-FQEVSTJZSA-N 0 0 310.850 3.339 10 30 DGEERN C#CCC(CC#C)C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000277760615 213746782 /nfs/dbraw/zinc/74/67/82/213746782.db2.gz SDURQMUEWRXKIK-FQEVSTJZSA-N 0 0 323.436 3.250 10 30 DGEERN CC(C)(C)CN(CCC#N)C(=O)c1coc(Br)c1 ZINC000104627121 432017049 /nfs/dbraw/zinc/01/70/49/432017049.db2.gz GRRBMYTXKLCRCL-UHFFFAOYSA-N 0 0 313.195 3.444 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000106633581 432021427 /nfs/dbraw/zinc/02/14/27/432021427.db2.gz IBCIPLNBFAFZSR-QZTJIDSGSA-N 0 0 306.365 3.333 10 30 DGEERN CC(C)Oc1ccc(F)cc1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000066826938 432022051 /nfs/dbraw/zinc/02/20/51/432022051.db2.gz QUDDJAFOYVFGND-QGZVFWFLSA-N 0 0 321.396 3.079 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)o1 ZINC000133635534 186001934 /nfs/dbraw/zinc/00/19/34/186001934.db2.gz XLXPUCAEMQQDRG-ZDUSSCGKSA-N 0 0 312.369 3.495 10 30 DGEERN N#Cc1cc(Br)ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000130453340 432025898 /nfs/dbraw/zinc/02/58/98/432025898.db2.gz DLMLYKVLUGXZGE-HZMBPMFUSA-N 0 0 309.207 3.284 10 30 DGEERN CC(C)c1nnc2n1C[C@H](Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000171887545 198000818 /nfs/dbraw/zinc/00/08/18/198000818.db2.gz XSFGERLXWWFBLI-CYBMUJFWSA-N 0 0 315.808 3.353 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000172554336 198114930 /nfs/dbraw/zinc/11/49/30/198114930.db2.gz QULSBIPLNWCAPU-AEFFLSMTSA-N 0 0 314.429 3.021 10 30 DGEERN COc1ccccc1C[C@@H](C)CC(=O)NC1(C#N)CCCC1 ZINC000107249383 432029378 /nfs/dbraw/zinc/02/93/78/432029378.db2.gz YNSWYHIYFLMQLM-CQSZACIVSA-N 0 0 300.402 3.216 10 30 DGEERN C=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S ZINC000000425133 180785789 /nfs/dbraw/zinc/78/57/89/180785789.db2.gz RREUUUONYCBUAM-UHFFFAOYSA-N 0 0 321.427 3.308 10 30 DGEERN C=CCOCCCC(=O)Oc1ccc(F)cc1Br ZINC000173138492 198187965 /nfs/dbraw/zinc/18/79/65/198187965.db2.gz QGAQDHARIMWIDA-UHFFFAOYSA-N 0 0 317.154 3.476 10 30 DGEERN Cc1ccccc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000001756061 180895128 /nfs/dbraw/zinc/89/51/28/180895128.db2.gz YTMLAHVESOYMAZ-WQRHYEAKSA-N 0 0 324.409 3.336 10 30 DGEERN C=C(Br)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000174248147 198309959 /nfs/dbraw/zinc/30/99/59/198309959.db2.gz GHCPTOVNENHMPZ-UHFFFAOYSA-N 0 0 312.211 3.215 10 30 DGEERN Fc1ccc(/C=N/NC(=S)NCCc2ccccc2)cc1F ZINC000003530003 181030766 /nfs/dbraw/zinc/03/07/66/181030766.db2.gz IWPSAYWTXWFNIA-RGVLZGJSSA-N 0 0 319.380 3.006 10 30 DGEERN S=C(N/N=C/c1ccccc1Cl)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322180 181098164 /nfs/dbraw/zinc/09/81/64/181098164.db2.gz MZMUFDZSLYLRJO-QYSXOAPCSA-N 0 0 305.834 3.103 10 30 DGEERN N#Cc1c(Cl)nsc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000264438735 283074597 /nfs/dbraw/zinc/07/45/97/283074597.db2.gz WJRYPIBBQUDTLA-SNVBAGLBSA-N 0 0 304.806 3.359 10 30 DGEERN N#Cc1c(N)sc2c1CCN(c1ccc(Cl)cc1C#N)C2 ZINC000301527910 283078595 /nfs/dbraw/zinc/07/85/95/283078595.db2.gz OAUZFMJRGMTBBQ-UHFFFAOYSA-N 0 0 314.801 3.290 10 30 DGEERN N#Cc1c(=O)n2c(nc1-c1ccccc1Cl)SCCCC2 ZINC000005607362 181263088 /nfs/dbraw/zinc/26/30/88/181263088.db2.gz RYHJOVMHBJADSO-UHFFFAOYSA-N 0 0 317.801 3.321 10 30 DGEERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3ccccc3C#N)CCO2)o1 ZINC000179338241 432054711 /nfs/dbraw/zinc/05/47/11/432054711.db2.gz LJCFLGLJZXDRIU-PDFOZTTASA-N 0 0 322.364 3.073 10 30 DGEERN CC1(C)CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451444698 535300633 /nfs/dbraw/zinc/30/06/33/535300633.db2.gz FMNAEZVNIWKZOJ-OAHLLOKOSA-N 0 0 324.421 3.086 10 30 DGEERN Cc1cnc(CCN(C)C(=O)Nc2cccc(C#N)c2C)s1 ZINC000179416643 432057699 /nfs/dbraw/zinc/05/76/99/432057699.db2.gz GKLNJOACJUTRBQ-UHFFFAOYSA-N 0 0 314.414 3.338 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(C#N)cn1C ZINC000081548583 192289742 /nfs/dbraw/zinc/28/97/42/192289742.db2.gz FWHNKNVPJFONRE-JKIFEVAISA-N 0 0 307.397 3.303 10 30 DGEERN CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccccc1 ZINC000179533408 432061985 /nfs/dbraw/zinc/06/19/85/432061985.db2.gz YMKQEUOLMIYXLS-UHFFFAOYSA-N 0 0 304.353 3.109 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000169071298 432070675 /nfs/dbraw/zinc/07/06/75/432070675.db2.gz XECJWSSGIUVRKL-YJBOKZPZSA-N 0 0 313.401 3.026 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000133856000 432071603 /nfs/dbraw/zinc/07/16/03/432071603.db2.gz USOHJWRHJLXKEQ-UHFFFAOYSA-N 0 0 303.365 3.321 10 30 DGEERN N#Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000179861212 432073094 /nfs/dbraw/zinc/07/30/94/432073094.db2.gz VSTFWQNZRNTNEK-UHFFFAOYSA-N 0 0 302.337 3.055 10 30 DGEERN COc1ccc(CS[C@H]2CCCN(C(C)C)C2=O)cc1C#N ZINC000179514627 199048721 /nfs/dbraw/zinc/04/87/21/199048721.db2.gz MYRLLFDOLOCHHU-INIZCTEOSA-N 0 0 318.442 3.199 10 30 DGEERN C#CCCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000179794663 199081334 /nfs/dbraw/zinc/08/13/34/199081334.db2.gz PEJYPTBLGWQMFQ-INIZCTEOSA-N 0 0 305.805 3.434 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC000179802488 199082605 /nfs/dbraw/zinc/08/26/05/199082605.db2.gz APQVAUKYLWXIEQ-NSHDSACASA-N 0 0 316.323 3.449 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)CCC1 ZINC000189510211 200414310 /nfs/dbraw/zinc/41/43/10/200414310.db2.gz JBMORWDTSHKNIP-QGZVFWFLSA-N 0 0 315.413 3.342 10 30 DGEERN CC(C)(CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000180576565 432091392 /nfs/dbraw/zinc/09/13/92/432091392.db2.gz OIPXQKSGPHMXRE-UHFFFAOYSA-N 0 0 319.408 3.344 10 30 DGEERN C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](O)c4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000006067758 181309890 /nfs/dbraw/zinc/30/98/90/181309890.db2.gz XFBUZQAUNLRYCT-VTPPTGSRSA-N 0 0 312.409 3.104 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c[nH]1 ZINC000435734890 238342202 /nfs/dbraw/zinc/34/22/02/238342202.db2.gz IHUITYSDQDDFMW-ZWKOTPCHSA-N 0 0 301.349 3.325 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)ccc1Br ZINC000436016551 238383183 /nfs/dbraw/zinc/38/31/83/238383183.db2.gz LARDLIPGKSVPAW-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN Cc1nc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)cc1C#N ZINC000292731918 223222953 /nfs/dbraw/zinc/22/29/53/223222953.db2.gz UPBVNUVKURADQQ-CJNGLKHVSA-N 0 0 305.809 3.047 10 30 DGEERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000193373759 201041712 /nfs/dbraw/zinc/04/17/12/201041712.db2.gz OQEGNZXRTJMIKR-SFHVURJKSA-N 0 0 307.397 3.355 10 30 DGEERN COc1cc(C)c([C@H](C)OC(=O)c2ccnc(C#N)c2)cc1C ZINC000193712213 201108245 /nfs/dbraw/zinc/10/82/45/201108245.db2.gz KBXLHKOURNFCCD-ZDUSSCGKSA-N 0 0 310.353 3.497 10 30 DGEERN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000195110318 201341130 /nfs/dbraw/zinc/34/11/30/201341130.db2.gz MXMKLJKRXYWRGJ-SFHVURJKSA-N 0 0 321.380 3.329 10 30 DGEERN C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000070549232 283737705 /nfs/dbraw/zinc/73/77/05/283737705.db2.gz IFKXKJGATVUECE-KGLIPLIRSA-N 0 0 306.431 3.053 10 30 DGEERN COc1ccc(CN2CCO[C@H](c3cccs3)C2)cc1C#N ZINC000135152411 432103034 /nfs/dbraw/zinc/10/30/34/432103034.db2.gz QCCRZNVYAHLJGA-INIZCTEOSA-N 0 0 314.410 3.202 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CCCS(C)(=O)=O ZINC000189906620 432103087 /nfs/dbraw/zinc/10/30/87/432103087.db2.gz SWEYRNLEUYMMOV-UHFFFAOYSA-N 0 0 323.458 3.302 10 30 DGEERN COc1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1C#N ZINC000135152435 432103312 /nfs/dbraw/zinc/10/33/12/432103312.db2.gz QCCRZNVYAHLJGA-MRXNPFEDSA-N 0 0 314.410 3.202 10 30 DGEERN CCCCCCOc1ccc(/C=N/NC(=S)NC)cc1OC ZINC000006756371 181383980 /nfs/dbraw/zinc/38/39/80/181383980.db2.gz XIBDDFOXLTXZIP-LDADJPATSA-N 0 0 323.462 3.082 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1ccnc(OC(F)F)c1 ZINC000450482016 240730346 /nfs/dbraw/zinc/73/03/46/240730346.db2.gz CAUNYIISKBYIKI-UHFFFAOYSA-N 0 0 322.311 3.147 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000451359739 241093259 /nfs/dbraw/zinc/09/32/59/241093259.db2.gz JGZSRDKQYYGIQY-ZFWWWQNUSA-N 0 0 311.360 3.102 10 30 DGEERN C=CCOc1ccc(CNC(=O)CCCc2ncc(C)o2)cc1 ZINC000451659000 241203064 /nfs/dbraw/zinc/20/30/64/241203064.db2.gz CACHPBQLXBQTLW-UHFFFAOYSA-N 0 0 314.385 3.187 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC000451676335 241203642 /nfs/dbraw/zinc/20/36/42/241203642.db2.gz FCXIWBHIXZKZNE-FQEVSTJZSA-N 0 0 321.424 3.481 10 30 DGEERN N#CCCOCC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451563718 241175423 /nfs/dbraw/zinc/17/54/23/241175423.db2.gz FFPLCVNGFRYNMB-CQSZACIVSA-N 0 0 323.234 3.169 10 30 DGEERN Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCC(C#N)CC1 ZINC000451449246 241126577 /nfs/dbraw/zinc/12/65/77/241126577.db2.gz WUQHLHQWSXVXFE-UHFFFAOYSA-N 0 0 322.412 3.147 10 30 DGEERN C=CC(C)(C)CNS(=O)(=O)Cc1ccc2ccccc2c1 ZINC000451810096 241243585 /nfs/dbraw/zinc/24/35/85/241243585.db2.gz KPKBPBNNRFVDGK-UHFFFAOYSA-N 0 0 303.427 3.471 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451828715 241249658 /nfs/dbraw/zinc/24/96/58/241249658.db2.gz BLNFSKCDGHDTPZ-NVXWUHKLSA-N 0 0 314.429 3.396 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189981293 432109638 /nfs/dbraw/zinc/10/96/38/432109638.db2.gz UTBATUJGJNPNQY-UHFFFAOYSA-N 0 0 321.364 3.378 10 30 DGEERN COc1ccc([C@@H](NC(=O)c2cc(C#N)cn2C)C(C)C)cc1 ZINC000080971510 283906706 /nfs/dbraw/zinc/90/67/06/283906706.db2.gz VPXVHNUGYFFESW-KRWDZBQOSA-N 0 0 311.385 3.032 10 30 DGEERN Cn1c(C#N)ccc1-c1nc([C@H]2CCCc3ccccc32)no1 ZINC000453050452 241603272 /nfs/dbraw/zinc/60/32/72/241603272.db2.gz SIJQCELTHOKQJT-HNNXBMFYSA-N 0 0 304.353 3.415 10 30 DGEERN C=C(C)Cn1c(N2CCC(=C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453461257 241795023 /nfs/dbraw/zinc/79/50/23/241795023.db2.gz GBYCDSMYWYJQNB-QGZVFWFLSA-N 0 0 302.422 3.036 10 30 DGEERN C=C(C)CCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000453869256 241855954 /nfs/dbraw/zinc/85/59/54/241855954.db2.gz CEVWWNVKEUBJAV-UHFFFAOYSA-N 0 0 316.735 3.299 10 30 DGEERN C=C(C)CCNC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000454878769 242054435 /nfs/dbraw/zinc/05/44/35/242054435.db2.gz XDZBLSODVXZYMW-UHFFFAOYSA-N 0 0 301.434 3.168 10 30 DGEERN C=CCCOCCNC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454725317 242019757 /nfs/dbraw/zinc/01/97/57/242019757.db2.gz YBGLQVIYNYNGPU-INIZCTEOSA-N 0 0 324.371 3.404 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000455289906 242160346 /nfs/dbraw/zinc/16/03/46/242160346.db2.gz GYJBYPXRXKIKKC-UHFFFAOYSA-N 0 0 315.402 3.082 10 30 DGEERN C=C(C)CCNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000455331428 242171793 /nfs/dbraw/zinc/17/17/93/242171793.db2.gz WWLMNAITAOJZMH-UHFFFAOYSA-N 0 0 323.387 3.153 10 30 DGEERN C=C(C)CCNC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000455362029 242180485 /nfs/dbraw/zinc/18/04/85/242180485.db2.gz JZEUGBRUYCJFRE-UHFFFAOYSA-N 0 0 308.378 3.109 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H](CC)[C@@H](O)C(F)F ZINC000455381781 242185797 /nfs/dbraw/zinc/18/57/97/242185797.db2.gz KBKKUQPCZNXELY-GXTWGEPZSA-N 0 0 312.360 3.331 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](CO)[C@@H]1CC ZINC000455384088 242186644 /nfs/dbraw/zinc/18/66/44/242186644.db2.gz NPXGUVOJIVUHEW-WBVHZDCISA-N 0 0 302.418 3.430 10 30 DGEERN C=C(CC)CNC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000455517240 242223047 /nfs/dbraw/zinc/22/30/47/242223047.db2.gz DVCMOLPQCJURSO-BBRMVZONSA-N 0 0 306.381 3.263 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC(=O)c1ccc(C)cc1 ZINC000456267702 242395512 /nfs/dbraw/zinc/39/55/12/242395512.db2.gz RSWGAIQYIDNPMG-AEFFLSMTSA-N 0 0 315.413 3.198 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000456271962 242396651 /nfs/dbraw/zinc/39/66/51/242396651.db2.gz YEHXDAFAXRGYRH-CVEARBPZSA-N 0 0 309.356 3.137 10 30 DGEERN C=CCC1(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)CCCC1 ZINC000456516908 242478233 /nfs/dbraw/zinc/47/82/33/242478233.db2.gz ZWQFTOKKGAMUNU-ZDUSSCGKSA-N 0 0 318.383 3.266 10 30 DGEERN CCc1ccc([C@H]2CCCCN2S(=O)(=O)CC2(C#N)CC2)o1 ZINC000165667535 288567134 /nfs/dbraw/zinc/56/71/34/288567134.db2.gz WXADILSTJMHRIK-CQSZACIVSA-N 0 0 322.430 3.003 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccccc3N3CCCC3)n2c1 ZINC000092140364 193167406 /nfs/dbraw/zinc/16/74/06/193167406.db2.gz CSTPUNRESYBWQD-UHFFFAOYSA-N 0 0 317.396 3.418 10 30 DGEERN C[C@@H](NC(=O)c1sccc1C#N)c1ccccc1-n1cccn1 ZINC000153519253 296109415 /nfs/dbraw/zinc/10/94/15/296109415.db2.gz BMLSXDUNAOZQRP-GFCCVEGCSA-N 0 0 322.393 3.296 10 30 DGEERN COC(=O)c1cc(C)cc(C(=O)N(CCC#N)CCC(C)C)c1 ZINC000457513152 242788380 /nfs/dbraw/zinc/78/83/80/242788380.db2.gz AIPBEEIJAFVSLZ-UHFFFAOYSA-N 0 0 316.401 3.184 10 30 DGEERN C=C(C)COc1cccc(NC(=O)CCCCC(=O)OC)c1 ZINC000275220377 212203999 /nfs/dbraw/zinc/20/39/99/212203999.db2.gz CYQFSSWPLJACKO-UHFFFAOYSA-N 0 0 305.374 3.313 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000458329116 243033089 /nfs/dbraw/zinc/03/30/89/243033089.db2.gz YJVKAQCGBVXZHW-ZDUSSCGKSA-N 0 0 306.381 3.203 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000458731711 243142003 /nfs/dbraw/zinc/14/20/03/243142003.db2.gz LWWPGCZJBCNSLD-GBESFXJTSA-N 0 0 324.424 3.322 10 30 DGEERN CC(C)(CC#N)CNC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000459242557 243297761 /nfs/dbraw/zinc/29/77/61/243297761.db2.gz RWTUXAHRLWSWAS-UHFFFAOYSA-N 0 0 323.799 3.487 10 30 DGEERN C[C@H]1CN(C(=O)NCC(C)(C)CC#N)C[C@H](c2ccccc2)O1 ZINC000459261644 243305023 /nfs/dbraw/zinc/30/50/23/243305023.db2.gz SCWVLMJFBIVFME-GOEBONIOSA-N 0 0 315.417 3.098 10 30 DGEERN C=CC[C@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 ZINC000275140805 212145776 /nfs/dbraw/zinc/14/57/76/212145776.db2.gz MZNUSCSQLIMSAJ-INIZCTEOSA-N 0 0 310.397 3.380 10 30 DGEERN CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000112674546 284094291 /nfs/dbraw/zinc/09/42/91/284094291.db2.gz QDERFTOGZJZUOX-HOTGVXAUSA-N 0 0 306.431 3.051 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCOC)CCOc1ccc(F)cc1 ZINC000466646452 243932377 /nfs/dbraw/zinc/93/23/77/243932377.db2.gz IZEABODBKVNRNT-OAHLLOKOSA-N 0 0 323.408 3.282 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)NCc1cscn1 ZINC000471755488 244242697 /nfs/dbraw/zinc/24/26/97/244242697.db2.gz GDUIDFDSCAUUBF-UHFFFAOYSA-N 0 0 301.415 3.431 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)NCC[C@@H]1CCOC1 ZINC000472156518 244285753 /nfs/dbraw/zinc/28/57/53/244285753.db2.gz LNBRXTHCOQNIOS-QGZVFWFLSA-N 0 0 302.418 3.201 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1C#N)[C@H](C)C2 ZINC000181255137 432120077 /nfs/dbraw/zinc/12/00/77/432120077.db2.gz PNLREFNVCCAELQ-VLIAUNLRSA-N 0 0 320.392 3.295 10 30 DGEERN CC(C)Oc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000094087013 193345089 /nfs/dbraw/zinc/34/50/89/193345089.db2.gz RCDJNXWWRQCTKU-CHWSQXEVSA-N 0 0 316.401 3.488 10 30 DGEERN C=CC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000277205167 213364711 /nfs/dbraw/zinc/36/47/11/213364711.db2.gz GTORXALIGJYJSR-NSHDSACASA-N 0 0 307.699 3.478 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000121835160 284206802 /nfs/dbraw/zinc/20/68/02/284206802.db2.gz BDDUBMOGVZUJIB-UHFFFAOYSA-N 0 0 310.401 3.441 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000122735919 284224427 /nfs/dbraw/zinc/22/44/27/284224427.db2.gz KWGOHMZCZKNRFK-QGZVFWFLSA-N 0 0 321.380 3.088 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000487704170 245094947 /nfs/dbraw/zinc/09/49/47/245094947.db2.gz VRLDPNKJPNRVOC-ZDUSSCGKSA-N 0 0 301.390 3.065 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(-c2ccccc2C)c1 ZINC000264722355 204102986 /nfs/dbraw/zinc/10/29/86/204102986.db2.gz BESNZXBVTZBKAE-UHFFFAOYSA-N 0 0 323.318 3.371 10 30 DGEERN C=CCNc1ncnc2sc(C(=O)N(C)CC(C)C)c(C)c21 ZINC000012040053 181725020 /nfs/dbraw/zinc/72/50/20/181725020.db2.gz PLDWWSOOPNETBD-UHFFFAOYSA-N 0 0 318.446 3.326 10 30 DGEERN Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(C#N)cc1C ZINC000125946143 284288903 /nfs/dbraw/zinc/28/89/03/284288903.db2.gz CQVBVOMYWONXPV-OAHLLOKOSA-N 0 0 308.381 3.372 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1(c2ccccc2F)CC1 ZINC000126719908 284314463 /nfs/dbraw/zinc/31/44/63/284314463.db2.gz JRNVQTXRTIMAEG-ZDUSSCGKSA-N 0 0 324.355 3.270 10 30 DGEERN Cc1csc([C@H]2CN(c3ccc(C#N)cc3F)CCO2)n1 ZINC000171363072 432126188 /nfs/dbraw/zinc/12/61/88/432126188.db2.gz XWTKCQRAXOJZST-CQSZACIVSA-N 0 0 303.362 3.040 10 30 DGEERN CCCc1csc(NC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000127618545 284345705 /nfs/dbraw/zinc/34/57/05/284345705.db2.gz KKJXBERRHIUBOK-LLVKDONJSA-N 0 0 315.398 3.373 10 30 DGEERN Cc1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1 ZINC000015923818 182024728 /nfs/dbraw/zinc/02/47/28/182024728.db2.gz KHKPJSCYXOJUCY-DHDCSXOGSA-N 0 0 300.412 3.486 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000135127303 335019199 /nfs/dbraw/zinc/01/91/99/335019199.db2.gz FWDYRNDALBNLKV-WMZOPIPTSA-N 0 0 303.402 3.197 10 30 DGEERN COCc1nc2cc(NC(=O)c3ccc(C#N)cc3C)ccc2o1 ZINC000128701057 284384104 /nfs/dbraw/zinc/38/41/04/284384104.db2.gz MFQWGIJTDXTCMC-UHFFFAOYSA-N 0 0 321.336 3.407 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000160509609 197416621 /nfs/dbraw/zinc/41/66/21/197416621.db2.gz VFNJKSOOKOSBRW-SFHVURJKSA-N 0 0 306.365 3.080 10 30 DGEERN C[C@H](Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000019922287 182164487 /nfs/dbraw/zinc/16/44/87/182164487.db2.gz WKAMRDSTSBRJAE-LBPRGKRZSA-N 0 0 300.383 3.135 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C(=O)NC(C)(CC)CC)c1 ZINC000563822530 335029513 /nfs/dbraw/zinc/02/95/13/335029513.db2.gz JUSHNYLPLQTQCQ-UHFFFAOYSA-N 0 0 318.417 3.275 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000274375263 211558576 /nfs/dbraw/zinc/55/85/76/211558576.db2.gz XDFJRYMQYQAXLF-KFWWJZLASA-N 0 0 317.433 3.236 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000274370281 211553750 /nfs/dbraw/zinc/55/37/50/211553750.db2.gz YRDLEWAZZXBCRB-HNNXBMFYSA-N 0 0 302.418 3.362 10 30 DGEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000035005119 182746465 /nfs/dbraw/zinc/74/64/65/182746465.db2.gz YAEXZEFAUOJNMM-GDNBJRDFSA-N 0 0 300.274 3.339 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccnc1-c1ccccc1 ZINC000152529485 284626578 /nfs/dbraw/zinc/62/65/78/284626578.db2.gz LQLFWJOCXGMVIX-UHFFFAOYSA-N 0 0 302.337 3.211 10 30 DGEERN CCOc1cc(C(=O)N(C)C)ccc1NCC#Cc1ccccc1 ZINC000190386474 432149510 /nfs/dbraw/zinc/14/95/10/432149510.db2.gz KFHLLLUFZKMRNF-UHFFFAOYSA-N 0 0 322.408 3.251 10 30 DGEERN N#CCCN(C(=O)c1cc(F)cc(Br)c1)C1CC1 ZINC000042548864 183282560 /nfs/dbraw/zinc/28/25/60/183282560.db2.gz JBCNGPUIAZJUEQ-UHFFFAOYSA-N 0 0 311.154 3.106 10 30 DGEERN COc1ccc([C@H](C)Nc2nnc(C)c(C)c2C#N)cc1F ZINC000043533426 183370474 /nfs/dbraw/zinc/37/04/74/183370474.db2.gz OSIZYRXSJAXREC-NSHDSACASA-N 0 0 300.337 3.286 10 30 DGEERN CC(C)c1cc(C(=O)Nc2ccc(C#N)cn2)nn1C(C)(C)C ZINC000103926670 193964895 /nfs/dbraw/zinc/96/48/95/193964895.db2.gz BOEIKAAFJKNRLT-UHFFFAOYSA-N 0 0 311.389 3.280 10 30 DGEERN COc1ccc(/N=C2/c3cccc4c3N(CCC4)C2=O)cc1OC ZINC000105017711 194064397 /nfs/dbraw/zinc/06/43/97/194064397.db2.gz HNANOLSCHGWILW-JZJYNLBNSA-N 0 0 322.364 3.117 10 30 DGEERN COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1C ZINC000047163637 183582653 /nfs/dbraw/zinc/58/26/53/183582653.db2.gz CUWNZGJKXMYZNE-UHFFFAOYSA-N 0 0 307.353 3.082 10 30 DGEERN N#Cc1cc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1F ZINC000057341544 184033931 /nfs/dbraw/zinc/03/39/31/184033931.db2.gz SLLXCUOATJURSZ-UHFFFAOYSA-N 0 0 306.300 3.191 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N/N=C2\C[C@H]3C=CC[C@H]23)cc1 ZINC000058978864 184132895 /nfs/dbraw/zinc/13/28/95/184132895.db2.gz RUJXQYGKFDZVAC-RIVYBZEWSA-N 0 0 318.442 3.214 10 30 DGEERN N#C[C@@H](C(=O)C1CCOCC1)c1ccccc1Br ZINC000061672500 184181891 /nfs/dbraw/zinc/18/18/91/184181891.db2.gz DKIAWNOKEQMLSJ-GFCCVEGCSA-N 0 0 308.175 3.052 10 30 DGEERN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(C#N)cc3)cc21 ZINC000116723834 194764269 /nfs/dbraw/zinc/76/42/69/194764269.db2.gz OOZNVRRICPQKGF-UHFFFAOYSA-N 0 0 307.328 3.417 10 30 DGEERN CC(C)CN(Cc1cnc2ccc(C#N)cn12)CC(F)(F)F ZINC000092030556 252615753 /nfs/dbraw/zinc/61/57/53/252615753.db2.gz PRJVMCSKAUXWDG-UHFFFAOYSA-N 0 0 310.323 3.226 10 30 DGEERN N#Cc1cc(F)ccc1NC(=O)c1coc(Br)c1 ZINC000177594577 252721313 /nfs/dbraw/zinc/72/13/13/252721313.db2.gz LELUEDIZXJEUGF-UHFFFAOYSA-N 0 0 309.094 3.305 10 30 DGEERN CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000436016461 532992097 /nfs/dbraw/zinc/99/20/97/532992097.db2.gz RJIPNKPVKDHESV-NSHDSACASA-N 0 0 313.382 3.081 10 30 DGEERN C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000193418010 252760661 /nfs/dbraw/zinc/76/06/61/252760661.db2.gz FRTJCDSQNPALTL-PXAZEXFGSA-N 0 0 309.344 3.316 10 30 DGEERN N#Cc1nc2ccccc2cc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000334023001 252986396 /nfs/dbraw/zinc/98/63/96/252986396.db2.gz DXCFLXLAKUCFNW-XWIAVFTESA-N 0 0 305.381 3.476 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H](c2ccsc2)C1)OCC ZINC000270053119 208109693 /nfs/dbraw/zinc/10/96/93/208109693.db2.gz COTJAYALQSMLPJ-LSDHHAIUSA-N 0 0 309.431 3.019 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCO[C@H](c2ccsc2)C1)OCC ZINC000270053115 208110175 /nfs/dbraw/zinc/11/01/75/208110175.db2.gz COTJAYALQSMLPJ-GJZGRUSLSA-N 0 0 309.431 3.019 10 30 DGEERN C=C(C)[C@H](CC(=O)N(CCC)CCc1ccccn1)OCC ZINC000270105589 208163975 /nfs/dbraw/zinc/16/39/75/208163975.db2.gz RJZKAEICVMROEE-KRWDZBQOSA-N 0 0 304.434 3.234 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000270214008 208280722 /nfs/dbraw/zinc/28/07/22/208280722.db2.gz GLIQVVUPCBSQEH-LBPRGKRZSA-N 0 0 302.353 3.008 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCO[C@H](c2cccs2)C1)OCC ZINC000270255772 208321923 /nfs/dbraw/zinc/32/19/23/208321923.db2.gz SECYABFXSZDMQZ-KGLIPLIRSA-N 0 0 309.431 3.019 10 30 DGEERN N#Cc1cccc(NC(=O)c2ncsc2Br)c1 ZINC000341443523 253809675 /nfs/dbraw/zinc/80/96/75/253809675.db2.gz YIDZUGADXWNSIQ-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN N#Cc1ccccc1OCCN1CCO[C@@H](c2cccs2)C1 ZINC000157491061 197191456 /nfs/dbraw/zinc/19/14/56/197191456.db2.gz LKOWGAMSMRRVSL-MRXNPFEDSA-N 0 0 314.410 3.072 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343733731 254182625 /nfs/dbraw/zinc/18/26/25/254182625.db2.gz DILITJNQHSJAAN-ZWKOTPCHSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCCCN(C)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000156764680 197138733 /nfs/dbraw/zinc/13/87/33/197138733.db2.gz OLSJOMCSQJDPEM-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)NCc1cccc(C#N)c1 ZINC000156430578 197112984 /nfs/dbraw/zinc/11/29/84/197112984.db2.gz KHIPOANSUTZZCY-GFCCVEGCSA-N 0 0 309.373 3.047 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000155016775 197014353 /nfs/dbraw/zinc/01/43/53/197014353.db2.gz SRCVXUXWBCLWEB-MSOLQXFVSA-N 0 0 314.429 3.088 10 30 DGEERN C#CCCCCNC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000154903919 197004401 /nfs/dbraw/zinc/00/44/01/197004401.db2.gz XGYATZBADBVHMX-YOEHRIQHSA-N 0 0 318.392 3.101 10 30 DGEERN C=CCO[C@@H]1CCN(C(=O)c2ccoc2)[C@@H]1Cc1ccccc1 ZINC000253375366 257105124 /nfs/dbraw/zinc/10/51/24/257105124.db2.gz PMWJBRNPMUPYFJ-QZTJIDSGSA-N 0 0 311.381 3.308 10 30 DGEERN Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccco2)sc1SCC#N ZINC000121783069 195345434 /nfs/dbraw/zinc/34/54/34/195345434.db2.gz DIPRGJQBSDWJMR-ZJUUUORDSA-N 0 0 319.411 3.402 10 30 DGEERN CC(C)c1cc(C(=O)NC2(C#N)CCCC2)nn1C(C)(C)C ZINC000124814853 195682467 /nfs/dbraw/zinc/68/24/67/195682467.db2.gz VXAXHKUGTRNITP-UHFFFAOYSA-N 0 0 302.422 3.328 10 30 DGEERN N#Cc1cnc(N[C@@H]2CCCN(c3ccccc3Cl)C2)cn1 ZINC000125468170 195753461 /nfs/dbraw/zinc/75/34/61/195753461.db2.gz VXTYKGZDOYVIOG-GFCCVEGCSA-N 0 0 313.792 3.083 10 30 DGEERN N#Cc1cnc(NCc2cc(Cl)ccc2OC(F)F)cn1 ZINC000126081549 195808046 /nfs/dbraw/zinc/80/80/46/195808046.db2.gz NNUPTYAHAVDYLI-UHFFFAOYSA-N 0 0 310.691 3.215 10 30 DGEERN C[C@@H](NCC#Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 ZINC000185457155 533341625 /nfs/dbraw/zinc/34/16/25/533341625.db2.gz SKJINVZSKQUKLX-OAHLLOKOSA-N 0 0 320.371 3.109 10 30 DGEERN C[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329700743 533360918 /nfs/dbraw/zinc/36/09/18/533360918.db2.gz ZZSRBPIGFCBJAC-JSGCOSHPSA-N 0 0 323.462 3.401 10 30 DGEERN COc1ccc(C(=O)NC2(C#N)CCCC2)cc1-c1ccccn1 ZINC000122298779 533320103 /nfs/dbraw/zinc/32/01/03/533320103.db2.gz UIUZNVFTKXESLG-UHFFFAOYSA-N 0 0 321.380 3.323 10 30 DGEERN C=C(C)CCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000455317204 533487059 /nfs/dbraw/zinc/48/70/59/533487059.db2.gz WNEONYHURGZNNL-UHFFFAOYSA-N 0 0 301.365 3.341 10 30 DGEERN C=C(C)CN(CC)C(=O)CN(CC(C)C)c1cccc(O)c1 ZINC000471216126 533499931 /nfs/dbraw/zinc/49/99/31/533499931.db2.gz NJPLCOPLOGIIEQ-UHFFFAOYSA-N 0 0 304.434 3.279 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1ccc(F)cc1C ZINC000488038600 533501449 /nfs/dbraw/zinc/50/14/49/533501449.db2.gz BUTMEVLGEVVTNS-HNNXBMFYSA-N 0 0 306.425 3.379 10 30 DGEERN COc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1F ZINC000187785435 533577364 /nfs/dbraw/zinc/57/73/64/533577364.db2.gz QJBNWDPBRREDQK-UHFFFAOYSA-N 0 0 324.355 3.054 10 30 DGEERN C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000302220926 533551364 /nfs/dbraw/zinc/55/13/64/533551364.db2.gz RZYKTAPJHSVLKD-SNVBAGLBSA-N 0 0 311.297 3.368 10 30 DGEERN C[C@H](CC#N)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155777911 533608436 /nfs/dbraw/zinc/60/84/36/533608436.db2.gz NMWGKTZOBAGSJG-HQJQHLMTSA-N 0 0 321.249 3.170 10 30 DGEERN COc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182266307 533649430 /nfs/dbraw/zinc/64/94/30/533649430.db2.gz XZRHYCLYXKJHEX-UHFFFAOYSA-N 0 0 306.365 3.180 10 30 DGEERN C=CCCCN(C)C(=O)NCCN(CC)c1ccccc1C ZINC000303914315 400117694 /nfs/dbraw/zinc/11/76/94/400117694.db2.gz UYEMYMXBSFULMA-UHFFFAOYSA-N 0 0 303.450 3.429 10 30 DGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2C1=O ZINC000007917149 400112127 /nfs/dbraw/zinc/11/21/27/400112127.db2.gz OFSCUNUBLGDPDM-UHFFFAOYSA-N 0 0 320.348 3.029 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCCCC2 ZINC000616547134 400172144 /nfs/dbraw/zinc/17/21/44/400172144.db2.gz KHXJFXOQPODRIY-SFHVURJKSA-N 0 0 314.429 3.365 10 30 DGEERN CS(=O)(=O)N1c2ccccc2CC[C@@H]1c1cccc(C#N)c1 ZINC000616594696 400180055 /nfs/dbraw/zinc/18/00/55/400180055.db2.gz OXYGVUVFOCPHAL-QGZVFWFLSA-N 0 0 312.394 3.012 10 30 DGEERN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)C1(C)C ZINC000328622802 400182705 /nfs/dbraw/zinc/18/27/05/400182705.db2.gz IQNHHOGETMVRLT-FXUDXRNXSA-N 0 0 317.433 3.445 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cc(C2CC2)no1 ZINC000616303506 400121336 /nfs/dbraw/zinc/12/13/36/400121336.db2.gz YMJXUMJYOZLESB-MRXNPFEDSA-N 0 0 310.397 3.398 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1onc2c1CCCC2 ZINC000616302612 400121570 /nfs/dbraw/zinc/12/15/70/400121570.db2.gz GCWJNIOSLKMMSD-OAHLLOKOSA-N 0 0 310.397 3.471 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1onc2c1CCCC2 ZINC000616302611 400121643 /nfs/dbraw/zinc/12/16/43/400121643.db2.gz GCWJNIOSLKMMSD-HNNXBMFYSA-N 0 0 310.397 3.471 10 30 DGEERN N#Cc1cc(N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc2n1 ZINC000091479771 400123023 /nfs/dbraw/zinc/12/30/23/400123023.db2.gz DUMPWMBNHPHSDW-CYBMUJFWSA-N 0 0 303.369 3.214 10 30 DGEERN CC(C)[C@@H](C#N)C(=O)c1sccc1I ZINC000306207643 400124371 /nfs/dbraw/zinc/12/43/71/400124371.db2.gz QYWNLLGBUDIBFN-SSDOTTSWSA-N 0 0 319.167 3.331 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1CCOc1ccc(C#N)cc1 ZINC000066853086 400124657 /nfs/dbraw/zinc/12/46/57/400124657.db2.gz LHLHPVLHCZHIPL-UZLBHIALSA-N 0 0 322.408 3.399 10 30 DGEERN CCOC[C@H](C)Nc1cc(Br)c(C#N)cc1F ZINC000310229208 400133789 /nfs/dbraw/zinc/13/37/89/400133789.db2.gz PMRHIMNKPLJCTQ-QMMMGPOBSA-N 0 0 301.159 3.297 10 30 DGEERN CSC1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000312242467 400135986 /nfs/dbraw/zinc/13/59/86/400135986.db2.gz IDBJUQNPPQZMPG-UHFFFAOYSA-N 0 0 301.337 3.304 10 30 DGEERN C[N@H+](CC(=O)Nc1sccc1C#N)C(C)(C)c1ccccc1 ZINC000585754711 400138380 /nfs/dbraw/zinc/13/83/80/400138380.db2.gz WLHUWRZDXJPUAE-UHFFFAOYSA-N 0 0 313.426 3.425 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000616409521 400142828 /nfs/dbraw/zinc/14/28/28/400142828.db2.gz RMMQUXUOFVAWIE-VJANTYMQSA-N 0 0 313.441 3.353 10 30 DGEERN COc1ccc2cc(C(=O)NCc3ccc(C#N)cc3F)[nH]c2c1 ZINC000609232072 400152917 /nfs/dbraw/zinc/15/29/17/400152917.db2.gz WEJPPWQIMYJWPS-UHFFFAOYSA-N 0 0 323.327 3.117 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cncc3ccccc32)c(F)c1 ZINC000609229348 400152985 /nfs/dbraw/zinc/15/29/85/400152985.db2.gz HDSDCIKKNOBIRL-UHFFFAOYSA-N 0 0 305.312 3.176 10 30 DGEERN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc(C#N)cc1F ZINC000609240234 400154583 /nfs/dbraw/zinc/15/45/83/400154583.db2.gz WEEWQVINLSTCHZ-GOSISDBHSA-N 0 0 323.371 3.493 10 30 DGEERN COc1cc(F)ccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609253450 400155581 /nfs/dbraw/zinc/15/55/81/400155581.db2.gz LREICYPVLWZIBJ-UHFFFAOYSA-N 0 0 317.295 3.167 10 30 DGEERN CC(C)N(Cc1ccco1)C(=O)NCc1ccc(C#N)cc1F ZINC000609254675 400155710 /nfs/dbraw/zinc/15/57/10/400155710.db2.gz YMYDXYXSUCEWDF-UHFFFAOYSA-N 0 0 315.348 3.411 10 30 DGEERN COc1ccc2c(c1NC(=O)Cc1cccc(C#N)c1)CCC2 ZINC000616542232 400171377 /nfs/dbraw/zinc/17/13/77/400171377.db2.gz LLCWGCVDCMJIRY-UHFFFAOYSA-N 0 0 306.365 3.237 10 30 DGEERN C=CCn1c(SCCN(C#N)CC)nnc1-c1cccs1 ZINC000601079862 400225133 /nfs/dbraw/zinc/22/51/33/400225133.db2.gz DZYAGXRFQUMCTB-UHFFFAOYSA-N 0 0 319.459 3.088 10 30 DGEERN N#C[C@H]1CCCC[C@H]1NCc1ncc(Br)s1 ZINC000595693820 400230402 /nfs/dbraw/zinc/23/04/02/400230402.db2.gz JOJBFYLNETXLIE-RKDXNWHRSA-N 0 0 300.225 3.078 10 30 DGEERN C=C(C)CCn1cc(C(=O)OCC)c(=O)c2cccc(OC)c21 ZINC000601097711 400231449 /nfs/dbraw/zinc/23/14/49/400231449.db2.gz ZWRLGMYCXAGKRJ-UHFFFAOYSA-N 0 0 315.369 3.153 10 30 DGEERN C=CCC1(c2nc(-c3cccnc3OCC)no2)CCOCC1 ZINC000351285639 400245068 /nfs/dbraw/zinc/24/50/68/400245068.db2.gz GLFMZEBRLWSIFX-UHFFFAOYSA-N 0 0 315.373 3.155 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000610353122 400248236 /nfs/dbraw/zinc/24/82/36/400248236.db2.gz WPTGBRYUXIMMML-DOTOQJQBSA-N 0 0 315.392 3.465 10 30 DGEERN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000026126361 400250703 /nfs/dbraw/zinc/25/07/03/400250703.db2.gz BGCXIJSLIBSFFA-UONOGXRCSA-N 0 0 324.380 3.212 10 30 DGEERN COC(=O)C(C)(C)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092677434 400193783 /nfs/dbraw/zinc/19/37/83/400193783.db2.gz IDPFCDGCNFDJIJ-UHFFFAOYSA-N 0 0 317.776 3.371 10 30 DGEERN N#Cc1nc(N[C@@H](CO)c2ccc(Cl)cc2)ccc1Cl ZINC000092961315 400215848 /nfs/dbraw/zinc/21/58/48/400215848.db2.gz MIQPLCSPFOJRFL-ZDUSSCGKSA-N 0 0 308.168 3.406 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1nc(C2CCC2)no1 ZINC000601058980 400217177 /nfs/dbraw/zinc/21/71/77/400217177.db2.gz RMOJFTODGIYTGN-GFCCVEGCSA-N 0 0 323.462 3.383 10 30 DGEERN Cc1cccc2c1ncc(C#N)c2NC[C@H](C)c1ccncc1 ZINC000610516974 400269311 /nfs/dbraw/zinc/26/93/11/400269311.db2.gz NRUACYMHJSDDMO-AWEZNQCLSA-N 0 0 302.381 3.447 10 30 DGEERN COc1ccccc1C(C)(C)CNC(=O)Cc1cccc(C#N)c1 ZINC000610520814 400270559 /nfs/dbraw/zinc/27/05/59/400270559.db2.gz BUINGVDZNPAYKY-UHFFFAOYSA-N 0 0 322.408 3.203 10 30 DGEERN C=CCCCN(C)c1cc(Br)cc(F)c1C(N)=O ZINC000094162894 400271768 /nfs/dbraw/zinc/27/17/68/400271768.db2.gz FIZFUIBNBDJGPO-UHFFFAOYSA-N 0 0 315.186 3.090 10 30 DGEERN C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)c1ccncc1 ZINC000610526567 400271892 /nfs/dbraw/zinc/27/18/92/400271892.db2.gz PHBSPYIZIWYMAN-AWEZNQCLSA-N 0 0 318.380 3.093 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CNC(C)=O)cc1 ZINC000617035510 400286692 /nfs/dbraw/zinc/28/66/92/400286692.db2.gz NMLMAAXBABYXRQ-AEFFLSMTSA-N 0 0 314.429 3.187 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000617037952 400288209 /nfs/dbraw/zinc/28/82/09/400288209.db2.gz SWQCEZGMOIERDX-NCOADZHNSA-N 0 0 309.450 3.212 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000617038029 400288717 /nfs/dbraw/zinc/28/87/17/400288717.db2.gz UIKDWNXVESWRQA-UKRRQHHQSA-N 0 0 310.397 3.393 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)c(C)nn2C ZINC000617038339 400288921 /nfs/dbraw/zinc/28/89/21/400288921.db2.gz WGCYEMSVVZQJLG-CZUORRHYSA-N 0 0 312.417 3.141 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000617040083 400290256 /nfs/dbraw/zinc/29/02/56/400290256.db2.gz PKIKMRPJRPMDHY-JSGCOSHPSA-N 0 0 319.401 3.274 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCC(=O)N(CC)CC ZINC000617040542 400290264 /nfs/dbraw/zinc/29/02/64/400290264.db2.gz VVTUQXQLJAAGCE-CVEARBPZSA-N 0 0 308.466 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000617043150 400291428 /nfs/dbraw/zinc/29/14/28/400291428.db2.gz ZZFIZFHOSQJFOV-RDBSUJKOSA-N 0 0 318.383 3.122 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCC(OCCOC)CC1 ZINC000617042523 400291437 /nfs/dbraw/zinc/29/14/37/400291437.db2.gz SINPAZCFMGFLPN-AQEOSJORSA-N 0 0 323.477 3.459 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnn1C1CCOCC1 ZINC000617045332 400291760 /nfs/dbraw/zinc/29/17/60/400291760.db2.gz ZFQUZEIFMUPWJZ-HOCLYGCPSA-N 0 0 317.433 3.099 10 30 DGEERN C=CCN(CCn1nc(C)cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000068815947 400291884 /nfs/dbraw/zinc/29/18/84/400291884.db2.gz MAQXOYRBLXRBCJ-UHFFFAOYSA-N 0 0 314.389 3.096 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(F)(F)F)nn1C ZINC000617045131 400292173 /nfs/dbraw/zinc/29/21/73/400292173.db2.gz XHAQVICDSWXUOF-GHMZBOCLSA-N 0 0 315.339 3.304 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000617045090 400292352 /nfs/dbraw/zinc/29/23/52/400292352.db2.gz XAVKLZRUTCNNNC-AAEUAGOBSA-N 0 0 300.358 3.398 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC#N)cc1 ZINC000029061228 400296388 /nfs/dbraw/zinc/29/63/88/400296388.db2.gz CEHPCLWBFWYFCK-ZDUSSCGKSA-N 0 0 305.337 3.030 10 30 DGEERN C[C@H](OCc1ccccc1)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405193165 400299406 /nfs/dbraw/zinc/29/94/06/400299406.db2.gz ZXUMCRYMBRSFIK-AWEZNQCLSA-N 0 0 306.365 3.006 10 30 DGEERN CCOc1cc(C)ccc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000504453240 400306567 /nfs/dbraw/zinc/30/65/67/400306567.db2.gz YPYRGYXPFAIEDF-UHFFFAOYSA-N 0 0 315.417 3.229 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)Cc1cccc(Br)c1 ZINC000504569302 400306682 /nfs/dbraw/zinc/30/66/82/400306682.db2.gz XSLOFQYKDGRMOU-HNNXBMFYSA-N 0 0 323.234 3.436 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)Cc1cccc(Br)c1 ZINC000504569304 400306706 /nfs/dbraw/zinc/30/67/06/400306706.db2.gz XSLOFQYKDGRMOU-OAHLLOKOSA-N 0 0 323.234 3.436 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000518792151 400309858 /nfs/dbraw/zinc/30/98/58/400309858.db2.gz AMYKATGMFDTTEA-AWEZNQCLSA-N 0 0 303.406 3.059 10 30 DGEERN C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccncc1 ZINC000610812014 400310410 /nfs/dbraw/zinc/31/04/10/400310410.db2.gz IJPSXGISHPZRAN-AWEZNQCLSA-N 0 0 323.396 3.031 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000069137474 400313315 /nfs/dbraw/zinc/31/33/15/400313315.db2.gz FLUBIHWKZMHOTJ-UHFFFAOYSA-N 0 0 309.291 3.267 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610849882 400313513 /nfs/dbraw/zinc/31/35/13/400313513.db2.gz BKBMDUGVUDFFDS-DZGCQCFKSA-N 0 0 318.417 3.191 10 30 DGEERN C=CCCSCCNC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000601620006 400318103 /nfs/dbraw/zinc/31/81/03/400318103.db2.gz GZRPOYVXFVHGKU-AWEZNQCLSA-N 0 0 314.401 3.445 10 30 DGEERN C=CC[C@@H](C)NC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC000601189268 400259526 /nfs/dbraw/zinc/25/95/26/400259526.db2.gz PJDVXJWGBQBKFN-CYBMUJFWSA-N 0 0 303.402 3.265 10 30 DGEERN C=CCCC1(CNC(=O)c2ccc(NC(N)=O)cc2)CCCC1 ZINC000617416543 400383850 /nfs/dbraw/zinc/38/38/50/400383850.db2.gz VFSVXYQXURYHEO-UHFFFAOYSA-N 0 0 315.417 3.434 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3ncncc3C2)CCCC1 ZINC000617418040 400385200 /nfs/dbraw/zinc/38/52/00/400385200.db2.gz QCSNSYPKWCHJNG-OAHLLOKOSA-N 0 0 313.445 3.224 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c2ncccc12 ZINC000578499673 400329641 /nfs/dbraw/zinc/32/96/41/400329641.db2.gz WLGTYMSTMRIIDU-NHYWBVRUSA-N 0 0 316.788 3.209 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000578622425 400330529 /nfs/dbraw/zinc/33/05/29/400330529.db2.gz OQYXZGQCNLFTJW-SOUVJXGZSA-N 0 0 324.465 3.350 10 30 DGEERN CN(C(=O)[C@H]1C[C@@]12CCOc1ccccc12)c1ccc(C#N)cc1 ZINC000610982831 400332208 /nfs/dbraw/zinc/33/22/08/400332208.db2.gz IQTIVNBHASVQFX-YLJYHZDGSA-N 0 0 318.376 3.261 10 30 DGEERN C=CCCCCCNC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000579123958 400336013 /nfs/dbraw/zinc/33/60/13/400336013.db2.gz ASXIZGLYRIETQS-UHFFFAOYSA-N 0 0 320.437 3.450 10 30 DGEERN C[C@@H](NCc1noc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000611389246 400391234 /nfs/dbraw/zinc/39/12/34/400391234.db2.gz YYXDXJZVAYIJDH-CYBMUJFWSA-N 0 0 304.353 3.459 10 30 DGEERN C=CCOc1ccc(CN2C(=O)N[C@@H](C[C@H](C)CC)C2=O)cc1 ZINC000579239780 400336613 /nfs/dbraw/zinc/33/66/13/400336613.db2.gz LREOYGKZEBNONF-CJNGLKHVSA-N 0 0 316.401 3.108 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](C(F)F)CC2)c(Cl)c1 ZINC000601972873 400391487 /nfs/dbraw/zinc/39/14/87/400391487.db2.gz HKZXDBCZTVGDIC-CYBMUJFWSA-N 0 0 300.736 3.068 10 30 DGEERN CC[C@H](C#N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601728979 400341359 /nfs/dbraw/zinc/34/13/59/400341359.db2.gz RXCQCUQZUUUXEB-QZTJIDSGSA-N 0 0 313.445 3.097 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000579703839 400342024 /nfs/dbraw/zinc/34/20/24/400342024.db2.gz WPDSURGKSCWUFK-KBPBESRZSA-N 0 0 310.344 3.015 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000601744443 400343534 /nfs/dbraw/zinc/34/35/34/400343534.db2.gz KNRSYIJLNYYXLU-KRWDZBQOSA-N 0 0 309.413 3.349 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C12CCC(C(=O)OC)(CC1)C2 ZINC000601744116 400344159 /nfs/dbraw/zinc/34/41/59/400344159.db2.gz IDQRTLLQSJNQDJ-UHFFFAOYSA-N 0 0 307.434 3.219 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000601744868 400344235 /nfs/dbraw/zinc/34/42/35/400344235.db2.gz NKCOZEYTDGUTFI-UHFFFAOYSA-N 0 0 324.352 3.465 10 30 DGEERN C=C(C)C[C@@H](NC(=O)C/C=C\c1ccc(C)cc1)C(=O)OC ZINC000601781597 400347964 /nfs/dbraw/zinc/34/79/64/400347964.db2.gz JHLPWWPKCASHET-OGZRUICASA-N 0 0 301.386 3.022 10 30 DGEERN C=CCCCCCNC(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000580901249 400348514 /nfs/dbraw/zinc/34/85/14/400348514.db2.gz NUHINVILIAHUHQ-PKOBYXMFSA-N 0 0 316.445 3.198 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000611139576 400350775 /nfs/dbraw/zinc/35/07/75/400350775.db2.gz QPPOVPCWBMUPRD-ROUUACIJSA-N 0 0 318.376 3.260 10 30 DGEERN CC(C)C[C@@H](C#N)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000611251206 400365686 /nfs/dbraw/zinc/36/56/86/400365686.db2.gz RPHDYDGSPOTUJG-DOTOQJQBSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601859953 400366096 /nfs/dbraw/zinc/36/60/96/400366096.db2.gz CZHQFDPDMFOGJD-ZIAGYGMSSA-N 0 0 301.438 3.181 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601872972 400368351 /nfs/dbraw/zinc/36/83/51/400368351.db2.gz BVAJPTLFXUDQSS-ILXRZTDVSA-N 0 0 301.438 3.496 10 30 DGEERN C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601873850 400369458 /nfs/dbraw/zinc/36/94/58/400369458.db2.gz HMEYIKPOMUFBGG-GDBMZVCRSA-N 0 0 322.416 3.045 10 30 DGEERN C=CCC1(C(=O)N2CCC(c3ccco3)CC2)CCOCC1 ZINC000617386411 400375544 /nfs/dbraw/zinc/37/55/44/400375544.db2.gz AKSKQSWVKKYGGZ-UHFFFAOYSA-N 0 0 303.402 3.359 10 30 DGEERN C=CCCOCCCCC(=O)NCc1ccc(C#N)cc1F ZINC000611415872 400397337 /nfs/dbraw/zinc/39/73/37/400397337.db2.gz XYBDFAPETULBKK-UHFFFAOYSA-N 0 0 304.365 3.077 10 30 DGEERN CS(=O)(=O)OCCCc1ccc(OCc2ccccc2)cc1 ZINC000039390322 400397982 /nfs/dbraw/zinc/39/79/82/400397982.db2.gz SKLMHIUCQGXZLO-UHFFFAOYSA-N 0 0 320.410 3.174 10 30 DGEERN N#CC1(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CCOCC1 ZINC000115464971 400398280 /nfs/dbraw/zinc/39/82/80/400398280.db2.gz FPUBMYMHDGGMDQ-UHFFFAOYSA-N 0 0 318.376 3.060 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCC2(CCCC2)CC1 ZINC000617566786 400411721 /nfs/dbraw/zinc/41/17/21/400411721.db2.gz SEUJLNGIOFPBKK-MRXNPFEDSA-N 0 0 306.450 3.030 10 30 DGEERN COc1ccc(/C=N/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000117734217 400421156 /nfs/dbraw/zinc/42/11/56/400421156.db2.gz WTHUWFRDFOESTO-WOJGMQOQSA-N 0 0 301.342 3.472 10 30 DGEERN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000611561015 400422750 /nfs/dbraw/zinc/42/27/50/400422750.db2.gz RTJLLAUVMCBRSJ-ZFWWWQNUSA-N 0 0 300.402 3.488 10 30 DGEERN C=CCN(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)[C@@H](C)COC ZINC000617584415 400419287 /nfs/dbraw/zinc/41/92/87/400419287.db2.gz BOQXGCOHCDELFV-LRDDRELGSA-N 0 0 323.820 3.351 10 30 DGEERN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1sccc1C#N ZINC000611548751 400420329 /nfs/dbraw/zinc/42/03/29/400420329.db2.gz GFBLMZYRVXSWAU-WCBMZHEXSA-N 0 0 302.321 3.423 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](OCC)C(C)C ZINC000602250813 400430876 /nfs/dbraw/zinc/43/08/76/400430876.db2.gz GOYNDOQXUIGRSM-INIZCTEOSA-N 0 0 320.389 3.171 10 30 DGEERN C=C(C)[C@H](CC(=O)NCC(F)(F)c1cccc(F)c1)OCC ZINC000617620750 400428548 /nfs/dbraw/zinc/42/85/48/400428548.db2.gz NMVMALOTBWSYFW-AWEZNQCLSA-N 0 0 315.335 3.405 10 30 DGEERN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611614941 400429204 /nfs/dbraw/zinc/42/92/04/400429204.db2.gz HQTMEZPQKOQVMT-GUYCJALGSA-N 0 0 318.392 3.155 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCCc1ccnc2ccccc12 ZINC000617672734 400442686 /nfs/dbraw/zinc/44/26/86/400442686.db2.gz YLORIRPXQUYWCJ-LJQANCHMSA-N 0 0 312.413 3.122 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H](C)c2cscn2)cc1 ZINC000617821563 400457965 /nfs/dbraw/zinc/45/79/65/400457965.db2.gz WHXXVLQJBGLUDE-LBPRGKRZSA-N 0 0 302.399 3.128 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000617780255 400453019 /nfs/dbraw/zinc/45/30/19/400453019.db2.gz RJHUQIHARVHGEL-OAHLLOKOSA-N 0 0 300.402 3.098 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cccc(C(=O)NC3CC3)c2)C1 ZINC000617780575 400453037 /nfs/dbraw/zinc/45/30/37/400453037.db2.gz XHXDUUATRZDZEM-CQSZACIVSA-N 0 0 312.413 3.007 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H](c2ccccc2F)C(C)C)nn1 ZINC000617995417 400501048 /nfs/dbraw/zinc/50/10/48/400501048.db2.gz AVEFOYMPEDNSHB-INIZCTEOSA-N 0 0 316.380 3.120 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C)n1 ZINC000123916738 400472603 /nfs/dbraw/zinc/47/26/03/400472603.db2.gz QIIDROZIBBGYTO-UHFFFAOYSA-N 0 0 322.412 3.384 10 30 DGEERN C=C(C)CN(CC)C(=O)CSc1nccn1-c1ccccc1 ZINC000043694855 400475803 /nfs/dbraw/zinc/47/58/03/400475803.db2.gz ZCBBTWVBCBTKAV-UHFFFAOYSA-N 0 0 315.442 3.389 10 30 DGEERN CC(=O)N(C)c1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602490344 400478259 /nfs/dbraw/zinc/47/82/59/400478259.db2.gz SQPJHUWSZSDOEK-AWEZNQCLSA-N 0 0 315.417 3.180 10 30 DGEERN C=CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000073982208 400483632 /nfs/dbraw/zinc/48/36/32/400483632.db2.gz UHZICDZSDSFIPV-INIZCTEOSA-N 0 0 306.365 3.332 10 30 DGEERN C=C[C@H](C)NC(=O)CCc1ccc(OC)cc1Br ZINC000612263334 400514894 /nfs/dbraw/zinc/51/48/94/400514894.db2.gz HJQDSTSZIFHCAJ-JTQLQIEISA-N 0 0 312.207 3.081 10 30 DGEERN C=CCSc1ccccc1C(=O)NCCO[C@@H]1CC1(F)F ZINC000618132708 400531825 /nfs/dbraw/zinc/53/18/25/400531825.db2.gz GDOCCDKUAZPKIB-CYBMUJFWSA-N 0 0 313.369 3.119 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@](C)(C#N)C1 ZINC000591621754 400546549 /nfs/dbraw/zinc/54/65/49/400546549.db2.gz PRKFJFAZXBKRHN-XJKSGUPXSA-N 0 0 317.462 3.162 10 30 DGEERN N#Cc1ccc(N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000612457975 400548633 /nfs/dbraw/zinc/54/86/33/400548633.db2.gz YHXYJULJBPBSNQ-KRWDZBQOSA-N 0 0 315.373 3.252 10 30 DGEERN C=CCC1(NC(=O)c2sc([C@@H](C)OC)nc2C)CCOCC1 ZINC000618248559 400550265 /nfs/dbraw/zinc/55/02/65/400550265.db2.gz LYWDQBVRHUHSSQ-GFCCVEGCSA-N 0 0 324.446 3.014 10 30 DGEERN C=CCC1(NC(=O)C/C=C/c2ccc(F)cc2)CCOCC1 ZINC000618247814 400550683 /nfs/dbraw/zinc/55/06/83/400550683.db2.gz LFDUHCAZGSBCMG-ONEGZZNKSA-N 0 0 303.377 3.471 10 30 DGEERN C=CCC1(NC(=O)c2ccc3c(c2O)CCCC3)CCOCC1 ZINC000618249225 400551416 /nfs/dbraw/zinc/55/14/16/400551416.db2.gz LEHPMYSELJCDBN-UHFFFAOYSA-N 0 0 315.413 3.126 10 30 DGEERN C=CCC1(NC(=O)c2cnn([C@@H](C)CC)c2C)CCOCC1 ZINC000618250686 400551574 /nfs/dbraw/zinc/55/15/74/400551574.db2.gz KTHLLKYUDOZFAY-ZDUSSCGKSA-N 0 0 305.422 3.018 10 30 DGEERN C=CCC1(NC(=O)Cc2c(Cl)cccc2OC)CCOCC1 ZINC000618249055 400551659 /nfs/dbraw/zinc/55/16/59/400551659.db2.gz 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/nfs/dbraw/zinc/64/25/69/400642569.db2.gz AVSUPAOCOWTPEA-JKSUJKDBSA-N 0 0 316.401 3.393 10 30 DGEERN CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccs1 ZINC000143948815 400638778 /nfs/dbraw/zinc/63/87/78/400638778.db2.gz MYNBYMHCAHQSQB-PDICVPPASA-N 0 0 315.509 3.417 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000592054174 400600606 /nfs/dbraw/zinc/60/06/06/400600606.db2.gz HWMILSIJSOKFGK-CABCVRRESA-N 0 0 322.449 3.104 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603115897 400643866 /nfs/dbraw/zinc/64/38/66/400643866.db2.gz MIOVVNAOHHYYQW-VNQPRFMTSA-N 0 0 316.401 3.439 10 30 DGEERN C=CCOCCCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000618514980 400608259 /nfs/dbraw/zinc/60/82/59/400608259.db2.gz QPWPWOHNUIFUBM-UHFFFAOYSA-N 0 0 302.201 3.245 10 30 DGEERN C=CCOCCCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000618514927 400608304 /nfs/dbraw/zinc/60/83/04/400608304.db2.gz PQDHQNGYRXOBNO-UHFFFAOYSA-N 0 0 316.426 3.062 10 30 DGEERN C=CCOCCCNC(=O)c1nc(-c2ccco2)sc1C ZINC000618514775 400608379 /nfs/dbraw/zinc/60/83/79/400608379.db2.gz OJZPIUKIRCKGGU-UHFFFAOYSA-N 0 0 306.387 3.034 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000618514477 400608388 /nfs/dbraw/zinc/60/83/88/400608388.db2.gz MWLFXGZYMQMUOU-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000618513913 400608485 /nfs/dbraw/zinc/60/84/85/400608485.db2.gz GCCSXXSROXYYKR-UHFFFAOYSA-N 0 0 319.792 3.053 10 30 DGEERN C=CCOCCCNC(=O)CCC(=O)c1cc(C)sc1C ZINC000618517446 400609315 /nfs/dbraw/zinc/60/93/15/400609315.db2.gz KXYVRRINSFKLIO-UHFFFAOYSA-N 0 0 309.431 3.037 10 30 DGEERN C=CCOCCCNC(=O)c1sc(-c2ccccc2)nc1C ZINC000618517971 400609346 /nfs/dbraw/zinc/60/93/46/400609346.db2.gz UQNLWQZEGNTRRS-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000618520504 400610133 /nfs/dbraw/zinc/61/01/33/400610133.db2.gz FIOAEWZQHUPQRN-UHFFFAOYSA-N 0 0 306.387 3.034 10 30 DGEERN C=CCOCCCNC(=O)C1(c2ccc(OC)cc2)CCCC1 ZINC000618522854 400610934 /nfs/dbraw/zinc/61/09/34/400610934.db2.gz WIMYITKMELBKSN-UHFFFAOYSA-N 0 0 317.429 3.216 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000618524372 400611086 /nfs/dbraw/zinc/61/10/86/400611086.db2.gz CQEKPKFXROLSHR-OAHLLOKOSA-N 0 0 313.397 3.316 10 30 DGEERN C=CCOCCCNC(=O)c1nc(-c2ccccc2)cs1 ZINC000618524643 400611407 /nfs/dbraw/zinc/61/14/07/400611407.db2.gz MPKKIKBBIQXRSX-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCOCCCNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000618525762 400611676 /nfs/dbraw/zinc/61/16/76/400611676.db2.gz LYNTYGPXRCCCGP-UHFFFAOYSA-N 0 0 306.164 3.455 10 30 DGEERN C=CCN(CC=C)c1nnc(-c2scnc2C)n1CC1CC1 ZINC000613051639 400648722 /nfs/dbraw/zinc/64/87/22/400648722.db2.gz WTXRYXLWFUYZQA-UHFFFAOYSA-N 0 0 315.446 3.298 10 30 DGEERN CCOC(=O)c1cc(C(=O)c2ccc(C#N)cc2)n2ccccc12 ZINC000048523576 400657869 /nfs/dbraw/zinc/65/78/69/400657869.db2.gz LZXJBYXIPLWNMW-UHFFFAOYSA-N 0 0 318.332 3.219 10 30 DGEERN CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C#N)cc12 ZINC000048523578 400658090 /nfs/dbraw/zinc/65/80/90/400658090.db2.gz MYBWQNPCAHEPHV-UHFFFAOYSA-N 0 0 324.361 3.280 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C1CCCCC1 ZINC000076505156 400658656 /nfs/dbraw/zinc/65/86/56/400658656.db2.gz DKABVPXWMXLOCS-ZIAGYGMSSA-N 0 0 300.402 3.411 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1 ZINC000076550442 400661131 /nfs/dbraw/zinc/66/11/31/400661131.db2.gz AKQLVLSWVQXTIA-UHFFFAOYSA-N 0 0 309.369 3.239 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000592595996 400672410 /nfs/dbraw/zinc/67/24/10/400672410.db2.gz RYQFBLOJYZHBEK-UHFFFAOYSA-N 0 0 304.390 3.075 10 30 DGEERN C=CCCCCCN(C)C(=O)NCc1cccnc1N(C)C ZINC000153652137 400688676 /nfs/dbraw/zinc/68/86/76/400688676.db2.gz OMXAWRNEZMNNAZ-UHFFFAOYSA-N 0 0 304.438 3.035 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000076854192 400676542 /nfs/dbraw/zinc/67/65/42/400676542.db2.gz HOVHXVBAKJZSNB-UHFFFAOYSA-N 0 0 304.415 3.130 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000076854356 400676706 /nfs/dbraw/zinc/67/67/06/400676706.db2.gz QIQGPMCJDUHEPE-UHFFFAOYSA-N 0 0 307.337 3.292 10 30 DGEERN C=CCOc1ccccc1CNCc1cn2cccc(C)c2n1 ZINC000076895086 400678848 /nfs/dbraw/zinc/67/88/48/400678848.db2.gz ULNIYWCFCOCYRR-UHFFFAOYSA-N 0 0 307.397 3.497 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000076946929 400681566 /nfs/dbraw/zinc/68/15/66/400681566.db2.gz OQWQEZWQGHLSBO-HNNXBMFYSA-N 0 0 301.434 3.045 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000076952960 400681775 /nfs/dbraw/zinc/68/17/75/400681775.db2.gz MJBDMSQDMYMVMJ-LBPRGKRZSA-N 0 0 312.360 3.340 10 30 DGEERN N#Cc1cc(COc2ccc(Br)cc2C#N)ccn1 ZINC000157939588 400721340 /nfs/dbraw/zinc/72/13/40/400721340.db2.gz APDNFWVKFPNPAW-UHFFFAOYSA-N 0 0 314.142 3.166 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1ccc(CCC(=O)OCC)cc1 ZINC000159647438 400730167 /nfs/dbraw/zinc/73/01/67/400730167.db2.gz JGCXCTNMYQUTDW-UHFFFAOYSA-N 0 0 316.401 3.388 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077699724 400742250 /nfs/dbraw/zinc/74/22/50/400742250.db2.gz IAISJMURVVIRPV-YOEHRIQHSA-N 0 0 318.417 3.314 10 30 DGEERN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000052721615 400745704 /nfs/dbraw/zinc/74/57/04/400745704.db2.gz HKWLZAQQWIABNY-UHFFFAOYSA-N 0 0 324.359 3.051 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000077861634 400752285 /nfs/dbraw/zinc/75/22/85/400752285.db2.gz GMEDNNNJPIVUJZ-CQSZACIVSA-N 0 0 318.417 3.227 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000077861000 400752322 /nfs/dbraw/zinc/75/23/22/400752322.db2.gz AMGLLTMVAGLMJK-UHFFFAOYSA-N 0 0 314.307 3.069 10 30 DGEERN C=CCOc1ccccc1CNCC(=O)Nc1cccc(F)c1 ZINC000051188839 400696086 /nfs/dbraw/zinc/69/60/86/400696086.db2.gz DJRZCIHNTBSTIV-UHFFFAOYSA-N 0 0 314.360 3.119 10 30 DGEERN C=CCC[C@@H](C(=O)NC[C@H](CC)C(=O)OC)c1ccccc1 ZINC000592853456 400709766 /nfs/dbraw/zinc/70/97/66/400709766.db2.gz KOQZBVNLLAURQT-GOEBONIOSA-N 0 0 303.402 3.052 10 30 DGEERN CC#CCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000613400445 400709965 /nfs/dbraw/zinc/70/99/65/400709965.db2.gz OPFIYYLKKVKWPS-KRWDZBQOSA-N 0 0 315.413 3.237 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@]1(C(=O)OCC)CCc2ccccc21 ZINC000613400738 400710164 /nfs/dbraw/zinc/71/01/64/400710164.db2.gz ZGNUBGNZINSCAF-IFXJQAMLSA-N 0 0 315.413 3.110 10 30 DGEERN C=CCC1(C(=O)NCc2c(C3CCC3)cnn2C)CCCC1 ZINC000619249279 400810054 /nfs/dbraw/zinc/81/00/54/400810054.db2.gz YCPGGVBGFCWSMJ-UHFFFAOYSA-N 0 0 301.434 3.440 10 30 DGEERN CC1(CS(=O)(=O)NCc2ccc(C#N)cc2F)CCCCC1 ZINC000613920184 400812351 /nfs/dbraw/zinc/81/23/51/400812351.db2.gz LOLNNVPFHBXKAE-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@@H](C)CC(=C)C ZINC000613956483 400817773 /nfs/dbraw/zinc/81/77/73/400817773.db2.gz KBXIKPQOEHPYSC-CAOSSQGBSA-N 0 0 308.466 3.200 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000613610064 400761924 /nfs/dbraw/zinc/76/19/24/400761924.db2.gz MCQZEDHDBGZKHV-INIZCTEOSA-N 0 0 306.450 3.100 10 30 DGEERN 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C=CC[C@H]1CCN(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)C1 ZINC000626588082 401377194 /nfs/dbraw/zinc/37/71/94/401377194.db2.gz ZVKCVYYGFXNPFB-XJKSGUPXSA-N 0 0 313.401 3.068 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COCc1ccccc1C ZINC000622788496 401416449 /nfs/dbraw/zinc/41/64/49/401416449.db2.gz CTJANEMVGFVMKE-UHFFFAOYSA-N 0 0 301.308 3.089 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000631160299 401411425 /nfs/dbraw/zinc/41/14/25/401411425.db2.gz PLEWLBYVPSLESN-UHFFFAOYSA-N 0 0 313.357 3.252 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000622788147 401416770 /nfs/dbraw/zinc/41/67/70/401416770.db2.gz RDYNFRODEOSCDG-KSSFIOAISA-N 0 0 303.377 3.155 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCc2c(C)cc(C)cc21 ZINC000622795413 401418260 /nfs/dbraw/zinc/41/82/60/401418260.db2.gz NWNXVHQVLCIQLZ-KRWDZBQOSA-N 0 0 314.429 3.054 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1csc(C)c1 ZINC000635208787 401420673 /nfs/dbraw/zinc/42/06/73/401420673.db2.gz XLSIXLKPDNOBQY-TZMCWYRMSA-N 0 0 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/nfs/dbraw/zinc/60/62/26/401606226.db2.gz KRUCLNSMEHMKMA-AWEZNQCLSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(C)c32)C1 ZINC000628484317 401606360 /nfs/dbraw/zinc/60/63/60/401606360.db2.gz JXPPIAUNWVPALZ-GFCCVEGCSA-N 0 0 311.385 3.447 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000628483939 401606441 /nfs/dbraw/zinc/60/64/41/401606441.db2.gz ALHYUJOZJZVLDX-OCCSQVGLSA-N 0 0 305.805 3.316 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000628485055 401606447 /nfs/dbraw/zinc/60/64/47/401606447.db2.gz AZSYXIGJSAZXPG-CQSZACIVSA-N 0 0 308.381 3.492 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 ZINC000628484946 401606460 /nfs/dbraw/zinc/60/64/60/401606460.db2.gz YQEAVTCBBJTYSY-GFCCVEGCSA-N 0 0 317.414 3.155 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000628488414 401607161 /nfs/dbraw/zinc/60/71/61/401607161.db2.gz YXNGLJFPWXXPGT-OAHLLOKOSA-N 0 0 312.413 3.002 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000628489875 401607340 /nfs/dbraw/zinc/60/73/40/401607340.db2.gz JQSUHZZQBVIVET-CABCVRRESA-N 0 0 317.429 3.307 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cnc(OCc3ccccc3)cn2)C1 ZINC000628490607 401607347 /nfs/dbraw/zinc/60/73/47/401607347.db2.gz BVTOENFWUDDOAI-HNNXBMFYSA-N 0 0 323.396 3.094 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc3nc(C(F)(F)F)cn3c2)C1 ZINC000628491111 401607569 /nfs/dbraw/zinc/60/75/69/401607569.db2.gz PGFKVEYIHUTZBJ-NSHDSACASA-N 0 0 323.318 3.391 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2oc(COC(C)(C)C)nc2C)C1 ZINC000628492707 401607630 /nfs/dbraw/zinc/60/76/30/401607630.db2.gz ACHNHRFTZHKMIK-CYBMUJFWSA-N 0 0 306.406 3.336 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cn2)C1 ZINC000628491406 401607657 /nfs/dbraw/zinc/60/76/57/401607657.db2.gz XVUWUXHXQXXGEZ-GFCCVEGCSA-N 0 0 306.793 3.123 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2N)C1 ZINC000628491962 401607781 /nfs/dbraw/zinc/60/77/81/401607781.db2.gz 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/nfs/dbraw/zinc/64/98/41/401649841.db2.gz VHNUQJBFIGPLDR-AGIUHOORSA-N 0 0 320.355 3.094 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCc1noc2ccccc12 ZINC000624327472 401651685 /nfs/dbraw/zinc/65/16/85/401651685.db2.gz DANOOXIVIHNRTI-UHFFFAOYSA-N 0 0 301.390 3.272 10 30 DGEERN C=CCOc1ccc(C(=O)NCC(=O)C2(C)CCCC2)cc1 ZINC000628999089 401655236 /nfs/dbraw/zinc/65/52/36/401655236.db2.gz NASNNWKIEROLOF-UHFFFAOYSA-N 0 0 301.386 3.131 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cccc(OC3CC3)c2F)C1 ZINC000624360299 401655554 /nfs/dbraw/zinc/65/55/54/401655554.db2.gz DFSWSYZWBLAUAU-ZDUSSCGKSA-N 0 0 318.392 3.475 10 30 DGEERN C=CCC[C@H](C(=O)N1CCO[C@H](CCF)C1)c1ccccc1 ZINC000629014521 401656925 /nfs/dbraw/zinc/65/69/25/401656925.db2.gz MNUHTWVGHSWJGV-SJORKVTESA-N 0 0 305.393 3.323 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2cnccc2C(F)(F)F)C1 ZINC000624398273 401657916 /nfs/dbraw/zinc/65/79/16/401657916.db2.gz AOANXOUHRVYRRL-LLVKDONJSA-N 0 0 313.323 3.208 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000624462901 401662230 /nfs/dbraw/zinc/66/22/30/401662230.db2.gz IZBSZVUPIJZODQ-GJZGRUSLSA-N 0 0 306.450 3.332 10 30 DGEERN C=CCC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)c1ccccc1 ZINC000629092062 401662455 /nfs/dbraw/zinc/66/24/55/401662455.db2.gz PWHQGSSMJJLLLA-CMKODMSKSA-N 0 0 313.441 3.357 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000624464092 401662679 /nfs/dbraw/zinc/66/26/79/401662679.db2.gz LRHVNVHOZIADDY-LJQANCHMSA-N 0 0 314.429 3.430 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](CO)[C@@H](C)c1ccccc1 ZINC000624464856 401662745 /nfs/dbraw/zinc/66/27/45/401662745.db2.gz RVFPQSMQUAHIBR-GOEBONIOSA-N 0 0 304.434 3.053 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000624465353 401663123 /nfs/dbraw/zinc/66/31/23/401663123.db2.gz NEJWOSRUVFVTNX-MRXNPFEDSA-N 0 0 304.434 3.054 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000624470112 401663285 /nfs/dbraw/zinc/66/32/85/401663285.db2.gz OGJRPOQKTNFCIM-AWEZNQCLSA-N 0 0 318.417 3.070 10 30 DGEERN C=C1CC(C)(C(=O)N2CCCN(c3cccc(F)c3F)CC2)C1 ZINC000633254002 401666475 /nfs/dbraw/zinc/66/64/75/401666475.db2.gz NSWZUXPJMIMOFB-UHFFFAOYSA-N 0 0 320.383 3.360 10 30 DGEERN C=C(C)CCNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633279473 401668969 /nfs/dbraw/zinc/66/89/69/401668969.db2.gz VIQWJMKSSZWHLV-ZDUSSCGKSA-N 0 0 316.323 3.004 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624544784 401670208 /nfs/dbraw/zinc/67/02/08/401670208.db2.gz DDSVWBDEMONJBT-KSZLIROESA-N 0 0 317.477 3.286 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc(OC)cc2C)no1 ZINC000624731774 401685734 /nfs/dbraw/zinc/68/57/34/401685734.db2.gz KYFPQJLMGCFCMD-OAHLLOKOSA-N 0 0 315.373 3.197 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633338322 401673713 /nfs/dbraw/zinc/67/37/13/401673713.db2.gz ROWSNKKUODRUFD-UHFFFAOYSA-N 0 0 306.454 3.408 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000633335714 401673743 /nfs/dbraw/zinc/67/37/43/401673743.db2.gz GAQXFKUFGFUPRW-MRXNPFEDSA-N 0 0 308.466 3.483 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCn2nccc21 ZINC000633344612 401674567 /nfs/dbraw/zinc/67/45/67/401674567.db2.gz YJTSHCPWUMZJJA-QLFBSQMISA-N 0 0 302.422 3.152 10 30 DGEERN C=CC[C@H]1CC[N@@H+](Cc2oc(-c3ccccc3)nc2C(=O)[O-])C1 ZINC000629366483 401680458 /nfs/dbraw/zinc/68/04/58/401680458.db2.gz OEDLMLNVYMLVQM-ZDUSSCGKSA-N 0 0 312.369 3.438 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000629427843 401685264 /nfs/dbraw/zinc/68/52/64/401685264.db2.gz XSKNOYLCDIJXTQ-SECBINFHSA-N 0 0 307.337 3.364 10 30 DGEERN COc1ccc(C)cc1[C@H](C)NC(=O)N1CC2(C1)CCCOC2 ZINC000329485068 286294447 /nfs/dbraw/zinc/29/44/47/286294447.db2.gz SNSHEIOLDGFVCN-AWEZNQCLSA-N 0 0 318.417 3.091 10 30 DGEERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 ZINC000408057578 165943997 /nfs/dbraw/zinc/94/39/97/165943997.db2.gz WLLUPLZEJZJFBR-ZQIUZPCESA-N 0 0 318.442 3.166 10 30 DGEERN CCc1cnc(CCNC(=O)Nc2cc(C#N)ccc2C)s1 ZINC000175746798 164765270 /nfs/dbraw/zinc/76/52/70/164765270.db2.gz FNDMYJAMSGBWRZ-UHFFFAOYSA-N 0 0 314.414 3.250 10 30 DGEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1ccco1 ZINC000177080813 164798401 /nfs/dbraw/zinc/79/84/01/164798401.db2.gz QNRHGEUXFUTSLP-WBVHZDCISA-N 0 0 310.353 3.202 10 30 DGEERN C[C@@H]1C[C@@H]1c1ccc(CNc2cnn(-c3ncccc3C#N)c2)o1 ZINC000185851019 165019075 /nfs/dbraw/zinc/01/90/75/165019075.db2.gz RYLLGDFLURPWCB-WBMJQRKESA-N 0 0 319.368 3.467 10 30 DGEERN CCC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccnc1 ZINC000186002227 165024135 /nfs/dbraw/zinc/02/41/35/165024135.db2.gz SKKMKYHSRHASQZ-KRWDZBQOSA-N 0 0 318.384 3.487 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000186511614 165047510 /nfs/dbraw/zinc/04/75/10/165047510.db2.gz TXIUUMYJOTXKNK-GFCCVEGCSA-N 0 0 311.410 3.232 10 30 DGEERN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000186779454 165058576 /nfs/dbraw/zinc/05/85/76/165058576.db2.gz VYBACSXDZKCUHU-MRXNPFEDSA-N 0 0 319.836 3.044 10 30 DGEERN N#Cc1ccc(N2CC[C@@H](Nc3ccsc3Cl)C2=O)cc1 ZINC000187328168 165085771 /nfs/dbraw/zinc/08/57/71/165085771.db2.gz PBIJTZSVFDEILJ-CYBMUJFWSA-N 0 0 317.801 3.491 10 30 DGEERN CCO[C@@H](CCNC(=O)C1(c2ccc(C#N)cc2)CC1)C(C)C ZINC000187864036 165105585 /nfs/dbraw/zinc/10/55/85/165105585.db2.gz PDEYHWWRWDYZSN-KRWDZBQOSA-N 0 0 314.429 3.157 10 30 DGEERN CC(C)n1c(SCc2ccc(C#N)c(F)c2)nnc1N(C)C ZINC000187982363 165107791 /nfs/dbraw/zinc/10/77/91/165107791.db2.gz DEDGLLHJJPJOCO-UHFFFAOYSA-N 0 0 319.409 3.228 10 30 DGEERN CC(C)n1ccc(=O)nc1SCc1ccc(C#N)c(F)c1 ZINC000187989603 165109318 /nfs/dbraw/zinc/10/93/18/165109318.db2.gz WOIILBGUUNPTFU-UHFFFAOYSA-N 0 0 303.362 3.127 10 30 DGEERN CC[C@]1(C)Oc2ccc(NC(=O)c3cc(C#N)cn3C)cc2O1 ZINC000188645367 165130061 /nfs/dbraw/zinc/13/00/61/165130061.db2.gz XLJJCSXNYJNPAR-QGZVFWFLSA-N 0 0 311.341 3.046 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000188901021 165141016 /nfs/dbraw/zinc/14/10/16/165141016.db2.gz GBDHWMKCOBKIGI-UHFFFAOYSA-N 0 0 319.339 3.377 10 30 DGEERN Cc1cc(C)c(C#N)c(N2CCC(Nc3nccs3)CC2)n1 ZINC000189208789 165153615 /nfs/dbraw/zinc/15/36/15/165153615.db2.gz QEYOQRNKSFBZBP-UHFFFAOYSA-N 0 0 313.430 3.108 10 30 DGEERN COc1ccc(C)cc1C[S@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190732886 165213218 /nfs/dbraw/zinc/21/32/18/165213218.db2.gz VHNWZPQXPNPGPI-JOCHJYFZSA-N 0 0 317.385 3.463 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)cc1F ZINC000190882857 165218984 /nfs/dbraw/zinc/21/89/84/165218984.db2.gz GXUOMSAMZYOKSO-UHFFFAOYSA-N 0 0 323.776 3.466 10 30 DGEERN N#Cc1ccc(CSc2nnc(NC3CC3)s2)cc1F ZINC000190991139 165223520 /nfs/dbraw/zinc/22/35/20/165223520.db2.gz FNRGIQIKRKTOOZ-UHFFFAOYSA-N 0 0 306.391 3.415 10 30 DGEERN N#Cc1ccc(CSc2nnc3n2CCCCC3)cc1F ZINC000190973935 165224053 /nfs/dbraw/zinc/22/40/53/165224053.db2.gz VYZOVFLLIOUKIC-UHFFFAOYSA-N 0 0 302.378 3.308 10 30 DGEERN C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000192162882 165284889 /nfs/dbraw/zinc/28/48/89/165284889.db2.gz RUHCMIPYHVHLSA-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN Cc1ccc(Br)cc1NC(=O)c1ccnc(C#N)c1 ZINC000192763850 165305898 /nfs/dbraw/zinc/30/58/98/165305898.db2.gz ZGGJHMWJJSJHKT-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CCN(C(=O)c1ccnc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000192858722 165307583 /nfs/dbraw/zinc/30/75/83/165307583.db2.gz AKCDYDVHZPSODO-ZDUSSCGKSA-N 0 0 304.353 3.048 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccn1 ZINC000192962902 165312822 /nfs/dbraw/zinc/31/28/22/165312822.db2.gz KBMUKUJMZKSQDC-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(Cc3ccccc3)cs2)ccn1 ZINC000193799106 165331036 /nfs/dbraw/zinc/33/10/36/165331036.db2.gz CIZAFWTUPKZRHC-UHFFFAOYSA-N 0 0 320.377 3.253 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)ccn1 ZINC000194341392 165342825 /nfs/dbraw/zinc/34/28/25/165342825.db2.gz BLYDJFADMUYFLI-UHFFFAOYSA-N 0 0 313.307 3.036 10 30 DGEERN C[C@@H](CNc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000194692860 165352872 /nfs/dbraw/zinc/35/28/72/165352872.db2.gz RWSGLUWTGPXYAO-AWEZNQCLSA-N 0 0 303.369 3.355 10 30 DGEERN Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])c(C#N)n3)ccc12 ZINC000302746455 165897510 /nfs/dbraw/zinc/89/75/10/165897510.db2.gz SYVGGVZQDTYYIK-UHFFFAOYSA-N 0 0 323.264 3.069 10 30 DGEERN CCc1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)cs1 ZINC000129380266 196043481 /nfs/dbraw/zinc/04/34/81/196043481.db2.gz SRWNIJBHNBVPNP-UHFFFAOYSA-N 0 0 309.398 3.192 10 30 DGEERN N#CC1(NC(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1 ZINC000190483141 432161956 /nfs/dbraw/zinc/16/19/56/432161956.db2.gz VXPIFOWTDHDZPT-UHFFFAOYSA-N 0 0 300.255 3.411 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190415808 432154308 /nfs/dbraw/zinc/15/43/08/432154308.db2.gz WHZJXLPLCIXWRJ-AWEZNQCLSA-N 0 0 306.431 3.037 10 30 DGEERN N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCCOC3)c2)cc1 ZINC000171675881 432158714 /nfs/dbraw/zinc/15/87/14/432158714.db2.gz SLTLAIMDKNCTPM-MRXNPFEDSA-N 0 0 322.364 3.259 10 30 DGEERN C[C@@H]1CC(C(=O)N[C@H](C#N)c2ccccc2Cl)C[C@@H](C)O1 ZINC000246763756 432163511 /nfs/dbraw/zinc/16/35/11/432163511.db2.gz PPZUXOMTYJGLIS-UEKVPHQBSA-N 0 0 306.793 3.224 10 30 DGEERN Cc1cc(CS(=O)(=O)Cc2ccc(C#N)c(F)c2)c(C)s1 ZINC000190917116 432200798 /nfs/dbraw/zinc/20/07/98/432200798.db2.gz CSXRCHOTPPSTQU-UHFFFAOYSA-N 0 0 323.414 3.491 10 30 DGEERN COCc1noc([C@@H](C)SCc2ccc(C#N)c(F)c2)n1 ZINC000191012550 432210526 /nfs/dbraw/zinc/21/05/26/432210526.db2.gz FBXMAXZWQWNATP-SECBINFHSA-N 0 0 307.350 3.221 10 30 DGEERN N#Cc1ccc2ncc(/C=C3/COc4c(F)cccc4C3=O)n2c1 ZINC000172522910 432218422 /nfs/dbraw/zinc/21/84/22/432218422.db2.gz BSAYBTOCPDEBII-SDQBBNPISA-N 0 0 319.295 3.004 10 30 DGEERN CC(C)COc1ccc([C@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182718574 432222991 /nfs/dbraw/zinc/22/29/91/432222991.db2.gz YHLXGEXMOKWWEB-KGLIPLIRSA-N 0 0 303.406 3.241 10 30 DGEERN N#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000133804654 196337037 /nfs/dbraw/zinc/33/70/37/196337037.db2.gz YXHZXWAFNSXSFH-OAHLLOKOSA-N 0 0 313.382 3.225 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000134109880 196362235 /nfs/dbraw/zinc/36/22/35/196362235.db2.gz QEERSOXKWLZTAG-IAGOWNOFSA-N 0 0 312.413 3.368 10 30 DGEERN C=CCCCN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000135271263 196459705 /nfs/dbraw/zinc/45/97/05/196459705.db2.gz UEDJNYYJOUGKHE-UHFFFAOYSA-N 0 0 301.346 3.043 10 30 DGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000117776297 226946410 /nfs/dbraw/zinc/94/64/10/226946410.db2.gz LKGSICAXZBCPRB-CXAGYDPISA-N 0 0 310.353 3.087 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000184575658 335079168 /nfs/dbraw/zinc/07/91/68/335079168.db2.gz HREGJXDXEJEQDB-AWEZNQCLSA-N 0 0 313.401 3.099 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000184608822 335080635 /nfs/dbraw/zinc/08/06/35/335080635.db2.gz PIRHZSQHNYXVKV-PBHICJAKSA-N 0 0 305.418 3.226 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000160851509 228249496 /nfs/dbraw/zinc/24/94/96/228249496.db2.gz OHDKOQAVEZRTRX-UHFFFAOYSA-N 0 0 316.364 3.187 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000161326627 228251470 /nfs/dbraw/zinc/25/14/70/228251470.db2.gz DIFHGJKTRWJAND-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN N#CC1(C(=O)N2CCO[C@H](c3cccs3)C2)CCCCC1 ZINC000161969762 228255428 /nfs/dbraw/zinc/25/54/28/228255428.db2.gz HZVFGEWEHUXFQA-ZDUSSCGKSA-N 0 0 304.415 3.122 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)s1 ZINC000176741756 228319321 /nfs/dbraw/zinc/31/93/21/228319321.db2.gz JYOHPQHIRXGKAL-KANYHAFZSA-N 0 0 321.446 3.361 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000177449697 228330559 /nfs/dbraw/zinc/33/05/59/228330559.db2.gz QWMJIKVTAKYLNQ-UHFFFAOYSA-N 0 0 307.275 3.254 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000178582420 228343586 /nfs/dbraw/zinc/34/35/86/228343586.db2.gz DTSKEMYFVJBRLN-UHFFFAOYSA-N 0 0 309.325 3.047 10 30 DGEERN C[C@@H]1CC(C(=O)N[C@@H](C#N)c2ccccc2Cl)C[C@@H](C)O1 ZINC000179570452 228352499 /nfs/dbraw/zinc/35/24/99/228352499.db2.gz PPZUXOMTYJGLIS-HFAKWTLXSA-N 0 0 306.793 3.224 10 30 DGEERN Cn1ncc2c1CC/C(=C/c1c(C3CC3)nc3sccn13)C2=O ZINC000180561986 228357697 /nfs/dbraw/zinc/35/76/97/228357697.db2.gz JWFMJZDHWJVEJP-FLIBITNWSA-N 0 0 324.409 3.219 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCCCCC#N ZINC000183928358 228378889 /nfs/dbraw/zinc/37/88/89/228378889.db2.gz WPFLKUPYOAZZLQ-LBPRGKRZSA-N 0 0 305.426 3.001 10 30 DGEERN C[C@H](C#N)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000182174512 228366174 /nfs/dbraw/zinc/36/61/74/228366174.db2.gz QUPHOEBWMVMVMM-SNVBAGLBSA-N 0 0 309.772 3.042 10 30 DGEERN COCc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187777938 228441515 /nfs/dbraw/zinc/44/15/15/228441515.db2.gz SVZLSAOXTLVODB-UHFFFAOYSA-N 0 0 306.365 3.375 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3cnc4ccccc4n3)CC2)cc1 ZINC000189198718 228478574 /nfs/dbraw/zinc/47/85/74/228478574.db2.gz WCRFFENUATUMLC-UHFFFAOYSA-N 0 0 314.348 3.172 10 30 DGEERN COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc(C#N)cc1C ZINC000194798402 228597701 /nfs/dbraw/zinc/59/77/01/228597701.db2.gz WPYLNTZUYYQYKM-UHFFFAOYSA-N 0 0 306.325 3.004 10 30 DGEERN O=C(NCC[C@@H]1CCCCO1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329657918 228953709 /nfs/dbraw/zinc/95/37/09/228953709.db2.gz GYXMGGPFRLVIQF-IRXDYDNUSA-N 0 0 324.465 3.141 10 30 DGEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc2nc(N(C)C)oc2c1 ZINC000330042314 228972967 /nfs/dbraw/zinc/97/29/67/228972967.db2.gz DOTNNEBCUDCFJS-PWSUYJOCSA-N 0 0 303.362 3.297 10 30 DGEERN Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc(C2CC2)cc1 ZINC000330061537 228973886 /nfs/dbraw/zinc/97/38/86/228973886.db2.gz OKSXCEZLPNAWFD-KRWDZBQOSA-N 0 0 324.428 3.379 10 30 DGEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000330082983 228975366 /nfs/dbraw/zinc/97/53/66/228975366.db2.gz KMRQBHFCVNXFCB-UQOMUDLDSA-N 0 0 317.389 3.210 10 30 DGEERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000330072348 228975538 /nfs/dbraw/zinc/97/55/38/228975538.db2.gz YZLAPALLJLDTDA-CZUORRHYSA-N 0 0 316.401 3.326 10 30 DGEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000330072345 228975597 /nfs/dbraw/zinc/97/55/97/228975597.db2.gz YZLAPALLJLDTDA-BBRMVZONSA-N 0 0 316.401 3.326 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000333064725 229036706 /nfs/dbraw/zinc/03/67/06/229036706.db2.gz FMDCLLWGFGHGCJ-HRCADAONSA-N 0 0 319.449 3.250 10 30 DGEERN N#C[C@@]1(C(=O)N2CCO[C@H](C3CCCCC3)C2)CC12CCCC2 ZINC000333668429 229039114 /nfs/dbraw/zinc/03/91/14/229039114.db2.gz IKGOMRUGBFIMMX-QFBILLFUSA-N 0 0 316.445 3.268 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CSCc1cccc(Cl)c1 ZINC000359691319 229382441 /nfs/dbraw/zinc/38/24/41/229382441.db2.gz YTAAPKOVFAXDTP-OCCSQVGLSA-N 0 0 308.834 3.382 10 30 DGEERN CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CC#N ZINC000358731650 229365136 /nfs/dbraw/zinc/36/51/36/229365136.db2.gz HIBKSMZNRJNFEA-CYBMUJFWSA-N 0 0 322.416 3.195 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CSCc1ccc(Cl)cc1 ZINC000359674437 229382995 /nfs/dbraw/zinc/38/29/95/229382995.db2.gz PGWGEUWWAOSZBU-OCCSQVGLSA-N 0 0 308.834 3.382 10 30 DGEERN Cc1nnc(N2CCC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000301279149 229602709 /nfs/dbraw/zinc/60/27/09/229602709.db2.gz JTJPEIDWDDRJKO-INIZCTEOSA-N 0 0 322.412 3.261 10 30 DGEERN N#Cc1cc(Cl)ccc1N1CCN(CC2CCCC2)C(=O)C1 ZINC000301796622 229900336 /nfs/dbraw/zinc/90/03/36/229900336.db2.gz AMMMLOVIDPMAMG-UHFFFAOYSA-N 0 0 317.820 3.050 10 30 DGEERN CC[C@@H](NC(=O)c1ccnc(C#N)c1)C(C)(C)c1ccccc1 ZINC000193337004 263792380 /nfs/dbraw/zinc/79/23/80/263792380.db2.gz GPELXYZEUFENOH-QGZVFWFLSA-N 0 0 307.397 3.439 10 30 DGEERN N#Cc1cccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)c1 ZINC000049928503 270003354 /nfs/dbraw/zinc/00/33/54/270003354.db2.gz HSDKKADROFIZMP-UHFFFAOYSA-N 0 0 314.291 3.438 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)CCOCC(C)C ZINC000359785589 270004325 /nfs/dbraw/zinc/00/43/25/270004325.db2.gz BKEWUQKHOWTPKV-UHFFFAOYSA-N 0 0 303.406 3.381 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC2(CC2)CC1 ZINC000370875695 265894773 /nfs/dbraw/zinc/89/47/73/265894773.db2.gz HNPHTERAUWNROR-QGZVFWFLSA-N 0 0 312.413 3.364 10 30 DGEERN N#CCc1ccc(NC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000182842501 432234741 /nfs/dbraw/zinc/23/47/41/432234741.db2.gz MLQZKXSKXZTDKZ-UHFFFAOYSA-N 0 0 300.749 3.123 10 30 DGEERN Cc1ccc(OC2CCN(Cc3ccccc3C#N)CC2)nc1 ZINC000182842231 432235328 /nfs/dbraw/zinc/23/53/28/432235328.db2.gz IFAYSTOPUCWPJO-UHFFFAOYSA-N 0 0 307.397 3.305 10 30 DGEERN CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000523417490 267205990 /nfs/dbraw/zinc/20/59/90/267205990.db2.gz DTJNUIMDUGGWIZ-LRDDRELGSA-N 0 0 324.421 3.287 10 30 DGEERN C[C@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H](c2ccccc2)O1 ZINC000362914721 267225411 /nfs/dbraw/zinc/22/54/11/267225411.db2.gz YWNLKNCGYGSTHI-SWLSCSKDSA-N 0 0 312.394 3.222 10 30 DGEERN CCn1c2ccccc2nc1NC(=O)Cc1cccc(C#N)c1 ZINC000530671959 267250779 /nfs/dbraw/zinc/25/07/79/267250779.db2.gz LDPSYISCGYBLGG-UHFFFAOYSA-N 0 0 304.353 3.109 10 30 DGEERN CN(C(=O)Cc1cccc(C#N)c1)C1C2CC3CC(C2)CC1C3 ZINC000530915962 267272844 /nfs/dbraw/zinc/27/28/44/267272844.db2.gz XWBFTWZIRQTGKX-UHFFFAOYSA-N 0 0 308.425 3.384 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000376107201 267314185 /nfs/dbraw/zinc/31/41/85/267314185.db2.gz QIWQVMMJIKBMAG-UHFFFAOYSA-N 0 0 319.368 3.182 10 30 DGEERN N#Cc1cccc(Cl)c1NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374573511 268256751 /nfs/dbraw/zinc/25/67/51/268256751.db2.gz ZRUIFZYCQQJMDR-CJNGLKHVSA-N 0 0 320.820 3.191 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000520686644 268276270 /nfs/dbraw/zinc/27/62/70/268276270.db2.gz VRLLRVVVQRQVFR-QGZVFWFLSA-N 0 0 312.413 3.099 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCCOc3ccccc32)c1 ZINC000531154052 268276982 /nfs/dbraw/zinc/27/69/82/268276982.db2.gz RMFWVVDVRPMMND-QGZVFWFLSA-N 0 0 306.365 3.131 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCCOc3ccccc32)c1 ZINC000531154050 268277492 /nfs/dbraw/zinc/27/74/92/268277492.db2.gz RMFWVVDVRPMMND-KRWDZBQOSA-N 0 0 306.365 3.131 10 30 DGEERN N#Cc1ccnc(NC(=O)c2csc(Cc3ccccc3)n2)c1 ZINC000357422973 268296941 /nfs/dbraw/zinc/29/69/41/268296941.db2.gz FEXNEXWBOPPUTJ-UHFFFAOYSA-N 0 0 320.377 3.253 10 30 DGEERN N#Cc1ccnc(NC(=O)c2nc3ccccc3cc2Cl)c1 ZINC000362117236 268297261 /nfs/dbraw/zinc/29/72/61/268297261.db2.gz JLKRJPOMVOAXLS-UHFFFAOYSA-N 0 0 308.728 3.407 10 30 DGEERN CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000151474179 432249026 /nfs/dbraw/zinc/24/90/26/432249026.db2.gz JBIONZYTEUAUNC-UHFFFAOYSA-N 0 0 304.346 3.061 10 30 DGEERN CCOc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)ccc1C ZINC000173099994 432257802 /nfs/dbraw/zinc/25/78/02/432257802.db2.gz KZCPKGQQLYLNJP-UHFFFAOYSA-N 0 0 305.337 3.389 10 30 DGEERN C#Cc1cccc(N2C(=O)[C@H]3C[C@H](C4CCCCC4)CN3C2=O)c1 ZINC000373077036 275388197 /nfs/dbraw/zinc/38/81/97/275388197.db2.gz BMOYKHWTXHMFTP-FUHWJXTLSA-N 0 0 322.408 3.405 10 30 DGEERN C(#Cc1ccccc1)CN1CCSC[C@@H]1c1nccs1 ZINC000276923477 275388701 /nfs/dbraw/zinc/38/87/01/275388701.db2.gz HNVCYFSWWDKURJ-OAHLLOKOSA-N 0 0 300.452 3.285 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cn(C)nc1C(C)C ZINC000287196455 275718808 /nfs/dbraw/zinc/71/88/08/275718808.db2.gz OMBSIBILQIGVAG-MRXNPFEDSA-N 0 0 324.428 3.300 10 30 DGEERN CC1(C)C[C@@H](NC(=O)c2ccc(C#N)c(O)c2)c2ccccc2O1 ZINC000188757806 275858890 /nfs/dbraw/zinc/85/88/90/275858890.db2.gz PFRDEVQGDXCBRS-OAHLLOKOSA-N 0 0 322.364 3.296 10 30 DGEERN C=CC[C@@H](CO)CNc1ncc(F)c(Oc2ccccc2F)n1 ZINC000527943613 429825095 /nfs/dbraw/zinc/82/50/95/429825095.db2.gz AYBDACBGUGXNTM-LLVKDONJSA-N 0 0 321.327 3.144 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(C)n(CC(F)(F)F)n2)C1 ZINC000626589995 429951324 /nfs/dbraw/zinc/95/13/24/429951324.db2.gz UCXZASVKGFCPJQ-LLVKDONJSA-N 0 0 316.327 3.184 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)C1 ZINC000632573474 429992022 /nfs/dbraw/zinc/99/20/22/429992022.db2.gz BJRSLQYESSTGBY-UHFFFAOYSA-N 0 0 311.385 3.235 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCOC2 ZINC000416105127 276865979 /nfs/dbraw/zinc/86/59/79/276865979.db2.gz DLYCULBUPOUMTI-JTQLQIEISA-N 0 0 323.414 3.148 10 30 DGEERN C=CCC1(CN2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)CCCC1 ZINC000420061166 276882965 /nfs/dbraw/zinc/88/29/65/276882965.db2.gz LTMAXIPEOACNKR-ILXRZTDVSA-N 0 0 302.418 3.186 10 30 DGEERN C=CCn1c(N2CCCC[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453435731 276912458 /nfs/dbraw/zinc/91/24/58/276912458.db2.gz GYNKRSZNCLJQSI-WMLDXEAASA-N 0 0 304.438 3.116 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(-c3ccccc3)[nH]n2)c1 ZINC000531157264 430133450 /nfs/dbraw/zinc/13/34/50/430133450.db2.gz GCXKWRVAPCDHKG-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN C=C(C)Cn1c(N(CC)CC(C)C)nnc1[C@]1(C)CCCO1 ZINC000453470618 277785564 /nfs/dbraw/zinc/78/55/64/277785564.db2.gz QKGBUFMIASOAFX-KRWDZBQOSA-N 0 0 306.454 3.362 10 30 DGEERN C=C(C)Cn1c(N2CCCC2(C)C)nnc1[C@]1(C)CCCO1 ZINC000453463676 277785584 /nfs/dbraw/zinc/78/55/84/277785584.db2.gz JDJXJOMJLIPLED-KRWDZBQOSA-N 0 0 304.438 3.259 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453449702 277785872 /nfs/dbraw/zinc/78/58/72/277785872.db2.gz FNSWTHHEQNGXIZ-YJBOKZPZSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@@H]1CCSC1 ZINC000424247173 277786521 /nfs/dbraw/zinc/78/65/21/277786521.db2.gz NAEKMNRVGKBWEL-OLZOCXBDSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(CC)on1 ZINC000606960572 430557855 /nfs/dbraw/zinc/55/78/55/430557855.db2.gz ROZJYKZPZBDUKB-UHFFFAOYSA-N 0 0 315.373 3.466 10 30 DGEERN C=CCCS(=O)(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000481014965 277833673 /nfs/dbraw/zinc/83/36/73/277833673.db2.gz HDJISJWEPZCKFM-MRXNPFEDSA-N 0 0 313.438 3.231 10 30 DGEERN N#Cc1ccc(N[C@H]2C[C@@H]2c2cccc(Br)c2)nn1 ZINC000611240392 430567939 /nfs/dbraw/zinc/56/79/39/430567939.db2.gz GBCAYMYKKOJNEK-OLZOCXBDSA-N 0 0 315.174 3.079 10 30 DGEERN Cc1cn(-c2ccccc2)nc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000611557253 430569041 /nfs/dbraw/zinc/56/90/41/430569041.db2.gz VHSAXTJRZVZKTL-UHFFFAOYSA-N 0 0 323.400 3.338 10 30 DGEERN CC(C)[C@H](O)C1(CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619697347 430597473 /nfs/dbraw/zinc/59/74/73/430597473.db2.gz XYHXLFSEOWGJGO-ZDUSSCGKSA-N 0 0 313.323 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000459011009 277904561 /nfs/dbraw/zinc/90/45/61/277904561.db2.gz BUZRXPPAYFWUFS-KBXIAJHMSA-N 0 0 304.390 3.106 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)Nc1cccc(C#N)c1 ZINC000174444523 278213824 /nfs/dbraw/zinc/21/38/24/278213824.db2.gz GYMQDNANCNYQJR-CQSZACIVSA-N 0 0 309.369 3.285 10 30 DGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC#Cc1ccccc1 ZINC000471595234 279097832 /nfs/dbraw/zinc/09/78/32/279097832.db2.gz SJCPBOGSEKBZNO-TZMCWYRMSA-N 0 0 310.319 3.020 10 30 DGEERN C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1ccnc(C#N)c1 ZINC000193661726 279109192 /nfs/dbraw/zinc/10/91/92/279109192.db2.gz OGPOTFAUUOVRHL-NEPJUHHUSA-N 0 0 309.394 3.483 10 30 DGEERN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(C#N)o2)o1 ZINC000092355621 279231658 /nfs/dbraw/zinc/23/16/58/279231658.db2.gz VDTMVACDCGRZKO-KRWDZBQOSA-N 0 0 320.352 3.142 10 30 DGEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109085195 431168634 /nfs/dbraw/zinc/16/86/34/431168634.db2.gz CCOFVMMBAYSWCS-HUUCEWRRSA-N 0 0 312.319 3.256 10 30 DGEERN CC(C)c1ccc([C@H](C)NS(=O)(=O)CCCCC#N)cc1 ZINC000068872339 431148031 /nfs/dbraw/zinc/14/80/31/431148031.db2.gz OLJAEMKDUJCLQH-AWEZNQCLSA-N 0 0 308.447 3.484 10 30 DGEERN N#C[C@@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C1CC1 ZINC000108829293 431156090 /nfs/dbraw/zinc/15/60/90/431156090.db2.gz MPZQMEGBFYCFOR-GFCCVEGCSA-N 0 0 313.184 3.181 10 30 DGEERN COc1ccc2cc([C@H](C)C(=O)N[C@@H](C#N)C3CC3)ccc2c1 ZINC000108831775 431157210 /nfs/dbraw/zinc/15/72/10/431157210.db2.gz ZOSSGMKYTQLNPQ-SGTLLEGYSA-N 0 0 308.381 3.370 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)s2)on1)C1CC1 ZINC000108842366 431158900 /nfs/dbraw/zinc/15/89/00/431158900.db2.gz BGRCJQGLIFHUHH-SECBINFHSA-N 0 0 307.762 3.088 10 30 DGEERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)C2)c1 ZINC000111715135 431235529 /nfs/dbraw/zinc/23/55/29/431235529.db2.gz RUYCPFUFKZCCDN-KRWDZBQOSA-N 0 0 323.400 3.127 10 30 DGEERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](C#N)C1CC1 ZINC000112908440 431316296 /nfs/dbraw/zinc/31/62/96/431316296.db2.gz MMBGEZSKFLWASA-GZMMTYOYSA-N 0 0 313.184 3.179 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(CCC)no1 ZINC000073717774 431379228 /nfs/dbraw/zinc/37/92/28/431379228.db2.gz VXCFFPPPOXCVJE-UHFFFAOYSA-N 0 0 303.318 3.238 10 30 DGEERN C[C@H]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)C2)C1 ZINC000408105006 279762583 /nfs/dbraw/zinc/76/25/83/279762583.db2.gz GEUPTWOXFJEWPS-ZBEGNZNMSA-N 0 0 300.362 3.065 10 30 DGEERN N#Cc1ccccc1S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114499861 431394811 /nfs/dbraw/zinc/39/48/11/431394811.db2.gz RPJXKSWEUINEIW-QGZVFWFLSA-N 0 0 316.426 3.069 10 30 DGEERN N#Cc1cccc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000114499726 431395619 /nfs/dbraw/zinc/39/56/19/431395619.db2.gz RLXGFOKLIFUHFK-KRWDZBQOSA-N 0 0 316.426 3.069 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1nc(COC)cs1 ZINC000115244134 431442904 /nfs/dbraw/zinc/44/29/04/431442904.db2.gz LPKNYROGQRKCSS-UHFFFAOYSA-N 0 0 304.371 3.107 10 30 DGEERN Cn1ncc2c1ncnc2SCC#Cc1ccc(Cl)cc1 ZINC000075094309 431450428 /nfs/dbraw/zinc/45/04/28/431450428.db2.gz AOTZHOUUKVVWPL-UHFFFAOYSA-N 0 0 314.801 3.161 10 30 DGEERN CCSCC[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075380391 431473072 /nfs/dbraw/zinc/47/30/72/431473072.db2.gz OAMVTVJGROLWQS-UONOGXRCSA-N 0 0 320.458 3.316 10 30 DGEERN N#CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116040097 431481251 /nfs/dbraw/zinc/48/12/51/431481251.db2.gz QJQNDUZXFQKGMW-MRXNPFEDSA-N 0 0 310.353 3.088 10 30 DGEERN COc1ccc(-c2ncnc3c(C#N)c4ccccn4c32)cc1 ZINC000009408800 431433484 /nfs/dbraw/zinc/43/34/84/431433484.db2.gz OHRYLDVHMUGEEX-UHFFFAOYSA-N 0 0 300.321 3.430 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 ZINC000116855768 431532259 /nfs/dbraw/zinc/53/22/59/431532259.db2.gz VRZYMRXJTVGCPL-LLVKDONJSA-N 0 0 317.414 3.365 10 30 DGEERN C=CC[C@@H](C)NC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000116941105 431540535 /nfs/dbraw/zinc/54/05/35/431540535.db2.gz WMTOBKIYMLNURM-SNVBAGLBSA-N 0 0 314.332 3.060 10 30 DGEERN C=CC[C@H](C)NC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000116941103 431540796 /nfs/dbraw/zinc/54/07/96/431540796.db2.gz WMTOBKIYMLNURM-JTQLQIEISA-N 0 0 314.332 3.060 10 30 DGEERN C/C(=N\N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000013113669 431546263 /nfs/dbraw/zinc/54/62/63/431546263.db2.gz WOEFJMWTXLNPPN-XDJHFCHBSA-N 0 0 324.384 3.141 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000076491173 431552007 /nfs/dbraw/zinc/55/20/07/431552007.db2.gz AXUCUJFKYWARFR-UHFFFAOYSA-N 0 0 301.365 3.358 10 30 DGEERN C=CCCCN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000076489338 431552190 /nfs/dbraw/zinc/55/21/90/431552190.db2.gz JUTCWHBSBNPZRU-MRXNPFEDSA-N 0 0 322.836 3.332 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000076492264 431553813 /nfs/dbraw/zinc/55/38/13/431553813.db2.gz OYSSBWZMAIGYRU-KRWDZBQOSA-N 0 0 303.402 3.283 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1nc2ccccc2n1CC ZINC000076953601 431565437 /nfs/dbraw/zinc/56/54/37/431565437.db2.gz NJIGHBNCTCTATE-UHFFFAOYSA-N 0 0 314.433 3.206 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000076940008 431566198 /nfs/dbraw/zinc/56/61/98/431566198.db2.gz HROMMWVYFNFZPM-CYBMUJFWSA-N 0 0 304.390 3.126 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCCC2)c(Br)s1 ZINC000408004035 280346571 /nfs/dbraw/zinc/34/65/71/280346571.db2.gz VWTHJLSXTDWODD-UHFFFAOYSA-N 0 0 313.220 3.385 10 30 DGEERN Cc1csc([C@H]2CN([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000118395901 431603423 /nfs/dbraw/zinc/60/34/23/431603423.db2.gz PPHMQSGYABNRFZ-XJKSGUPXSA-N 0 0 313.426 3.458 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2ncc(C(C)=O)s2)cc1 ZINC000118631373 431610706 /nfs/dbraw/zinc/61/07/06/431610706.db2.gz MTCNAUBGRZWJCS-UHFFFAOYSA-N 0 0 302.355 3.163 10 30 DGEERN COc1cccc([C@H]2CN(Cc3cccc(C#N)c3)CCO2)c1 ZINC000119216944 431661396 /nfs/dbraw/zinc/66/13/96/431661396.db2.gz OVSNTZKGDXCNIA-LJQANCHMSA-N 0 0 308.381 3.140 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC#N)CCC(C)C ZINC000078419656 431667451 /nfs/dbraw/zinc/66/74/51/431667451.db2.gz KODCXDPCYMAHHP-UHFFFAOYSA-N 0 0 303.362 3.305 10 30 DGEERN Cc1nc(CN(C)Cc2cccc(C#N)c2)nc2ccccc12 ZINC000026331375 431672167 /nfs/dbraw/zinc/67/21/67/431672167.db2.gz RPLKMRKXSBYDSB-UHFFFAOYSA-N 0 0 302.381 3.442 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCc2occc21 ZINC000119521359 431700804 /nfs/dbraw/zinc/70/08/04/431700804.db2.gz CEOQDJNMHBXDFM-IUODEOHRSA-N 0 0 310.353 3.112 10 30 DGEERN C=CCn1c(C)nnc1SCc1nc2cc(F)ccc2o1 ZINC000119927798 431718650 /nfs/dbraw/zinc/71/86/50/431718650.db2.gz WGNDGOUVVQLAOW-UHFFFAOYSA-N 0 0 304.350 3.345 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)C1CCOCC1 ZINC000121515682 431797190 /nfs/dbraw/zinc/79/71/90/431797190.db2.gz KITGIXMARRACGM-HNNXBMFYSA-N 0 0 317.429 3.273 10 30 DGEERN O[C@H](CN[C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000122137109 431813219 /nfs/dbraw/zinc/81/32/19/431813219.db2.gz QUPPWMCQYYYTHC-VXNVDRBHSA-N 0 0 323.183 3.081 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000080924884 431779282 /nfs/dbraw/zinc/77/92/82/431779282.db2.gz CWSLJHVVYMEJSY-UHFFFAOYSA-N 0 0 308.366 3.273 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000081053848 431782544 /nfs/dbraw/zinc/78/25/44/431782544.db2.gz PMGGYHBWINSWJE-UHFFFAOYSA-N 0 0 309.369 3.076 10 30 DGEERN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(C#N)cn2C)C2CC2)o1 ZINC000081012326 431784189 /nfs/dbraw/zinc/78/41/89/431784189.db2.gz SRTUQZPMDKSVDF-WBMJQRKESA-N 0 0 323.396 3.418 10 30 DGEERN CCSCc1ccnc(NCc2cnc3ccc(C#N)cn23)c1 ZINC000123306889 431861891 /nfs/dbraw/zinc/86/18/91/431861891.db2.gz CMWOKFFFXBHDHK-UHFFFAOYSA-N 0 0 323.425 3.466 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccnc(OC2CCC2)c1 ZINC000089569631 431870369 /nfs/dbraw/zinc/87/03/69/431870369.db2.gz MNMVJDRRFSTVOT-UHFFFAOYSA-N 0 0 314.307 3.203 10 30 DGEERN COc1ccc(C(C)N=Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000035003258 431821407 /nfs/dbraw/zinc/82/14/07/431821407.db2.gz JMXPKGQBNOZJNF-BOPFTXTBSA-N 0 0 315.329 3.448 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NC(C)(CC)CC)cc1 ZINC000084318200 431821747 /nfs/dbraw/zinc/82/17/47/431821747.db2.gz AJXTZARCSRQTCW-UHFFFAOYSA-N 0 0 303.406 3.303 10 30 DGEERN COc1ccc(CNc2ccccc2N2CCCC2=O)cc1C#N ZINC000124936065 431908924 /nfs/dbraw/zinc/90/89/24/431908924.db2.gz PWTLAACBDOMFRY-UHFFFAOYSA-N 0 0 321.380 3.306 10 30 DGEERN N#Cc1nccn1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000123938964 431878499 /nfs/dbraw/zinc/87/84/99/431878499.db2.gz FCPJUTPMJRRHRI-UHFFFAOYSA-N 0 0 324.771 3.430 10 30 DGEERN Cc1ocnc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101500 431903265 /nfs/dbraw/zinc/90/32/65/431903265.db2.gz BVRLLCJADKJGJL-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCCOC2)cc1 ZINC000091101387 431903297 /nfs/dbraw/zinc/90/32/97/431903297.db2.gz CHJFKQXLPKFKFB-SFHVURJKSA-N 0 0 320.392 3.268 10 30 DGEERN N#Cc1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000048652625 431929024 /nfs/dbraw/zinc/92/90/24/431929024.db2.gz SLOATVLLGTUWQO-UHFFFAOYSA-N 0 0 310.737 3.152 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)Cc1ccc(OC)cc1 ZINC000125559056 431930091 /nfs/dbraw/zinc/93/00/91/431930091.db2.gz XPLROUQTHDMTAW-OAHLLOKOSA-N 0 0 304.434 3.481 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3ccsc3)C2)c(F)c1 ZINC000125952437 431938342 /nfs/dbraw/zinc/93/83/42/431938342.db2.gz HENBXLMDDOQMJO-MRXNPFEDSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000049706306 431942227 /nfs/dbraw/zinc/94/22/27/431942227.db2.gz ZGJKKZDIQFQBOK-UHFFFAOYSA-N 0 0 324.355 3.381 10 30 DGEERN C=CCN(CC=C)C(=O)COc1ccc(/C=C/C)cc1OC ZINC000049824709 431944202 /nfs/dbraw/zinc/94/42/02/431944202.db2.gz GHIMLMBUDJLRGM-VMPITWQZSA-N 0 0 301.386 3.308 10 30 DGEERN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C#N ZINC000049990615 431945868 /nfs/dbraw/zinc/94/58/68/431945868.db2.gz CZCDLNVIMHKMJC-UHFFFAOYSA-N 0 0 300.383 3.082 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000126521361 431952494 /nfs/dbraw/zinc/95/24/94/431952494.db2.gz IRKFYWZGYRTVOF-AAEUAGOBSA-N 0 0 300.324 3.424 10 30 DGEERN C[C@H](Nc1nccnc1C#N)c1cccc(Br)c1 ZINC000054377573 431970538 /nfs/dbraw/zinc/97/05/38/431970538.db2.gz IFPHJYATEXGZQI-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@H](c2cccc(Cl)c2)O1 ZINC000100297268 431981382 /nfs/dbraw/zinc/98/13/82/431981382.db2.gz PSFLMNWZJGJGHP-INIZCTEOSA-N 0 0 314.772 3.272 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(F)(F)CO ZINC000191496755 432270890 /nfs/dbraw/zinc/27/08/90/432270890.db2.gz CBXWWQJJOPABIL-UHFFFAOYSA-N 0 0 312.360 3.288 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183276773 432275601 /nfs/dbraw/zinc/27/56/01/432275601.db2.gz XWGJWUFFXSPDIH-MRXNPFEDSA-N 0 0 309.373 3.349 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000151860712 432282807 /nfs/dbraw/zinc/28/28/07/432282807.db2.gz QPIFWLAFDNSGCA-CPUCHLNUSA-N 0 0 321.392 3.095 10 30 DGEERN N#CCCCCS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000059589940 431999015 /nfs/dbraw/zinc/99/90/15/431999015.db2.gz ZQWLYNUQJYRMRN-UHFFFAOYSA-N 0 0 322.361 3.089 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000128835369 432001296 /nfs/dbraw/zinc/00/12/96/432001296.db2.gz JJSCWTGKRXTTPQ-MRXNPFEDSA-N 0 0 300.402 3.144 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000174221252 432330323 /nfs/dbraw/zinc/33/03/23/432330323.db2.gz QWJGNIIXRUINHS-KBPBESRZSA-N 0 0 320.408 3.074 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000192066303 432330965 /nfs/dbraw/zinc/33/09/65/432330965.db2.gz INEWIWNTVBVWGP-FRQCXROJSA-N 0 0 303.446 3.335 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192076896 432331106 /nfs/dbraw/zinc/33/11/06/432331106.db2.gz JNJURGPNRXMGSC-QGZVFWFLSA-N 0 0 306.365 3.302 10 30 DGEERN C#CCCCC(=O)N1CCc2cccc(Br)c2C1 ZINC000192129027 432334735 /nfs/dbraw/zinc/33/47/35/432334735.db2.gz NBHIUPPIOIZIKU-UHFFFAOYSA-N 0 0 306.203 3.137 10 30 DGEERN CCc1cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)n[nH]1 ZINC000192238093 432348479 /nfs/dbraw/zinc/34/84/79/432348479.db2.gz VUMQYZOXFLUXHR-UHFFFAOYSA-N 0 0 313.361 3.275 10 30 DGEERN CCCn1ccnc1CCCN(C)C(=O)c1ccc(C#N)cc1C ZINC000192256286 432352046 /nfs/dbraw/zinc/35/20/46/432352046.db2.gz MKWMQALRABOYES-UHFFFAOYSA-N 0 0 324.428 3.178 10 30 DGEERN COc1ccc(COc2c(OC)cc(C)cc2OC)cc1C#N ZINC000152773649 432354557 /nfs/dbraw/zinc/35/45/57/432354557.db2.gz OMFJCOSETMUIEA-UHFFFAOYSA-N 0 0 313.353 3.472 10 30 DGEERN C=C(C)[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000248610898 432307494 /nfs/dbraw/zinc/30/74/94/432307494.db2.gz XEWPNNWCJFXATN-HSMVNMDESA-N 0 0 324.371 3.401 10 30 DGEERN CCCC[C@H](CC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183651294 432313290 /nfs/dbraw/zinc/31/32/90/432313290.db2.gz XNSAKWIYPUJCHD-ZDUSSCGKSA-N 0 0 311.389 3.294 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(C#N)c1 ZINC000153097504 432383627 /nfs/dbraw/zinc/38/36/27/432383627.db2.gz AJHZCDUYGZXYAL-GFCCVEGCSA-N 0 0 310.401 3.309 10 30 DGEERN Cc1ccccc1C=Nc1cn(C)nc1C(=O)NCc1ccco1 ZINC000254789668 432405102 /nfs/dbraw/zinc/40/51/02/432405102.db2.gz XBPJHROOUIMGJY-UHFFFAOYSA-N 0 0 322.368 3.002 10 30 DGEERN Cc1ccccc1C=Nc1cnn(C)c1C(=O)NCc1ccco1 ZINC000254824103 432405261 /nfs/dbraw/zinc/40/52/61/432405261.db2.gz UYXMOKQZOQGIFN-UHFFFAOYSA-N 0 0 322.368 3.002 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C(F)(F)F)C1 ZINC000193197992 432457822 /nfs/dbraw/zinc/45/78/22/432457822.db2.gz OLOLXFAWBBCOGK-STQMWFEESA-N 0 0 306.372 3.074 10 30 DGEERN O=C1C=CC(=Nc2ccc(O)c3ncccc23)c2cccnc21 ZINC000255964683 432415156 /nfs/dbraw/zinc/41/51/56/432415156.db2.gz BKMFKTWEULWQIS-UHFFFAOYSA-N 0 0 301.305 3.209 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000153556856 432419481 /nfs/dbraw/zinc/41/94/81/432419481.db2.gz OEMYVEONSRZSEW-CYBMUJFWSA-N 0 0 307.438 3.107 10 30 DGEERN CC(C)[C@@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175874706 432473267 /nfs/dbraw/zinc/47/32/67/432473267.db2.gz NTSFDDSCMZIYFW-GFCCVEGCSA-N 0 0 312.335 3.401 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000193596309 432482384 /nfs/dbraw/zinc/48/23/84/432482384.db2.gz PLYKDRAJYJTODO-WBVHZDCISA-N 0 0 301.386 3.035 10 30 DGEERN CCC1(CC)CN(CC#Cc2cccc(Cl)c2)CC[S@]1=O ZINC000185299132 432487028 /nfs/dbraw/zinc/48/70/28/432487028.db2.gz YAIWEHNQONGPIW-OAQYLSRUSA-N 0 0 323.889 3.315 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000185348359 432492712 /nfs/dbraw/zinc/49/27/12/432492712.db2.gz KGUMDEWNTLZMBT-ARFHVFGLSA-N 0 0 308.466 3.132 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000185368522 432496298 /nfs/dbraw/zinc/49/62/98/432496298.db2.gz FZCVLBUORIREPU-XHSDSOJGSA-N 0 0 308.466 3.132 10 30 DGEERN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193825015 432500683 /nfs/dbraw/zinc/50/06/83/432500683.db2.gz RPWJHHMSTBMYOY-SCLBCKFNSA-N 0 0 305.381 3.397 10 30 DGEERN C=C(C)C[C@H](C)C(=O)OCc1ccc(N2CCOCC2)cc1 ZINC000193263938 432461989 /nfs/dbraw/zinc/46/19/89/432461989.db2.gz QBHGJXSVDODMAW-HNNXBMFYSA-N 0 0 303.402 3.169 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000185080349 432463853 /nfs/dbraw/zinc/46/38/53/432463853.db2.gz GLYMLOMWNYPZFM-GFCCVEGCSA-N 0 0 323.820 3.372 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000175789050 432464816 /nfs/dbraw/zinc/46/48/16/432464816.db2.gz XVQQWFGSFRJVRD-DOTOQJQBSA-N 0 0 323.400 3.369 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@H]2OC)nnc1-c1ccco1 ZINC000273085721 432548669 /nfs/dbraw/zinc/54/86/69/432548669.db2.gz HQRZFQVOEKHTOW-YPMHNXCESA-N 0 0 305.403 3.384 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(C)noc1CC ZINC000194442968 432551073 /nfs/dbraw/zinc/55/10/73/432551073.db2.gz YFICQPNHNXDOHE-UHFFFAOYSA-N 0 0 309.369 3.246 10 30 DGEERN CC(C)(C)C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000176789051 432552268 /nfs/dbraw/zinc/55/22/68/432552268.db2.gz QOBDFOVOCKGAPZ-UHFFFAOYSA-N 0 0 324.421 3.144 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000186018484 432553375 /nfs/dbraw/zinc/55/33/75/432553375.db2.gz UKBQRTYCZLWJIL-OAHLLOKOSA-N 0 0 310.397 3.437 10 30 DGEERN Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)C3CC3)c2c1 ZINC000176797709 432554344 /nfs/dbraw/zinc/55/43/44/432554344.db2.gz ZSQNXMFQWIOWAA-SFHVURJKSA-N 0 0 305.381 3.453 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Oc1ccc(SCC(=O)OC)cc1 ZINC000186024649 432555021 /nfs/dbraw/zinc/55/50/21/432555021.db2.gz DKWJLLTXSJWROG-GFCCVEGCSA-N 0 0 308.399 3.459 10 30 DGEERN C=CCN(Cc1nccn1C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000194532241 432558321 /nfs/dbraw/zinc/55/83/21/432558321.db2.gz PXBHIRKAAVBVGO-UHFFFAOYSA-N 0 0 322.315 3.375 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000194560735 432559218 /nfs/dbraw/zinc/55/92/18/432559218.db2.gz OGJUNROHGPYNCO-SNVBAGLBSA-N 0 0 300.374 3.244 10 30 DGEERN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2cccs2)C(=O)C1 ZINC000186107343 432559612 /nfs/dbraw/zinc/55/96/12/432559612.db2.gz JEKCJBDNRWMWDB-ZDUSSCGKSA-N 0 0 311.410 3.030 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000194562763 432561252 /nfs/dbraw/zinc/56/12/52/432561252.db2.gz AQYJJKDGPLNPMU-MNOVXSKESA-N 0 0 310.385 3.326 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc2ccccc2n1CCOC ZINC000186150227 432562006 /nfs/dbraw/zinc/56/20/06/432562006.db2.gz ZLCYAHZPRVSCOA-CYBMUJFWSA-N 0 0 301.390 3.224 10 30 DGEERN C=CCCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176426118 432521425 /nfs/dbraw/zinc/52/14/25/432521425.db2.gz ISJGRHBQVZISAC-AWEZNQCLSA-N 0 0 302.422 3.024 10 30 DGEERN C=CCCOCCNC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000155192280 432544028 /nfs/dbraw/zinc/54/40/28/432544028.db2.gz VSVDSIPOWBGUEK-MRXNPFEDSA-N 0 0 317.429 3.214 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCOC)c1ccc(OC)c(OC)c1 ZINC000185901978 432544908 /nfs/dbraw/zinc/54/49/08/432544908.db2.gz GWSCOORYFOBZFK-CQSZACIVSA-N 0 0 321.417 3.286 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000185924633 432545630 /nfs/dbraw/zinc/54/56/30/432545630.db2.gz XZGDVEODPFRCCX-HNNXBMFYSA-N 0 0 315.413 3.460 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@@H]2OC)nnc1-c1ccco1 ZINC000273085720 432547832 /nfs/dbraw/zinc/54/78/32/432547832.db2.gz HQRZFQVOEKHTOW-WCQYABFASA-N 0 0 305.403 3.384 10 30 DGEERN CCOc1ccc(N(CCC#N)C(=O)c2ccn(C)c2C)cc1 ZINC000195223111 432613283 /nfs/dbraw/zinc/61/32/83/432613283.db2.gz JFBDTBIAPODXTH-UHFFFAOYSA-N 0 0 311.385 3.293 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000176955858 432569184 /nfs/dbraw/zinc/56/91/84/432569184.db2.gz YUENNWPWXPOQNW-CYBMUJFWSA-N 0 0 323.396 3.274 10 30 DGEERN Cc1cc(C#N)ccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000186260255 432575094 /nfs/dbraw/zinc/57/50/94/432575094.db2.gz BRLGOCUMOTZVPH-IBGZPJMESA-N 0 0 308.381 3.146 10 30 DGEERN CCN(C(=O)c1cc(C#N)cn1C)[C@H](C)Cc1ccsc1 ZINC000186286153 432578351 /nfs/dbraw/zinc/57/83/51/432578351.db2.gz HFYFVFJLKDRLTC-GFCCVEGCSA-N 0 0 301.415 3.052 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000155881898 432578356 /nfs/dbraw/zinc/57/83/56/432578356.db2.gz GLDOPHPAWONPKV-UHFFFAOYSA-N 0 0 319.286 3.471 10 30 DGEERN N#Cc1ccc(CC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000194864726 432582413 /nfs/dbraw/zinc/58/24/13/432582413.db2.gz GHUSUBKIXRHJCH-LJQANCHMSA-N 0 0 322.383 3.474 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000186343337 432584537 /nfs/dbraw/zinc/58/45/37/432584537.db2.gz DRTBCBZKFSHOFT-GOSISDBHSA-N 0 0 320.392 3.145 10 30 DGEERN Cn1c2ccc(CN(CCC#N)CC(C)(C)C)cc2sc1=O ZINC000195007287 432592617 /nfs/dbraw/zinc/59/26/17/432592617.db2.gz VTICXEFKKNMFNK-UHFFFAOYSA-N 0 0 317.458 3.362 10 30 DGEERN CCN(Cc1nnc(C(C)C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000195084717 432601235 /nfs/dbraw/zinc/60/12/35/432601235.db2.gz ALNDMISRCHZWLE-CQSZACIVSA-N 0 0 311.433 3.393 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 ZINC000273448456 432601288 /nfs/dbraw/zinc/60/12/88/432601288.db2.gz IGHYGPXLKPYBBF-ZJUUUORDSA-N 0 0 302.827 3.089 10 30 DGEERN C=CCCO[C@H](C)c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000273655183 432623002 /nfs/dbraw/zinc/62/30/02/432623002.db2.gz DEFZFMQJQRJNNL-LLVKDONJSA-N 0 0 302.330 3.043 10 30 DGEERN CC(C)C(=O)N1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000264179020 432623324 /nfs/dbraw/zinc/62/33/24/432623324.db2.gz YOPWJOMZYUFLGY-UHFFFAOYSA-N 0 0 305.809 3.271 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)n1cnc2ccccc21 ZINC000264181056 432623663 /nfs/dbraw/zinc/62/36/63/432623663.db2.gz LOGFKKWRAVQLHO-LLVKDONJSA-N 0 0 311.307 3.174 10 30 DGEERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(C#N)cn2C)o1 ZINC000177450201 432625309 /nfs/dbraw/zinc/62/53/09/432625309.db2.gz JWJFNENEUXSBRJ-HNNXBMFYSA-N 0 0 311.385 3.420 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCCc3cccc(F)c3)CC2)cc1 ZINC000186803291 432632674 /nfs/dbraw/zinc/63/26/74/432632674.db2.gz BNQBKZILFRCCOD-UHFFFAOYSA-N 0 0 322.383 3.478 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N(C)c1cccc(C#N)c1 ZINC000158071342 432636245 /nfs/dbraw/zinc/63/62/45/432636245.db2.gz JPFCVQJUOBVUMN-UHFFFAOYSA-N 0 0 314.772 3.426 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)CN(C(C)C)CC2 ZINC000274296272 432648379 /nfs/dbraw/zinc/64/83/79/432648379.db2.gz DDWQSURHOXZJBU-GFCCVEGCSA-N 0 0 307.463 3.450 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000187114953 432647076 /nfs/dbraw/zinc/64/70/76/432647076.db2.gz XYQOZGNXCYIGEU-UHFFFAOYSA-N 0 0 309.410 3.097 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000186646087 432618560 /nfs/dbraw/zinc/61/85/60/432618560.db2.gz PRLGRZOAPOVGNH-HNNXBMFYSA-N 0 0 318.417 3.008 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000274314287 432650864 /nfs/dbraw/zinc/65/08/64/432650864.db2.gz YSZALEURGNUOCZ-CZUORRHYSA-N 0 0 315.392 3.367 10 30 DGEERN CC(C)CSCCCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000158606834 432651252 /nfs/dbraw/zinc/65/12/52/432651252.db2.gz OOTZGMMWSJMEOI-AWEZNQCLSA-N 0 0 320.458 3.221 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000274344077 432654347 /nfs/dbraw/zinc/65/43/47/432654347.db2.gz NGZGODDSLIOHEB-KGLIPLIRSA-N 0 0 304.438 3.174 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000274340591 432654771 /nfs/dbraw/zinc/65/47/71/432654771.db2.gz MEELZCLZYOCQMW-ZQIUZPCESA-N 0 0 305.418 3.490 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000274392057 432660178 /nfs/dbraw/zinc/66/01/78/432660178.db2.gz OLDCKGIRYNZCPI-HZUKXOBISA-N 0 0 311.372 3.495 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000187390356 432661391 /nfs/dbraw/zinc/66/13/91/432661391.db2.gz CODNDTAPKHZDLY-AWEZNQCLSA-N 0 0 301.781 3.057 10 30 DGEERN C=CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000274428056 432665403 /nfs/dbraw/zinc/66/54/03/432665403.db2.gz AIEVAVZJBDUVIV-LSDHHAIUSA-N 0 0 301.386 3.034 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000188430891 432726110 /nfs/dbraw/zinc/72/61/10/432726110.db2.gz RFTWAGUNMYDBAV-OAHLLOKOSA-N 0 0 314.429 3.127 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000265546375 432709774 /nfs/dbraw/zinc/70/97/74/432709774.db2.gz PXODPVPDYIOYKB-UHFFFAOYSA-N 0 0 319.380 3.382 10 30 DGEERN COCCc1ccccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188207711 432710663 /nfs/dbraw/zinc/71/06/63/432710663.db2.gz WEBVGZUYNCYKPC-UHFFFAOYSA-N 0 0 320.392 3.417 10 30 DGEERN CC(C)NC(=O)c1ccccc1NCc1cc(C#N)ccc1F ZINC000178271686 432713850 /nfs/dbraw/zinc/71/38/50/432713850.db2.gz UHFHUSVBQIGIKU-UHFFFAOYSA-N 0 0 311.360 3.448 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cn(CCCC)nc1C ZINC000274827979 432714140 /nfs/dbraw/zinc/71/41/40/432714140.db2.gz QHXJLHRRWQVFPJ-UHFFFAOYSA-N 0 0 303.328 3.182 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(F)c1C#N ZINC000187669031 432676074 /nfs/dbraw/zinc/67/60/74/432676074.db2.gz YTRVLZHWWCAHSS-ZDUSSCGKSA-N 0 0 304.365 3.119 10 30 DGEERN CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000187706696 432677525 /nfs/dbraw/zinc/67/75/25/432677525.db2.gz SLWLPJJKOMWRQO-XJKSGUPXSA-N 0 0 307.388 3.281 10 30 DGEERN C=C(C)[C@@H](NCC(=O)Nc1ccncc1)c1ccc(F)c(F)c1 ZINC000187779254 432684619 /nfs/dbraw/zinc/68/46/19/432684619.db2.gz WXGLQUGZWBCNNW-QGZVFWFLSA-N 0 0 317.339 3.205 10 30 DGEERN Cc1ccn(-c2ccccc2CNC(=O)c2cc(C#N)cs2)n1 ZINC000178025849 432686215 /nfs/dbraw/zinc/68/62/15/432686215.db2.gz YGSDVCDQBFSPGV-UHFFFAOYSA-N 0 0 322.393 3.044 10 30 DGEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC1CCCC1 ZINC000178525515 432748944 /nfs/dbraw/zinc/74/89/44/432748944.db2.gz IYSAKWQRJIIZQC-UHFFFAOYSA-N 0 0 300.402 3.412 10 30 DGEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000189013925 432758815 /nfs/dbraw/zinc/75/88/15/432758815.db2.gz TYGROOGXYCFIFG-XJKSGUPXSA-N 0 0 302.374 3.123 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000266503474 432758880 /nfs/dbraw/zinc/75/88/80/432758880.db2.gz AJFGYFWMOMRFJR-GOEBONIOSA-N 0 0 309.331 3.467 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(O)ccc1OC ZINC000189024127 432758891 /nfs/dbraw/zinc/75/88/91/432758891.db2.gz PARMHIMSCXCEQY-UHFFFAOYSA-N 0 0 322.364 3.101 10 30 DGEERN CCCCCCCCC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189067157 432761640 /nfs/dbraw/zinc/76/16/40/432761640.db2.gz JHDDCJQCAOYBJQ-LSDHHAIUSA-N 0 0 323.437 3.417 10 30 DGEERN CC1(C)CN(C(=O)Cc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000189187437 432768271 /nfs/dbraw/zinc/76/82/71/432768271.db2.gz COYFWUXXSLZIBH-UHFFFAOYSA-N 0 0 312.413 3.051 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000276046910 432768939 /nfs/dbraw/zinc/76/89/39/432768939.db2.gz XIHTZJAUVFQAGJ-DYVFJYSZSA-N 0 0 303.406 3.255 10 30 DGEERN C=CCCN(C)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000276101664 432772703 /nfs/dbraw/zinc/77/27/03/432772703.db2.gz FVUJTIVBYLENQL-UHFFFAOYSA-N 0 0 304.777 3.302 10 30 DGEERN N#CC1(c2ccc(C(=O)O[C@@H]3CCc4cccnc43)cc2)CC1 ZINC000189294008 432775717 /nfs/dbraw/zinc/77/57/17/432775717.db2.gz GNTROZBQMZJERS-MRXNPFEDSA-N 0 0 304.349 3.481 10 30 DGEERN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)o1 ZINC000160789519 432742851 /nfs/dbraw/zinc/74/28/51/432742851.db2.gz VCRCFPMFENHWTN-JTQLQIEISA-N 0 0 324.789 3.153 10 30 DGEERN C=CCC[C@@H](C(=O)Nc1cnc(N(C)C)nc1)c1ccccc1 ZINC000188782268 432746215 /nfs/dbraw/zinc/74/62/15/432746215.db2.gz YQKSYFKOSLLJJE-MRXNPFEDSA-N 0 0 310.401 3.231 10 30 DGEERN CC[C@H](CSc1ccccc1)NC(=O)c1cc(C#N)cn1C ZINC000162243876 432817549 /nfs/dbraw/zinc/81/75/49/432817549.db2.gz HLXBHICKUWVBES-CQSZACIVSA-N 0 0 313.426 3.197 10 30 DGEERN C[C@H]1CN(CCCSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245493193 432837266 /nfs/dbraw/zinc/83/72/66/432837266.db2.gz LAOIDNKEWAADJY-BBRMVZONSA-N 0 0 308.422 3.234 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000189483751 432789367 /nfs/dbraw/zinc/78/93/67/432789367.db2.gz FCBORZDHNIKUOZ-LBPRGKRZSA-N 0 0 317.414 3.177 10 30 DGEERN CC1(C)CCC[C@@H](C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000178960498 432792006 /nfs/dbraw/zinc/79/20/06/432792006.db2.gz CFFWTOYCXOOPFG-OAHLLOKOSA-N 0 0 300.402 3.270 10 30 DGEERN N#C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000161713993 432793364 /nfs/dbraw/zinc/79/33/64/432793364.db2.gz SPDUSXHYHWCEDC-CYBMUJFWSA-N 0 0 308.303 3.155 10 30 DGEERN C=CCCS(=O)(=O)Nc1cccnc1-c1csc(C)c1 ZINC000189722530 432814659 /nfs/dbraw/zinc/81/46/59/432814659.db2.gz URYBBBZIRRPTSD-UHFFFAOYSA-N 0 0 308.428 3.436 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccccc1OC1CCCC1 ZINC000277587856 432862178 /nfs/dbraw/zinc/86/21/78/432862178.db2.gz ZJMUBAFWKHGZOT-UHFFFAOYSA-N 0 0 309.409 3.287 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000277579319 432862527 /nfs/dbraw/zinc/86/25/27/432862527.db2.gz YRJIJHYBQXLZJZ-GFCCVEGCSA-N 0 0 305.324 3.128 10 30 DGEERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1(C)C ZINC000330163607 432895503 /nfs/dbraw/zinc/89/55/03/432895503.db2.gz SSNQXQNQIPWGMO-DPZJBDQQSA-N 0 0 318.417 3.175 10 30 DGEERN C#CCC(CC#C)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000277667869 432869020 /nfs/dbraw/zinc/86/90/20/432869020.db2.gz MEUCLTRHKHBBRZ-PMACEKPBSA-N 0 0 323.436 3.242 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000277716861 432872012 /nfs/dbraw/zinc/87/20/12/432872012.db2.gz PHCVAOSZAGNCGT-CYBMUJFWSA-N 0 0 311.381 3.010 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000330151404 432895702 /nfs/dbraw/zinc/89/57/02/432895702.db2.gz WEKVTGXECJRJLC-LRDDRELGSA-N 0 0 304.390 3.050 10 30 DGEERN N#Cc1ccc([C@@H](O)CN2CCCC[C@H]2c2nccs2)cc1 ZINC000245978530 432873614 /nfs/dbraw/zinc/87/36/14/432873614.db2.gz GPOTXNHQENVQQP-HOTGVXAUSA-N 0 0 313.426 3.275 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277789523 432875982 /nfs/dbraw/zinc/87/59/82/432875982.db2.gz SKLKRVNBLCAPTP-KRWDZBQOSA-N 0 0 315.457 3.433 10 30 DGEERN C#CCSCCNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000277809307 432876851 /nfs/dbraw/zinc/87/68/51/432876851.db2.gz ZSNHVLADLNEWBY-UHFFFAOYSA-N 0 0 306.189 3.229 10 30 DGEERN CC[C@H](NC(=O)NC[C@@H]1CCc2nccn2C1)c1cccs1 ZINC000329953621 432884058 /nfs/dbraw/zinc/88/40/58/432884058.db2.gz NGWFFJLWPAHYKL-STQMWFEESA-N 0 0 318.446 3.162 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000288380318 432890756 /nfs/dbraw/zinc/89/07/56/432890756.db2.gz FLQSOEFKGBVQMZ-INIZCTEOSA-N 0 0 321.342 3.329 10 30 DGEERN CC1(C)CC[C@H](CNC(=O)[C@H]2CCO[C@@H]2c2cccnc2)O1 ZINC000330108992 432893536 /nfs/dbraw/zinc/89/35/36/432893536.db2.gz ONGMJJQNQOMIEK-QLFBSQMISA-N 0 0 304.390 3.073 10 30 DGEERN Cc1ncc2n1CC[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)C2 ZINC000330122678 432893873 /nfs/dbraw/zinc/89/38/73/432893873.db2.gz HJFGOFUTOWLGFW-RVSPLBMKSA-N 0 0 300.406 3.183 10 30 DGEERN CCCc1csc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)n1 ZINC000330126322 432894426 /nfs/dbraw/zinc/89/44/26/432894426.db2.gz IPLBMQQFZQMQIC-DGCLKSJQSA-N 0 0 320.418 3.195 10 30 DGEERN C#CCCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000245618531 432850199 /nfs/dbraw/zinc/85/01/99/432850199.db2.gz WBAHMLMNCPYWAB-FUHWJXTLSA-N 0 0 318.848 3.395 10 30 DGEERN CN(C(=O)NCCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCNC1=O ZINC000328882302 288772997 /nfs/dbraw/zinc/77/29/97/288772997.db2.gz LSWFHXKJOWLJHG-GNFNDJEDSA-N 0 0 319.449 3.168 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000245688616 432855479 /nfs/dbraw/zinc/85/54/79/432855479.db2.gz ANJRFSSSHAHPGA-DABQJJPHSA-N 0 0 303.406 3.257 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296711326 432925292 /nfs/dbraw/zinc/92/52/92/432925292.db2.gz AZLFUHFYUCXFTJ-VIFPVBQESA-N 0 0 307.341 3.354 10 30 DGEERN C=CCCCCNC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296713148 432925312 /nfs/dbraw/zinc/92/53/12/432925312.db2.gz BBGAVOZMWUOIJS-VIFPVBQESA-N 0 0 307.341 3.402 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(N2CCCC2)cc1 ZINC000279080739 432933274 /nfs/dbraw/zinc/93/32/74/432933274.db2.gz VEVFPYPFHZIHCR-IAGOWNOFSA-N 0 0 301.386 3.173 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000296961575 432943653 /nfs/dbraw/zinc/94/36/53/432943653.db2.gz QGXPMLIDAYXIBN-XSLAGTTESA-N 0 0 314.429 3.071 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000330205524 432897046 /nfs/dbraw/zinc/89/70/46/432897046.db2.gz DNJAQQALCRNNMI-MWQQHZPXSA-N 0 0 302.418 3.394 10 30 DGEERN CCc1nc(C)c(CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC000330200263 432897595 /nfs/dbraw/zinc/89/75/95/432897595.db2.gz ACLKGUNQDXNXLC-HNNXBMFYSA-N 0 0 303.406 3.224 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000330209219 432897717 /nfs/dbraw/zinc/89/77/17/432897717.db2.gz HKLVZAQRXUFKKJ-WXYCVUISSA-N 0 0 306.381 3.143 10 30 DGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000330233642 432898776 /nfs/dbraw/zinc/89/87/76/432898776.db2.gz XYKLJWKUXBQPJL-WQVCFCJDSA-N 0 0 302.418 3.381 10 30 DGEERN CC[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000330296184 432903793 /nfs/dbraw/zinc/90/37/93/432903793.db2.gz GCUXMCQTIFLQLG-HOTGVXAUSA-N 0 0 317.433 3.212 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC000330520948 432914729 /nfs/dbraw/zinc/91/47/29/432914729.db2.gz HMLPNZXWOSSILL-WPRPVWTQSA-N 0 0 320.336 3.448 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000330535319 432916105 /nfs/dbraw/zinc/91/61/05/432916105.db2.gz JFXFEBHXPONZFY-WCQYABFASA-N 0 0 305.378 3.187 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCOC2(C)C)c1 ZINC000296541361 432920650 /nfs/dbraw/zinc/92/06/50/432920650.db2.gz QJKDGPVTHILGBP-OAHLLOKOSA-N 0 0 304.390 3.331 10 30 DGEERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000330055269 288864437 /nfs/dbraw/zinc/86/44/37/288864437.db2.gz UCCYCOPPZXUVMX-IHRRRGAJSA-N 0 0 319.449 3.267 10 30 DGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C ZINC000290111515 432994779 /nfs/dbraw/zinc/99/47/79/432994779.db2.gz FOWYGWVQWZYXGV-LBPRGKRZSA-N 0 0 318.808 3.010 10 30 DGEERN C#CCn1ccc(CN(CC)Cc2cc(Cl)cc(C)c2O)n1 ZINC000279382297 432962122 /nfs/dbraw/zinc/96/21/22/432962122.db2.gz KIFIKJXLYVADGW-UHFFFAOYSA-N 0 0 317.820 3.206 10 30 DGEERN C[C@@H]1SCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000180919187 288943552 /nfs/dbraw/zinc/94/35/52/288943552.db2.gz GNVSDHJPTCYCFT-STQMWFEESA-N 0 0 300.427 3.208 10 30 DGEERN CCc1cccc(CC(=O)N(CCOC)c2ccc(C#N)cc2)c1 ZINC000156609357 292732266 /nfs/dbraw/zinc/73/22/66/292732266.db2.gz UBKWNQVNGSUMFP-UHFFFAOYSA-N 0 0 322.408 3.343 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@@H]2CCc3cc(Cl)ccc32)C1=O ZINC000419957853 433085584 /nfs/dbraw/zinc/08/55/84/433085584.db2.gz VPXSBICJUDFWEN-ZIAGYGMSSA-N 0 0 304.777 3.214 10 30 DGEERN C=C(C)CN(CC)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000298422210 433131988 /nfs/dbraw/zinc/13/19/88/433131988.db2.gz LTQPGTUMOKCLDZ-XJKSGUPXSA-N 0 0 300.402 3.319 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000425264522 433140443 /nfs/dbraw/zinc/14/04/43/433140443.db2.gz PJFJBWMFMUCXQY-LRDDRELGSA-N 0 0 304.346 3.191 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nnc(-c2cccc(F)c2)cc1C ZINC000425288148 433147712 /nfs/dbraw/zinc/14/77/12/433147712.db2.gz XNTGIZGQROZCTC-YOEHRIQHSA-N 0 0 313.376 3.594 10 30 DGEERN COc1cccc2c1CCN(C(=O)c1ccc(CC#N)cc1)CC2 ZINC000373276527 433147751 /nfs/dbraw/zinc/14/77/51/433147751.db2.gz VIIWVPVISWBRKR-UHFFFAOYSA-N 0 0 320.392 3.002 10 30 DGEERN C#CCCCCC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000373142390 433102857 /nfs/dbraw/zinc/10/28/57/433102857.db2.gz STPVVQLSCOQFQD-LJQANCHMSA-N 0 0 312.457 3.003 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@H](CC)N(C2CC2)C1=O ZINC000420123635 433110058 /nfs/dbraw/zinc/11/00/58/433110058.db2.gz OXJQZVOUBGGBAE-SJORKVTESA-N 0 0 312.413 3.379 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)[C@H](CC)N(C2CC2)C1=O ZINC000420123633 433111596 /nfs/dbraw/zinc/11/15/96/433111596.db2.gz OXJQZVOUBGGBAE-IRXDYDNUSA-N 0 0 312.413 3.379 10 30 DGEERN C=CCC1(C(=O)Nc2cc(-c3ccccc3)on2)CCOCC1 ZINC000425185886 433118507 /nfs/dbraw/zinc/11/85/07/433118507.db2.gz MDYHUIVXTDPARH-UHFFFAOYSA-N 0 0 312.369 3.653 10 30 DGEERN C=CCCCN(C)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425204296 433120740 /nfs/dbraw/zinc/12/07/40/433120740.db2.gz OJBGUIXJPINROV-UHFFFAOYSA-N 0 0 301.839 3.110 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1cc(C)cc(OC)c1C ZINC000447172213 433169107 /nfs/dbraw/zinc/16/91/07/433169107.db2.gz QAWGIIAZXRYJEC-OAHLLOKOSA-N 0 0 302.418 3.313 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](COC)CC1 ZINC000453423848 433175204 /nfs/dbraw/zinc/17/52/04/433175204.db2.gz GENCNMBYGAKKFI-HNNXBMFYSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(N(C)Cc2ccc(C)o2)nnc1[C@@]1(C)CCCO1 ZINC000453441366 433187121 /nfs/dbraw/zinc/18/71/21/433187121.db2.gz OHZYFVOZESNDLA-QGZVFWFLSA-N 0 0 316.405 3.028 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N(CC1CC1)CC1CC1 ZINC000453444497 433189869 /nfs/dbraw/zinc/18/98/69/433189869.db2.gz SEOXMCJAHHJPMI-INIZCTEOSA-N 0 0 316.449 3.332 10 30 DGEERN C=CCn1c(N(C)Cc2cccs2)nnc1[C@]1(C)CCCO1 ZINC000453447020 433190425 /nfs/dbraw/zinc/19/04/25/433190425.db2.gz WZRRPPXTLRFBHG-INIZCTEOSA-N 0 0 318.446 3.188 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@H](OC)c1ccc(O)cc1 ZINC000361475818 433192113 /nfs/dbraw/zinc/19/21/13/433192113.db2.gz NKLNGIAFOORYLQ-GOSISDBHSA-N 0 0 311.381 3.295 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453466525 433201304 /nfs/dbraw/zinc/20/13/04/433201304.db2.gz OHOLDRZKQUVCNT-CPUCHLNUSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000280866372 433202859 /nfs/dbraw/zinc/20/28/59/433202859.db2.gz ZOPGHFMRDRMQJV-MEBBXXQBSA-N 0 0 310.325 3.136 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)NCCCCC(=O)OC ZINC000280896822 433213064 /nfs/dbraw/zinc/21/30/64/433213064.db2.gz SRXZIXVAJYBJKN-UHFFFAOYSA-N 0 0 318.417 3.118 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291110767 433222698 /nfs/dbraw/zinc/22/26/98/433222698.db2.gz FJYHSEOGLFVVHQ-FXAWDEMLSA-N 0 0 315.457 3.433 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC[C@@](F)(c2ccccc2)C1)OCC ZINC000374606945 433235889 /nfs/dbraw/zinc/23/58/89/433235889.db2.gz WYSBYWYEBHZUNR-AEFFLSMTSA-N 0 0 305.393 3.455 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1cccc(OCC)c1 ZINC000425430287 433237186 /nfs/dbraw/zinc/23/71/86/433237186.db2.gz FCFHYXKTNFHMIX-KMFMINBZSA-N 0 0 318.417 3.037 10 30 DGEERN C#CCOc1ccc(CNc2cn(C)nc2-c2ccccn2)cc1 ZINC000374640410 433246236 /nfs/dbraw/zinc/24/62/36/433246236.db2.gz CVVNNYPUHBFIPR-UHFFFAOYSA-N 0 0 318.380 3.106 10 30 DGEERN C=CC[C@@H](CO)CNc1nccc2cc(Br)ccc21 ZINC000413230689 433267050 /nfs/dbraw/zinc/26/70/50/433267050.db2.gz SFMCOJIKCAHMOI-LLVKDONJSA-N 0 0 321.218 3.594 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000425595325 433313771 /nfs/dbraw/zinc/31/37/71/433313771.db2.gz ZTHSHVMOBSHBBK-BZSNNMDCSA-N 0 0 314.429 3.433 10 30 DGEERN C=CCC1(C(=O)N2CCc3c2c(F)ccc3F)CCOCC1 ZINC000425599936 433317577 /nfs/dbraw/zinc/31/75/77/433317577.db2.gz ATNFTJLVNWAFAN-UHFFFAOYSA-N 0 0 307.340 3.227 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CC)CC=C)C1 ZINC000298962678 433286542 /nfs/dbraw/zinc/28/65/42/433286542.db2.gz OLFIRAFEHHIRCU-YVSFHVDLSA-N 0 0 320.477 3.345 10 30 DGEERN C=CCCCNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000447810894 433289533 /nfs/dbraw/zinc/28/95/33/433289533.db2.gz BKKDDHPAFWNVFL-UHFFFAOYSA-N 0 0 308.307 3.936 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281384095 433293321 /nfs/dbraw/zinc/29/33/21/433293321.db2.gz TZLFIHOPPZCCOA-SSDOTTSWSA-N 0 0 307.152 3.191 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413864397 433300547 /nfs/dbraw/zinc/30/05/47/433300547.db2.gz BYVABJLESZIQHY-HZPDHXFCSA-N 0 0 317.408 3.155 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000425569061 433305265 /nfs/dbraw/zinc/30/52/65/433305265.db2.gz XQTHDGFINSKJKJ-KSZLIROESA-N 0 0 316.445 3.240 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000281513271 433311408 /nfs/dbraw/zinc/31/14/08/433311408.db2.gz RSGUXMRYZDDCKT-ZDUSSCGKSA-N 0 0 322.380 3.022 10 30 DGEERN C=CCCCNC(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000448015264 433345697 /nfs/dbraw/zinc/34/56/97/433345697.db2.gz VTLRYJQULFTHRW-UHFFFAOYSA-N 0 0 303.381 3.125 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000448015483 433347595 /nfs/dbraw/zinc/34/75/95/433347595.db2.gz QOBIEGAVBDMULY-UHFFFAOYSA-N 0 0 303.406 3.221 10 30 DGEERN C=CCCCNC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000448030834 433349588 /nfs/dbraw/zinc/34/95/88/433349588.db2.gz NIOAGTUEOXGEGR-MRXNPFEDSA-N 0 0 318.417 3.335 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000299602242 433377957 /nfs/dbraw/zinc/37/79/57/433377957.db2.gz LOIOWUYVGIQMDT-CQSZACIVSA-N 0 0 319.474 3.009 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000425853380 433361915 /nfs/dbraw/zinc/36/19/15/433361915.db2.gz IWBJLEYMXYPJGM-QXSJWSMHSA-N 0 0 318.417 3.353 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000299312821 433364776 /nfs/dbraw/zinc/36/47/76/433364776.db2.gz SXTAOGIYDRVWJK-UHFFFAOYSA-N 0 0 323.318 3.122 10 30 DGEERN C=CCCCNC(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000447984867 433337128 /nfs/dbraw/zinc/33/71/28/433337128.db2.gz BLFLWYNRVILRJD-UHFFFAOYSA-N 0 0 313.405 3.031 10 30 DGEERN C=CCCCNC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000447973392 433338254 /nfs/dbraw/zinc/33/82/54/433338254.db2.gz AYUGOKIKTPWPTF-UHFFFAOYSA-N 0 0 316.323 3.393 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000361841390 433416795 /nfs/dbraw/zinc/41/67/95/433416795.db2.gz CMQUPPLKTBCXSZ-CQSZACIVSA-N 0 0 324.371 3.287 10 30 DGEERN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(C#N)cc3)C2)n1 ZINC000301114208 433420576 /nfs/dbraw/zinc/42/05/76/433420576.db2.gz XYKNVHPSFKMKSI-INIZCTEOSA-N 0 0 320.396 3.117 10 30 DGEERN N#Cc1cc(Cl)ccc1NC[C@@H]1COc2ccccc2O1 ZINC000301172582 433440164 /nfs/dbraw/zinc/44/01/64/433440164.db2.gz UXYYEAQDWYJDND-CYBMUJFWSA-N 0 0 300.745 3.464 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000426259445 433451948 /nfs/dbraw/zinc/45/19/48/433451948.db2.gz ZLVXAGRUBQMXGN-STQMWFEESA-N 0 0 303.362 3.406 10 30 DGEERN CCOc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000361949560 433467219 /nfs/dbraw/zinc/46/72/19/433467219.db2.gz LNFOWDQAZBTLLG-MRXNPFEDSA-N 0 0 319.361 3.052 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)Nc1sc(CC)nc1C ZINC000426569798 433532289 /nfs/dbraw/zinc/53/22/89/433532289.db2.gz DXZVYKMDBYCHCX-UHFFFAOYSA-N 0 0 323.462 3.157 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCCc1c(C)oc2ccccc21 ZINC000362001797 433487601 /nfs/dbraw/zinc/48/76/01/433487601.db2.gz FUTYIMNWTPWHCV-AWEZNQCLSA-N 0 0 301.386 3.381 10 30 DGEERN CN(Cc1nccn1C(F)F)c1cc(C#N)nc2ccccc21 ZINC000301326625 433506864 /nfs/dbraw/zinc/50/68/64/433506864.db2.gz BDXBRQZQXRDMFV-UHFFFAOYSA-N 0 0 313.311 3.334 10 30 DGEERN Cn1cc(N2CCC[C@H](Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000301450738 433561345 /nfs/dbraw/zinc/56/13/45/433561345.db2.gz XGWCHYZUFIQGDX-AWEZNQCLSA-N 0 0 315.808 3.026 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000448848316 433577473 /nfs/dbraw/zinc/57/74/73/433577473.db2.gz ZAGMBSBLOAELFK-VHSSKADRSA-N 0 0 315.413 3.418 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426761857 433585928 /nfs/dbraw/zinc/58/59/28/433585928.db2.gz DUHFOJYZXHOINF-QGZVFWFLSA-N 0 0 315.344 3.306 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000362301734 433632575 /nfs/dbraw/zinc/63/25/75/433632575.db2.gz UEMWFBQQAKORJX-RDJZCZTQSA-N 0 0 302.418 3.192 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000448982588 433641914 /nfs/dbraw/zinc/64/19/14/433641914.db2.gz CQIBHIZIFJYYLC-IBGZPJMESA-N 0 0 307.397 3.091 10 30 DGEERN COc1ccc(CNc2cc(CO)ccc2Cl)cc1C#N ZINC000163119158 292864612 /nfs/dbraw/zinc/86/46/12/292864612.db2.gz URDRIDZDTFSXOM-UHFFFAOYSA-N 0 0 302.761 3.325 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000448903415 433607575 /nfs/dbraw/zinc/60/75/75/433607575.db2.gz HKFJGXQIGNGEQP-RDBSUJKOSA-N 0 0 313.319 3.340 10 30 DGEERN C=CCn1c(N2C[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(C)CCCO1 ZINC000414524768 433687692 /nfs/dbraw/zinc/68/76/92/433687692.db2.gz HJESZENYYQLPTJ-RVKKMQEKSA-N 0 0 316.449 3.116 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414538666 433702248 /nfs/dbraw/zinc/70/22/48/433702248.db2.gz MJFHVHVEUFDBGA-INIZCTEOSA-N 0 0 318.465 3.058 10 30 DGEERN N#Cc1cnccc1N1CCC(OCc2ccc(F)cc2)CC1 ZINC000372336438 293236566 /nfs/dbraw/zinc/23/65/66/293236566.db2.gz GPLTTWDHBXMFPP-UHFFFAOYSA-N 0 0 311.360 3.278 10 30 DGEERN C=C(C)COc1cc(CN2CCO[C@H](C3CC3)C2)ccc1OC ZINC000362510218 433731039 /nfs/dbraw/zinc/73/10/39/433731039.db2.gz KUMHYHHKIDLVOI-IBGZPJMESA-N 0 0 317.429 3.261 10 30 DGEERN C#CCCNC(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC ZINC000376464426 433743353 /nfs/dbraw/zinc/74/33/53/433743353.db2.gz QVBXKPRHGUYKJE-UHFFFAOYSA-N 0 0 316.792 3.233 10 30 DGEERN C=CCC[C@@H](NC(=O)CSc1ccccc1C)C(=O)OCC ZINC000456628223 433754256 /nfs/dbraw/zinc/75/42/56/433754256.db2.gz NTEWLZLSSQYNKI-CQSZACIVSA-N 0 0 321.442 3.101 10 30 DGEERN C=C[C@@H](C)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000362589949 433772774 /nfs/dbraw/zinc/77/27/74/433772774.db2.gz WRICGXQRLQUSHF-GFCCVEGCSA-N 0 0 315.442 3.203 10 30 DGEERN C=CCCCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000301901419 433786798 /nfs/dbraw/zinc/78/67/98/433786798.db2.gz VNTDWQAXDSQDLM-UHFFFAOYSA-N 0 0 300.156 3.155 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000376602578 433788187 /nfs/dbraw/zinc/78/81/87/433788187.db2.gz QCYJIKSECOKKBR-INIZCTEOSA-N 0 0 320.392 3.197 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000376707103 433799812 /nfs/dbraw/zinc/79/98/12/433799812.db2.gz PTMFHBAXLALDQH-LJQANCHMSA-N 0 0 308.425 3.079 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000456751963 433806697 /nfs/dbraw/zinc/80/66/97/433806697.db2.gz ANGGBRBHEBCQLE-AWEZNQCLSA-N 0 0 316.426 3.175 10 30 DGEERN CCCc1occc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000376753076 433807064 /nfs/dbraw/zinc/80/70/64/433807064.db2.gz WAKSAGGBIFJCJN-SFHVURJKSA-N 0 0 324.380 3.317 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000456766953 433814863 /nfs/dbraw/zinc/81/48/63/433814863.db2.gz JAUZSEQJNLACDR-GOEBONIOSA-N 0 0 307.459 3.247 10 30 DGEERN C=CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000302164307 433815510 /nfs/dbraw/zinc/81/55/10/433815510.db2.gz OMVRFBCEBNEZRR-NSHDSACASA-N 0 0 316.279 3.395 10 30 DGEERN C=CCO[C@@H]1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000302147396 433816273 /nfs/dbraw/zinc/81/62/73/433816273.db2.gz LEBDSBOIDRKPGW-CQSZACIVSA-N 0 0 314.389 3.036 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nn1C ZINC000449816460 433819506 /nfs/dbraw/zinc/81/95/06/433819506.db2.gz XIIPLPXSZKPVAU-UHFFFAOYSA-N 0 0 323.318 3.278 10 30 DGEERN Cn1c2cc(Nc3ncc(C#N)cc3Cl)ccc2ccc1=O ZINC000362681349 433820959 /nfs/dbraw/zinc/82/09/59/433820959.db2.gz OJHMMCNFJAMQMB-UHFFFAOYSA-N 0 0 310.744 3.202 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1ncnc2c3ccccc3oc21 ZINC000435584508 433876580 /nfs/dbraw/zinc/87/65/80/433876580.db2.gz MCPNQLOTJLVRCD-LRDDRELGSA-N 0 0 309.369 3.769 10 30 DGEERN C=CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000302667908 433828198 /nfs/dbraw/zinc/82/81/98/433828198.db2.gz JTBBYLGWZVJYQD-VIFPVBQESA-N 0 0 315.167 3.015 10 30 DGEERN N#Cc1nc(N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000302718628 433837036 /nfs/dbraw/zinc/83/70/36/433837036.db2.gz KKIJDAZSYFUFTD-UHFFFAOYSA-N 0 0 322.368 3.321 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cnc(OC)c(Cl)c1 ZINC000284121286 433840579 /nfs/dbraw/zinc/84/05/79/433840579.db2.gz HIPAKPSELHXAQD-UHFFFAOYSA-N 0 0 320.776 3.208 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc(C#N)c(F)c1 ZINC000456833143 433848240 /nfs/dbraw/zinc/84/82/40/433848240.db2.gz IBNJLJMAPOJDJN-LBPRGKRZSA-N 0 0 304.365 3.099 10 30 DGEERN C=C(CC)CNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000456833400 433849671 /nfs/dbraw/zinc/84/96/71/433849671.db2.gz ZZURYYBBWYWPRW-UHFFFAOYSA-N 0 0 314.385 3.365 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1cc(C(=O)N[C@@H](C)CC=C)ccc1C ZINC000449920911 433870811 /nfs/dbraw/zinc/87/08/11/433870811.db2.gz CVFRDJSMWSONKM-LSDHHAIUSA-N 0 0 314.429 3.384 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449973358 433904133 /nfs/dbraw/zinc/90/41/33/433904133.db2.gz QRSPJOWSRQIFBT-SJKOYZFVSA-N 0 0 311.360 3.259 10 30 DGEERN C[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC[C@@H]1c1ccccc1 ZINC000449953768 433890247 /nfs/dbraw/zinc/89/02/47/433890247.db2.gz ZUJULSOMGCTTNZ-YOEHRIQHSA-N 0 0 307.397 3.163 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)CCCC1 ZINC000450058999 433947660 /nfs/dbraw/zinc/94/76/60/433947660.db2.gz RZGXJZZFDVKQSV-AWEZNQCLSA-N 0 0 307.434 3.313 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000294082137 433987751 /nfs/dbraw/zinc/98/77/51/433987751.db2.gz CKXHAIRWFGBGCT-HUUCEWRRSA-N 0 0 309.356 3.396 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000363409807 434046566 /nfs/dbraw/zinc/04/65/66/434046566.db2.gz ZZZKBIIPKYNWBB-AWEZNQCLSA-N 0 0 311.410 3.019 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2c(C)onc2CC)cc1 ZINC000450229447 434042432 /nfs/dbraw/zinc/04/24/32/434042432.db2.gz CPAKROKXAVBHDO-UHFFFAOYSA-N 0 0 300.358 3.291 10 30 DGEERN C=CCC1(C(=O)NCC[C@H]2COc3ccccc3O2)CCCC1 ZINC000450143296 433994023 /nfs/dbraw/zinc/99/40/23/433994023.db2.gz DJTBQZAWAQWJDZ-HNNXBMFYSA-N 0 0 315.413 3.469 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000378100558 434083443 /nfs/dbraw/zinc/08/34/43/434083443.db2.gz ZFLSRONBZHLJIF-HZPDHXFCSA-N 0 0 300.402 3.335 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000352716525 434048149 /nfs/dbraw/zinc/04/81/49/434048149.db2.gz RYVLVVHTLFILME-FZMZJTMJSA-N 0 0 315.398 3.125 10 30 DGEERN CC(=O)CCC(C)(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416344695 434106861 /nfs/dbraw/zinc/10/68/61/434106861.db2.gz WAGQZLUMXGLSSB-QGZVFWFLSA-N 0 0 312.413 3.447 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ncc(-c2cccnc2)s1 ZINC000285937176 434112393 /nfs/dbraw/zinc/11/23/93/434112393.db2.gz KBCUJLFBSLDTSI-MRXNPFEDSA-N 0 0 317.414 3.372 10 30 DGEERN C=CCCc1ccccc1NC(=O)CO[C@@H](C)c1nccn1C ZINC000357719804 434148808 /nfs/dbraw/zinc/14/88/08/434148808.db2.gz GOYFQRIJKGEPRI-AWEZNQCLSA-N 0 0 313.401 3.255 10 30 DGEERN C=CCN(C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1)C1CC1 ZINC000378387743 434165916 /nfs/dbraw/zinc/16/59/16/434165916.db2.gz FJNAJWBISMGHCE-WBVHZDCISA-N 0 0 300.402 3.124 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@H](CC)CC(F)F)cc1 ZINC000457468924 434188566 /nfs/dbraw/zinc/18/85/66/434188566.db2.gz FAIPGAXZAHLOCP-LLVKDONJSA-N 0 0 310.344 3.222 10 30 DGEERN C=CCN(C(=O)C1=C(C)CCC1)c1nc(C(=O)OCC)cs1 ZINC000437272538 434240833 /nfs/dbraw/zinc/24/08/33/434240833.db2.gz IXTACCNGGYKXAF-UHFFFAOYSA-N 0 0 320.414 3.339 10 30 DGEERN C=CCOCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437294792 434244295 /nfs/dbraw/zinc/24/42/95/434244295.db2.gz SNNCTLGIMPQOMQ-WCQYABFASA-N 0 0 300.185 3.168 10 30 DGEERN C=CCC1(C(=O)NCc2nnc(C3CCC3)n2C)CCCCC1 ZINC000450544803 434254338 /nfs/dbraw/zinc/25/43/38/434254338.db2.gz RQYIPOTZBGQFDF-UHFFFAOYSA-N 0 0 316.449 3.225 10 30 DGEERN Cc1cc(CN(C)Cc2ccc(C#N)cc2OC(F)F)no1 ZINC000437401008 434257436 /nfs/dbraw/zinc/25/74/36/434257436.db2.gz SRZZHGJUMSLRFN-UHFFFAOYSA-N 0 0 307.300 3.088 10 30 DGEERN CC(C)Oc1c(F)cc(NC(=O)c2ccc(C#N)n2C)cc1F ZINC000450546692 434259546 /nfs/dbraw/zinc/25/95/46/434259546.db2.gz KDGSELQTGCHZKS-UHFFFAOYSA-N 0 0 319.311 3.214 10 30 DGEERN C=CCOc1ccccc1CNc1nnc(CC(C)(C)C)o1 ZINC000347883694 434276452 /nfs/dbraw/zinc/27/64/52/434276452.db2.gz PHCBBIKKTLKXSL-UHFFFAOYSA-N 0 0 301.390 3.835 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000286425231 434267205 /nfs/dbraw/zinc/26/72/05/434267205.db2.gz BJQSXEOMEVWICM-RBUKOAKNSA-N 0 0 318.420 3.252 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC000437509261 434273880 /nfs/dbraw/zinc/27/38/80/434273880.db2.gz UMMJVYNLSQKMTD-MJGOQNOKSA-N 0 0 301.430 3.415 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000364549440 434274283 /nfs/dbraw/zinc/27/42/83/434274283.db2.gz WPACFYRVGOEENZ-GOEBONIOSA-N 0 0 318.465 3.365 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NCc2cnc(C)nc2)cc1 ZINC000437236112 434236628 /nfs/dbraw/zinc/23/66/28/434236628.db2.gz NAJLGQSVVATTBT-UHFFFAOYSA-N 0 0 322.412 3.211 10 30 DGEERN C=CCOc1ccc(Br)cc1NCCC1(O)CC1 ZINC000417044274 434279994 /nfs/dbraw/zinc/27/99/94/434279994.db2.gz QBBKNNCUTWLEDI-UHFFFAOYSA-N 0 0 312.207 3.341 10 30 DGEERN CC1(C)OCC[C@H]1Nc1cc(Br)c(C#N)cc1F ZINC000328390547 434283961 /nfs/dbraw/zinc/28/39/61/434283961.db2.gz NTBGMJJBYYAXBT-GFCCVEGCSA-N 0 0 313.170 3.439 10 30 DGEERN Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c(C)s1 ZINC000328612906 434288101 /nfs/dbraw/zinc/28/81/01/434288101.db2.gz QADGZUXBZTVFAH-LSDHHAIUSA-N 0 0 319.430 3.242 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)COC2CCCCC2)cn1 ZINC000328629168 434292848 /nfs/dbraw/zinc/29/28/48/434292848.db2.gz ONKXXSWKPTZQLE-DOTOQJQBSA-N 0 0 321.421 3.039 10 30 DGEERN Cc1cc([C@H](C)NC(=O)c2cn(C)nc2[C@H]2CCOC2)c(C)o1 ZINC000328626780 434293153 /nfs/dbraw/zinc/29/31/53/434293153.db2.gz MCLLYXFOLDZEKC-AAEUAGOBSA-N 0 0 317.389 3.200 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328648751 434293598 /nfs/dbraw/zinc/29/35/98/434293598.db2.gz IMYMZOQUNULHCS-GXFFZTMASA-N 0 0 307.394 3.468 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](C)[C@@H]1C)CCC2 ZINC000328662388 434298435 /nfs/dbraw/zinc/29/84/35/434298435.db2.gz XHUJJZDWZPFXRJ-QEJZJMRPSA-N 0 0 304.438 3.103 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)CCC[C@@H]1C)CCC2 ZINC000328728244 434305640 /nfs/dbraw/zinc/30/56/40/434305640.db2.gz VLUYLRJSAGFWKT-KBMXLJTQSA-N 0 0 318.465 3.493 10 30 DGEERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@@H](C)C1 ZINC000328790878 434314965 /nfs/dbraw/zinc/31/49/65/434314965.db2.gz ZAGXFXBZEAXSGG-HZSPNIEDSA-N 0 0 307.438 3.310 10 30 DGEERN C[C@@H]1C[C@H](C)CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328790879 434315577 /nfs/dbraw/zinc/31/55/77/434315577.db2.gz ZAGXFXBZEAXSGG-MGPQQGTHSA-N 0 0 307.438 3.310 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437697317 434318740 /nfs/dbraw/zinc/31/87/40/434318740.db2.gz GPMIDUAQMSLFFH-UHTWSYAYSA-N 0 0 310.344 3.408 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)CC[C@@H]1CC[C@H](C)O1)CCC2 ZINC000328866580 434320782 /nfs/dbraw/zinc/32/07/82/434320782.db2.gz ZULQELATJFAERZ-KKUMJFAQSA-N 0 0 305.422 3.373 10 30 DGEERN CC[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1cc(F)ccc1F ZINC000328857194 434321510 /nfs/dbraw/zinc/32/15/10/434321510.db2.gz XQPIGOOTLXBUNU-ARFHVFGLSA-N 0 0 324.371 3.487 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1F ZINC000437520142 434278311 /nfs/dbraw/zinc/27/83/11/434278311.db2.gz PUYJTBKPCIGSAT-CZUORRHYSA-N 0 0 305.393 3.201 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000437938631 434371077 /nfs/dbraw/zinc/37/10/77/434371077.db2.gz YJKQLKKZHUKIPZ-HOTGVXAUSA-N 0 0 306.450 3.333 10 30 DGEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000329206968 434374714 /nfs/dbraw/zinc/37/47/14/434374714.db2.gz DZMNCFXBYMMLLC-IXYNUQLISA-N 0 0 321.421 3.066 10 30 DGEERN O=C(Nc1csc2ccccc12)C1CCS(=O)(=O)CC1 ZINC000329237552 434378099 /nfs/dbraw/zinc/37/80/99/434378099.db2.gz KJCOLLIQYYSMIS-UHFFFAOYSA-N 0 0 309.412 3.314 10 30 DGEERN COc1cnccc1[C@H](C)NC(=O)C[C@@H]1CCCCNC1=O ZINC000329267053 434382839 /nfs/dbraw/zinc/38/28/39/434382839.db2.gz DBDRTODYYGYYPO-RYUDHWBXSA-N 0 0 305.378 3.254 10 30 DGEERN C=CCCN(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000438038454 434388320 /nfs/dbraw/zinc/38/83/20/434388320.db2.gz NDWGHIJNRFPXNZ-OLZOCXBDSA-N 0 0 310.344 3.361 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000437779355 434334997 /nfs/dbraw/zinc/33/49/97/434334997.db2.gz WNVPBVKJUPVGDW-KMFMINBZSA-N 0 0 320.433 3.190 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)c1ccncc1 ZINC000287387029 434347640 /nfs/dbraw/zinc/34/76/40/434347640.db2.gz NEMTYZGCLHHBRV-RBUKOAKNSA-N 0 0 321.424 3.467 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1cccc(C(C)C)c1 ZINC000457800672 434351679 /nfs/dbraw/zinc/35/16/79/434351679.db2.gz XLZSNZRLIWHVNC-MJGOQNOKSA-N 0 0 301.430 3.450 10 30 DGEERN C#CCCOc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000295412751 434351753 /nfs/dbraw/zinc/35/17/53/434351753.db2.gz ULWAMCHIRUCQMW-WBVHZDCISA-N 0 0 319.351 3.206 10 30 DGEERN C=CCN(CCc1ccco1)Cc1noc(-c2cncc(C)c2)n1 ZINC000450701629 434353006 /nfs/dbraw/zinc/35/30/06/434353006.db2.gz WXPNAFGXLXTHCX-UHFFFAOYSA-N 0 0 324.384 3.264 10 30 DGEERN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(C#N)cc1F ZINC000358429650 434391261 /nfs/dbraw/zinc/39/12/61/434391261.db2.gz GDKQZOXHGXAGKS-LLVKDONJSA-N 0 0 324.359 3.061 10 30 DGEERN C=C(C)CCNc1cc(Br)cc(F)c1C(N)=O ZINC000450717988 434359732 /nfs/dbraw/zinc/35/97/32/434359732.db2.gz ROXZIQMVZYFFGJ-UHFFFAOYSA-N 0 0 301.159 3.065 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1CC=CCC1)C2 ZINC000329625603 434447173 /nfs/dbraw/zinc/44/71/73/434447173.db2.gz VGKDFQLYQZRAOB-KGLIPLIRSA-N 0 0 316.449 3.108 10 30 DGEERN CCN(C(=O)Nc1cn(C)nc1C1CC1)[C@@H]1CCOC(C)(C)C1 ZINC000329640434 434447341 /nfs/dbraw/zinc/44/73/41/434447341.db2.gz XBQLZFJBPKPYGS-CYBMUJFWSA-N 0 0 320.437 3.123 10 30 DGEERN C[C@@H](NCc1cn2ccsc2n1)c1ccc(C#N)cc1F ZINC000358552427 434395332 /nfs/dbraw/zinc/39/53/32/434395332.db2.gz FUMLZUZZEQKRKI-SNVBAGLBSA-N 0 0 300.362 3.257 10 30 DGEERN C[C@H](N[C@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576382 434397751 /nfs/dbraw/zinc/39/77/51/434397751.db2.gz UCYNLZQXJNWKPT-APPDUMDISA-N 0 0 302.324 3.221 10 30 DGEERN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C#N)n1C)[C@@H]2C ZINC000450780139 434403400 /nfs/dbraw/zinc/40/34/00/434403400.db2.gz PYDFTHQHZXGIAW-CHWSQXEVSA-N 0 0 323.396 3.053 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)c1ccncc1 ZINC000287610931 434408762 /nfs/dbraw/zinc/40/87/62/434408762.db2.gz ZGJDBXTXQWNTCC-VQIMIIECSA-N 0 0 321.424 3.419 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC[C@@H]1CC1(C)C)C2 ZINC000329471066 434418269 /nfs/dbraw/zinc/41/82/69/434418269.db2.gz ZGGMPLARVRRFBD-STQMWFEESA-N 0 0 318.465 3.045 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(C)ccnc1C ZINC000287652948 434418428 /nfs/dbraw/zinc/41/84/28/434418428.db2.gz WNIIFQFSIMUPEZ-KRWDZBQOSA-N 0 0 307.397 3.455 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCCO2)C12CCCC2 ZINC000329496622 434421569 /nfs/dbraw/zinc/42/15/69/434421569.db2.gz GCUUYVDBTASBOK-OWCLPIDISA-N 0 0 324.465 3.139 10 30 DGEERN C[C@H](NC(=O)[C@H]1CCOc2ccc(Cl)cc21)c1nc[nH]n1 ZINC000329493920 434421940 /nfs/dbraw/zinc/42/19/40/434421940.db2.gz FDCPEPMKIKREQR-WPRPVWTQSA-N 0 0 306.753 3.042 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000295764896 434436236 /nfs/dbraw/zinc/43/62/36/434436236.db2.gz HZXWRHFMCANJPG-UHFFFAOYSA-N 0 0 303.406 3.104 10 30 DGEERN Cn1cc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(C2CC2)n1 ZINC000329606190 434440300 /nfs/dbraw/zinc/44/03/00/434440300.db2.gz HVIOXFNWTWEKNK-DOOHLRMFSA-N 0 0 314.433 3.354 10 30 DGEERN Cc1csc([C@H]2CCCN(C([O-])=[NH+]c3c(C)noc3C)C2)n1 ZINC000329742594 434470194 /nfs/dbraw/zinc/47/01/94/434470194.db2.gz PNSVXMVUBDSMOH-LBPRGKRZSA-N 0 0 320.418 3.481 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000287869005 434472781 /nfs/dbraw/zinc/47/27/81/434472781.db2.gz SXCIXESTHJYAJN-KRWDZBQOSA-N 0 0 314.429 3.069 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)cc1C ZINC000417628267 434476114 /nfs/dbraw/zinc/47/61/14/434476114.db2.gz QUICIQNGYIMXJY-ZDUSSCGKSA-N 0 0 312.207 3.267 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000438453606 434480002 /nfs/dbraw/zinc/48/00/02/434480002.db2.gz ZAEMSPHKGSJUIE-SFHVURJKSA-N 0 0 319.449 3.864 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1 ZINC000366708359 434489309 /nfs/dbraw/zinc/48/93/09/434489309.db2.gz LDNZFNXFWCGSTQ-UHFFFAOYSA-N 0 0 312.413 3.031 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H]2CCCCO2)n1CC(=C)C ZINC000296056563 434495165 /nfs/dbraw/zinc/49/51/65/434495165.db2.gz RQKTUTQOKWBYQG-HNNXBMFYSA-N 0 0 304.438 3.498 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366748028 434501254 /nfs/dbraw/zinc/50/12/54/434501254.db2.gz QOSGPLUBFZIXBD-SJORKVTESA-N 0 0 318.461 3.052 10 30 DGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000408171591 434548537 /nfs/dbraw/zinc/54/85/37/434548537.db2.gz LHLPUMGSCFMNLX-CXAGYDPISA-N 0 0 318.442 3.068 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000367551146 434550294 /nfs/dbraw/zinc/55/02/94/434550294.db2.gz XLAZAVULCGVOAA-SJORKVTESA-N 0 0 302.418 3.372 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1nc2c(s1)CCCCC2 ZINC000408230286 434554342 /nfs/dbraw/zinc/55/43/42/434554342.db2.gz AIBQGDPHQYMTDI-QWRGUYRKSA-N 0 0 304.419 3.226 10 30 DGEERN Cc1ccc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)o1 ZINC000408269038 434557296 /nfs/dbraw/zinc/55/72/96/434557296.db2.gz HMABZSFUNNMJMG-UHFFFAOYSA-N 0 0 324.446 3.365 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCc2nc(C)sc21)OCC ZINC000367880747 434559128 /nfs/dbraw/zinc/55/91/28/434559128.db2.gz VQORXNYOHRUUJH-ZIAGYGMSSA-N 0 0 308.447 3.316 10 30 DGEERN N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000003195490 295006419 /nfs/dbraw/zinc/00/64/19/295006419.db2.gz HLVQASGOBVEBLJ-SVRYVPOOSA-N 0 0 317.820 3.048 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000408339544 434563371 /nfs/dbraw/zinc/56/33/71/434563371.db2.gz QHMDNCHYYNPICD-IUODEOHRSA-N 0 0 305.381 3.146 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000408330032 434563574 /nfs/dbraw/zinc/56/35/74/434563574.db2.gz LHPUNNKTAHMZIS-LRDDRELGSA-N 0 0 307.397 3.469 10 30 DGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@]1(C#N)CC12CCCC2 ZINC000451339322 434564664 /nfs/dbraw/zinc/56/46/64/434564664.db2.gz ZWHGELILCSQALZ-UHIISALHSA-N 0 0 300.324 3.260 10 30 DGEERN Cc1csc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1Br ZINC000408357252 434565516 /nfs/dbraw/zinc/56/55/16/434565516.db2.gz JWIFCTYVBGNFLC-RKDXNWHRSA-N 0 0 313.220 3.241 10 30 DGEERN Cc1ccc(-c2cc(C(=O)N3CCC(C)(C#N)CC3)[nH]n2)c(C)c1 ZINC000408373593 434569622 /nfs/dbraw/zinc/56/96/22/434569622.db2.gz LSHHYWWYZCJOCV-UHFFFAOYSA-N 0 0 322.412 3.459 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000368729655 434582583 /nfs/dbraw/zinc/58/25/83/434582583.db2.gz QPHVKDCYZRZQIJ-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000452402258 434595616 /nfs/dbraw/zinc/59/56/16/434595616.db2.gz ZOMZIBQGIMYHIB-RDJZCZTQSA-N 0 0 307.397 3.210 10 30 DGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330229254 295383321 /nfs/dbraw/zinc/38/33/21/295383321.db2.gz PZLYIGFQDNIADP-NWANDNLSSA-N 0 0 315.417 3.028 10 30 DGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCCC2 ZINC000370494994 434613076 /nfs/dbraw/zinc/61/30/76/434613076.db2.gz NURUDDJFWJWPST-CYBMUJFWSA-N 0 0 322.364 3.289 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC000424119504 434627887 /nfs/dbraw/zinc/62/78/87/434627887.db2.gz DUDHYZXSTIXSOB-CHWSQXEVSA-N 0 0 322.478 3.036 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCO[C@@](C)(CC)C1 ZINC000424123293 434628181 /nfs/dbraw/zinc/62/81/81/434628181.db2.gz JZZNGVCCEJPFOH-BBRMVZONSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCS[C@@H](CC)C1 ZINC000424120721 434628215 /nfs/dbraw/zinc/62/82/15/434628215.db2.gz GVOFRYVWWHVWCE-QWHCGFSZSA-N 0 0 324.519 3.364 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000410067019 434632652 /nfs/dbraw/zinc/63/26/52/434632652.db2.gz IMTZWIZHOLQIPP-AWEZNQCLSA-N 0 0 305.418 3.306 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000459553767 434603210 /nfs/dbraw/zinc/60/32/10/434603210.db2.gz ZNWMBUGTMPZIJZ-FPTDNZKUSA-N 0 0 320.458 3.038 10 30 DGEERN C=CC(C)(C)CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000411039441 434702968 /nfs/dbraw/zinc/70/29/68/434702968.db2.gz YASOUQDIVDTTGB-UHFFFAOYSA-N 0 0 324.424 3.396 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1scnc1C1CC1 ZINC000411074345 434712652 /nfs/dbraw/zinc/71/26/52/434712652.db2.gz WPOYUNFEWGKBIC-UHFFFAOYSA-N 0 0 311.366 3.347 10 30 DGEERN C=CCCCN(C)C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000360890360 434721927 /nfs/dbraw/zinc/72/19/27/434721927.db2.gz RUFNNSBGBZWFJM-UHFFFAOYSA-N 0 0 306.410 3.012 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nccc(-c2ccccc2)n1 ZINC000459905214 434733886 /nfs/dbraw/zinc/73/38/86/434733886.db2.gz NDOPKHKIARQOHN-GDBMZVCRSA-N 0 0 309.369 3.063 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000459945585 434735838 /nfs/dbraw/zinc/73/58/38/434735838.db2.gz QQRWRCIREPXFEN-UHFFFAOYSA-N 0 0 322.493 3.474 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000424535857 434736507 /nfs/dbraw/zinc/73/65/07/434736507.db2.gz FROMMFLHZCDSIK-UHFFFAOYSA-N 0 0 312.417 3.038 10 30 DGEERN C=CCOCC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440749381 434740385 /nfs/dbraw/zinc/74/03/85/434740385.db2.gz BGNIYGIDMGLBIZ-AWEZNQCLSA-N 0 0 319.792 3.082 10 30 DGEERN C=CCOCCOc1cccc2c(CC(=O)OC)cccc12 ZINC000419077416 434741214 /nfs/dbraw/zinc/74/12/14/434741214.db2.gz JJQJTGJSMNPJGP-UHFFFAOYSA-N 0 0 300.354 3.137 10 30 DGEERN C=CCC1(C(=O)N(C)CCOc2ccc(F)cc2)CCOCC1 ZINC000424564868 434743584 /nfs/dbraw/zinc/74/35/84/434743584.db2.gz POYDMVUGEJYGSU-UHFFFAOYSA-N 0 0 321.392 3.036 10 30 DGEERN C=CCC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCOCC1 ZINC000424564438 434744112 /nfs/dbraw/zinc/74/41/12/434744112.db2.gz OFYWFVITEFJUSC-UHFFFAOYSA-N 0 0 323.776 3.380 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(OCCC)cc2)CCOCC1 ZINC000424602676 434756088 /nfs/dbraw/zinc/75/60/88/434756088.db2.gz LYDAGBSSUXQQSM-UHFFFAOYSA-N 0 0 317.429 3.465 10 30 DGEERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000440989278 434758957 /nfs/dbraw/zinc/75/89/57/434758957.db2.gz SPOCJHMMGOGADI-YWPUVAFDSA-N 0 0 317.355 3.299 10 30 DGEERN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000460554781 434762180 /nfs/dbraw/zinc/76/21/80/434762180.db2.gz RTVRUXVJGPADQY-GJZGRUSLSA-N 0 0 314.458 3.495 10 30 DGEERN C=C(C)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1C(C)(C)C ZINC000460570096 434762292 /nfs/dbraw/zinc/76/22/92/434762292.db2.gz DUJKRWPICHOUQZ-ZDUSSCGKSA-N 0 0 306.454 3.155 10 30 DGEERN C=CCC1(C(=O)NCc2nc3c(s2)CCCC3)CCOCC1 ZINC000424639073 434765705 /nfs/dbraw/zinc/76/57/05/434765705.db2.gz HROBNMGMPLTIDZ-UHFFFAOYSA-N 0 0 320.458 3.011 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CCOCC1 ZINC000424688501 434780004 /nfs/dbraw/zinc/78/00/04/434780004.db2.gz WOQFBYMSJYUNJW-HZPDHXFCSA-N 0 0 323.477 3.317 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)COc2cccc(F)c2)CCOCC1 ZINC000424711727 434784864 /nfs/dbraw/zinc/78/48/64/434784864.db2.gz CRRXAGHFVIGHMP-AWEZNQCLSA-N 0 0 321.392 3.082 10 30 DGEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)CCC1=O ZINC000328916908 297320056 /nfs/dbraw/zinc/32/00/56/297320056.db2.gz AQODIJBGCVBVEK-DNNBLBMLSA-N 0 0 301.386 3.478 10 30 DGEERN C=CCC1(C(=O)N[C@@H](CCOC)c2ccc(C)o2)CCOCC1 ZINC000424779860 434801547 /nfs/dbraw/zinc/80/15/47/434801547.db2.gz GNIPDVLXMMWMLQ-HNNXBMFYSA-N 0 0 321.417 3.155 10 30 DGEERN C=CCN(CC=C)C(=O)CSCc1ccc(COC)cc1 ZINC000419480224 434796577 /nfs/dbraw/zinc/79/65/77/434796577.db2.gz MXYMADIBQMQUHA-UHFFFAOYSA-N 0 0 305.443 3.267 10 30 DGEERN C=C(C)CN(CC)C(=O)CSCc1nnc(C2CC2)s1 ZINC000419572005 434810913 /nfs/dbraw/zinc/81/09/13/434810913.db2.gz HBDWFKZQRIJKAM-UHFFFAOYSA-N 0 0 311.476 3.073 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)nn1 ZINC000424847474 434815051 /nfs/dbraw/zinc/81/50/51/434815051.db2.gz NJVJIGTZZBVWSU-MRXNPFEDSA-N 0 0 323.400 3.019 10 30 DGEERN CC1(C#N)CN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000361195495 434826988 /nfs/dbraw/zinc/82/69/88/434826988.db2.gz IZIZIJIWUMCUHT-NEPJUHHUSA-N 0 0 324.302 3.061 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000424905223 434827994 /nfs/dbraw/zinc/82/79/94/434827994.db2.gz BPOYZNCCQSKVDD-SDBXPKJASA-N 0 0 318.175 3.453 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000424928709 434829242 /nfs/dbraw/zinc/82/92/42/434829242.db2.gz ADOGNBMZLZOAOS-KMFMINBZSA-N 0 0 305.393 3.102 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1ccccc1Cl ZINC000424924072 434829413 /nfs/dbraw/zinc/82/94/13/434829413.db2.gz LATTUMOEZCSZRJ-HOCLYGCPSA-N 0 0 307.821 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(CC(C)C)cc1 ZINC000424919088 434829525 /nfs/dbraw/zinc/82/95/25/434829525.db2.gz WGXUAGBHCNTGSF-ROUUACIJSA-N 0 0 301.430 3.135 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000424932922 434829905 /nfs/dbraw/zinc/82/99/05/434829905.db2.gz OXDUFFDLWBDARR-ALYAQQCSSA-N 0 0 309.450 3.068 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1F ZINC000424935271 434830072 /nfs/dbraw/zinc/83/00/72/434830072.db2.gz XNNYGNRESCVTGL-ZANVPECISA-N 0 0 317.282 3.165 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000372805941 434855489 /nfs/dbraw/zinc/85/54/89/434855489.db2.gz TWDHAJUWQUWXQT-HNNXBMFYSA-N 0 0 320.477 3.276 10 30 DGEERN C=CCCCCCNC(=O)c1ccccc1S(=O)(=O)CCC ZINC000521266659 434878446 /nfs/dbraw/zinc/87/84/46/434878446.db2.gz FZZICQWAJIANHI-UHFFFAOYSA-N 0 0 323.458 3.347 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC[C@@H](O)CC2CCCC2)cc1 ZINC000573713175 434919519 /nfs/dbraw/zinc/91/95/19/434919519.db2.gz KRSAGFNSSBPINC-KRWDZBQOSA-N 0 0 317.433 3.347 10 30 DGEERN C=CCCCCCNC(=O)NCc1cn2c(cccc2C)n1 ZINC000573017653 434868429 /nfs/dbraw/zinc/86/84/29/434868429.db2.gz MISFAVPTOVLWRQ-UHFFFAOYSA-N 0 0 300.406 3.188 10 30 DGEERN C=CCCC[C@@H](C)N1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000461208657 434873052 /nfs/dbraw/zinc/87/30/52/434873052.db2.gz URKGBTCLHYESDA-PXAZEXFGSA-N 0 0 304.365 3.338 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000574272269 434964235 /nfs/dbraw/zinc/96/42/35/434964235.db2.gz NUTCYPNKTUWGOT-RYQLBKOJSA-N 0 0 314.429 3.336 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(Cl)c1N(C)C ZINC000574394437 434974933 /nfs/dbraw/zinc/97/49/33/434974933.db2.gz FIANXLRKRAHBAO-FZMZJTMJSA-N 0 0 323.824 3.119 10 30 DGEERN CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000462623136 434922139 /nfs/dbraw/zinc/92/21/39/434922139.db2.gz YEHPTGLUOMBDDO-BLLLJJGKSA-N 0 0 324.421 3.287 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528279295 435022153 /nfs/dbraw/zinc/02/21/53/435022153.db2.gz JOGOWCLKFHHPPD-ABHRYQDASA-N 0 0 308.447 3.258 10 30 DGEERN C=C[C@@H](C)NC(=O)NCc1c(C)cc(Br)cc1C ZINC000465225044 435022541 /nfs/dbraw/zinc/02/25/41/435022541.db2.gz OLFSZWOIUCNUFG-LLVKDONJSA-N 0 0 311.223 3.440 10 30 DGEERN CCc1cc(CC(=O)OC)cc(SC(F)(F)F)c1C#N ZINC000575389166 435033963 /nfs/dbraw/zinc/03/39/63/435033963.db2.gz AYKBEZJEEKYLOF-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1C(F)(F)F ZINC000575345226 435030766 /nfs/dbraw/zinc/03/07/66/435030766.db2.gz KWCIGQNTPCLTMK-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN COC(=O)Cc1c(OC(F)(F)F)cc(C#N)cc1C(F)F ZINC000575343936 435030893 /nfs/dbraw/zinc/03/08/93/435030893.db2.gz KHOGLDYKAOHBEP-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1C(F)(F)F ZINC000575345388 435031819 /nfs/dbraw/zinc/03/18/19/435031819.db2.gz ZRYAVNGXOCWGPS-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1OC(F)(F)F ZINC000575388801 435034301 /nfs/dbraw/zinc/03/43/01/435034301.db2.gz GMMMSUIYYUITSK-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000574454898 434979726 /nfs/dbraw/zinc/97/97/26/434979726.db2.gz GTBAIMKYXKRMKF-UHFFFAOYSA-N 0 0 316.364 3.438 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2ccccc2n1CCC ZINC000555599606 434980751 /nfs/dbraw/zinc/98/07/51/434980751.db2.gz GSYBNVUTMKTGRE-CZUORRHYSA-N 0 0 313.401 3.366 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1CC ZINC000575388953 435034596 /nfs/dbraw/zinc/03/45/96/435034596.db2.gz MYKYKVDDUDAFEH-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COC(=O)Cc1c(C#N)ccc(Br)c1C(F)(F)F ZINC000575383770 435032956 /nfs/dbraw/zinc/03/29/56/435032956.db2.gz KDDQFWVTBJDGRR-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1C(F)(F)F ZINC000575381211 435033000 /nfs/dbraw/zinc/03/30/00/435033000.db2.gz YOHSGCBFIXDHIQ-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN COC(=O)Cc1c(Br)cc(C#N)cc1C(F)(F)F ZINC000575383675 435033032 /nfs/dbraw/zinc/03/30/32/435033032.db2.gz FKEQTEQBQXQGCC-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2nc3ccccc3s2)c1 ZINC000531387981 435090582 /nfs/dbraw/zinc/09/05/82/435090582.db2.gz RYFPMNULOOMWEC-UHFFFAOYSA-N 0 0 307.378 3.027 10 30 DGEERN C[C@H]1CN(C)c2ccccc2N(C(=O)Cc2cccc(C#N)c2)C1 ZINC000531391480 435089579 /nfs/dbraw/zinc/08/95/79/435089579.db2.gz HSTOIWQNXHOTRN-HNNXBMFYSA-N 0 0 319.408 3.220 10 30 DGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000575393494 435035021 /nfs/dbraw/zinc/03/50/21/435035021.db2.gz CSCQKCUMRQGZDT-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1cc(C=O)c(C#N)c(SC(F)(F)F)c1 ZINC000575391066 435035245 /nfs/dbraw/zinc/03/52/45/435035245.db2.gz HVILJJHMFZMJLC-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575393485 435035338 /nfs/dbraw/zinc/03/53/38/435035338.db2.gz CLKHMQFWGCMVPR-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(C=O)c(SC(F)(F)F)c1 ZINC000575391369 435035526 /nfs/dbraw/zinc/03/55/26/435035526.db2.gz KMIDBDKBDCKBCB-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1cc(C=O)cc(SC(F)(F)F)c1C#N ZINC000575390958 435035740 /nfs/dbraw/zinc/03/57/40/435035740.db2.gz BLKJVPHSTYCBKG-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(C=O)cc1SC(F)(F)F ZINC000575391841 435035748 /nfs/dbraw/zinc/03/57/48/435035748.db2.gz XCVNGBOPQHFHRY-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1c(F)cc(C#N)cc1SC(F)(F)F ZINC000575390608 435035855 /nfs/dbraw/zinc/03/58/55/435035855.db2.gz FMEZCLXJDPROMW-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)cc1OC ZINC000575395238 435036142 /nfs/dbraw/zinc/03/61/42/435036142.db2.gz ZFPRXIKWXIOLJF-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)c1c(SC(F)(F)F)ccc(C#N)c1OC ZINC000575395056 435036282 /nfs/dbraw/zinc/03/62/82/435036282.db2.gz WYCKYRWBWZQOOS-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1ccc(SC(F)(F)F)c(C#N)c1OC ZINC000575395033 435036297 /nfs/dbraw/zinc/03/62/97/435036297.db2.gz VGQQIAVYNSIFQI-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN Cc1cc(I)c(OC(F)F)cc1C#N ZINC000575664282 435040504 /nfs/dbraw/zinc/04/05/04/435040504.db2.gz WULQVHNWUBBLKX-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN N#CCc1cc(OC(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575664998 435040519 /nfs/dbraw/zinc/04/05/19/435040519.db2.gz APMXJGYASMIWGU-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN Cc1cc(OC(F)F)c(I)cc1CC#N ZINC000575664354 435040624 /nfs/dbraw/zinc/04/06/24/435040624.db2.gz YGCCXUMAQMBFSO-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN Cc1ccc(C#N)c(OC(F)F)c1I ZINC000575663949 435040846 /nfs/dbraw/zinc/04/08/46/435040846.db2.gz PWTLYPRUOUNKNK-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1ccc(OC(F)F)c(C#N)c1I ZINC000575663982 435041038 /nfs/dbraw/zinc/04/10/38/435041038.db2.gz RHBBHFLCDZIUQA-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1cc(Br)cc(C#N)c1I ZINC000575692446 435045086 /nfs/dbraw/zinc/04/50/86/435045086.db2.gz FEAGFPQOBLBFIQ-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN COc1cc(Br)c(Br)cc1CC#N ZINC000575694241 435045135 /nfs/dbraw/zinc/04/51/35/435045135.db2.gz KRFJOTYZHHTRMU-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN N#CCc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000575694243 435045449 /nfs/dbraw/zinc/04/54/49/435045449.db2.gz HISGAOCPOUIPTR-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN CC(=O)Nc1cccc(NC(=O)Cc2cccc(C#N)c2)c1C ZINC000530671765 435046264 /nfs/dbraw/zinc/04/62/64/435046264.db2.gz PRNZCNHQNWPQBS-UHFFFAOYSA-N 0 0 307.353 3.006 10 30 DGEERN COc1cc(SC)cc(I)c1CC#N ZINC000575708932 435049185 /nfs/dbraw/zinc/04/91/85/435049185.db2.gz PEPZBEQXXMEUNN-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN Cc1ccc2c(c1)N(C(=O)Cc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000531392020 435090216 /nfs/dbraw/zinc/09/02/16/435090216.db2.gz NWIRIARASSXTGC-CQSZACIVSA-N 0 0 306.365 3.223 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2ccccn2)c1C ZINC000576030525 435054451 /nfs/dbraw/zinc/05/44/51/435054451.db2.gz ZAVRLSCMASZXFB-KXBFYZLASA-N 0 0 322.408 3.378 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000576032851 435054779 /nfs/dbraw/zinc/05/47/79/435054779.db2.gz QCZQRMUZDCUZCF-XZJROXQQSA-N 0 0 324.371 3.306 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000576456752 435055609 /nfs/dbraw/zinc/05/56/09/435055609.db2.gz BWQTVXOZRKQQBZ-MJBXVCDLSA-N 0 0 313.401 3.369 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557501028 435056281 /nfs/dbraw/zinc/05/62/81/435056281.db2.gz FRJMDDYRAQFGIK-MLGOLLRUSA-N 0 0 322.836 3.275 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC000475388849 435194577 /nfs/dbraw/zinc/19/45/77/435194577.db2.gz HCICXZWYUGQRMB-AWEZNQCLSA-N 0 0 313.319 3.266 10 30 DGEERN C[C@H](CCOCc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000561721955 435231624 /nfs/dbraw/zinc/23/16/24/435231624.db2.gz FRIMQZWLBOEHTO-MRXNPFEDSA-N 0 0 322.408 3.212 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1coc2c1ccc(C)c2C ZINC000580423116 435232104 /nfs/dbraw/zinc/23/21/04/435232104.db2.gz FHHHMGHCDIVZQA-YOEHRIQHSA-N 0 0 313.397 3.299 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CC)CCC ZINC000562028248 435248541 /nfs/dbraw/zinc/24/85/41/435248541.db2.gz YKCAIKKNYBBWEW-MRXNPFEDSA-N 0 0 312.417 3.377 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000564713367 435274153 /nfs/dbraw/zinc/27/41/53/435274153.db2.gz MITSWMKDSYDNGL-NVXWUHKLSA-N 0 0 316.401 3.323 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000564886556 435275859 /nfs/dbraw/zinc/27/58/59/435275859.db2.gz RHLUDOVRENYEPD-NOLJZWGESA-N 0 0 304.390 3.107 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565081534 435276876 /nfs/dbraw/zinc/27/68/76/435276876.db2.gz PPFXMKFTXKMDNQ-LSDHHAIUSA-N 0 0 304.409 3.465 10 30 DGEERN C=C(C)CCS[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000507096820 435309160 /nfs/dbraw/zinc/30/91/60/435309160.db2.gz ACCVGCRKUVIWHM-LBPRGKRZSA-N 0 0 315.446 3.380 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000565771158 435280777 /nfs/dbraw/zinc/28/07/77/435280777.db2.gz CAESJDVWNDQALQ-KSZLIROESA-N 0 0 314.429 3.085 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC000584172517 435280897 /nfs/dbraw/zinc/28/08/97/435280897.db2.gz SZIVGYLGPSPKAD-OAHLLOKOSA-N 0 0 318.465 3.201 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000565854518 435283417 /nfs/dbraw/zinc/28/34/17/435283417.db2.gz OERKVLOFBATTBQ-JZXOWHBKSA-N 0 0 300.446 3.368 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000566463509 435286174 /nfs/dbraw/zinc/28/61/74/435286174.db2.gz FTGMEOKSXXKGCN-LBPRGKRZSA-N 0 0 317.355 3.319 10 30 DGEERN CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000507503432 435309903 /nfs/dbraw/zinc/30/99/03/435309903.db2.gz WGJGZPUGPFYCII-GXTWGEPZSA-N 0 0 324.421 3.190 10 30 DGEERN C=CCC1(NC(=O)NCc2noc(C3CC3)n2)CCCCC1 ZINC000562664924 435262338 /nfs/dbraw/zinc/26/23/38/435262338.db2.gz HKPYJIFCNIBFHB-UHFFFAOYSA-N 0 0 304.394 3.025 10 30 DGEERN Cc1ccc(C#N)c(N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000535749333 435348407 /nfs/dbraw/zinc/34/84/07/435348407.db2.gz IMSRDHBOXUOXJE-AWEZNQCLSA-N 0 0 315.417 3.210 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000567859425 435363138 /nfs/dbraw/zinc/36/31/38/435363138.db2.gz BOAABVFFSUPJCQ-GMXVVIOVSA-N 0 0 317.462 3.377 10 30 DGEERN C=CCCCN(C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000536681187 435402958 /nfs/dbraw/zinc/40/29/58/435402958.db2.gz RVAFKKFGKCVICD-UHFFFAOYSA-N 0 0 308.788 3.458 10 30 DGEERN C=CCCCCCNC(=O)N1CCCN(c2nccs2)CC1 ZINC000568188297 435403704 /nfs/dbraw/zinc/40/37/04/435403704.db2.gz BJGWKECRXBLDIW-UHFFFAOYSA-N 0 0 322.478 3.111 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(CSC)c1 ZINC000515309734 435473915 /nfs/dbraw/zinc/47/39/15/435473915.db2.gz JANXEWWNPCIFQV-UHFFFAOYSA-N 0 0 320.458 3.351 10 30 DGEERN C(#Cc1ccccc1)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000483686652 435528175 /nfs/dbraw/zinc/52/81/75/435528175.db2.gz AXEXKTGMOGSOSC-NRFANRHFSA-N 0 0 305.421 3.372 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000568919648 435485569 /nfs/dbraw/zinc/48/55/69/435485569.db2.gz ZZDWWIKFRVAFRV-OAHLLOKOSA-N 0 0 318.417 3.457 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483157706 435497264 /nfs/dbraw/zinc/49/72/64/435497264.db2.gz KQBHPUAMXPINEP-KRWDZBQOSA-N 0 0 322.449 3.418 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1cccs1)C(CC)CC ZINC000539712255 435564471 /nfs/dbraw/zinc/56/44/71/435564471.db2.gz LCLZSUXGTFJZGM-HIFRSBDPSA-N 0 0 310.463 3.462 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)Cn1cnc2c1CCCC2 ZINC000539784347 435568486 /nfs/dbraw/zinc/56/84/86/435568486.db2.gz BHERGNVCFOJYDG-UHFFFAOYSA-N 0 0 323.440 3.019 10 30 DGEERN CCCCC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486706584 435611364 /nfs/dbraw/zinc/61/13/64/435611364.db2.gz VGHHAMIQUICKNK-CQSZACIVSA-N 0 0 324.421 3.431 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000540422114 435599408 /nfs/dbraw/zinc/59/94/08/435599408.db2.gz BBEQEEGEILSWCR-WBVHZDCISA-N 0 0 319.445 3.268 10 30 DGEERN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1Nc1ccncc1C#N ZINC000548483977 435696999 /nfs/dbraw/zinc/69/69/99/435696999.db2.gz QUDQUNLHPDOYQY-ZWKOTPCHSA-N 0 0 307.397 3.171 10 30 DGEERN C=CC(C)(C)CNC(=O)NC[C@H]1CSc2ccccc2O1 ZINC000520400379 435744007 /nfs/dbraw/zinc/74/40/07/435744007.db2.gz HLGAYILOTBZZKK-LBPRGKRZSA-N 0 0 306.431 3.051 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(C2CC2)cc1 ZINC000572200572 435793535 /nfs/dbraw/zinc/79/35/35/435793535.db2.gz ZGXKVOQUJUALMH-ZWKOTPCHSA-N 0 0 314.429 3.344 10 30 DGEERN C=CCCCCCN1C(=O)CN(CCc2ccccc2)C1=O ZINC000572688959 435855070 /nfs/dbraw/zinc/85/50/70/435855070.db2.gz VXXFQLPFMYFUDT-UHFFFAOYSA-N 0 0 300.402 3.240 10 30 DGEERN Cc1ccc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)nc1C#N ZINC000408031361 301627081 /nfs/dbraw/zinc/62/70/81/301627081.db2.gz MKWPYLPCNQIRKP-QGZVFWFLSA-N 0 0 321.428 3.216 10 30 DGEERN O=C(N[C@@H]1CCCCC12CCCC2)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329646339 303515483 /nfs/dbraw/zinc/51/54/83/303515483.db2.gz ZUDBVOZYBUKSJY-PBHICJAKSA-N 0 0 319.449 3.456 10 30 DGEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C1CCOCC1 ZINC000179360956 312804790 /nfs/dbraw/zinc/80/47/90/312804790.db2.gz GICZZEQLBNGMBX-JTQLQIEISA-N 0 0 304.415 3.110 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000532807604 313580276 /nfs/dbraw/zinc/58/02/76/313580276.db2.gz KDGQDNAIZRWXON-UHFFFAOYSA-N 0 0 303.321 3.394 10 30 DGEERN Cn1cc(NC(=O)Cc2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC000536924368 313791956 /nfs/dbraw/zinc/79/19/56/313791956.db2.gz IOEBWPVJMVPMDQ-UHFFFAOYSA-N 0 0 316.364 3.140 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000541872456 314044685 /nfs/dbraw/zinc/04/46/85/314044685.db2.gz RLITYAOELKSKFP-CYBMUJFWSA-N 0 0 312.394 3.161 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542506371 314080598 /nfs/dbraw/zinc/08/05/98/314080598.db2.gz CLZMVFZPEQBDTI-UHFFFAOYSA-N 0 0 321.336 3.232 10 30 DGEERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Cc2cccc(C#N)c2)C1 ZINC000542583231 314086369 /nfs/dbraw/zinc/08/63/69/314086369.db2.gz YUZOMPTYPFZUAR-RDTXWAMCSA-N 0 0 305.381 3.105 10 30 DGEERN COc1cc(Cc2noc(Cc3cccc(C#N)c3)n2)ccc1C ZINC000546301515 314300470 /nfs/dbraw/zinc/30/04/70/314300470.db2.gz ZWSJETYETULRIM-UHFFFAOYSA-N 0 0 319.364 3.440 10 30 DGEERN N#Cc1cnccc1N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000547835070 314401188 /nfs/dbraw/zinc/40/11/88/314401188.db2.gz ZRIFZNFWZYNSCN-UHFFFAOYSA-N 0 0 319.364 3.018 10 30 DGEERN N#Cc1cnccc1N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000548152629 314426280 /nfs/dbraw/zinc/42/62/80/314426280.db2.gz JPHRMIHPEBJISA-HIFRSBDPSA-N 0 0 314.186 3.106 10 30 DGEERN Cc1nc(-c2ccccc2)sc1CNc1ccncc1C#N ZINC000548480248 314451954 /nfs/dbraw/zinc/45/19/54/314451954.db2.gz MYQVFJVUHQUOEB-UHFFFAOYSA-N 0 0 306.394 3.419 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000555424599 314723801 /nfs/dbraw/zinc/72/38/01/314723801.db2.gz CTAATSBPJFPSPM-UHFFFAOYSA-N 0 0 302.765 3.321 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000561188684 314958099 /nfs/dbraw/zinc/95/80/99/314958099.db2.gz GJYAMVVYDNTGOT-UHFFFAOYSA-N 0 0 310.376 3.255 10 30 DGEERN N#Cc1ccccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179877133 323216008 /nfs/dbraw/zinc/21/60/08/323216008.db2.gz ZFEDJVKCLCCCCG-UHFFFAOYSA-N 0 0 320.308 3.129 10 30 DGEERN CC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1Cl ZINC000182292996 323290896 /nfs/dbraw/zinc/29/08/96/323290896.db2.gz GDNYZOUHSCWRHJ-UHFFFAOYSA-N 0 0 301.733 3.005 10 30 DGEERN COC(=O)c1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1 ZINC000192592533 323455223 /nfs/dbraw/zinc/45/52/23/323455223.db2.gz SGYGGBRQOLZRAZ-UHFFFAOYSA-N 0 0 321.380 3.231 10 30 DGEERN COc1ccc(Cc2noc(Cc3cccc(C#N)c3)n2)c(F)c1 ZINC000581705665 324146737 /nfs/dbraw/zinc/14/67/37/324146737.db2.gz MZBRLDXVQLOJCA-UHFFFAOYSA-N 0 0 323.327 3.271 10 30 DGEERN C=CCN(C(=O)NCCc1cccc(C(F)(F)F)n1)C1CC1 ZINC000297505445 331600509 /nfs/dbraw/zinc/60/05/09/331600509.db2.gz VQZNTKIZKPPSHV-UHFFFAOYSA-N 0 0 313.323 3.003 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558151508 331879729 /nfs/dbraw/zinc/87/97/29/331879729.db2.gz RJWWKXFYTKYZPP-LBPRGKRZSA-N 0 0 315.373 3.337 10 30 DGEERN C=CCc1ccc(OCC(=O)Nc2csc(C)n2)c(OC)c1 ZINC000558713393 331938066 /nfs/dbraw/zinc/93/80/66/331938066.db2.gz FLJSVVQXKFBWJQ-UHFFFAOYSA-N 0 0 318.398 3.206 10 30 DGEERN C=CCCCNC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000518306101 332010083 /nfs/dbraw/zinc/01/00/83/332010083.db2.gz JCFFLKSICRMCLC-CYBMUJFWSA-N 0 0 316.323 3.004 10 30 DGEERN N#CCOc1cccc(CC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000089583610 332072864 /nfs/dbraw/zinc/07/28/64/332072864.db2.gz ROFWBGIMZVLPMP-IBGZPJMESA-N 0 0 320.392 3.325 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000181539101 332198667 /nfs/dbraw/zinc/19/86/67/332198667.db2.gz UXEWTNKEVSAQKT-ZDUSSCGKSA-N 0 0 300.324 3.378 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000559730521 332277634 /nfs/dbraw/zinc/27/76/34/332277634.db2.gz ZEHGTWQRPOIHFD-MRXNPFEDSA-N 0 0 323.392 3.303 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565081530 332559808 /nfs/dbraw/zinc/55/98/08/332559808.db2.gz PPFXMKFTXKMDNQ-HUUCEWRRSA-N 0 0 304.409 3.465 10 30 DGEERN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000159570878 332663361 /nfs/dbraw/zinc/66/33/61/332663361.db2.gz YXXHIGFTYDDOKF-HZMBPMFUSA-N 0 0 310.319 3.302 10 30 DGEERN C=CCCCCCNC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000569937799 332694441 /nfs/dbraw/zinc/69/44/41/332694441.db2.gz OCMJCMMGHWNCAB-UHFFFAOYSA-N 0 0 315.392 3.417 10 30 DGEERN C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1CC1 ZINC000570320173 332739732 /nfs/dbraw/zinc/73/97/32/332739732.db2.gz GAHQOCOJWSKHFB-UHFFFAOYSA-N 0 0 320.343 3.331 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCc2nncn2C1 ZINC000570350368 332743290 /nfs/dbraw/zinc/74/32/90/332743290.db2.gz HBNZPWLNXQKPAU-HNNXBMFYSA-N 0 0 324.428 3.331 10 30 DGEERN C=CCc1cc(CNC(=O)C2(CF)CCC2)cc(OC)c1OC ZINC000570451849 332757525 /nfs/dbraw/zinc/75/75/25/332757525.db2.gz BHBOABJYSJEGGW-UHFFFAOYSA-N 0 0 321.392 3.188 10 30 DGEERN C[C@@H](C#N)CNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000187698909 332982164 /nfs/dbraw/zinc/98/21/64/332982164.db2.gz VOCORSWQOAKKKT-CPCISQLKSA-N 0 0 321.249 3.027 10 30 DGEERN C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000364056351 333228912 /nfs/dbraw/zinc/22/89/12/333228912.db2.gz ONPVNBMJOVZXQC-LBPRGKRZSA-N 0 0 318.808 3.293 10 30 DGEERN C=CCCCN(C)C(=O)NCCCc1cc(OC)ccc1OC ZINC000533947144 333418829 /nfs/dbraw/zinc/41/88/29/333418829.db2.gz WGRNNQDUWJOZME-UHFFFAOYSA-N 0 0 320.433 3.244 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000185731959 335147249 /nfs/dbraw/zinc/14/72/49/335147249.db2.gz MMEMRBONSFESAO-ZDUSSCGKSA-N 0 0 313.405 3.327 10 30 DGEERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 ZINC000531870692 333587158 /nfs/dbraw/zinc/58/71/58/333587158.db2.gz NDAIJLDNEPVEQF-AWEZNQCLSA-N 0 0 320.433 3.041 10 30 DGEERN CCc1ccc(S(=O)(=O)N[C@H](C#N)C2CCCCC2)s1 ZINC000049044656 334311097 /nfs/dbraw/zinc/31/10/97/334311097.db2.gz PTIMBWHVRANHMP-CYBMUJFWSA-N 0 0 312.460 3.061 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(CC#Cc1ccc(F)cc1)CC2 ZINC000535211116 334378810 /nfs/dbraw/zinc/37/88/10/334378810.db2.gz KORLHQIPOOPOSU-UHFFFAOYSA-N 0 0 321.395 3.481 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532139403 335903532 /nfs/dbraw/zinc/90/35/32/335903532.db2.gz XQHFNMAJMVHYQN-UHFFFAOYSA-N 0 0 313.313 3.197 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)C#N ZINC000352535461 336223049 /nfs/dbraw/zinc/22/30/49/336223049.db2.gz QUXDPHBMJOOIDC-UHFFFAOYSA-N 0 0 301.346 3.049 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000580349281 336259162 /nfs/dbraw/zinc/25/91/62/336259162.db2.gz YNVOGOVJRWBMGL-UHFFFAOYSA-N 0 0 315.377 3.276 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000563938555 336387416 /nfs/dbraw/zinc/38/74/16/336387416.db2.gz NFOWUKIAMYVACH-RYRKJORJSA-N 0 0 318.392 3.000 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000357377223 336583026 /nfs/dbraw/zinc/58/30/26/336583026.db2.gz PJCDVGMVVWOFSH-WOSRLPQWSA-N 0 0 320.458 3.158 10 30 DGEERN N#CC1(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CCCC1 ZINC000025915731 337043565 /nfs/dbraw/zinc/04/35/65/337043565.db2.gz RUPLERWCFOUINQ-UHFFFAOYSA-N 0 0 311.360 3.276 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000514669848 337152279 /nfs/dbraw/zinc/15/22/79/337152279.db2.gz VRARWBLNMJYJAL-INWMFGNUSA-N 0 0 318.392 3.046 10 30 DGEERN CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177380504 337155687 /nfs/dbraw/zinc/15/56/87/337155687.db2.gz PXDWTWKBHAFUMD-GJZGRUSLSA-N 0 0 321.469 3.409 10 30 DGEERN C/C(=C/c1ccccc1)CN(C)S(=O)(=O)CC1(C#N)CCC1 ZINC000583111922 337238392 /nfs/dbraw/zinc/23/83/92/337238392.db2.gz MNAIYBQDCLHYNR-PTNGSMBKSA-N 0 0 318.442 3.045 10 30 DGEERN C=CCn1c(N2CCc3cccc(F)c3C2)nnc1C(C)(C)C ZINC000583111933 337238399 /nfs/dbraw/zinc/23/83/99/337238399.db2.gz HADNTRRBNMCNJV-UHFFFAOYSA-N 0 0 314.408 3.463 10 30 DGEERN C=CCCCCCNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000584419248 337323322 /nfs/dbraw/zinc/32/33/22/337323322.db2.gz AHKHFOFUEPXFIN-HOTGVXAUSA-N 0 0 306.450 3.476 10 30 DGEERN Cc1cn2cc(C#N)nc(CCC(F)(F)C(F)(F)F)c2n1 ZINC000584605472 337371605 /nfs/dbraw/zinc/37/16/05/337371605.db2.gz PMSYUQLIKNGGPL-UHFFFAOYSA-N 0 0 304.222 3.040 10 30 DGEERN Cc1ccc(S(=O)(=O)n2ccc3c2c(C#N)ccc3F)cc1 ZINC000584619217 337373281 /nfs/dbraw/zinc/37/32/81/337373281.db2.gz IBBMFMADBGXKAB-UHFFFAOYSA-N 0 0 314.341 3.198 10 30 DGEERN Clc1ncc(Br)c(N=NCc2ccccc2)n1 ZINC000584624689 337375382 /nfs/dbraw/zinc/37/53/82/337375382.db2.gz GVYBKQHGKYVBDW-GIDUJCDVSA-N 0 0 311.570 3.339 10 30 DGEERN COC(C(=O)/C=C/C1=C(C)CC[C@@H](C)C1(C)C)(N(C)C)N(C)C ZINC000584659238 337378211 /nfs/dbraw/zinc/37/82/11/337378211.db2.gz RSVAWGIPLGDVQP-RDRICISKSA-N 0 0 322.493 3.308 10 30 DGEERN C=C(I)CCOc1ccc2c(c1)OCO2 ZINC000584637092 337379355 /nfs/dbraw/zinc/37/93/55/337379355.db2.gz UXLJQWGAMSSHDP-UHFFFAOYSA-N 0 0 318.110 3.133 10 30 DGEERN O=C(OF)C1=C(F)OC(F)(F)c2c(F)c(F)c(F)c(F)c21 ZINC000584647269 337380335 /nfs/dbraw/zinc/38/03/35/337380335.db2.gz AKYPXRZCXYFUFA-UHFFFAOYSA-N 0 0 320.091 3.388 10 30 DGEERN N#Cc1cc(NCc2ccc3c(c2)OCCO3)cc(F)c1F ZINC000584652616 337381104 /nfs/dbraw/zinc/38/11/04/337381104.db2.gz GKOXJUBSFLPAHL-UHFFFAOYSA-N 0 0 302.280 3.220 10 30 DGEERN C=CCC1(C(=O)NCC(F)(F)c2ccccc2)CCOCC1 ZINC000424788917 337414644 /nfs/dbraw/zinc/41/46/44/337414644.db2.gz HQNCTAJQQIETKS-UHFFFAOYSA-N 0 0 309.356 3.268 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@]1(C)Br ZINC000527783851 337763900 /nfs/dbraw/zinc/76/39/00/337763900.db2.gz WWUXFWDAZWLSRK-YPMHNXCESA-N 0 0 314.248 3.436 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)Cn1ccc(C(F)F)n1 ZINC000528270231 337799265 /nfs/dbraw/zinc/79/92/65/337799265.db2.gz BKODMCUKDDDESC-UHFFFAOYSA-N 0 0 319.355 3.078 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528285471 337799752 /nfs/dbraw/zinc/79/97/52/337799752.db2.gz ZHCMHXLKHCGCEY-CVYDXHPNSA-N 0 0 316.445 3.239 10 30 DGEERN C[C@H](CC(=O)N[C@@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000121079363 337885569 /nfs/dbraw/zinc/88/55/69/337885569.db2.gz BHIHJZOQKDTSMY-YGRLFVJLSA-N 0 0 321.218 3.361 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000575002236 338532749 /nfs/dbraw/zinc/53/27/49/338532749.db2.gz APHYNLCWPLTYOI-KRWDZBQOSA-N 0 0 314.429 3.117 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1cc(C)cc(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000501016935 340072344 /nfs/dbraw/zinc/07/23/44/340072344.db2.gz WHYCZUPFWQSHMY-MRXNPFEDSA-N 0 0 318.323 3.421 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC(=O)OC(C)(C)C ZINC000505000633 340158246 /nfs/dbraw/zinc/15/82/46/340158246.db2.gz HXYGKDBJUHUYNZ-UHFFFAOYSA-N 0 0 304.390 3.268 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000505057446 340160230 /nfs/dbraw/zinc/16/02/30/340160230.db2.gz IRXMZYFRCSMWIB-HNNXBMFYSA-N 0 0 310.401 3.207 10 30 DGEERN CC(C)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506604577 340197573 /nfs/dbraw/zinc/19/75/73/340197573.db2.gz XZDHZAVPDXLUNH-GOSISDBHSA-N 0 0 322.449 3.143 10 30 DGEERN C=CCn1c(N(C)Cc2cccc(OC)c2)nnc1C(C)(C)C ZINC000508840866 340254111 /nfs/dbraw/zinc/25/41/11/340254111.db2.gz NMTRQBLLIVGCFC-UHFFFAOYSA-N 0 0 314.433 3.407 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000508892279 340255334 /nfs/dbraw/zinc/25/53/34/340255334.db2.gz CFNBPYOAEQILPD-HZPDHXFCSA-N 0 0 323.444 3.461 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000510293114 340295265 /nfs/dbraw/zinc/29/52/65/340295265.db2.gz ZITFPYBODIOPLJ-KRWDZBQOSA-N 0 0 305.422 3.349 10 30 DGEERN C=C(CNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000512674160 340372416 /nfs/dbraw/zinc/37/24/16/340372416.db2.gz VFCZCPZHQMJMEQ-ROUUACIJSA-N 0 0 314.429 3.158 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173921134 340377963 /nfs/dbraw/zinc/37/79/63/340377963.db2.gz CBKZYACWKIHTRW-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN Cc1cc(CCC(=O)N[C@@H](C#N)C2CC2)ccc1Br ZINC000176035286 340424602 /nfs/dbraw/zinc/42/46/02/340424602.db2.gz OGEISRSQHPIQTL-AWEZNQCLSA-N 0 0 321.218 3.109 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000183312154 340487434 /nfs/dbraw/zinc/48/74/34/340487434.db2.gz VSRIYQRIEAZBCJ-KZNAEPCWSA-N 0 0 316.445 3.024 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000185263145 340499423 /nfs/dbraw/zinc/49/94/23/340499423.db2.gz KAICLSCQBZUBNC-INIZCTEOSA-N 0 0 301.430 3.453 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(CSCC)on1 ZINC000185356562 340500290 /nfs/dbraw/zinc/50/02/90/340500290.db2.gz NMFXGCNMFDESOJ-UHFFFAOYSA-N 0 0 308.325 3.118 10 30 DGEERN C=CCCS(=O)(=O)N(C)c1ccc(C)c(Br)c1 ZINC000186019817 340507445 /nfs/dbraw/zinc/50/74/45/340507445.db2.gz PZIWYZUTNFLNGQ-UHFFFAOYSA-N 0 0 318.236 3.100 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000186052779 340507722 /nfs/dbraw/zinc/50/77/22/340507722.db2.gz OOHMPIRUGYWMHS-WMZOPIPTSA-N 0 0 301.430 3.449 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000187459439 340520371 /nfs/dbraw/zinc/52/03/71/340520371.db2.gz SKDFSFPOBGGBNN-IAGOWNOFSA-N 0 0 315.413 3.148 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000303766909 340641058 /nfs/dbraw/zinc/64/10/58/340641058.db2.gz ISOFNECUKHZKOL-UHFFFAOYSA-N 0 0 323.336 3.172 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528985793 340741780 /nfs/dbraw/zinc/74/17/80/340741780.db2.gz WYRBHBZQMLKIGQ-HNNXBMFYSA-N 0 0 305.418 3.430 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000529247204 340750142 /nfs/dbraw/zinc/75/01/42/340750142.db2.gz SBQRGRUHUPNTQD-YGRLFVJLSA-N 0 0 313.319 3.474 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000530037599 340778115 /nfs/dbraw/zinc/77/81/15/340778115.db2.gz KGGGGWSYSYKAOJ-YJBOKZPZSA-N 0 0 305.393 3.247 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000125369687 340803754 /nfs/dbraw/zinc/80/37/54/340803754.db2.gz FLWSQGZMUWAMPE-OAHLLOKOSA-N 0 0 307.434 3.478 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000540386267 340928955 /nfs/dbraw/zinc/92/89/55/340928955.db2.gz NXGOIZXPGVHIQQ-RYQLBKOJSA-N 0 0 316.445 3.197 10 30 DGEERN CC(C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000542831049 341022557 /nfs/dbraw/zinc/02/25/57/341022557.db2.gz ZXLPDPKVUFLSKB-QWRGUYRKSA-N 0 0 312.291 3.107 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)NCCCC#N)cc2)cs1 ZINC000543179160 341035398 /nfs/dbraw/zinc/03/53/98/341035398.db2.gz KLBYUONIGIBVFW-UHFFFAOYSA-N 0 0 314.414 3.222 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)NC[C@@H](C)C#N)cc2)cs1 ZINC000543805417 341059734 /nfs/dbraw/zinc/05/97/34/341059734.db2.gz IDXDJXZDGWBDDK-NSHDSACASA-N 0 0 314.414 3.077 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000544179724 341073087 /nfs/dbraw/zinc/07/30/87/341073087.db2.gz ZOPQNUJEUGUBMU-QWHCGFSZSA-N 0 0 323.387 3.197 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc2c1CCN2C(C)=O ZINC000545269079 341118337 /nfs/dbraw/zinc/11/83/37/341118337.db2.gz XKEMPXOCIRGZET-UHFFFAOYSA-N 0 0 301.390 3.026 10 30 DGEERN C=CCOc1ccc(CNc2cc(CC#N)ccn2)cc1OC ZINC000546633967 341176387 /nfs/dbraw/zinc/17/63/87/341176387.db2.gz BQNHQTAQMNKZGM-UHFFFAOYSA-N 0 0 309.369 3.333 10 30 DGEERN CCO[C@@H](C)c1nc(CN(C)C[C@H](C#N)CCC#N)cs1 ZINC000075888103 341188289 /nfs/dbraw/zinc/18/82/89/341188289.db2.gz QGEDSBPPKFFDLA-STQMWFEESA-N 0 0 306.435 3.116 10 30 DGEERN C#C[C@H](OC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000134022283 341204779 /nfs/dbraw/zinc/20/47/79/341204779.db2.gz ALNWGFCTYUWZJJ-KKUMJFAQSA-N 0 0 321.417 3.025 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000547356261 341208449 /nfs/dbraw/zinc/20/84/49/341208449.db2.gz UBNBNRPKPLLSBI-FZMZJTMJSA-N 0 0 315.335 3.457 10 30 DGEERN C=CCOc1ccc(C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1 ZINC000134557093 341218249 /nfs/dbraw/zinc/21/82/49/341218249.db2.gz RWHKGGCABOFURM-CRAIPNDOSA-N 0 0 317.429 3.313 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000134977420 341227719 /nfs/dbraw/zinc/22/77/19/341227719.db2.gz AUQURHORPWHAGL-HXUWFJFHSA-N 0 0 324.424 3.115 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000547964922 341240986 /nfs/dbraw/zinc/24/09/86/341240986.db2.gz CUHCKNPXZRQSFS-UHFFFAOYSA-N 0 0 304.415 3.130 10 30 DGEERN NC(=O)c1ccc(Cl)cc1NCC#Cc1ccc(F)cc1 ZINC000135553372 341241746 /nfs/dbraw/zinc/24/17/46/341241746.db2.gz UTNXBPVTSZIVSB-UHFFFAOYSA-N 0 0 302.736 3.042 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1cncc(C(=O)OC)c1 ZINC000548838470 341277432 /nfs/dbraw/zinc/27/74/32/341277432.db2.gz IVUORXSINRLFCM-UHFFFAOYSA-N 0 0 310.353 3.239 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000548878937 341279327 /nfs/dbraw/zinc/27/93/27/341279327.db2.gz PNFQDEICCDJGOB-GOEBONIOSA-N 0 0 302.418 3.430 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CC2(CCCC2)OC(C)(C)C1 ZINC000549669206 341300241 /nfs/dbraw/zinc/30/02/41/341300241.db2.gz GAYAPAVMCSFBOB-UHFFFAOYSA-N 0 0 318.465 3.345 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000549676173 341300318 /nfs/dbraw/zinc/30/03/18/341300318.db2.gz YXUXXLQNKOXGHU-CVEARBPZSA-N 0 0 320.481 3.447 10 30 DGEERN C=CCCCN(C)c1nnc(C2CCCC2)n1C[C@H]1CCOC1 ZINC000550049466 341309088 /nfs/dbraw/zinc/30/90/88/341309088.db2.gz QZKWUXAYEGSVQR-OAHLLOKOSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c(SCC(=O)[C@@H](C)CC)nnc1-c1ccncc1 ZINC000089662455 341406701 /nfs/dbraw/zinc/40/67/01/341406701.db2.gz HGPUZMVKUOBPDB-LBPRGKRZSA-N 0 0 316.430 3.233 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)C[C@H](C)CC ZINC000566222181 341551204 /nfs/dbraw/zinc/55/12/04/341551204.db2.gz ZKUMTCACWQAWSV-LLVKDONJSA-N 0 0 305.451 3.378 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000566429428 341557887 /nfs/dbraw/zinc/55/78/87/341557887.db2.gz SEASINKRILZHKQ-UHFFFAOYSA-N 0 0 315.417 3.464 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1C ZINC000567893483 341639186 /nfs/dbraw/zinc/63/91/86/341639186.db2.gz HSRSHSZCWVOOAW-HOCLYGCPSA-N 0 0 302.418 3.120 10 30 DGEERN C=CCCCCS(=O)(=O)Cc1cccc(-n2cccn2)c1 ZINC000572731523 341702352 /nfs/dbraw/zinc/70/23/52/341702352.db2.gz LFELFCJQLSXYFZ-UHFFFAOYSA-N 0 0 304.415 3.143 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000177142644 341916708 /nfs/dbraw/zinc/91/67/08/341916708.db2.gz BRFMFZLNMLFWRK-KGLIPLIRSA-N 0 0 315.417 3.255 10 30 DGEERN C=CCC1(C(=O)N2CCC=C(c3cccnc3)C2)CCOCC1 ZINC000577864524 341944637 /nfs/dbraw/zinc/94/46/37/341944637.db2.gz NRJQKYYEFVKFSU-UHFFFAOYSA-N 0 0 312.413 3.070 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)NC[C@@](C)(O)CCC(C)C ZINC000178551379 533732855 /nfs/dbraw/zinc/73/28/55/533732855.db2.gz HIZPJPIORZROSJ-KRWDZBQOSA-N 0 0 303.406 3.175 10 30 DGEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)cnn1-c1ccccc1C ZINC000436010204 533822377 /nfs/dbraw/zinc/82/23/77/533822377.db2.gz XCHJFDKQJMOKRN-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)c(SC)cc1OC ZINC000086506747 533896696 /nfs/dbraw/zinc/89/66/96/533896696.db2.gz PICMAKMHPFIHNI-DGCLKSJQSA-N 0 0 306.431 3.208 10 30 DGEERN C[C@@H](Sc1nnnn1-c1ccccc1)c1cccc(C#N)c1 ZINC000189771246 534030716 /nfs/dbraw/zinc/03/07/16/534030716.db2.gz DXCOZXJDINRCMO-GFCCVEGCSA-N 0 0 307.382 3.387 10 30 DGEERN COc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(C)n1 ZINC000181559917 534170845 /nfs/dbraw/zinc/17/08/45/534170845.db2.gz VWLQCRJGCCPCRN-UHFFFAOYSA-N 0 0 307.353 3.206 10 30 DGEERN C=CC[C@H](C(=O)NCCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000489619386 534324805 /nfs/dbraw/zinc/32/48/05/534324805.db2.gz PNBKMFBFDKAONL-SFHVURJKSA-N 0 0 321.424 3.373 10 30 DGEERN [O-]C(=[NH+]c1scnc1C1CC1)N1CCC[C@H](n2cccn2)C1 ZINC000328951862 534334863 /nfs/dbraw/zinc/33/48/63/534334863.db2.gz XKABJXJGLLBOMO-LBPRGKRZSA-N 0 0 317.418 3.100 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CC(C)(OCC)C1)c1ccc(F)c(F)c1 ZINC000458688051 534336813 /nfs/dbraw/zinc/33/68/13/534336813.db2.gz YXRCUIRNTZMIDV-HNNXBMFYSA-N 0 0 324.371 3.402 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCOc1ccccc1C ZINC000469011784 534353893 /nfs/dbraw/zinc/35/38/93/534353893.db2.gz RDSGPPZRMBMDNQ-SJLPKXTDSA-N 0 0 317.429 3.204 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CCC)Cc1ccccc1 ZINC000469176457 534359923 /nfs/dbraw/zinc/35/99/23/534359923.db2.gz PGJCUWSPSIIZEO-KZNAEPCWSA-N 0 0 301.430 3.495 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000469815442 534360057 /nfs/dbraw/zinc/36/00/57/534360057.db2.gz FEBVBCIAXNBHRF-INDMIFKZSA-N 0 0 313.441 3.495 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455640746 534373348 /nfs/dbraw/zinc/37/33/48/534373348.db2.gz QZVAQSNWNLAUDN-IUCAKERBSA-N 0 0 307.341 3.400 10 30 DGEERN C=C(CNC(=O)N1CCOC[C@@H]1CC1CCC1)c1ccccc1 ZINC000458748914 534430522 /nfs/dbraw/zinc/43/05/22/534430522.db2.gz CXSPKKOBEJJKIP-SFHVURJKSA-N 0 0 314.429 3.300 10 30 DGEERN C=CCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(C)CCCO1 ZINC000453441327 534441577 /nfs/dbraw/zinc/44/15/77/534441577.db2.gz OCCDKFVTYUGQMJ-YJBOKZPZSA-N 0 0 318.465 3.362 10 30 DGEERN Cc1ccsc1CCNC(=O)NCC1CCC(C#N)CC1 ZINC000441029113 534466321 /nfs/dbraw/zinc/46/63/21/534466321.db2.gz DYPJXFKQBDSEDD-UHFFFAOYSA-N 0 0 305.447 3.228 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1cc(-c2ccsc2)nn1C ZINC000455296935 534515622 /nfs/dbraw/zinc/51/56/22/534515622.db2.gz UCVYYNIOCSIIHB-UHFFFAOYSA-N 0 0 304.419 3.482 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2OC)CC1 ZINC000466058204 534524076 /nfs/dbraw/zinc/52/40/76/534524076.db2.gz ZXCWJOFSIQPXHC-MJGOQNOKSA-N 0 0 314.429 3.333 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000488867088 534545592 /nfs/dbraw/zinc/54/55/92/534545592.db2.gz MRJGQRRYHBMWMY-MRXNPFEDSA-N 0 0 303.450 3.266 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000488302558 534552119 /nfs/dbraw/zinc/55/21/19/534552119.db2.gz SVNGPQTWNJPBLS-GFCCVEGCSA-N 0 0 320.389 3.285 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000488859105 534554456 /nfs/dbraw/zinc/55/44/56/534554456.db2.gz PKRNUODDFRKVDB-KBRIMQKVSA-N 0 0 312.413 3.462 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000455417038 534566413 /nfs/dbraw/zinc/56/64/13/534566413.db2.gz IOQYMDBJHWILLP-LOWDOPEQSA-N 0 0 320.355 3.092 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000456260487 534571358 /nfs/dbraw/zinc/57/13/58/534571358.db2.gz IFAQKBIYBCEJAY-KSZLIROESA-N 0 0 315.413 3.044 10 30 DGEERN N#CC1CCC(CNC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000442728151 534578363 /nfs/dbraw/zinc/57/83/63/534578363.db2.gz IDQXGWDERXKPOC-UHFFFAOYSA-N 0 0 312.417 3.086 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCCC)Cc1ccccc1F ZINC000455411348 534597722 /nfs/dbraw/zinc/59/77/22/534597722.db2.gz MYCHGSFFMNEBMF-SJORKVTESA-N 0 0 320.408 3.481 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000459021158 534597804 /nfs/dbraw/zinc/59/78/04/534597804.db2.gz JINSDXMITWEHDD-NDBYEHHHSA-N 0 0 320.355 3.092 10 30 DGEERN C=CCC1(CNC(=O)N2CCC(c3ncc[nH]3)CC2)CCCC1 ZINC000455480213 534599859 /nfs/dbraw/zinc/59/98/59/534599859.db2.gz PILIHBAYLWHXAH-UHFFFAOYSA-N 0 0 316.449 3.435 10 30 DGEERN C=CCCCCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000471691667 534687751 /nfs/dbraw/zinc/68/77/51/534687751.db2.gz HAXGQMUGDZJTQF-KRWDZBQOSA-N 0 0 300.402 3.434 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)COc1ccc(C(=O)CC)cc1 ZINC000488836833 534689024 /nfs/dbraw/zinc/68/90/24/534689024.db2.gz BMPBRBXFSWNBDS-HNNXBMFYSA-N 0 0 301.386 3.225 10 30 DGEERN N#CCSCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000192521761 534705653 /nfs/dbraw/zinc/70/56/53/534705653.db2.gz GJPIZDZCJSXVCC-UHFFFAOYSA-N 0 0 322.393 3.425 10 30 DGEERN N#CCc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000187294591 534729914 /nfs/dbraw/zinc/72/99/14/534729914.db2.gz MCBNIYAGFMXTFB-UHFFFAOYSA-N 0 0 302.377 3.440 10 30 DGEERN C=CCCCNC(=O)c1cc(C)cc(C(=O)NCCCC=C)c1 ZINC000487499978 534731151 /nfs/dbraw/zinc/73/11/51/534731151.db2.gz MUJXUMSBBYOUCT-UHFFFAOYSA-N 0 0 314.429 3.387 10 30 DGEERN C=CCCCS(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000452041989 534741569 /nfs/dbraw/zinc/74/15/69/534741569.db2.gz NEJLUPLREAVAHK-OAHLLOKOSA-N 0 0 315.385 3.398 10 30 DGEERN CN(C(=O)c1cc(C#N)cn1C)c1c(Cl)cccc1Cl ZINC000156432455 523917502 /nfs/dbraw/zinc/91/75/02/523917502.db2.gz FQMXLQCLKHBZFP-UHFFFAOYSA-N 0 0 308.168 3.480 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489601725 534758981 /nfs/dbraw/zinc/75/89/81/534758981.db2.gz CTKIVTJXLGCPIG-ZDUSSCGKSA-N 0 0 313.401 3.405 10 30 DGEERN Cn1nc2c(c1CNC(=O)C[C@@H]1CCCCC(=O)N1)CCCC2 ZINC000329628564 534827083 /nfs/dbraw/zinc/82/70/83/534827083.db2.gz PYQNVGROYXDUGX-LBPRGKRZSA-N 0 0 318.421 3.045 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H](C)F ZINC000458879394 534840171 /nfs/dbraw/zinc/84/01/71/534840171.db2.gz JUQUJFUONXELGB-LBPRGKRZSA-N 0 0 309.341 3.041 10 30 DGEERN O=S(=O)(/C=C/c1ccc(F)cc1)OCC(F)(F)C(F)F ZINC000175182414 534855575 /nfs/dbraw/zinc/85/55/75/534855575.db2.gz OOVUAEFFAPFZKV-AATRIKPKSA-N 0 0 316.247 3.043 10 30 DGEERN Cc1ccc([C@@H]2CN(Cc3cc(F)ccc3C#N)CCO2)o1 ZINC000159040406 525836952 /nfs/dbraw/zinc/83/69/52/525836952.db2.gz DRUUWVITSMAHCI-KRWDZBQOSA-N 0 0 300.333 3.172 10 30 DGEERN C=CCN(CCOC)C(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000361074736 526293419 /nfs/dbraw/zinc/29/34/19/526293419.db2.gz DAJUYCRWHAWISH-INIZCTEOSA-N 0 0 307.459 3.464 10 30 DGEERN CC#CCCCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000186102215 526295637 /nfs/dbraw/zinc/29/56/37/526295637.db2.gz VJTWZSWYDBWIGZ-UHFFFAOYSA-N 0 0 321.367 3.280 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1ccc2c(n1)CCCC2 ZINC000352599308 526323013 /nfs/dbraw/zinc/32/30/13/526323013.db2.gz YKZVMUOTKWKFDD-UHFFFAOYSA-N 0 0 310.397 3.424 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cccc(OC)c1F ZINC000352591838 526323580 /nfs/dbraw/zinc/32/35/80/526323580.db2.gz WDFWVFKLTNUCGG-UHFFFAOYSA-N 0 0 303.333 3.298 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000444133289 526348682 /nfs/dbraw/zinc/34/86/82/526348682.db2.gz 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526687141 /nfs/dbraw/zinc/68/71/41/526687141.db2.gz NZKYVJLJQUZJGO-SNVBAGLBSA-N 0 0 323.336 3.142 10 30 DGEERN C#CCCCCN1C(=O)[C@@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000370264425 526691921 /nfs/dbraw/zinc/69/19/21/526691921.db2.gz ATNIBBVVENGVGT-CVEARBPZSA-N 0 0 302.418 3.023 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186420279 526693564 /nfs/dbraw/zinc/69/35/64/526693564.db2.gz QWMAKKCNTAQSIH-CYBMUJFWSA-N 0 0 323.383 3.377 10 30 DGEERN C#CCCCCNC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000154958581 526696670 /nfs/dbraw/zinc/69/66/70/526696670.db2.gz KQIWUHVUHUUGLR-UHFFFAOYSA-N 0 0 317.408 3.215 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000154872820 526697398 /nfs/dbraw/zinc/69/73/98/526697398.db2.gz FVMYAZSLZJHRQL-AWEZNQCLSA-N 0 0 305.447 3.144 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000177232195 526698558 /nfs/dbraw/zinc/69/85/58/526698558.db2.gz HQBUIRGDNFJIDG-QGZVFWFLSA-N 0 0 302.393 3.346 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)COc1ccccc1OC 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C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282734923 526708342 /nfs/dbraw/zinc/70/83/42/526708342.db2.gz SVGBSPXONAFRGC-AWEZNQCLSA-N 0 0 320.408 3.085 10 30 DGEERN C#CCCCNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000370012839 526711102 /nfs/dbraw/zinc/71/11/02/526711102.db2.gz VUMWJZDTLQZEAV-GFCCVEGCSA-N 0 0 302.340 3.164 10 30 DGEERN C#CCCCNC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000370012840 526711149 /nfs/dbraw/zinc/71/11/49/526711149.db2.gz VUMWJZDTLQZEAV-LBPRGKRZSA-N 0 0 302.340 3.164 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000185697123 526711234 /nfs/dbraw/zinc/71/12/34/526711234.db2.gz JBWKPRJRHPBQRD-AWEZNQCLSA-N 0 0 315.392 3.272 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000362297179 526712077 /nfs/dbraw/zinc/71/20/77/526712077.db2.gz MAZBLPUMPHKTTD-ZDUSSCGKSA-N 0 0 321.417 3.321 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000185475736 526712257 /nfs/dbraw/zinc/71/22/57/526712257.db2.gz WYATVZIPONIMIK-INIZCTEOSA-N 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PYKVJLPXLNOHPS-INIZCTEOSA-N 0 0 323.348 3.283 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172474382 526916556 /nfs/dbraw/zinc/91/65/56/526916556.db2.gz JKXMVZZCUCNDOW-QZTJIDSGSA-N 0 0 324.380 3.031 10 30 DGEERN C=CCOc1cccc(NC(=O)c2c[nH]cc2-c2cnn(C)c2)c1 ZINC000426644811 526919679 /nfs/dbraw/zinc/91/96/79/526919679.db2.gz XVORBPIISUXLCZ-UHFFFAOYSA-N 0 0 322.368 3.232 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1cnc(CC2CC2)nc1 ZINC000341839105 526928739 /nfs/dbraw/zinc/92/87/39/526928739.db2.gz MBZPXEKZJYMGDS-UHFFFAOYSA-N 0 0 309.369 3.246 10 30 DGEERN C=CCOc1ccccc1CNCc1nccc(C(F)F)n1 ZINC000342251395 526949963 /nfs/dbraw/zinc/94/99/63/526949963.db2.gz ROPFEPKQIIAFBE-UHFFFAOYSA-N 0 0 305.328 3.269 10 30 DGEERN C=CCOc1ccccc1CNc1cc(-c2nncn2C)ccn1 ZINC000342819404 526952745 /nfs/dbraw/zinc/95/27/45/526952745.db2.gz BKCDKQVEQZKTOS-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN C=CCOc1cccnc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000341422757 526953057 /nfs/dbraw/zinc/95/30/57/526953057.db2.gz SPGCHDIAGKYUAV-UHFFFAOYSA-N 0 0 314.360 3.100 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000341422088 526967315 /nfs/dbraw/zinc/96/73/15/526967315.db2.gz RHKXJJCTUZKQTK-LLVKDONJSA-N 0 0 318.323 3.416 10 30 DGEERN C=CCSCCNC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000176026560 526986544 /nfs/dbraw/zinc/98/65/44/526986544.db2.gz UOZUVGJRHDQHDZ-HNNXBMFYSA-N 0 0 312.479 3.039 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000353156854 526987578 /nfs/dbraw/zinc/98/75/78/526987578.db2.gz SPSXBFBLYKFBGS-LJQANCHMSA-N 0 0 301.430 3.141 10 30 DGEERN C=CCC(C)(C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000432893668 526994240 /nfs/dbraw/zinc/99/42/40/526994240.db2.gz NNNMNRLCMPIBAZ-UHFFFAOYSA-N 0 0 324.424 3.115 10 30 DGEERN C=CCC(C)(C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000351840279 526996918 /nfs/dbraw/zinc/99/69/18/526996918.db2.gz YGJBSZGJBMQEMH-UHFFFAOYSA-N 0 0 304.390 3.114 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344611030 527028140 /nfs/dbraw/zinc/02/81/40/527028140.db2.gz ZSCUUVTWFNQVJV-SNVBAGLBSA-N 0 0 301.346 3.041 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000341443481 527047753 /nfs/dbraw/zinc/04/77/53/527047753.db2.gz XBHGFRGWSAHPPW-ZIAGYGMSSA-N 0 0 312.479 3.085 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CCOCC1 ZINC000424802018 527053920 /nfs/dbraw/zinc/05/39/20/527053920.db2.gz KLNFHNATAISHES-INIZCTEOSA-N 0 0 321.461 3.357 10 30 DGEERN C=CCC1(C(=O)NCc2ccccc2COCC)CCOCC1 ZINC000424588237 527055974 /nfs/dbraw/zinc/05/59/74/527055974.db2.gz XKIKLUOKRPNJHR-UHFFFAOYSA-N 0 0 317.429 3.212 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCOCC1 ZINC000424552503 527056564 /nfs/dbraw/zinc/05/65/64/527056564.db2.gz BHXNOIJRWBNJAF-ZDUSSCGKSA-N 0 0 313.401 3.113 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CCC1 ZINC000190662806 527059692 /nfs/dbraw/zinc/05/96/92/527059692.db2.gz NEHPILVKJGTJRB-CYBMUJFWSA-N 0 0 301.386 3.381 10 30 DGEERN C=CCC1(c2nc(-c3ccc4c(c3)OCO4)no2)CCOCC1 ZINC000424227752 527065378 /nfs/dbraw/zinc/06/53/78/527065378.db2.gz ZXECWRHGOXMEHK-UHFFFAOYSA-N 0 0 314.341 3.090 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000342208890 527071079 /nfs/dbraw/zinc/07/10/79/527071079.db2.gz MEJQTAVEWVYHEN-ZBFHGGJFSA-N 0 0 307.459 3.104 10 30 DGEERN C=CCCC(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000342575018 527077455 /nfs/dbraw/zinc/07/74/55/527077455.db2.gz VIYPPXZRHSLRBS-UHFFFAOYSA-N 0 0 311.223 3.415 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000185791904 527093078 /nfs/dbraw/zinc/09/30/78/527093078.db2.gz RQYVSJKBRFCWRD-XJKSGUPXSA-N 0 0 302.418 3.035 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188104018 527098678 /nfs/dbraw/zinc/09/86/78/527098678.db2.gz RNVQYEOEHUJRQL-NSHDSACASA-N 0 0 307.699 3.026 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000185875250 527099155 /nfs/dbraw/zinc/09/91/55/527099155.db2.gz YFXWCDBGLDHTHK-HNNXBMFYSA-N 0 0 303.402 3.065 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(SC)c(Cl)cc1Cl ZINC000185844889 527099501 /nfs/dbraw/zinc/09/95/01/527099501.db2.gz RMYRQLMDZWEUOS-QMMMGPOBSA-N 0 0 320.241 3.382 10 30 DGEERN C=CCCCC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000365822409 527106766 /nfs/dbraw/zinc/10/67/66/527106766.db2.gz CWNBOARXVTXNME-UHFFFAOYSA-N 0 0 314.385 3.365 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCS[C@H](C)C1 ZINC000413825980 527108281 /nfs/dbraw/zinc/10/82/81/527108281.db2.gz PWZPHMCJHISYKN-ZBFHGGJFSA-N 0 0 304.459 3.321 10 30 DGEERN C=CCCCC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000429587406 527111092 /nfs/dbraw/zinc/11/10/92/527111092.db2.gz ALUVYJIYXSULSK-CYBMUJFWSA-N 0 0 303.328 3.113 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(C)c1SC ZINC000412838182 527111905 /nfs/dbraw/zinc/11/19/05/527111905.db2.gz JKMCNXQHEPXKMD-AWEZNQCLSA-N 0 0 315.442 3.059 10 30 DGEERN C#CCOc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911320 527115410 /nfs/dbraw/zinc/11/54/10/527115410.db2.gz XYAWVDBJIHGCPU-GJZGRUSLSA-N 0 0 324.428 3.038 10 30 DGEERN C=CC[C@@H]1N(C(=O)NCCCCC(=O)OC)CCCC1(C)C ZINC000444984462 527116612 /nfs/dbraw/zinc/11/66/12/527116612.db2.gz DPAGOTZWHGUVHW-AWEZNQCLSA-N 0 0 310.438 3.106 10 30 DGEERN C=CC[C@@H]1N(S(=O)(=O)CC2(C#N)CCCC2)CCCC1(C)C ZINC000443965824 527118715 /nfs/dbraw/zinc/11/87/15/527118715.db2.gz KTLXDQUYSGIOST-HNNXBMFYSA-N 0 0 324.490 3.467 10 30 DGEERN C=CC[C@H](C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000190245039 527121877 /nfs/dbraw/zinc/12/18/77/527121877.db2.gz XGNXNPMGOUGPOC-OALUTQOASA-N 0 0 309.409 3.066 10 30 DGEERN C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000348875551 527124268 /nfs/dbraw/zinc/12/42/68/527124268.db2.gz KVYAXXGESIXKNF-QMMMGPOBSA-N 0 0 316.735 3.297 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000284096744 527155479 /nfs/dbraw/zinc/15/54/79/527155479.db2.gz FTLXKALLRJFINK-INIZCTEOSA-N 0 0 312.417 3.085 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000341443480 527156988 /nfs/dbraw/zinc/15/69/88/527156988.db2.gz XBHGFRGWSAHPPW-UONOGXRCSA-N 0 0 312.479 3.085 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CC1 ZINC000292591246 527161511 /nfs/dbraw/zinc/16/15/11/527161511.db2.gz BEZULPOBRGWIBV-HNNXBMFYSA-N 0 0 317.396 3.208 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccn(C(C)C)n1 ZINC000287167972 527161560 /nfs/dbraw/zinc/16/15/60/527161560.db2.gz MVDWTHMETQFVGV-INIZCTEOSA-N 0 0 310.401 3.220 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](OC)c1ccccc1 ZINC000287164274 527161730 /nfs/dbraw/zinc/16/17/30/527161730.db2.gz GRZPLKWVENQTET-RBUKOAKNSA-N 0 0 307.393 3.125 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130572902 527180031 /nfs/dbraw/zinc/18/00/31/527180031.db2.gz DKXDDVCWVJRCTK-UHFFFAOYSA-N 0 0 315.200 3.357 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000432155971 527181697 /nfs/dbraw/zinc/18/16/97/527181697.db2.gz MOSBBTGKKHSARJ-QMMMGPOBSA-N 0 0 306.164 3.047 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000434929367 527182050 /nfs/dbraw/zinc/18/20/50/527182050.db2.gz YBKHDQUPAXVQMB-UHFFFAOYSA-N 0 0 323.462 3.095 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1sc(C2CCCC2)nc1C ZINC000342163988 527185595 /nfs/dbraw/zinc/18/55/95/527185595.db2.gz OUNFMZDJYAOMTL-LBPRGKRZSA-N 0 0 308.447 3.024 10 30 DGEERN C=CCCCN(C)C(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC000183345447 527190368 /nfs/dbraw/zinc/19/03/68/527190368.db2.gz BWAAUAJWYFKPPF-UHFFFAOYSA-N 0 0 301.365 3.358 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000185819324 527193236 /nfs/dbraw/zinc/19/32/36/527193236.db2.gz RNJDOSNGOKHEQM-GFCCVEGCSA-N 0 0 316.228 3.369 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000185754642 527194299 /nfs/dbraw/zinc/19/42/99/527194299.db2.gz LTWITJRCZFNLBM-CYBMUJFWSA-N 0 0 317.360 3.072 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000185778831 527194340 /nfs/dbraw/zinc/19/43/40/527194340.db2.gz ZDYZVJDXIBLTKM-SMDDNHRTSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCCCN(C)c1nnc(C(C)C)n1C[C@H]1CCCCO1 ZINC000339155168 527195848 /nfs/dbraw/zinc/19/58/48/527195848.db2.gz IEZXVZMTBXXQDD-OAHLLOKOSA-N 0 0 306.454 3.373 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000185252953 527202478 /nfs/dbraw/zinc/20/24/78/527202478.db2.gz IBIKWSNCIXFXMZ-SECBINFHSA-N 0 0 322.714 3.417 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cn(CCCCC)c2ccccc12 ZINC000410074386 527207998 /nfs/dbraw/zinc/20/79/98/527207998.db2.gz KYRZCWKPIGJAAU-OAHLLOKOSA-N 0 0 314.429 3.498 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000185693900 527208008 /nfs/dbraw/zinc/20/80/08/527208008.db2.gz WYYMVACMHKTRNS-MRXNPFEDSA-N 0 0 316.788 3.069 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000185875267 527208484 /nfs/dbraw/zinc/20/84/84/527208484.db2.gz YFXWCDBGLDHTHK-OAHLLOKOSA-N 0 0 303.402 3.065 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](O)Cc1ccccc1 ZINC000413988469 527214402 /nfs/dbraw/zinc/21/44/02/527214402.db2.gz OZSFFNPRDLEYRP-WOJBJXKFSA-N 0 0 323.436 3.284 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](CO)CC(C)C ZINC000413823727 527214925 /nfs/dbraw/zinc/21/49/25/527214925.db2.gz ARTMHUGGSUKJKF-MSOLQXFVSA-N 0 0 318.461 3.222 10 30 DGEERN C=CCCCNC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000448035772 527220416 /nfs/dbraw/zinc/22/04/16/527220416.db2.gz SGDCVHWUSMLGQI-UHFFFAOYSA-N 0 0 312.417 3.255 10 30 DGEERN CC(=O)c1ccc(C#N)c(NCCCc2nc(C(C)C)no2)c1 ZINC000302094645 527225228 /nfs/dbraw/zinc/22/52/28/527225228.db2.gz ILWVWBATANVXFK-UHFFFAOYSA-N 0 0 312.373 3.312 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ccoc1C(=O)OC ZINC000358459101 527246880 /nfs/dbraw/zinc/24/68/80/527246880.db2.gz RTMUKYDEJKFYQI-UHFFFAOYSA-N 0 0 317.297 3.282 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1COCCO1 ZINC000355593458 527259337 /nfs/dbraw/zinc/25/93/37/527259337.db2.gz CLEMFISRYPVKMF-HNNXBMFYSA-N 0 0 318.417 3.075 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000181414357 527261544 /nfs/dbraw/zinc/26/15/44/527261544.db2.gz SMEZBBPUHTYKOK-ZBFHGGJFSA-N 0 0 304.438 3.110 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1cc[nH]c(=O)c1Br ZINC000346456039 527270561 /nfs/dbraw/zinc/27/05/61/527270561.db2.gz KRLXMSHOEPIWPJ-SECBINFHSA-N 0 0 313.195 3.024 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1C(C)C ZINC000350740671 527282402 /nfs/dbraw/zinc/28/24/02/527282402.db2.gz GDLBMPPTSRONCZ-OAHLLOKOSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000181406378 527286105 /nfs/dbraw/zinc/28/61/05/527286105.db2.gz CONDAXWBYLHXED-HNNXBMFYSA-N 0 0 318.465 3.129 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCCC[C@H](CCOC)C1 ZINC000351111858 527308074 /nfs/dbraw/zinc/30/80/74/527308074.db2.gz FZJJYCDYTIKBMC-OAHLLOKOSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC(C)(C#N)CC1 ZINC000337832477 527315862 /nfs/dbraw/zinc/31/58/62/527315862.db2.gz AKHIEJNMGGICOQ-UHFFFAOYSA-N 0 0 301.438 3.183 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](C)C1 ZINC000337819590 527320232 /nfs/dbraw/zinc/32/02/32/527320232.db2.gz QWGGLRZIZQEUSF-AWEZNQCLSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCc2cc(C)c(C)cc21 ZINC000350729665 527324951 /nfs/dbraw/zinc/32/49/51/527324951.db2.gz MVVGZWTXPZZLHM-UHFFFAOYSA-N 0 0 312.417 3.312 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000348037338 527329325 /nfs/dbraw/zinc/32/93/25/527329325.db2.gz CGYCZHMHIQBKIA-INIZCTEOSA-N 0 0 309.450 3.167 10 30 DGEERN C=CCCOCCCCC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000342971899 527331368 /nfs/dbraw/zinc/33/13/68/527331368.db2.gz CFRYDCCSLQKSMX-INIZCTEOSA-N 0 0 323.458 3.411 10 30 DGEERN C=CCCOCCCCC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000342971900 527332262 /nfs/dbraw/zinc/33/22/62/527332262.db2.gz CFRYDCCSLQKSMX-MRXNPFEDSA-N 0 0 323.458 3.411 10 30 DGEERN C=CCn1c(SCc2ccn(C)n2)nnc1-c1cccs1 ZINC000357071389 527342938 /nfs/dbraw/zinc/34/29/38/527342938.db2.gz HLJBCPHZBKDTPN-UHFFFAOYSA-N 0 0 317.443 3.218 10 30 DGEERN C=CCn1c(Sc2nc(C)nc3[nH]ccc32)nnc1C1CC1 ZINC000433777692 527346520 /nfs/dbraw/zinc/34/65/20/527346520.db2.gz OPWSVWFQENUUIY-UHFFFAOYSA-N 0 0 312.402 3.072 10 30 DGEERN C=CCCOCCNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000130546851 527348225 /nfs/dbraw/zinc/34/82/25/527348225.db2.gz HMKCAJIYHUGQAU-UHFFFAOYSA-N 0 0 318.392 3.217 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C1 ZINC000337838366 527351883 /nfs/dbraw/zinc/35/18/83/527351883.db2.gz DIJCELLVFRYQJN-RRFJBIMHSA-N 0 0 318.465 3.229 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000337772152 527356692 /nfs/dbraw/zinc/35/66/92/527356692.db2.gz DYSBXCNQARYNSP-QAPCUYQASA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCC1 ZINC000337825280 527362285 /nfs/dbraw/zinc/36/22/85/527362285.db2.gz VMCBGZSAJLIQLY-IRXDYDNUSA-N 0 0 324.428 3.310 10 30 DGEERN C=CCCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000346493106 527398410 /nfs/dbraw/zinc/39/84/10/527398410.db2.gz LDEVQOROCIFGAA-OIISXLGYSA-N 0 0 303.402 3.004 10 30 DGEERN C=C[C@@H](CC(=O)N1CCOc2nc(C)ccc21)c1ccccc1 ZINC000180444279 527420841 /nfs/dbraw/zinc/42/08/41/527420841.db2.gz IIGNRZSEPPZOPW-HNNXBMFYSA-N 0 0 308.381 3.475 10 30 DGEERN C=CCCSCCC(=O)NCc1ccc(OC)cc1OC ZINC000419414987 527421104 /nfs/dbraw/zinc/42/11/04/527421104.db2.gz FNENVGXGSMZMLR-UHFFFAOYSA-N 0 0 309.431 3.019 10 30 DGEERN C=CCC[C@@H](C(=O)NCc1nc(CO)cs1)c1ccccc1 ZINC000356413285 527423678 /nfs/dbraw/zinc/42/36/78/527423678.db2.gz FJFVOUXSBGRLKV-OAHLLOKOSA-N 0 0 316.426 3.002 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246883623 527457332 /nfs/dbraw/zinc/45/73/32/527457332.db2.gz RDVZXQZSIKBEMJ-BRWVUGGUSA-N 0 0 310.397 3.137 10 30 DGEERN C=CCC[C@H](C(=O)NCC1(CCO)CCC1)c1ccccc1 ZINC000427759520 527463533 /nfs/dbraw/zinc/46/35/33/527463533.db2.gz DVZXOANBGKDQLB-KRWDZBQOSA-N 0 0 301.430 3.405 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000358163119 527463983 /nfs/dbraw/zinc/46/39/83/527463983.db2.gz IBEARHRKWHJZIW-HOTGVXAUSA-N 0 0 309.413 3.133 10 30 DGEERN C=CCC[C@H](C(=O)NCc1nc(CO)cs1)c1ccccc1 ZINC000356413282 527464041 /nfs/dbraw/zinc/46/40/41/527464041.db2.gz FJFVOUXSBGRLKV-HNNXBMFYSA-N 0 0 316.426 3.002 10 30 DGEERN C=CCC[C@H](O)CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305535 527490015 /nfs/dbraw/zinc/49/00/15/527490015.db2.gz LUAYGKCBXYCSOQ-GJZGRUSLSA-N 0 0 305.422 3.191 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1C)C1CC1 ZINC000425853390 527494760 /nfs/dbraw/zinc/49/47/60/527494760.db2.gz IXYCNGHZUUCGDK-YJBOKZPZSA-N 0 0 314.429 3.260 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000424928713 527495110 /nfs/dbraw/zinc/49/51/10/527495110.db2.gz ADOGNBMZLZOAOS-QRTARXTBSA-N 0 0 305.393 3.102 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000424915456 527497682 /nfs/dbraw/zinc/49/76/82/527497682.db2.gz PFQKRXOJMHXHCZ-OBJOEFQTSA-N 0 0 305.443 3.194 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000337141841 527509714 /nfs/dbraw/zinc/50/97/14/527509714.db2.gz SRLMXWRTZICGQZ-QGZVFWFLSA-N 0 0 314.429 3.391 10 30 DGEERN C=CCCn1cc(-c2nc([C@H](C)Oc3ccccc3)no2)nn1 ZINC000424348987 527515162 /nfs/dbraw/zinc/51/51/62/527515162.db2.gz PVBJQCNLKHHIMW-LBPRGKRZSA-N 0 0 311.345 3.044 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N(C)Cc1ccccc1OCC ZINC000352523249 527526283 /nfs/dbraw/zinc/52/62/83/527526283.db2.gz LHCPNMJZVIUECQ-SFHVURJKSA-N 0 0 305.418 3.273 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000188125487 527533561 /nfs/dbraw/zinc/53/35/61/527533561.db2.gz SYMVRBKJCFKDSN-ACJLOTCBSA-N 0 0 321.417 3.110 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000355673511 527550336 /nfs/dbraw/zinc/55/03/36/527550336.db2.gz OQMDXBRVHLPOFO-QGZVFWFLSA-N 0 0 307.390 3.093 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000352166291 527551846 /nfs/dbraw/zinc/55/18/46/527551846.db2.gz DACLDQKSRUSTIY-LJQANCHMSA-N 0 0 321.380 3.496 10 30 DGEERN C=CCN(C(=O)c1occc1C)c1nc(C(=O)OCC)cs1 ZINC000355086587 527552813 /nfs/dbraw/zinc/55/28/13/527552813.db2.gz XXVGGSOFRIBWGX-UHFFFAOYSA-N 0 0 320.370 3.054 10 30 DGEERN C=CCN(C(=O)c1sc([C@@H]2CCCOC2)nc1C)C1CC1 ZINC000345216522 527552974 /nfs/dbraw/zinc/55/29/74/527552974.db2.gz UVPMUEBXBXFCCL-GFCCVEGCSA-N 0 0 306.431 3.136 10 30 DGEERN C=CCN(C(=O)c1sc([C@H]2CCCOC2)nc1C)C1CC1 ZINC000345216536 527553315 /nfs/dbraw/zinc/55/33/15/527553315.db2.gz UVPMUEBXBXFCCL-LBPRGKRZSA-N 0 0 306.431 3.136 10 30 DGEERN C=C[C@H](CC(=O)NCCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000340298337 527576539 /nfs/dbraw/zinc/57/65/39/527576539.db2.gz QDWPCCWZYUSRTA-MRXNPFEDSA-N 0 0 321.424 3.373 10 30 DGEERN C=C[C@H](CC(=O)N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000133223066 527577453 /nfs/dbraw/zinc/57/74/53/527577453.db2.gz SMVDGWBQPWBPNK-HUUCEWRRSA-N 0 0 324.428 3.152 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C(F)(F)c1ncccc1C ZINC000195374629 527585010 /nfs/dbraw/zinc/58/50/10/527585010.db2.gz MHZVXLMZQQKTRX-UHFFFAOYSA-N 0 0 308.250 3.059 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CNc1c(C)cccc1C ZINC000359236532 527585119 /nfs/dbraw/zinc/58/51/19/527585119.db2.gz WWFKJUFLGUQSLR-UHFFFAOYSA-N 0 0 300.324 3.292 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(CCCC)c1C ZINC000435058132 527589121 /nfs/dbraw/zinc/58/91/21/527589121.db2.gz SSTUHXPXVKNJRC-UHFFFAOYSA-N 0 0 303.328 3.182 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000428042995 527597350 /nfs/dbraw/zinc/59/73/50/527597350.db2.gz OBEURPLKOFHDKU-ZDUSSCGKSA-N 0 0 307.340 3.495 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344610238 527623163 /nfs/dbraw/zinc/62/31/63/527623163.db2.gz YVMYIRDNGXVWMF-UHFFFAOYSA-N 0 0 313.357 3.160 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000171614666 527629224 /nfs/dbraw/zinc/62/92/24/527629224.db2.gz NDCPCYQNNNGAFP-OAHLLOKOSA-N 0 0 323.440 3.115 10 30 DGEERN CC(C)(C)C1CCC(O)(CNC(=O)C2(C#N)CCCC2)CC1 ZINC000304247924 527631877 /nfs/dbraw/zinc/63/18/77/527631877.db2.gz PABQXZOMRKTTQQ-UHFFFAOYSA-N 0 0 306.450 3.154 10 30 DGEERN C=CCN(CCC#N)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000359427369 527656421 /nfs/dbraw/zinc/65/64/21/527656421.db2.gz MCOPTBLWKKQOBU-UHFFFAOYSA-N 0 0 322.412 3.090 10 30 DGEERN CC(C)CCO[C@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333608804 527773535 /nfs/dbraw/zinc/77/35/35/527773535.db2.gz WHKIKVLBTNQQDS-MAUKXSAKSA-N 0 0 304.434 3.124 10 30 DGEERN CCCCCCCC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191784990 528118971 /nfs/dbraw/zinc/11/89/71/528118971.db2.gz JRTIDVUNFYINBK-INIZCTEOSA-N 0 0 307.438 3.163 10 30 DGEERN CCCCCCCC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187040981 528120648 /nfs/dbraw/zinc/12/06/48/528120648.db2.gz REXASVVXNLBBAK-JKSUJKDBSA-N 0 0 311.466 3.437 10 30 DGEERN CCOC(=O)c1c(C)csc1NC(=O)c1cc(C#N)cs1 ZINC000176814579 528127089 /nfs/dbraw/zinc/12/70/89/528127089.db2.gz QNDHJJLCJDUZDO-UHFFFAOYSA-N 0 0 320.395 3.419 10 30 DGEERN CC(C)COc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000356991419 528165487 /nfs/dbraw/zinc/16/54/87/528165487.db2.gz TWDFSIYOOWCUDF-UHFFFAOYSA-N 0 0 300.402 3.487 10 30 DGEERN CCOc1c(F)cccc1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000175220505 528184162 /nfs/dbraw/zinc/18/41/62/528184162.db2.gz HVKQHFZBMHGFKE-UHFFFAOYSA-N 0 0 309.300 3.220 10 30 DGEERN CC(C)c1nnc(NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000182542152 528458179 /nfs/dbraw/zinc/45/81/79/528458179.db2.gz NSSSEFZLKHKGIC-UHFFFAOYSA-N 0 0 312.398 3.469 10 30 DGEERN CC(C)Cc1ccc([C@H](C)NS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000164374454 528658162 /nfs/dbraw/zinc/65/81/62/528658162.db2.gz WLBDDOYPLFABBZ-AWEZNQCLSA-N 0 0 320.458 3.169 10 30 DGEERN CC(C)n1ncnc1CNc1ccc(Br)c(C#N)c1 ZINC000297853926 528695674 /nfs/dbraw/zinc/69/56/74/528695674.db2.gz TUBWMDSGYAXYMP-UHFFFAOYSA-N 0 0 320.194 3.105 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000356990367 528838523 /nfs/dbraw/zinc/83/85/23/528838523.db2.gz STFJYPSTLFNRSH-TZMCWYRMSA-N 0 0 304.340 3.221 10 30 DGEERN CCCC[C@H](C)N(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000359710253 528891550 /nfs/dbraw/zinc/89/15/50/528891550.db2.gz WZTIVRLTDODZHB-GUYCJALGSA-N 0 0 310.438 3.285 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(N2CCCC2=O)cn1 ZINC000158939401 546049439 /nfs/dbraw/zinc/04/94/39/546049439.db2.gz RCCXRHOMNFGHHT-UHFFFAOYSA-N 0 0 323.396 3.385 10 30 DGEERN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1Br ZINC000181146454 546154571 /nfs/dbraw/zinc/15/45/71/546154571.db2.gz SCLMMRNLZHUCED-VIFPVBQESA-N 0 0 318.174 3.140 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000182637791 546167698 /nfs/dbraw/zinc/16/76/98/546167698.db2.gz HXAUSLCBKTVHDL-KBPBESRZSA-N 0 0 303.406 3.058 10 30 DGEERN C=CCOc1ccc(CNc2cnc3c(c2)c(C)nn3C)cc1 ZINC000237857566 546288681 /nfs/dbraw/zinc/28/86/81/546288681.db2.gz RJBJIOWCCVRZDO-UHFFFAOYSA-N 0 0 308.385 3.454 10 30 DGEERN O=C(NCC[C@@H]1CCOC1)NC1CCC(C(F)(F)F)CC1 ZINC000329668155 546489388 /nfs/dbraw/zinc/48/93/88/546489388.db2.gz RVNPYIKZOFCOSX-VOMCLLRMSA-N 0 0 308.344 3.038 10 30 DGEERN C[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@H]1CCCCO1 ZINC000329671597 546489703 /nfs/dbraw/zinc/48/97/03/546489703.db2.gz NGQFEYQGGFNKEZ-UAGQMJEPSA-N 0 0 324.465 3.139 10 30 DGEERN CC(=O)NC1(c2noc([C@H]3CCCC(=O)N3)n2)CCCCC1 ZINC000329759341 546491623 /nfs/dbraw/zinc/49/16/23/546491623.db2.gz OSTXWQFLYGHINZ-LLVKDONJSA-N 0 0 306.366 3.387 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000329803982 546492598 /nfs/dbraw/zinc/49/25/98/546492598.db2.gz LRGFXJAIDIQHLC-NBOOPKSLSA-N 0 0 316.445 3.296 10 30 DGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000329993954 546494129 /nfs/dbraw/zinc/49/41/29/546494129.db2.gz LTYIFVCMDVXNKM-XKQJLSEDSA-N 0 0 320.408 3.258 10 30 DGEERN Cc1cnc([C@H](C)NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)o1 ZINC000330106587 546495113 /nfs/dbraw/zinc/49/51/13/546495113.db2.gz LCMHPJWVGIDSSH-FPMFFAJLSA-N 0 0 301.346 3.173 10 30 DGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333527108 546507782 /nfs/dbraw/zinc/50/77/82/546507782.db2.gz PFFLTCZCDHXIPJ-XZRQJILWSA-N 0 0 324.424 3.220 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000355437022 546681894 /nfs/dbraw/zinc/68/18/94/546681894.db2.gz MDGMHSYHKPYJBO-RNJOBUHISA-N 0 0 305.340 3.062 10 30 DGEERN C=CCn1c(S[C@H](C)[C@@H](C)O)nnc1-c1cccc(OC)c1 ZINC000359772158 546711356 /nfs/dbraw/zinc/71/13/56/546711356.db2.gz ZDBQOJBRJKTJNN-VXGBXAGGSA-N 0 0 319.430 3.001 10 30 DGEERN C=CCn1c(S[C@H](C)[C@@H](C)O)nnc1-c1ccccc1F ZINC000445591213 546839385 /nfs/dbraw/zinc/83/93/85/546839385.db2.gz CVTAMGMXIDYTKO-GHMZBOCLSA-N 0 0 307.394 3.132 10 30 DGEERN C=C(CNC(=O)N1CCCCC[C@H]1CCO)c1ccccc1 ZINC000512661435 546950685 /nfs/dbraw/zinc/95/06/85/546950685.db2.gz SGDXHMAZMATTEB-KRWDZBQOSA-N 0 0 302.418 3.036 10 30 DGEERN CC(C)[C@H](O)CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245031 549811346 /nfs/dbraw/zinc/81/13/46/549811346.db2.gz DLOWKAGSVATKNX-CYBMUJFWSA-N 0 0 307.191 3.084 10 30 DGEERN C#CCOc1cccc(COC(=O)CCc2cccs2)c1 ZINC000730404406 574528674 /nfs/dbraw/zinc/52/86/74/574528674.db2.gz BBDQTYPXPUCCTQ-UHFFFAOYSA-N 0 0 300.379 3.436 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2cccc(CC)c2)c1 ZINC000730403388 574528678 /nfs/dbraw/zinc/52/86/78/574528678.db2.gz HXODHBQDASLLDF-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1cccc(COC(=O)CCc2cccc(OC)c2)c1 ZINC000730403283 574528681 /nfs/dbraw/zinc/52/86/81/574528681.db2.gz BCCWRCMBEZVYBE-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1CC1(Cl)Cl ZINC000730424918 574529230 /nfs/dbraw/zinc/52/92/30/574529230.db2.gz KNBPNYURZFQHPK-JQWIXIFHSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)c2ccc(COC)o2)cc1 ZINC000730424733 574529362 /nfs/dbraw/zinc/52/93/62/574529362.db2.gz BQTHWGFRRZZRKO-ZDUSSCGKSA-N 0 0 314.337 3.356 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CCOCC(C)C ZINC000730426307 574529402 /nfs/dbraw/zinc/52/94/02/574529402.db2.gz VGFUSDDHPDQRIS-HNNXBMFYSA-N 0 0 304.386 3.366 10 30 DGEERN C#CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000730975652 574540491 /nfs/dbraw/zinc/54/04/91/574540491.db2.gz IEIRUVIJCUVNLQ-UHFFFAOYSA-N 0 0 310.309 3.168 10 30 DGEERN c1ccc(-c2nnc(N=NC3CCOC3)n2-c2ccccc2)cc1 ZINC000731925398 574562456 /nfs/dbraw/zinc/56/24/56/574562456.db2.gz BVJSHCWSMJSTNJ-UHFFFAOYSA-N 0 0 319.368 3.123 10 30 DGEERN C#CCCCOC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000732709910 574579767 /nfs/dbraw/zinc/57/97/67/574579767.db2.gz WELWZKIVDDAGLR-UHFFFAOYSA-N 0 0 302.761 3.404 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000741681469 574606148 /nfs/dbraw/zinc/60/61/48/574606148.db2.gz MTROJIFBBBJINV-SFHVURJKSA-N 0 0 310.401 3.145 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000733246853 574609748 /nfs/dbraw/zinc/60/97/48/574609748.db2.gz TWCQWGFXAOFPMX-UHFFFAOYSA-N 0 0 315.376 3.292 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000733247923 574610071 /nfs/dbraw/zinc/61/00/71/574610071.db2.gz SYSBGYOGBSAPMI-UHFFFAOYSA-N 0 0 315.376 3.292 10 30 DGEERN C#CCCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000733247960 574610128 /nfs/dbraw/zinc/61/01/28/574610128.db2.gz UFYQXCFGJURLDZ-UHFFFAOYSA-N 0 0 309.365 3.027 10 30 DGEERN C#CCCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000733287335 574612063 /nfs/dbraw/zinc/61/20/63/574612063.db2.gz CLNIDPZPMICLAZ-UHFFFAOYSA-N 0 0 306.365 3.000 10 30 DGEERN C#CCCNC(=O)NCc1cccc(COc2ccccc2)c1 ZINC000733339891 574617397 /nfs/dbraw/zinc/61/73/97/574617397.db2.gz CYEBXZXBHLWPEL-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN Cc1cnn(CCCCCOC(=O)c2sccc2C#N)c1 ZINC000733473524 574624787 /nfs/dbraw/zinc/62/47/87/574624787.db2.gz CXLARFBNSHLNJF-UHFFFAOYSA-N 0 0 303.387 3.152 10 30 DGEERN C#CC[C@H](OC(=O)COc1cc(C)cc(C)c1)c1ccccn1 ZINC000733692917 574633861 /nfs/dbraw/zinc/63/38/61/574633861.db2.gz RGICCHKCCNOTNW-SFHVURJKSA-N 0 0 309.365 3.385 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@@H]2CCCC[C@@H]2C)c1 ZINC000733698729 574634702 /nfs/dbraw/zinc/63/47/02/574634702.db2.gz YGVQBCQBNKVOAD-MAUKXSAKSA-N 0 0 316.397 3.337 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)CCc2cscn2)cc1 ZINC000733698027 574634724 /nfs/dbraw/zinc/63/47/24/574634724.db2.gz QHUMSHCWBAZSLW-CYBMUJFWSA-N 0 0 315.394 3.392 10 30 DGEERN C=C(COC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)C(=O)OCC ZINC000734029547 574647488 /nfs/dbraw/zinc/64/74/88/574647488.db2.gz NWVASIKYPCIRRI-UHFFFAOYSA-N 0 0 322.405 3.038 10 30 DGEERN C=C(COC(=O)[C@@H](C)CSc1ccccc1)C(=O)OCC ZINC000734032456 574647927 /nfs/dbraw/zinc/64/79/27/574647927.db2.gz ISAFVRWSKLEDRO-ZDUSSCGKSA-N 0 0 308.399 3.077 10 30 DGEERN C=C(COC(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC000734024287 574648320 /nfs/dbraw/zinc/64/83/20/574648320.db2.gz JJRPLNPZJZYHNP-UHFFFAOYSA-N 0 0 303.141 3.270 10 30 DGEERN C=C(COC(=O)Cc1c(Cl)cccc1Cl)C(=O)OCC ZINC000734025527 574648336 /nfs/dbraw/zinc/64/83/36/574648336.db2.gz UCFDTLZUNQZOME-UHFFFAOYSA-N 0 0 317.168 3.198 10 30 DGEERN C=C(COC(=O)CCCc1c[nH]c2ccccc12)C(=O)OCC ZINC000734023768 574648425 /nfs/dbraw/zinc/64/84/25/574648425.db2.gz BRGQHGXEWSZKSS-UHFFFAOYSA-N 0 0 315.369 3.153 10 30 DGEERN C=C(COC(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC000734023747 574648491 /nfs/dbraw/zinc/64/84/91/574648491.db2.gz AXOLMWQPOIKQNQ-UHFFFAOYSA-N 0 0 303.141 3.270 10 30 DGEERN C#CCOc1ccccc1CNC(=O)C(C)(C)c1cccs1 ZINC000734327505 574656258 /nfs/dbraw/zinc/65/62/58/574656258.db2.gz YQBFWSTYEAVMJS-UHFFFAOYSA-N 0 0 313.422 3.354 10 30 DGEERN C#CCCNC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000735099720 574688270 /nfs/dbraw/zinc/68/82/70/574688270.db2.gz FTOQULHXKWSSCN-UHFFFAOYSA-N 0 0 304.821 3.327 10 30 DGEERN C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)CC(C)(C)O1 ZINC000735309571 574696833 /nfs/dbraw/zinc/69/68/33/574696833.db2.gz IWCYRCSWUKWZSH-GFCCVEGCSA-N 0 0 308.809 3.242 10 30 DGEERN CC(C)OCCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735340389 574698796 /nfs/dbraw/zinc/69/87/96/574698796.db2.gz FNQGXFIWKKHFGU-UHFFFAOYSA-N 0 0 311.765 3.101 10 30 DGEERN Cc1ncccc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735351377 574699180 /nfs/dbraw/zinc/69/91/80/574699180.db2.gz ZUGDTNAYIIXEQE-UHFFFAOYSA-N 0 0 316.744 3.303 10 30 DGEERN C#CCN(CC#CC)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000742003263 574813430 /nfs/dbraw/zinc/81/34/30/574813430.db2.gz WIWOBFAXJKVRQE-ZHACJKMWSA-N 0 0 322.795 3.387 10 30 DGEERN C#CCSCCNC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000739821018 574912562 /nfs/dbraw/zinc/91/25/62/574912562.db2.gz BVVDEUYBQJYAOI-HNNXBMFYSA-N 0 0 307.484 3.286 10 30 DGEERN C=CCCOC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000740190565 574928062 /nfs/dbraw/zinc/92/80/62/574928062.db2.gz RCUBSXLCCUFPRT-ZDUSSCGKSA-N 0 0 303.402 3.222 10 30 DGEERN C=C(COC(=O)[C@@H](CC(C)C)c1ccccc1)C(=O)OCC ZINC000741051828 574950329 /nfs/dbraw/zinc/95/03/29/574950329.db2.gz RWKXUFMYLNVRJB-INIZCTEOSA-N 0 0 304.386 3.479 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1 ZINC000741565233 574963064 /nfs/dbraw/zinc/96/30/64/574963064.db2.gz SGNDINRCSJIMKD-KUHUBIRLSA-N 0 0 305.377 3.362 10 30 DGEERN C#CCOc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000741547621 574962543 /nfs/dbraw/zinc/96/25/43/574962543.db2.gz HEWOHZTXIHGVKW-SFYZZRBRSA-N 0 0 309.409 3.349 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc1 ZINC000742015403 574979537 /nfs/dbraw/zinc/97/95/37/574979537.db2.gz GWYQKHCYAVSQMF-AWEZNQCLSA-N 0 0 311.381 3.351 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cc(-c3cc(C)cc(C)c3)[nH]n2)cn1 ZINC000728968356 575198308 /nfs/dbraw/zinc/19/83/08/575198308.db2.gz QOTURGKRNQGFFJ-UHFFFAOYSA-N 0 0 316.364 3.322 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)/C=C(\CC)c1ccccc1 ZINC000729015871 575208692 /nfs/dbraw/zinc/20/86/92/575208692.db2.gz TXRWZNIAFGKIEK-FOWTUZBSSA-N 0 0 315.413 3.448 10 30 DGEERN C#Cc1ccc(C(=O)OCc2cccc(Br)c2)cn1 ZINC000729030659 575210986 /nfs/dbraw/zinc/21/09/86/575210986.db2.gz WUBGTUDOQSEGKL-UHFFFAOYSA-N 0 0 316.154 3.182 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ccccn2)n1 ZINC000725715510 575840669 /nfs/dbraw/zinc/84/06/69/575840669.db2.gz XHKRKMXPQNQZES-INIZCTEOSA-N 0 0 314.414 3.263 10 30 DGEERN C#CCCOC(=O)CSCc1cc(-c2cccs2)on1 ZINC000727042381 576097025 /nfs/dbraw/zinc/09/70/25/576097025.db2.gz WPZQMXJDGMBGQZ-UHFFFAOYSA-N 0 0 307.396 3.203 10 30 DGEERN C#CCN(C(=O)N[C@H](COC)c1ccccc1)C1CCCCC1 ZINC000727228521 576114145 /nfs/dbraw/zinc/11/41/45/576114145.db2.gz PERLHEYATDLLOW-GOSISDBHSA-N 0 0 314.429 3.352 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)/C=C/c2ccc(C)cc2)c1 ZINC000728509235 576186301 /nfs/dbraw/zinc/18/63/01/576186301.db2.gz YUAIPPXIYFVVAQ-OUKQBFOZSA-N 0 0 311.406 3.413 10 30 DGEERN C#Cc1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cn1 ZINC000728803856 576206395 /nfs/dbraw/zinc/20/63/95/576206395.db2.gz DOWILRCEJUGRAX-GOSISDBHSA-N 0 0 302.333 3.175 10 30 DGEERN C#CCSCCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000154865766 620732583 /nfs/dbraw/zinc/73/25/83/620732583.db2.gz QEDKFBWFGOOKEF-LBPRGKRZSA-N 0 0 310.850 3.409 10 30 DGEERN COc1ccc(O)c(/C=N/[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000155093857 620766956 /nfs/dbraw/zinc/76/69/56/620766956.db2.gz QMZCYPPANKRQAO-MDBUFAAASA-N 0 0 322.368 3.162 10 30 DGEERN N#Cc1cccnc1NCCOC(=O)c1cccc2ccccc21 ZINC000111959166 620772914 /nfs/dbraw/zinc/77/29/14/620772914.db2.gz KSCMSPXBBWFHSS-UHFFFAOYSA-N 0 0 317.348 3.375 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)C1(CCOC)CC1 ZINC000155169169 620780054 /nfs/dbraw/zinc/78/00/54/620780054.db2.gz KYGJGKUDGIBOMT-AWEZNQCLSA-N 0 0 302.370 3.120 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000112002217 620784305 /nfs/dbraw/zinc/78/43/05/620784305.db2.gz FJOXADBLKJLKBM-OAHLLOKOSA-N 0 0 322.408 3.420 10 30 DGEERN CCCCCCCCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112065856 620789127 /nfs/dbraw/zinc/78/91/27/620789127.db2.gz KBKMZFVAVURBDB-KRWDZBQOSA-N 0 0 321.465 3.170 10 30 DGEERN CC(C)(C)SCCCC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000155178837 618992805 /nfs/dbraw/zinc/99/28/05/618992805.db2.gz DURNDDSCHYBTGG-CYBMUJFWSA-N 0 0 310.463 3.066 10 30 DGEERN C[C@H](OC(=O)CSCc1ccc(C#N)cc1)C1CCOCC1 ZINC000151453759 620448890 /nfs/dbraw/zinc/44/88/90/620448890.db2.gz OYQMKDFKGGDMPV-ZDUSSCGKSA-N 0 0 319.426 3.150 10 30 DGEERN N#Cc1c(F)cccc1OS(=O)(=O)/C=C/c1ccccc1 ZINC000151732255 620472181 /nfs/dbraw/zinc/47/21/81/620472181.db2.gz ITQDBZHTJQSSJK-MDZDMXLPSA-N 0 0 303.314 3.077 10 30 DGEERN CCCCCCNC(=O)[C@H](C#N)C(=O)Cc1cccc(CC)c1 ZINC000152183336 620496014 /nfs/dbraw/zinc/49/60/14/620496014.db2.gz UDUOOIJKVBSDPP-QGZVFWFLSA-N 0 0 314.429 3.197 10 30 DGEERN C#C[C@H](OC(=O)C1(c2ccc(Br)cc2)CC1)C1CC1 ZINC000152420072 620506264 /nfs/dbraw/zinc/50/62/64/620506264.db2.gz RJOXTDOJIWDUMF-AWEZNQCLSA-N 0 0 319.198 3.436 10 30 DGEERN COc1ccc(CC(=O)OC[C@@H](C#N)Cc2cccs2)cc1 ZINC000153336113 620551472 /nfs/dbraw/zinc/55/14/72/620551472.db2.gz FOLHCQHNHIMJCA-CQSZACIVSA-N 0 0 315.394 3.225 10 30 DGEERN C#Cc1cccc(NC(=O)NCc2nc3c(cccc3C)[nH]2)c1 ZINC000153453290 620566433 /nfs/dbraw/zinc/56/64/33/620566433.db2.gz QUMDXKYXRDYWKB-UHFFFAOYSA-N 0 0 304.353 3.174 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000153884182 620620891 /nfs/dbraw/zinc/62/08/91/620620891.db2.gz LICPFKFDPVKUJC-RDTXWAMCSA-N 0 0 309.365 3.362 10 30 DGEERN CCCCCCCS(=O)(=O)Cc1nc(-c2ccoc2)no1 ZINC000119287590 621642518 /nfs/dbraw/zinc/64/25/18/621642518.db2.gz ZOVQNFYFIRDLGL-UHFFFAOYSA-N 0 0 312.391 3.215 10 30 DGEERN C#CCN(C(=O)N[C@H]1CCCOc2ccccc21)C1CCCC1 ZINC000119853522 621738043 /nfs/dbraw/zinc/73/80/43/621738043.db2.gz QQRDZGGAPYFQSY-KRWDZBQOSA-N 0 0 312.413 3.488 10 30 DGEERN N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000119954128 621755276 /nfs/dbraw/zinc/75/52/76/621755276.db2.gz VPZFELALPHQGSV-GFCCVEGCSA-N 0 0 314.291 3.199 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000120709132 621981753 /nfs/dbraw/zinc/98/17/53/621981753.db2.gz DAXQMEXNISXOJV-OLZOCXBDSA-N 0 0 304.365 3.490 10 30 DGEERN C#CCN(C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)C1CCCC1 ZINC000121674749 622171402 /nfs/dbraw/zinc/17/14/02/622171402.db2.gz RITLOMYFIKRUHK-BBRMVZONSA-N 0 0 318.367 3.408 10 30 DGEERN C#CCN(C(=O)NCCc1ccc(C)c(OC)c1)C1CCCC1 ZINC000122520759 622344596 /nfs/dbraw/zinc/34/45/96/622344596.db2.gz GBKKEJNSQNQSTQ-UHFFFAOYSA-N 0 0 314.429 3.134 10 30 DGEERN Cc1ccccc1C1=N/C(=C\c2ccc(OCC#N)cc2)C(=O)O1 ZINC000018137511 622450652 /nfs/dbraw/zinc/45/06/52/622450652.db2.gz OHLHAYMGQDSFNX-ATVHPVEESA-N 0 0 318.332 3.242 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1CSC1=NCCS1 ZINC000123519200 622557334 /nfs/dbraw/zinc/55/73/34/622557334.db2.gz QQSGCCFKAKFQMC-LBPRGKRZSA-N 0 0 319.455 3.055 10 30 DGEERN C#CC[C@H](OC(=O)CCCC[C@H](C)C(C)=O)c1ccccn1 ZINC000123863489 622734016 /nfs/dbraw/zinc/73/40/16/622734016.db2.gz NHDZPSGFSWBBDH-YOEHRIQHSA-N 0 0 301.386 3.475 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1-c1ccccc1C ZINC000123993078 622856738 /nfs/dbraw/zinc/85/67/38/622856738.db2.gz FVZUOZDSGFZAIG-UHFFFAOYSA-N 0 0 318.380 3.354 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1cnn2c1CCCC2 ZINC000125596593 623492896 /nfs/dbraw/zinc/49/28/96/623492896.db2.gz YADXOISODCMHHX-UHFFFAOYSA-N 0 0 312.369 3.176 10 30 DGEERN O=C(OCC#Cc1ccc(Cl)cc1)c1cnn2c1CCCC2 ZINC000125817211 623564468 /nfs/dbraw/zinc/56/44/68/623564468.db2.gz IPVFCZYLKKNHDN-UHFFFAOYSA-N 0 0 314.772 3.081 10 30 DGEERN C[C@@H](OC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000125966891 623624203 /nfs/dbraw/zinc/62/42/03/623624203.db2.gz DSIVLQPWOCPSJZ-OLZOCXBDSA-N 0 0 324.421 3.115 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000126155196 623699826 /nfs/dbraw/zinc/69/98/26/623699826.db2.gz SQJDGDXTXJJREM-UKRRQHHQSA-N 0 0 304.390 3.232 10 30 DGEERN COc1ccc(NCc2cc(C#N)cs2)c(OC)c1OC ZINC000126265362 623756334 /nfs/dbraw/zinc/75/63/34/623756334.db2.gz AZDHUTZNTVRQJC-UHFFFAOYSA-N 0 0 304.371 3.258 10 30 DGEERN COC[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000103640353 626395060 /nfs/dbraw/zinc/39/50/60/626395060.db2.gz RSRDMXVBQPHCMP-WCBMZHEXSA-N 0 0 308.790 3.408 10 30 DGEERN COc1ccc(OCCCC(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000131724686 626674353 /nfs/dbraw/zinc/67/43/53/626674353.db2.gz XFBHUDGMFCCIMP-CYBMUJFWSA-N 0 0 305.374 3.336 10 30 DGEERN C#CCOCCC(=O)O[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000132094618 626698997 /nfs/dbraw/zinc/69/89/97/626698997.db2.gz PBLHYABBBYUHDY-ZDUSSCGKSA-N 0 0 315.394 3.454 10 30 DGEERN C#CCN(C1CCCC1)S(=O)(=O)c1c(F)cccc1Cl ZINC000133046965 626762134 /nfs/dbraw/zinc/76/21/34/626762134.db2.gz XOWLVZDNMOSALT-UHFFFAOYSA-N 0 0 315.797 3.046 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000133076026 626763367 /nfs/dbraw/zinc/76/33/67/626763367.db2.gz KJHDOHADHBDWMS-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCOC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000133836212 626841751 /nfs/dbraw/zinc/84/17/51/626841751.db2.gz LPIUCWSNEMIEGF-UHFFFAOYSA-N 0 0 303.358 3.327 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000134139801 626859230 /nfs/dbraw/zinc/85/92/30/626859230.db2.gz OBNQVACPMSORQA-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000134767245 626886102 /nfs/dbraw/zinc/88/61/02/626886102.db2.gz YKKXJTJCMKZJIP-GFCCVEGCSA-N 0 0 310.394 3.041 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000135087578 626908188 /nfs/dbraw/zinc/90/81/88/626908188.db2.gz IYOHRNIDEBFVLE-CQSZACIVSA-N 0 0 310.438 3.058 10 30 DGEERN COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1NC(C)=O ZINC000102200919 629997383 /nfs/dbraw/zinc/99/73/83/629997383.db2.gz YGQWQYHWYHWIFG-VQHVLOKHSA-N 0 0 320.348 3.421 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000121483729 630341722 /nfs/dbraw/zinc/34/17/22/630341722.db2.gz OLCSJHBQIHXPIT-CQSZACIVSA-N 0 0 321.398 3.152 10 30 DGEERN C#Cc1cccc(NC(=O)NCCOc2ccc(F)cc2F)c1 ZINC000106564325 631337402 /nfs/dbraw/zinc/33/74/02/631337402.db2.gz HQXHSZFDQALQHN-UHFFFAOYSA-N 0 0 316.307 3.147 10 30 DGEERN C#CCOc1ccc(NC(=O)c2ccc(-c3ncon3)cc2)cc1 ZINC000108187810 631823611 /nfs/dbraw/zinc/82/36/11/631823611.db2.gz QDZMRBBZRBGFSM-UHFFFAOYSA-N 0 0 319.320 3.001 10 30 DGEERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C#N)C3CC3)c2C)cc1 ZINC000108833395 631946566 /nfs/dbraw/zinc/94/65/66/631946566.db2.gz VUGUGJDDSUDPCU-SFHVURJKSA-N 0 0 323.396 3.135 10 30 DGEERN C=C(Br)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094274 632057534 /nfs/dbraw/zinc/05/75/34/632057534.db2.gz JDFJXKSEQLVAML-NXEZZACHSA-N 0 0 316.145 3.093 10 30 DGEERN COCCCOc1ccc(C(=O)OCC(C)(C)CC#N)cc1 ZINC000184772723 660186107 /nfs/dbraw/zinc/18/61/07/660186107.db2.gz QVNVKCCGAYWXQQ-UHFFFAOYSA-N 0 0 305.374 3.199 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)CC#N ZINC000184799840 660187731 /nfs/dbraw/zinc/18/77/31/660187731.db2.gz BPOBKMQEFHMRFE-ZRDIBKRKSA-N 0 0 302.330 3.481 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000184924581 660194767 /nfs/dbraw/zinc/19/47/67/660194767.db2.gz XXPRGVNVNZPHHH-FPAJZGIOSA-N 0 0 302.330 3.480 10 30 DGEERN COc1ccc(C(=O)CCC(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000184916841 660195029 /nfs/dbraw/zinc/19/50/29/660195029.db2.gz OEMRNOLVORCSTK-OAHLLOKOSA-N 0 0 303.358 3.140 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)OCC(F)(F)F)cc1OC ZINC000072508730 660199674 /nfs/dbraw/zinc/19/96/74/660199674.db2.gz QCRDLQOUJWUBKO-FNORWQNLSA-N 0 0 316.275 3.379 10 30 DGEERN C#CCC(C)(C)COC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000185372615 660219515 /nfs/dbraw/zinc/21/95/15/660219515.db2.gz CCZDNZKKOSFWLS-UHFFFAOYSA-N 0 0 302.296 3.042 10 30 DGEERN C#CC[C@H](OC(=O)CCc1ccc(OC)cc1)c1ccccn1 ZINC000073293945 660261304 /nfs/dbraw/zinc/26/13/04/660261304.db2.gz ZGOULHYWHFSCEN-SFHVURJKSA-N 0 0 309.365 3.331 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000073359813 660267629 /nfs/dbraw/zinc/26/76/29/660267629.db2.gz PTVDKAHQYCFUGB-ZHACJKMWSA-N 0 0 319.364 3.193 10 30 DGEERN COc1cc(C#N)ccc1OCCOc1cccc([C@@H](C)O)c1 ZINC000085267923 660390996 /nfs/dbraw/zinc/39/09/96/660390996.db2.gz KGAPDMRZWHQEDT-CYBMUJFWSA-N 0 0 313.353 3.078 10 30 DGEERN CCCCN(C)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081545204 660508379 /nfs/dbraw/zinc/50/83/79/660508379.db2.gz JTPIEINFXDUWJJ-UHFFFAOYSA-N 0 0 310.401 3.385 10 30 DGEERN C#CC(C)(C)NC(=O)/C=C/c1ccc(C)cc1Br ZINC000700593034 660630100 /nfs/dbraw/zinc/63/01/00/660630100.db2.gz PUUPWFWLNZLMFB-CMDGGOBGSA-N 0 0 306.203 3.299 10 30 DGEERN C#CCN(CC)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000700627115 660630993 /nfs/dbraw/zinc/63/09/93/660630993.db2.gz XKXQLNZFGCTGBD-GFCCVEGCSA-N 0 0 308.219 3.424 10 30 DGEERN C#C[C@H](CC)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000700625913 660631005 /nfs/dbraw/zinc/63/10/05/660631005.db2.gz ANDCTUKOSASCBM-BXUZGUMPSA-N 0 0 308.219 3.471 10 30 DGEERN CC(C)(C)OC(=O)NC1CC(CNc2ccc(CC#N)cc2)C1 ZINC000711425078 660951383 /nfs/dbraw/zinc/95/13/83/660951383.db2.gz JXLYMDCJSHGCFV-UHFFFAOYSA-N 0 0 315.417 3.468 10 30 DGEERN N#C[C@@H](C(=O)C1(c2ccccc2)CCOCC1)c1ccccn1 ZINC000049458407 655523957 /nfs/dbraw/zinc/52/39/57/655523957.db2.gz TYDMSBJURXUYCO-MRXNPFEDSA-N 0 0 306.365 3.006 10 30 DGEERN N#Cc1sc(N2CCS[C@H](C(F)(F)F)C2)nc1Cl ZINC000721423063 655585110 /nfs/dbraw/zinc/58/51/10/655585110.db2.gz KFANQHATHVSYDB-LURJTMIESA-N 0 0 313.757 3.152 10 30 DGEERN Oc1ccc(/C=N\[C@@H]2CCCc3cc(F)ccc32)c(O)c1O ZINC000255079831 655595594 /nfs/dbraw/zinc/59/55/94/655595594.db2.gz KKSCBXAETLVYHM-NGMPYOPUSA-N 0 0 301.317 3.439 10 30 DGEERN CC1(C)CC(=O)C(=CNC2C3CC4CC(C3)CC2C4)C(=O)C1 ZINC000121042309 655601742 /nfs/dbraw/zinc/60/17/42/655601742.db2.gz DKIFIVVMGSLFPM-UHFFFAOYSA-N 0 0 301.430 3.243 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000255132466 655608027 /nfs/dbraw/zinc/60/80/27/655608027.db2.gz PSARNMKHNLNHFQ-WBTMPAOCSA-N 0 0 308.303 3.372 10 30 DGEERN N#Cc1cccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255161084 655617160 /nfs/dbraw/zinc/61/71/60/655617160.db2.gz YRVOUCHHLIAGJC-HJWRWDBZSA-N 0 0 302.330 3.110 10 30 DGEERN C=C[C@@H](C)OC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000187636274 655644897 /nfs/dbraw/zinc/64/48/97/655644897.db2.gz MGACDJONJDJOCA-LLVKDONJSA-N 0 0 316.353 3.160 10 30 DGEERN C=C[C@@H](C)OC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000187618260 655696759 /nfs/dbraw/zinc/69/67/59/655696759.db2.gz SRMOLRZILXTXFC-GFCCVEGCSA-N 0 0 316.357 3.186 10 30 DGEERN C=CCc1ccccc1OC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000176015886 655731906 /nfs/dbraw/zinc/73/19/06/655731906.db2.gz HZWZHNLJBRRJJS-CABCVRRESA-N 0 0 302.370 3.300 10 30 DGEERN COc1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1OCC(C)C ZINC000176079936 655732274 /nfs/dbraw/zinc/73/22/74/655732274.db2.gz YLCIUPOJKABKAR-INIZCTEOSA-N 0 0 303.358 3.189 10 30 DGEERN N#C[C@H](OC(=O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000176064301 655738048 /nfs/dbraw/zinc/73/80/48/655738048.db2.gz QWUMJWGOJUEPJV-LBPRGKRZSA-N 0 0 300.141 3.218 10 30 DGEERN Clc1ccc(C#CCn2nnc(-c3cccs3)n2)cc1 ZINC000176286727 655746969 /nfs/dbraw/zinc/74/69/69/655746969.db2.gz HCXDIGLURRLKOB-UHFFFAOYSA-N 0 0 300.774 3.107 10 30 DGEERN O=C(/C=C\c1c(Cl)nc2sccn12)c1cncc(F)c1 ZINC000255512350 655783016 /nfs/dbraw/zinc/78/30/16/655783016.db2.gz BKRXAZIEWKDXAO-UPHRSURJSA-N 0 0 307.737 3.479 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000161397744 655793760 /nfs/dbraw/zinc/79/37/60/655793760.db2.gz RBPYXFYWIXTFGW-UHFFFAOYSA-N 0 0 321.380 3.257 10 30 DGEERN CCOc1cc2c(cc1/C=C\C(=O)OCCCC#N)O[C@@H](C)C2 ZINC000255548764 655794385 /nfs/dbraw/zinc/79/43/85/655794385.db2.gz HUWLUSCPZXIZFV-FWWRYZNZSA-N 0 0 315.369 3.269 10 30 DGEERN CC(C)NC(=O)c1ccccc1NC(=O)c1sccc1C#N ZINC000052030738 655800394 /nfs/dbraw/zinc/80/03/94/655800394.db2.gz OALCRZQRAYAPFC-UHFFFAOYSA-N 0 0 313.382 3.010 10 30 DGEERN C=CCN(C)C(=O)/C=C/c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000161739427 655814155 /nfs/dbraw/zinc/81/41/55/655814155.db2.gz DUQCTHOVUDRYCT-SBDDDAINSA-N 0 0 301.386 3.066 10 30 DGEERN Cc1ccc(C=NOCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000255570407 655815864 /nfs/dbraw/zinc/81/58/64/655815864.db2.gz KWHICIFWAMDDPE-UHFFFAOYSA-N 0 0 304.296 3.262 10 30 DGEERN N#C[C@H](NC(=O)c1cccnc1Sc1ccccc1)C1CC1 ZINC000161853386 655823821 /nfs/dbraw/zinc/82/38/21/655823821.db2.gz OPJIRVMKSPQKNI-HNNXBMFYSA-N 0 0 309.394 3.265 10 30 DGEERN N#Cc1ccc(NS(=O)(=O)/C=C\c2ccccc2)c(F)c1 ZINC000255579162 655836922 /nfs/dbraw/zinc/83/69/22/655836922.db2.gz OYRRVAKJTNVLMV-HJWRWDBZSA-N 0 0 302.330 3.110 10 30 DGEERN N#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000177010896 655886380 /nfs/dbraw/zinc/88/63/80/655886380.db2.gz BSGJGJCHAFINCN-MCIONIFRSA-N 0 0 320.186 3.398 10 30 DGEERN C[C@H](Oc1cccc(Br)c1)C(=O)O[C@H](C#N)C1CC1 ZINC000177015826 655886843 /nfs/dbraw/zinc/88/68/43/655886843.db2.gz GWIAVUSLHVPOEE-TVQRCGJNSA-N 0 0 324.174 3.062 10 30 DGEERN C#CCCCNC(=O)c1c[nH]c2cccc(Br)c21 ZINC000179467748 655893397 /nfs/dbraw/zinc/89/33/97/655893397.db2.gz ILYDJUMGSMGSEY-UHFFFAOYSA-N 0 0 305.175 3.074 10 30 DGEERN Brc1cnc(CNCC#Cc2ccccc2)s1 ZINC000714937888 661204851 /nfs/dbraw/zinc/20/48/51/661204851.db2.gz ZSKGMYZDHNYNFH-UHFFFAOYSA-N 0 0 307.216 3.047 10 30 DGEERN C=C(C)[C@@H]1CC=C(COC(=O)CCCNC(=O)C2CC2)CC1 ZINC000177694170 655940174 /nfs/dbraw/zinc/94/01/74/655940174.db2.gz BGGFEKIDMOZWTF-OAHLLOKOSA-N 0 0 305.418 3.139 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)C(C)C ZINC000177718358 655943233 /nfs/dbraw/zinc/94/32/33/655943233.db2.gz BFPVIZDGOZJYPE-YOEHRIQHSA-N 0 0 302.370 3.248 10 30 DGEERN CC[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000311687351 656011267 /nfs/dbraw/zinc/01/12/67/656011267.db2.gz OANWAUTXHSPOII-YPMHNXCESA-N 0 0 323.190 3.074 10 30 DGEERN N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715796911 661214647 /nfs/dbraw/zinc/21/46/47/661214647.db2.gz OXYIXFCDNNBMCE-PRHODGIISA-N 0 0 313.170 3.076 10 30 DGEERN Cc1cccc(CCCOCCOC(=O)c2cccc(C#N)c2)n1 ZINC000066780535 656048282 /nfs/dbraw/zinc/04/82/82/656048282.db2.gz DOVQCECGAKFWBC-UHFFFAOYSA-N 0 0 324.380 3.068 10 30 DGEERN CC(=O)c1ccc(OCCCC(=O)OCC(C)(C)C#N)cc1 ZINC000183154101 656111317 /nfs/dbraw/zinc/11/13/17/656111317.db2.gz DIXDJBAAPCRAGN-UHFFFAOYSA-N 0 0 303.358 3.141 10 30 DGEERN N#CC1(COC(=O)C23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000183964704 656116371 /nfs/dbraw/zinc/11/63/71/656116371.db2.gz SUVAYWOQFCLIPC-UHFFFAOYSA-N 0 0 303.402 3.066 10 30 DGEERN CC[C@@H](CC#N)OC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000188079269 656143373 /nfs/dbraw/zinc/14/33/73/656143373.db2.gz VPPCRLNOJHJNMA-NSHDSACASA-N 0 0 301.264 3.320 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000188058900 656143515 /nfs/dbraw/zinc/14/35/15/656143515.db2.gz UVDFHYMNPIPBDT-GOEBONIOSA-N 0 0 303.358 3.093 10 30 DGEERN C[C@@H]1COc2ccccc2CN1C(=O)N[C@@H]1COc2ccccc21 ZINC000329442482 656146006 /nfs/dbraw/zinc/14/60/06/656146006.db2.gz KGIYPRLDGZFFEQ-CZUORRHYSA-N 0 0 324.380 3.317 10 30 DGEERN Cc1cc(C(=O)CN(C)CCC#N)c(C)n1-c1ccc(F)cc1 ZINC000123127186 656167895 /nfs/dbraw/zinc/16/78/95/656167895.db2.gz LZJGMIRNOWFPEZ-UHFFFAOYSA-N 0 0 313.376 3.261 10 30 DGEERN CC(C)(CCC#N)COC(=O)CCCc1nc(C2CC2)no1 ZINC000195063605 656208324 /nfs/dbraw/zinc/20/83/24/656208324.db2.gz JCUZJCUXRQQDBM-UHFFFAOYSA-N 0 0 305.378 3.143 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cncc(Br)c1 ZINC000195069133 656208451 /nfs/dbraw/zinc/20/84/51/656208451.db2.gz ZALCRLCLYCOORO-UHFFFAOYSA-N 0 0 311.179 3.331 10 30 DGEERN COCCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000195280963 656248101 /nfs/dbraw/zinc/24/81/01/656248101.db2.gz PZEDLTFDQMLVPN-LLVKDONJSA-N 0 0 321.327 3.424 10 30 DGEERN C=CCC[C@@H](OC(=O)c1nc(-c2cnn(C)c2)oc1C)C1CC1 ZINC000178810882 657069782 /nfs/dbraw/zinc/06/97/82/657069782.db2.gz SZNCRJDNPHOMOH-CQSZACIVSA-N 0 0 315.373 3.285 10 30 DGEERN O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cc(O)cc(O)c1 ZINC000178880084 657094491 /nfs/dbraw/zinc/09/44/91/657094491.db2.gz IASWKHFFCWRDID-VOTSOKGWSA-N 0 0 306.321 3.384 10 30 DGEERN O=C(Nc1cnc2c(c1)CCCC2)N[C@H]1COc2ccccc21 ZINC000329473054 657156873 /nfs/dbraw/zinc/15/68/73/657156873.db2.gz SMVBUFNNLPAWQU-INIZCTEOSA-N 0 0 309.369 3.229 10 30 DGEERN CC#CCCCC(=O)O[C@H](C)c1sc(CCOC)nc1C ZINC000183759458 657381594 /nfs/dbraw/zinc/38/15/94/657381594.db2.gz XHSULUPKDBLSGY-CYBMUJFWSA-N 0 0 309.431 3.438 10 30 DGEERN C#CCCOc1ccc(/C=C2/N=C(c3ccsc3)OC2=O)cc1 ZINC000063439072 657383160 /nfs/dbraw/zinc/38/31/60/657383160.db2.gz BIFVNQSMHQIVHX-LFIBNONCSA-N 0 0 323.373 3.495 10 30 DGEERN C#CCCCCCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000185332284 657394573 /nfs/dbraw/zinc/39/45/73/657394573.db2.gz YVDWQTWTPMMQMR-UHFFFAOYSA-N 0 0 307.371 3.424 10 30 DGEERN N#Cc1c(F)cccc1OS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000179015228 657402871 /nfs/dbraw/zinc/40/28/71/657402871.db2.gz OKLVOQMEOFHXBS-CMDGGOBGSA-N 0 0 321.304 3.216 10 30 DGEERN CCOc1cc(C=NO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000250380831 657468441 /nfs/dbraw/zinc/46/84/41/657468441.db2.gz IGWDSCGGTZYQDG-UHFFFAOYSA-N 0 0 316.313 3.381 10 30 DGEERN COc1ccc(/C=C2\S/C(=N\Cc3ccco3)NC2=O)cc1 ZINC000096577769 657534901 /nfs/dbraw/zinc/53/49/01/657534901.db2.gz GSBXNDNIRGRBKE-ZROIWOOFSA-N 0 0 314.366 3.048 10 30 DGEERN C[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)CCO1 ZINC000720455006 657751113 /nfs/dbraw/zinc/75/11/13/657751113.db2.gz PWSSHMHWEHSSOE-SECBINFHSA-N 0 0 313.170 3.075 10 30 DGEERN C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCCO1 ZINC000720591273 657947862 /nfs/dbraw/zinc/94/78/62/657947862.db2.gz DPKUMTJSPWMPHB-TVQRCGJNSA-N 0 0 323.190 3.074 10 30 DGEERN C[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCCO1 ZINC000720616305 658018955 /nfs/dbraw/zinc/01/89/55/658018955.db2.gz KIEQVLVUDXGBIF-TVQRCGJNSA-N 0 0 323.190 3.074 10 30 DGEERN C[C@@H](C(=O)O[C@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000156390085 658918030 /nfs/dbraw/zinc/91/80/30/658918030.db2.gz GGFJAZULYXDYCA-NOZJJQNGSA-N 0 0 308.175 3.398 10 30 DGEERN C#CCCCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000156536793 658925354 /nfs/dbraw/zinc/92/53/54/658925354.db2.gz VREQZCLNCILNEP-UHFFFAOYSA-N 0 0 309.413 3.082 10 30 DGEERN COC1(C(=O)OC[C@H](C#N)Cc2ccccc2)CCCCC1 ZINC000187659565 659044147 /nfs/dbraw/zinc/04/41/47/659044147.db2.gz PWIKZZIXAFPZSB-INIZCTEOSA-N 0 0 301.386 3.261 10 30 DGEERN CCc1nc(CN[C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000171768396 659297917 /nfs/dbraw/zinc/29/79/17/659297917.db2.gz ZCLPZACDKIAQQW-GFCCVEGCSA-N 0 0 301.415 3.459 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000171821930 659301545 /nfs/dbraw/zinc/30/15/45/659301545.db2.gz NQGCSJZDBCDHNC-OAHLLOKOSA-N 0 0 308.381 3.084 10 30 DGEERN Cc1c(C(=O)OCCCC#N)cnn1-c1ccccc1Cl ZINC000171970544 659308648 /nfs/dbraw/zinc/30/86/48/659308648.db2.gz VUABTYSCXQMLPY-UHFFFAOYSA-N 0 0 303.749 3.295 10 30 DGEERN N#C[C@@H](COC(=O)CCc1cscn1)Cc1ccc(F)cc1 ZINC000172024157 659312333 /nfs/dbraw/zinc/31/23/33/659312333.db2.gz PBIMIUIYENDWBK-ZDUSSCGKSA-N 0 0 318.373 3.140 10 30 DGEERN C=C(Br)CNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000172118737 659317187 /nfs/dbraw/zinc/31/71/87/659317187.db2.gz XBSFSCVNQFOBAL-UHFFFAOYSA-N 0 0 303.244 3.363 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1nc(-c2ccoc2)no1 ZINC000172924500 659363324 /nfs/dbraw/zinc/36/33/24/659363324.db2.gz GNPRYFRIFHUHAT-UHFFFAOYSA-N 0 0 313.288 3.093 10 30 DGEERN N#Cc1ccc(OCCNC(=O)/C=C/Sc2ccccc2)cc1 ZINC000173904501 659405743 /nfs/dbraw/zinc/40/57/43/659405743.db2.gz QEPYHWCUEPYZTO-JLHYYAGUSA-N 0 0 324.405 3.359 10 30 DGEERN N#C[C@@H](COC(=O)CCC1CCOCC1)Cc1ccc(F)cc1 ZINC000174118126 659413286 /nfs/dbraw/zinc/41/32/86/659413286.db2.gz LKLWWBXLUVHDDB-INIZCTEOSA-N 0 0 319.376 3.258 10 30 DGEERN CC(C)Cn1ccnc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000174454825 659434606 /nfs/dbraw/zinc/43/46/06/659434606.db2.gz IEPMKXDPWHKYGE-HNNXBMFYSA-N 0 0 312.417 3.120 10 30 DGEERN COc1ccc(SCCC(=O)OCC2(CC#N)CC2)cc1 ZINC000174736247 659576502 /nfs/dbraw/zinc/57/65/02/659576502.db2.gz BSYVKGYFRHQWAW-UHFFFAOYSA-N 0 0 305.399 3.414 10 30 DGEERN CCc1cccc(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000152299138 659581226 /nfs/dbraw/zinc/58/12/26/659581226.db2.gz JEIRFPIZSMVYSF-GOSISDBHSA-N 0 0 320.392 3.448 10 30 DGEERN C=CCC[C@H](C)OC(=O)CN1c2ccccc2SCC1=O ZINC000089320941 659617792 /nfs/dbraw/zinc/61/77/92/659617792.db2.gz GCEMEYFYEMGRRX-LBPRGKRZSA-N 0 0 305.399 3.023 10 30 DGEERN C=C(C)CCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000174795973 659677506 /nfs/dbraw/zinc/67/75/06/659677506.db2.gz DNJFWSUQDSKZDR-NVXWUHKLSA-N 0 0 301.386 3.106 10 30 DGEERN C=CCc1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)cc(OC)c1OC ZINC000175225083 659917489 /nfs/dbraw/zinc/91/74/89/659917489.db2.gz SADGDHFPHRYNFA-GXTWGEPZSA-N 0 0 320.385 3.014 10 30 DGEERN C=CCc1cc(C(=O)O[C@@H](C)[C@H]2CCOC2)cc(OC)c1OC ZINC000175225116 659917653 /nfs/dbraw/zinc/91/76/53/659917653.db2.gz SADGDHFPHRYNFA-JSGCOSHPSA-N 0 0 320.385 3.014 10 30 DGEERN COc1cccc(CC(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000175383668 659919543 /nfs/dbraw/zinc/91/95/43/659919543.db2.gz RETFXHRZRHJNHX-QGZVFWFLSA-N 0 0 309.365 3.163 10 30 DGEERN COc1ccc(COc2c(F)cc(C=O)cc2F)cc1C#N ZINC000175491054 659923103 /nfs/dbraw/zinc/92/31/03/659923103.db2.gz MFKKSWWIPVWIOH-UHFFFAOYSA-N 0 0 303.264 3.237 10 30 DGEERN Cc1ccc(CCC(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000067929156 659931896 /nfs/dbraw/zinc/93/18/96/659931896.db2.gz DJEXFZVFCMYFGG-UHFFFAOYSA-N 0 0 308.381 3.146 10 30 DGEERN N#C[C@@H](COC(=O)COCc1ccccc1)Cc1cccs1 ZINC000180095400 659951917 /nfs/dbraw/zinc/95/19/17/659951917.db2.gz DXUFAQKFUCNMLG-HNNXBMFYSA-N 0 0 315.394 3.190 10 30 DGEERN C=C[C@@H](CC)OC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000181237687 659988858 /nfs/dbraw/zinc/98/88/58/659988858.db2.gz SSZGVWOBZIUMKP-SMDDNHRTSA-N 0 0 311.328 3.040 10 30 DGEERN C=C[C@H](CC)OC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000181238832 659988943 /nfs/dbraw/zinc/98/89/43/659988943.db2.gz SJENLGRLPXWJDP-WBVHZDCISA-N 0 0 301.386 3.030 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCCOc1ccnc(Cl)c1 ZINC000181336365 659994599 /nfs/dbraw/zinc/99/45/99/659994599.db2.gz CRTYJFQPSABUQD-UHFFFAOYSA-N 0 0 316.744 3.151 10 30 DGEERN C#CCOc1cccc(COC(=O)c2sccc2COC)c1 ZINC000181682718 660015282 /nfs/dbraw/zinc/01/52/82/660015282.db2.gz ZEXQDUZZNZJWQD-UHFFFAOYSA-N 0 0 316.378 3.264 10 30 DGEERN C#CCN(C(=O)c1ccnc(O[C@@H](C)CC)c1)C1CCCC1 ZINC000181779915 660019456 /nfs/dbraw/zinc/01/94/56/660019456.db2.gz FOLNVOKBBROODX-AWEZNQCLSA-N 0 0 300.402 3.277 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182024158 660031277 /nfs/dbraw/zinc/03/12/77/660031277.db2.gz TZOJIFJFERKIBU-SUMWQHHRSA-N 0 0 310.438 3.247 10 30 DGEERN COc1ccc(OC)c(/C=C/C(=O)c2cc(O)ccc2OC)c1 ZINC000182293971 660041749 /nfs/dbraw/zinc/04/17/49/660041749.db2.gz URIJCZYPVDWETF-QPJJXVBHSA-N 0 0 314.337 3.314 10 30 DGEERN C=C(C)COC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000182878223 660086285 /nfs/dbraw/zinc/08/62/85/660086285.db2.gz LBUYNYHLFHOCMO-UHFFFAOYSA-N 0 0 313.382 3.279 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000183632966 660127565 /nfs/dbraw/zinc/12/75/65/660127565.db2.gz JOWNIGSMWVSIJW-KKUMJFAQSA-N 0 0 318.417 3.207 10 30 DGEERN CCC(CC)n1nc(C)cc1C(=O)OCC1(C#N)CCOCC1 ZINC000183971915 660150823 /nfs/dbraw/zinc/15/08/23/660150823.db2.gz YKVJTGZBHUNMRB-UHFFFAOYSA-N 0 0 319.405 3.030 10 30 DGEERN C=CCOc1ccc(C(=O)OC2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000184341509 660163812 /nfs/dbraw/zinc/16/38/12/660163812.db2.gz PVKFOKBQMZJMQW-STQMWFEESA-N 0 0 320.385 3.373 10 30 DGEERN C=C(Br)CNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184473833 660169305 /nfs/dbraw/zinc/16/93/05/660169305.db2.gz DDPICYUPZWENJT-UHFFFAOYSA-N 0 0 321.174 3.288 10 30 DGEERN C=CCCC(=O)O[C@H](CC(=O)OCC)c1ccc(F)c(F)c1 ZINC000184532859 660171535 /nfs/dbraw/zinc/17/15/35/660171535.db2.gz GHUBFQLSXLWNNL-CQSZACIVSA-N 0 0 312.312 3.469 10 30 DGEERN COc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000041516841 661835160 /nfs/dbraw/zinc/83/51/60/661835160.db2.gz WFABQKLCRYOPSF-FZMZJTMJSA-N 0 0 316.382 3.104 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](CC(=O)OC)c2ccccc2)c1 ZINC000043984903 661852515 /nfs/dbraw/zinc/85/25/15/661852515.db2.gz XBGQIXQKTOEKCO-KRWDZBQOSA-N 0 0 322.364 3.094 10 30 DGEERN C=CCC[C@H](OC(=O)CCS(=O)(=O)C1CCCC1)C1CC1 ZINC000159638577 661892004 /nfs/dbraw/zinc/89/20/04/661892004.db2.gz CYXRFNTYPPJGPZ-HNNXBMFYSA-N 0 0 314.447 3.022 10 30 DGEERN N#C[C@@H](C(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 ZINC000048789666 661895976 /nfs/dbraw/zinc/89/59/76/661895976.db2.gz BOCYVWJGALEVBS-INIZCTEOSA-N 0 0 315.376 3.471 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000187944078 661909191 /nfs/dbraw/zinc/90/91/91/661909191.db2.gz ZTEHDVZRAXKVCR-HNNXBMFYSA-N 0 0 301.390 3.311 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000188110465 661916104 /nfs/dbraw/zinc/91/61/04/661916104.db2.gz CINFVGLGQSQCBG-HOCLYGCPSA-N 0 0 303.358 3.093 10 30 DGEERN C=CC[C@]1(C(=O)N2CCC[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000188482413 661932451 /nfs/dbraw/zinc/93/24/51/661932451.db2.gz RHNDMOCBTOTBQC-RDTXWAMCSA-N 0 0 322.449 3.343 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2ccc(C#N)cc2)c1 ZINC000075482835 661932955 /nfs/dbraw/zinc/93/29/55/661932955.db2.gz QNKUICHVTQKBOE-SJKOYZFVSA-N 0 0 320.348 3.372 10 30 DGEERN C=CC[C@@H](OC(=O)CCNC(=O)CC(C)C)c1ccccc1 ZINC000189242308 661970173 /nfs/dbraw/zinc/97/01/73/661970173.db2.gz KEIMYZPZUCVVJB-MRXNPFEDSA-N 0 0 303.402 3.399 10 30 DGEERN COc1cccc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)c1 ZINC000078007515 662049302 /nfs/dbraw/zinc/04/93/02/662049302.db2.gz GOXNZKLSKLNPCA-VOTSOKGWSA-N 0 0 303.321 3.111 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1oc(CC(C)C)nc1C ZINC000191077059 662053609 /nfs/dbraw/zinc/05/36/09/662053609.db2.gz FGIZALMTKPYORL-UHFFFAOYSA-N 0 0 313.353 3.413 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(C(F)(F)F)nc1 ZINC000191093256 662053755 /nfs/dbraw/zinc/05/37/55/662053755.db2.gz ZTYIVCOQMWESLA-CQSZACIVSA-N 0 0 317.307 3.486 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)Cc1ccc(OC)c(F)c1 ZINC000191093005 662053925 /nfs/dbraw/zinc/05/39/25/662053925.db2.gz NXSOLPWDCVVZRG-QGZVFWFLSA-N 0 0 310.365 3.149 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000191105140 662054416 /nfs/dbraw/zinc/05/44/16/662054416.db2.gz PXFPCQNYAFEAPS-MRXNPFEDSA-N 0 0 307.346 3.289 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000191171668 662056034 /nfs/dbraw/zinc/05/60/34/662056034.db2.gz XLNNCLAPHUBLNC-SFHVURJKSA-N 0 0 322.401 3.398 10 30 DGEERN C=CCC1(C(=O)OC[C@@H]2CC(=O)N(c3ccccc3)C2)CCC1 ZINC000192235715 662092827 /nfs/dbraw/zinc/09/28/27/662092827.db2.gz IXMKMFORUOUJPN-OAHLLOKOSA-N 0 0 313.397 3.329 10 30 DGEERN COc1ccc(CC(=O)OC[C@H](C#N)Cc2ccccc2)cc1 ZINC000079212346 662103932 /nfs/dbraw/zinc/10/39/32/662103932.db2.gz RUJNMOYTXVECMA-KRWDZBQOSA-N 0 0 309.365 3.163 10 30 DGEERN C[C@@H](Oc1ccccc1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079223164 662104589 /nfs/dbraw/zinc/10/45/89/662104589.db2.gz QHEVRIOENONGEM-NVXWUHKLSA-N 0 0 309.365 3.380 10 30 DGEERN C=CCc1ccccc1OC(=O)CCc1nnc(C(C)C)o1 ZINC000080254310 662134117 /nfs/dbraw/zinc/13/41/17/662134117.db2.gz RJFJNSGNZLOJRT-UHFFFAOYSA-N 0 0 300.358 3.460 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C#N)C(C)C ZINC000080387371 662139112 /nfs/dbraw/zinc/13/91/12/662139112.db2.gz IUWSNQBMSFIJMA-INIZCTEOSA-N 0 0 305.422 3.180 10 30 DGEERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCC(C)(C)CCC#N)C1 ZINC000195060269 662177487 /nfs/dbraw/zinc/17/74/87/662177487.db2.gz KDFRCQTWMKKJHI-AWEZNQCLSA-N 0 0 322.449 3.144 10 30 DGEERN C[S@@](=O)Cc1cccc(C(=O)OCC(C)(C)CCC#N)c1 ZINC000195071912 662177917 /nfs/dbraw/zinc/17/79/17/662177917.db2.gz LYYQORDQNSJWMO-OAQYLSRUSA-N 0 0 307.415 3.052 10 30 DGEERN C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000083939668 662197972 /nfs/dbraw/zinc/19/79/72/662197972.db2.gz SXYFJXIVIDRHMA-JTQLQIEISA-N 0 0 315.350 3.309 10 30 DGEERN N#Cc1ccc2ncc(/C=C/C(=O)c3cc(F)cc(F)c3)n2c1 ZINC000088305061 662230257 /nfs/dbraw/zinc/23/02/57/662230257.db2.gz UQLGWXJJAYLHPH-NSCUHMNNSA-N 0 0 309.275 3.380 10 30 DGEERN N#C[C@H](COC(=O)C[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000088807898 662235155 /nfs/dbraw/zinc/23/51/55/662235155.db2.gz JDIBKELSGSEWGE-ZBFHGGJFSA-N 0 0 305.349 3.010 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000089317786 662241714 /nfs/dbraw/zinc/24/17/14/662241714.db2.gz YKWVAMQHOZNRFM-ZFWWWQNUSA-N 0 0 321.442 3.180 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000089319534 662241775 /nfs/dbraw/zinc/24/17/75/662241775.db2.gz PAWBFDNQXZISHW-KBPBESRZSA-N 0 0 305.374 3.172 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000089319026 662241914 /nfs/dbraw/zinc/24/19/14/662241914.db2.gz NVEMMCKBTXVOGL-OCCSQVGLSA-N 0 0 309.431 3.400 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000089320450 662242070 /nfs/dbraw/zinc/24/20/70/662242070.db2.gz JDSPZMLZGQHMDF-CXAGYDPISA-N 0 0 319.401 3.160 10 30 DGEERN CC(C)c1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 ZINC000089647999 662246015 /nfs/dbraw/zinc/24/60/15/662246015.db2.gz HJRGYFGFBKAVSH-UHFFFAOYSA-N 0 0 315.398 3.350 10 30 DGEERN COc1ccc(COCCCC(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000089966726 662251140 /nfs/dbraw/zinc/25/11/40/662251140.db2.gz UEVZFEAMTRBDIH-QGZVFWFLSA-N 0 0 324.380 3.263 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1cnc([C@H]2CCCO2)s1 ZINC000089967521 662251221 /nfs/dbraw/zinc/25/12/21/662251221.db2.gz QGZNAMVBLNYJIX-CQSZACIVSA-N 0 0 313.378 3.203 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)c1cccc(OC)c1F ZINC000090615769 662268938 /nfs/dbraw/zinc/26/89/38/662268938.db2.gz YMNXHOTZUBTGQA-UHFFFAOYSA-N 0 0 317.291 3.238 10 30 DGEERN CCc1nnc(NCc2ncc(Cl)s2)c(C#N)c1CC ZINC000719385039 662279177 /nfs/dbraw/zinc/27/91/77/662279177.db2.gz JLQLGGCXRFQXKW-UHFFFAOYSA-N 0 0 307.810 3.195 10 30 DGEERN Cn1cc(C#N)cc1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000091761091 662317627 /nfs/dbraw/zinc/31/76/27/662317627.db2.gz GJNQIQAXXNIYCD-HNNXBMFYSA-N 0 0 323.377 3.300 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1c(CC)nn(C)c1CC ZINC000092136238 662328213 /nfs/dbraw/zinc/32/82/13/662328213.db2.gz FYBQZWKMTVSJAI-UHFFFAOYSA-N 0 0 315.392 3.308 10 30 DGEERN C#CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C1CCCC1 ZINC000093819779 662360144 /nfs/dbraw/zinc/36/01/44/662360144.db2.gz PITJEZSVWRDARD-UHFFFAOYSA-N 0 0 303.402 3.090 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000249063893 662364132 /nfs/dbraw/zinc/36/41/32/662364132.db2.gz IJMYQJPNYLPKPK-PMUMKWKESA-N 0 0 324.465 3.398 10 30 DGEERN N#C[C@@H](COC(=O)Cc1cccc(F)c1)Cc1ccc(F)cc1 ZINC000065500202 685055818 /nfs/dbraw/zinc/05/58/18/685055818.db2.gz MJQRAXZIHZEVHA-HNNXBMFYSA-N 0 0 315.319 3.433 10 30 DGEERN C=CCCCOC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000177651825 685108983 /nfs/dbraw/zinc/10/89/83/685108983.db2.gz CKMOBFGAWHVSMF-UHFFFAOYSA-N 0 0 317.414 3.177 10 30 DGEERN CCOCc1nc(Cl)cc(Oc2cccc(F)c2C#N)n1 ZINC000129586993 1176450490 /nfs/dbraw/zinc/45/04/90/1176450490.db2.gz DZEXVJCWPXTCAM-UHFFFAOYSA-N 0 0 307.712 3.470 10 30 DGEERN Cc1cn2cc(NC(=O)c3ncoc3[C@H]3CCCO3)ccc2n1 ZINC000329317287 1176999817 /nfs/dbraw/zinc/99/98/17/1176999817.db2.gz SJVWYIDCXWKUNZ-GFCCVEGCSA-N 0 0 312.329 3.119 10 30 DGEERN O=C(Cn1ncc(=O)c2ccccc21)N[C@H]1CC12CCCCC2 ZINC000329097458 1177001033 /nfs/dbraw/zinc/00/10/33/1177001033.db2.gz CGUDQUWCMXRDQX-INIZCTEOSA-N 0 0 311.385 3.076 10 30 DGEERN CO[C@H]1CCN(c2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC000385349161 1177160650 /nfs/dbraw/zinc/16/06/50/1177160650.db2.gz MWZNIYBKIZTEOE-GWCFXTLKSA-N 0 0 309.207 3.324 10 30 DGEERN COc1ccc(/C=C(/C)C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000588447934 1177220273 /nfs/dbraw/zinc/22/02/73/1177220273.db2.gz ZHDWYUKRUCUKOP-AKXMXHFNSA-N 0 0 303.333 3.473 10 30 DGEERN C#Cc1cccc(NC(=O)NCc2ccnc(OCC3CC3)c2)c1 ZINC000067538932 1195642949 /nfs/dbraw/zinc/64/29/49/1195642949.db2.gz VDRLQTUPMTVTSO-UHFFFAOYSA-N 0 0 321.380 3.173 10 30 DGEERN C#Cc1cccc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c1 ZINC000324246974 1197692827 /nfs/dbraw/zinc/69/28/27/1197692827.db2.gz JRAQWYYGRRKZDD-UHFFFAOYSA-N 0 0 316.263 3.415 10 30 DGEERN C=C[C@@H](C)ONC(=O)c1cc(Cl)ccc1Br ZINC000400946270 1199374983 /nfs/dbraw/zinc/37/49/83/1199374983.db2.gz SDXWAOHTKXIXBG-SSDOTTSWSA-N 0 0 304.571 3.338 10 30 DGEERN C=C(C)CONC(=O)c1ccc(Br)c(Cl)c1 ZINC000400997221 1199379417 /nfs/dbraw/zinc/37/94/17/1199379417.db2.gz SSBILXAJOONCCZ-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN CC[C@@H]1CN(c2cc(Br)ccc2C#N)[C@H](C)CO1 ZINC000403907887 1199528729 /nfs/dbraw/zinc/52/87/29/1199528729.db2.gz XQQACVKZQFLZEY-ZWNOBZJWSA-N 0 0 309.207 3.324 10 30 DGEERN C[C@H](Nc1ccc(C#N)c(Br)c1)c1cnccn1 ZINC000311006293 1199734659 /nfs/dbraw/zinc/73/46/59/1199734659.db2.gz PVGCUZXIPPTOTE-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN C[C@H](O)C[C@@H]1CCCN1c1cc(Br)ccc1C#N ZINC000310627542 1199722116 /nfs/dbraw/zinc/72/21/16/1199722116.db2.gz LAMSNUSEIMOTBB-GWCFXTLKSA-N 0 0 309.207 3.060 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000320135987 1199845366 /nfs/dbraw/zinc/84/53/66/1199845366.db2.gz LDTTZYMXXHAOEE-GXMNPTEKSA-N 0 0 314.212 3.450 10 30 DGEERN C=CCOc1ccc(CNc2cnccc2OC)cc1OC ZINC000119148081 1200029857 /nfs/dbraw/zinc/02/98/57/1200029857.db2.gz VDPUECAUODUSCV-UHFFFAOYSA-N 0 0 300.358 3.276 10 30 DGEERN C=CC1CCN(Cc2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000119681168 1200107709 /nfs/dbraw/zinc/10/77/09/1200107709.db2.gz BCNPLAVRROFCCE-UHFFFAOYSA-N 0 0 301.365 3.198 10 30 DGEERN CN(C[C@H]1CCCCO1)c1cc(Br)ccc1C#N ZINC000123145154 1200276123 /nfs/dbraw/zinc/27/61/23/1200276123.db2.gz CGDJIGDKLOFIMI-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN CN(C[C@@H]1CCCOC1)c1cc(Br)ccc1C#N ZINC000123278150 1200278227 /nfs/dbraw/zinc/27/82/27/1200278227.db2.gz DQJAJKZKUVRWIG-NSHDSACASA-N 0 0 309.207 3.184 10 30 DGEERN CC(C)CN(CCC#N)C(=O)c1cc(Br)ccc1N ZINC000123807681 1200291185 /nfs/dbraw/zinc/29/11/85/1200291185.db2.gz MVQJVWGTODXWFQ-UHFFFAOYSA-N 0 0 324.222 3.043 10 30 DGEERN C=CCOc1cccc(CNc2cnn(-c3ccccn3)c2)c1 ZINC000124574625 1200355238 /nfs/dbraw/zinc/35/52/38/1200355238.db2.gz OGFMJKRTHCSTII-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN COC[C@H]1CCCN(c2cc(Br)ccc2C#N)C1 ZINC000234846040 1202603978 /nfs/dbraw/zinc/60/39/78/1202603978.db2.gz WFNGPPFSMKHRGE-NSHDSACASA-N 0 0 309.207 3.184 10 30 DGEERN C[C@@H](Nc1cc(Br)ccc1C#N)c1cnccn1 ZINC000235219873 1202604279 /nfs/dbraw/zinc/60/42/79/1202604279.db2.gz LOABIPKRRAPBBD-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cncc(Br)c1 ZINC000189618014 1203274874 /nfs/dbraw/zinc/27/48/74/1203274874.db2.gz LYGOHWNSTKYXMH-ZDUSSCGKSA-N 0 0 313.195 3.011 10 30 DGEERN CCCCCCCCC(=O)Nc1cccc(CC(=O)OC)n1 ZINC000190122054 1203276756 /nfs/dbraw/zinc/27/67/56/1203276756.db2.gz OQRHXDYHQZDPSN-UHFFFAOYSA-N 0 0 306.406 3.486 10 30 DGEERN C=CCC1(C(=O)NCc2ccnc(OCC3CC3)c2)CCC1 ZINC000191536370 1203285319 /nfs/dbraw/zinc/28/53/19/1203285319.db2.gz WHWRGQLDNPTZHW-UHFFFAOYSA-N 0 0 300.402 3.233 10 30 DGEERN COc1ccc(/C(C)=C/C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000176510865 1203932221 /nfs/dbraw/zinc/93/22/21/1203932221.db2.gz HKRRWYRCOOBJBJ-UKTHLTGXSA-N 0 0 324.355 3.426 10 30 DGEERN C=CCC[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000178742248 1204294106 /nfs/dbraw/zinc/29/41/06/1204294106.db2.gz LVDAWVFGRRJKDH-MRXNPFEDSA-N 0 0 320.396 3.255 10 30 DGEERN N#C[C@@H]1CC[C@H](OC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000179900068 1204324161 /nfs/dbraw/zinc/32/41/61/1204324161.db2.gz WVQCQTBNIBHNMS-ABAIWWIYSA-N 0 0 315.760 3.375 10 30 DGEERN C/C=C/c1ccc(OCC(=O)O[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000179885481 1204324365 /nfs/dbraw/zinc/32/43/65/1204324365.db2.gz QTHQWLOQIKRHNW-NMONBKHDSA-N 0 0 315.369 3.343 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)/C=C\c1ccccc1)CCCC2 ZINC000588384293 1082096390 /nfs/dbraw/zinc/09/63/90/1082096390.db2.gz CXCQXAHOVXCYHL-KHPPLWFESA-N 0 0 303.365 3.484 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1cc(C)c(Br)s1 ZINC000081728646 1082247931 /nfs/dbraw/zinc/24/79/31/1082247931.db2.gz SCDJTYNPDQYYRZ-QMMMGPOBSA-N 0 0 301.209 3.241 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000588456799 1082334982 /nfs/dbraw/zinc/33/49/82/1082334982.db2.gz CHELLNOLFDVQIJ-CFYYFVFUSA-N 0 0 316.364 3.166 10 30 DGEERN O=C1c2cccc(Br)c2OC/C1=C/c1cocn1 ZINC000588579678 1082734448 /nfs/dbraw/zinc/73/44/48/1082734448.db2.gz VZIIRTSVAJQLSS-YWEYNIOJSA-N 0 0 306.115 3.096 10 30 DGEERN Cc1cc(Br)c2c(c1)C(=O)/C(=C/c1cocn1)CO2 ZINC000588579911 1082735830 /nfs/dbraw/zinc/73/58/30/1082735830.db2.gz YGZZMSBSJKBZKU-RUDMXATFSA-N 0 0 320.142 3.404 10 30 DGEERN Cn1c(=O)sc2cc(/C=C3/Cc4c(cccc4O)C3=O)ccc21 ZINC000588590146 1082824082 /nfs/dbraw/zinc/82/40/82/1082824082.db2.gz BTVWOBHOIIVSDX-XFFZJAGNSA-N 0 0 323.373 3.128 10 30 DGEERN COc1cccc(/C=C\C(=O)c2cc(O)ccc2OC)c1F ZINC000588619100 1082864399 /nfs/dbraw/zinc/86/43/99/1082864399.db2.gz JZACBIRSYKSRAO-VURMDHGXSA-N 0 0 302.301 3.445 10 30 DGEERN N#Cc1ccc(NC(=O)N2CCC=C(Br)C2)cc1 ZINC000404488369 1094259681 /nfs/dbraw/zinc/25/96/81/1094259681.db2.gz YMAWOOKQLRUNNT-UHFFFAOYSA-N 0 0 306.163 3.075 10 30 DGEERN N#CCc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000313405430 1095010187 /nfs/dbraw/zinc/01/01/87/1095010187.db2.gz BYXAAEPGNSDHIE-UHFFFAOYSA-N 0 0 305.131 3.360 10 30 DGEERN C=CC[C@H](CO)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000320177697 1095529938 /nfs/dbraw/zinc/52/99/38/1095529938.db2.gz RSQBBFBDYQPZPC-DSYXLKISSA-N 0 0 300.185 3.060 10 30 DGEERN C=CCCCN(C)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000077572991 334927173 /nfs/dbraw/zinc/92/71/73/334927173.db2.gz ZDZXCTDCAGIHOH-UHFFFAOYSA-N 0 0 301.434 3.263 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000278308716 214080986 /nfs/dbraw/zinc/08/09/86/214080986.db2.gz TUILAAMABWWARZ-UKRRQHHQSA-N 0 0 315.398 3.125 10 30 DGEERN COc1ccc(Br)cc1CN[C@@H]1CCC[C@H]1C#N ZINC000061891770 432003204 /nfs/dbraw/zinc/00/32/04/432003204.db2.gz BZASJOHOXVZBMS-GXFFZTMASA-N 0 0 309.207 3.240 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278620030 214281186 /nfs/dbraw/zinc/28/11/86/214281186.db2.gz WYGIRWAPRNABKJ-ZWNOBZJWSA-N 0 0 310.737 3.168 10 30 DGEERN COc1ccc(Br)cc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061891768 432003361 /nfs/dbraw/zinc/00/33/61/432003361.db2.gz BZASJOHOXVZBMS-ZWNOBZJWSA-N 0 0 309.207 3.240 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000129309764 432003877 /nfs/dbraw/zinc/00/38/77/432003877.db2.gz XPVUOPGVYBYVTP-OAHLLOKOSA-N 0 0 314.348 3.243 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000278707242 214342151 /nfs/dbraw/zinc/34/21/51/214342151.db2.gz IVOXGHGOZZQRPF-ZIAGYGMSSA-N 0 0 322.474 3.081 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000183793405 529448109 /nfs/dbraw/zinc/44/81/09/529448109.db2.gz BGYGKVUHNQNJBA-JTQLQIEISA-N 0 0 303.749 3.417 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSCCC ZINC000062889271 432004915 /nfs/dbraw/zinc/00/49/15/432004915.db2.gz DOTCCMYFZIURMG-UHFFFAOYSA-N 0 0 308.403 3.253 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN1CCCSCC1 ZINC000089983464 185274491 /nfs/dbraw/zinc/27/44/91/185274491.db2.gz UIRNDOIERMMMBP-UHFFFAOYSA-N 0 0 322.499 3.342 10 30 DGEERN C=CCN(Cc1nnc(C2CC2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381133 432005681 /nfs/dbraw/zinc/00/56/81/432005681.db2.gz KFHLYEUEJHOWQB-UHFFFAOYSA-N 0 0 314.345 3.043 10 30 DGEERN CC(C)(CC#CI)O[C@H]1CCCCO1 ZINC000090560440 185303550 /nfs/dbraw/zinc/30/35/50/185303550.db2.gz QTEXONRNODECRC-JTQLQIEISA-N 0 0 308.159 3.094 10 30 DGEERN Cn1cc(COc2ccc(Oc3ncccc3C#N)cc2)cn1 ZINC000095407608 185356353 /nfs/dbraw/zinc/35/63/53/185356353.db2.gz IERBXXDCKUTNEM-UHFFFAOYSA-N 0 0 306.325 3.058 10 30 DGEERN CCc1nccn1[C@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000302127109 529761402 /nfs/dbraw/zinc/76/14/02/529761402.db2.gz WSKYCANUYGVPAL-KRWDZBQOSA-N 0 0 322.412 3.361 10 30 DGEERN CC(C)(O)C#C[C@](O)(c1ccccc1)c1ccc(Cl)cc1 ZINC000169343467 197744681 /nfs/dbraw/zinc/74/46/81/197744681.db2.gz QMAFJXRGSBWRPF-SFHVURJKSA-N 0 0 300.785 3.350 10 30 DGEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccc2ccccc2c1 ZINC000104107271 432014389 /nfs/dbraw/zinc/01/43/89/432014389.db2.gz IGLAXZFKEZNNRS-CYBMUJFWSA-N 0 0 302.399 3.124 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000130099360 432015276 /nfs/dbraw/zinc/01/52/76/432015276.db2.gz WZMQUKZIVNYKNZ-YJBOKZPZSA-N 0 0 322.408 3.151 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000277645695 213658553 /nfs/dbraw/zinc/65/85/53/213658553.db2.gz KLJNDJNAMSNWOJ-SFHVURJKSA-N 0 0 321.424 3.429 10 30 DGEERN C[C@H]1CCC[C@H](CCNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000070549227 190905977 /nfs/dbraw/zinc/90/59/77/190905977.db2.gz CQLHBRPSJGBGRH-UONOGXRCSA-N 0 0 306.431 3.053 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000277378489 213481268 /nfs/dbraw/zinc/48/12/68/213481268.db2.gz JPJOGMZTRRSJIM-UHFFFAOYSA-N 0 0 307.315 3.327 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000130441193 432025249 /nfs/dbraw/zinc/02/52/49/432025249.db2.gz NNSUUVBIXGDRIS-OAHLLOKOSA-N 0 0 312.394 3.142 10 30 DGEERN N#Cc1cccc(NC(=S)NC(=O)C=Cc2ccccc2)c1 ZINC000000486351 180805957 /nfs/dbraw/zinc/80/59/57/180805957.db2.gz YEKDAONUNSELMU-MDZDMXLPSA-N 0 0 307.378 3.085 10 30 DGEERN COc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)cc1O ZINC000000493550 180806914 /nfs/dbraw/zinc/80/69/14/180806914.db2.gz PVESIFGDSASIKB-LICLKQGHSA-N 0 0 315.398 3.030 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000173426294 198213028 /nfs/dbraw/zinc/21/30/28/198213028.db2.gz OMGNMABJYAWMSR-HNNXBMFYSA-N 0 0 317.433 3.342 10 30 DGEERN COC(=O)c1ccc(NN=Cc2ccc3ccccc3n2)cc1 ZINC000003964407 181059591 /nfs/dbraw/zinc/05/95/91/181059591.db2.gz QIVATQNNPJAIMO-XDHOZWIPSA-N 0 0 305.337 3.467 10 30 DGEERN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C#N)cs2)c1 ZINC000176886834 198632533 /nfs/dbraw/zinc/63/25/33/198632533.db2.gz KGLVGMMNGVDZFG-SNVBAGLBSA-N 0 0 316.382 3.128 10 30 DGEERN N#CC1(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)CCC1 ZINC000372895612 283042770 /nfs/dbraw/zinc/04/27/70/283042770.db2.gz ONIZEGLWJKWCER-UHFFFAOYSA-N 0 0 313.788 3.331 10 30 DGEERN CCc1onc(C)c1C(=O)Nc1nc2cc(C#N)ccc2n1CC ZINC000131976664 432042818 /nfs/dbraw/zinc/04/28/18/432042818.db2.gz GCVSDWCDPHSIIN-UHFFFAOYSA-N 0 0 323.356 3.039 10 30 DGEERN N#Cc1c(N)sc2c1CCN(c1c(Cl)cccc1C#N)C2 ZINC000301495603 283078612 /nfs/dbraw/zinc/07/86/12/283078612.db2.gz ASZLFBSPSLQPQQ-UHFFFAOYSA-N 0 0 314.801 3.290 10 30 DGEERN C[C@H](NC(=O)/C=C/c1ccccc1C#N)[C@H]1COc2ccccc21 ZINC000179304789 432053383 /nfs/dbraw/zinc/05/33/83/432053383.db2.gz JFDQSPGMKFGASG-LVDURTMUSA-N 0 0 318.376 3.252 10 30 DGEERN CCc1noc(C)c1NC(=O)CSCc1ccc(C#N)cc1 ZINC000132880965 432054203 /nfs/dbraw/zinc/05/42/03/432054203.db2.gz BJXBJLOLQCPZBX-UHFFFAOYSA-N 0 0 315.398 3.289 10 30 DGEERN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C#N)cn2C)cc1 ZINC000080971147 192208010 /nfs/dbraw/zinc/20/80/10/192208010.db2.gz KPUYHZYJAAEMCB-KRWDZBQOSA-N 0 0 323.396 3.273 10 30 DGEERN C(=NNc1ccc2ccccc2n1)c1ccc2c(c1)OCCO2 ZINC000005692907 181273691 /nfs/dbraw/zinc/27/36/91/181273691.db2.gz FDDSKCAAOSZTEC-XDHOZWIPSA-N 0 0 305.337 3.452 10 30 DGEERN COc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1OC ZINC000005782557 181283390 /nfs/dbraw/zinc/28/33/90/181283390.db2.gz FNFFJLSPGNMTAK-MHWRWJLKSA-N 0 0 301.302 3.058 10 30 DGEERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000081547518 192287178 /nfs/dbraw/zinc/28/71/78/192287178.db2.gz PHZVSSRLHDDIDL-GOEBONIOSA-N 0 0 307.397 3.223 10 30 DGEERN N#Cc1ccc(OC2CCN(c3ncc(Cl)cn3)CC2)cc1 ZINC000267106205 283182436 /nfs/dbraw/zinc/18/24/36/283182436.db2.gz QGYNXDBGGIITMI-UHFFFAOYSA-N 0 0 314.776 3.049 10 30 DGEERN COc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000133300940 432059839 /nfs/dbraw/zinc/05/98/39/432059839.db2.gz IZNXHEGFZPVHHG-UHFFFAOYSA-N 0 0 314.772 3.459 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(CC(C)C)[nH]c(=O)c1 ZINC000133507798 432065549 /nfs/dbraw/zinc/06/55/49/432065549.db2.gz POFTYMPVCXGXMD-UHFFFAOYSA-N 0 0 316.323 3.176 10 30 DGEERN N#Cc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180804545 199211480 /nfs/dbraw/zinc/21/14/80/199211480.db2.gz JUIOZGJIIXEVLS-LLVKDONJSA-N 0 0 324.306 3.204 10 30 DGEERN Cc1ccc(CC(=O)Nc2nc3c(cc2C#N)CCCC3)s1 ZINC000187103275 200062189 /nfs/dbraw/zinc/06/21/89/200062189.db2.gz GOCVQHBMNYZPPJ-UHFFFAOYSA-N 0 0 311.410 3.383 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCO[C@H]1C ZINC000190513165 200550515 /nfs/dbraw/zinc/55/05/15/200550515.db2.gz CYXHNYQOVYLNAJ-YOEHRIQHSA-N 0 0 300.402 3.110 10 30 DGEERN Cc1ccc(OCCCC(=O)Nc2cc(C#N)ccn2)c(C)c1 ZINC000435991273 238379984 /nfs/dbraw/zinc/37/99/84/238379984.db2.gz BDEUFSRRDXWRSK-UHFFFAOYSA-N 0 0 309.369 3.368 10 30 DGEERN Cc1cccc2oc(CCNC(=O)c3sccc3C#N)nc21 ZINC000437387326 238632748 /nfs/dbraw/zinc/63/27/48/238632748.db2.gz UROKQNGQSLQXJY-UHFFFAOYSA-N 0 0 311.366 3.042 10 30 DGEERN C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccnc(C#N)c1 ZINC000193843361 201132778 /nfs/dbraw/zinc/13/27/78/201132778.db2.gz NYCMVZBZTDWWKL-IBGZPJMESA-N 0 0 305.381 3.191 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1coc(Br)c1 ZINC000063961892 283675002 /nfs/dbraw/zinc/67/50/02/283675002.db2.gz ZEYODHUBGARTOT-UHFFFAOYSA-N 0 0 305.131 3.475 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000063961938 283675032 /nfs/dbraw/zinc/67/50/32/283675032.db2.gz GLMNPJONQQTBAX-ZDUSSCGKSA-N 0 0 305.337 3.144 10 30 DGEERN CO[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@@H]1C ZINC000189874749 432100862 /nfs/dbraw/zinc/10/08/62/432100862.db2.gz KIVAJIFZWQRUEJ-HZMBPMFUSA-N 0 0 307.781 3.100 10 30 DGEERN COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1C#N ZINC000135146932 432102063 /nfs/dbraw/zinc/10/20/63/432102063.db2.gz ZLVOYDCTOJQZPN-KRWDZBQOSA-N 0 0 314.410 3.202 10 30 DGEERN CCCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCc2ccccc21 ZINC000448825007 239900441 /nfs/dbraw/zinc/90/04/41/239900441.db2.gz PRUMJZCFTLQTPJ-QGZVFWFLSA-N 0 0 307.397 3.436 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000275447808 212340308 /nfs/dbraw/zinc/34/03/08/212340308.db2.gz HZJBYUKXLUXVGU-QAPCUYQASA-N 0 0 303.402 3.082 10 30 DGEERN COC(=O)[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000178511396 291326915 /nfs/dbraw/zinc/32/69/15/291326915.db2.gz BHJWWFZQOYSYJO-INIZCTEOSA-N 0 0 300.402 3.015 10 30 DGEERN C=CCOc1ccccc1CNC(=O)Cc1ccc2c(c1)NCC2 ZINC000449120639 240028106 /nfs/dbraw/zinc/02/81/06/240028106.db2.gz DVMPRLPTEJQINE-UHFFFAOYSA-N 0 0 322.408 3.078 10 30 DGEERN C[C@H]1CC[C@@H](C(=O)NCc2ccc(-c3ccccc3C#N)cc2)O1 ZINC000091050465 192976304 /nfs/dbraw/zinc/97/63/04/192976304.db2.gz OAKWKOJTLXWGPS-LIRRHRJNSA-N 0 0 320.392 3.409 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)NCC(F)F)cc1 ZINC000091247681 193026525 /nfs/dbraw/zinc/02/65/25/193026525.db2.gz WSQRCFFGYUCAOT-UHFFFAOYSA-N 0 0 315.323 3.290 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCC3(CCC(O)CC3)CC2)c1 ZINC000450575925 240773738 /nfs/dbraw/zinc/77/37/38/240773738.db2.gz NFNHFRMHWKHZGO-UHFFFAOYSA-N 0 0 312.413 3.282 10 30 DGEERN CCC1(C)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451147732 241022879 /nfs/dbraw/zinc/02/28/79/241022879.db2.gz RWWIFQMAHUXPDA-UHFFFAOYSA-N 0 0 324.421 3.039 10 30 DGEERN C=CCCCNC(=O)c1cc(OC)ccc1OC(F)(F)F ZINC000451299539 241075712 /nfs/dbraw/zinc/07/57/12/241075712.db2.gz ZTONEXKUHFGPJM-UHFFFAOYSA-N 0 0 303.280 3.290 10 30 DGEERN C=CCC1(C(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)CCCCC1 ZINC000451369376 241098744 /nfs/dbraw/zinc/09/87/44/241098744.db2.gz MZTLCZRNIYJVKI-LPHOPBHVSA-N 0 0 321.461 3.310 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)NCc1cccc(C#N)c1 ZINC000079978857 283891575 /nfs/dbraw/zinc/89/15/75/283891575.db2.gz MIUDVYJBBCHHQU-UHFFFAOYSA-N 0 0 323.396 3.299 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000081547496 283920273 /nfs/dbraw/zinc/92/02/73/283920273.db2.gz YTKIWMZHCAKHHO-IAGOWNOFSA-N 0 0 307.397 3.038 10 30 DGEERN C=C(C)Cn1c(N2CC=C(C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453465259 241795135 /nfs/dbraw/zinc/79/51/35/241795135.db2.gz MFARGIQXFLVCIY-QGZVFWFLSA-N 0 0 302.422 3.036 10 30 DGEERN C=C(C)Cn1c(N(C)C[C@@H](C)CC)nnc1[C@@]1(C)CCCO1 ZINC000453463658 241795500 /nfs/dbraw/zinc/79/55/00/241795500.db2.gz JBVAPIFJCSPMQN-WMLDXEAASA-N 0 0 306.454 3.362 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OC(C)C ZINC000454680089 242009128 /nfs/dbraw/zinc/00/91/28/242009128.db2.gz WFABRJPIOXRBKL-ZDUSSCGKSA-N 0 0 310.369 3.062 10 30 DGEERN C=C(CC)CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000455517243 242223193 /nfs/dbraw/zinc/22/31/93/242223193.db2.gz DVCMOLPQCJURSO-XJKSGUPXSA-N 0 0 306.381 3.263 10 30 DGEERN C=CCC[C@H](CO)NC(=O)Nc1ccc(CCC(C)C)cn1 ZINC000455969971 242320932 /nfs/dbraw/zinc/32/09/32/242320932.db2.gz XROFJHKJBRBWLA-OAHLLOKOSA-N 0 0 305.422 3.119 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCO)Cc1cccc(OCC)c1 ZINC000456973726 242609260 /nfs/dbraw/zinc/60/92/60/242609260.db2.gz ZNAUTIIGBCSLKX-HNNXBMFYSA-N 0 0 305.418 3.009 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000458612657 243104465 /nfs/dbraw/zinc/10/44/65/243104465.db2.gz GCQWJUXLVXUYBU-NXOAAHMSSA-N 0 0 308.466 3.456 10 30 DGEERN C=C(CNC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000458769341 243151660 /nfs/dbraw/zinc/15/16/60/243151660.db2.gz WUTUQDXZHIRSLQ-AEFFLSMTSA-N 0 0 316.445 3.450 10 30 DGEERN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(Br)c1 ZINC000181196733 432117418 /nfs/dbraw/zinc/11/74/18/432117418.db2.gz NIYAUGZPSVTOMR-VIFPVBQESA-N 0 0 318.174 3.140 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](OC)C2)c1 ZINC000190048136 432117875 /nfs/dbraw/zinc/11/78/75/432117875.db2.gz YMUYMBRIHCMDOH-XJKSGUPXSA-N 0 0 304.390 3.140 10 30 DGEERN C=CC[C@H]1N(C(=O)Nc2nnc(OC)s2)CCCC1(C)C ZINC000282841777 335000852 /nfs/dbraw/zinc/00/08/52/335000852.db2.gz OVFBRKDHLHIFPS-SNVBAGLBSA-N 0 0 310.423 3.145 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459848297 243512626 /nfs/dbraw/zinc/51/26/26/243512626.db2.gz DZOMIDBJHGVDSE-UHFFFAOYSA-N 0 0 324.409 3.351 10 30 DGEERN COc1ccc(N(C(=O)c2ccc(C#N)o2)C(C)C)cc1F ZINC000460083115 243524858 /nfs/dbraw/zinc/52/48/58/243524858.db2.gz PYEYDPFEBVFBPP-UHFFFAOYSA-N 0 0 302.305 3.354 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@@H]1C ZINC000460951678 243574959 /nfs/dbraw/zinc/57/49/59/243574959.db2.gz XMSCJCHAUZGDMZ-CABCVRRESA-N 0 0 314.433 3.467 10 30 DGEERN C=C[C@](C)(CC)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000467917467 244009836 /nfs/dbraw/zinc/00/98/36/244009836.db2.gz BEHPGKANDZVORR-QGZVFWFLSA-N 0 0 313.357 3.414 10 30 DGEERN C=C(C)COCCNC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000467992425 244014708 /nfs/dbraw/zinc/01/47/08/244014708.db2.gz FQCQMPYSDLUCGV-UHFFFAOYSA-N 0 0 319.298 3.475 10 30 DGEERN C=CCCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000468364041 244035420 /nfs/dbraw/zinc/03/54/20/244035420.db2.gz XZWFHLYEPLMNGT-UHFFFAOYSA-N 0 0 322.202 3.307 10 30 DGEERN C[C@@H]1c2ccccc2CCN1Cc1cnc2ccc(C#N)cn12 ZINC000093149410 193208734 /nfs/dbraw/zinc/20/87/34/193208734.db2.gz JCMOADPSZQWJLL-CQSZACIVSA-N 0 0 302.381 3.325 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](C)C2 ZINC000181252031 432120732 /nfs/dbraw/zinc/12/07/32/432120732.db2.gz ASEZPTWNUIKOSF-VBKZILBWSA-N 0 0 304.393 3.459 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000190084534 432121261 /nfs/dbraw/zinc/12/12/61/432121261.db2.gz ZTPJTKOKBWSNEV-AWEZNQCLSA-N 0 0 324.428 3.356 10 30 DGEERN N#Cc1ccc(CSCC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000488972593 245257893 /nfs/dbraw/zinc/25/78/93/245257893.db2.gz GJWIYFDICXBTEF-CQSZACIVSA-N 0 0 324.396 3.486 10 30 DGEERN CC(C)(C(=O)NCCOc1ccc(C#N)cc1)C1CCCC1 ZINC000124154120 284253886 /nfs/dbraw/zinc/25/38/86/284253886.db2.gz GZBBQLYNNSWXQV-UHFFFAOYSA-N 0 0 300.402 3.270 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000124771195 284264399 /nfs/dbraw/zinc/26/43/99/284264399.db2.gz MILSWDDTUUCKIV-UHFFFAOYSA-N 0 0 308.356 3.467 10 30 DGEERN C=C(C)COc1cccc(NC(=S)NC(=O)c2ccco2)c1 ZINC000009697433 181636739 /nfs/dbraw/zinc/63/67/39/181636739.db2.gz HZRLPFFBYMKOST-UHFFFAOYSA-N 0 0 316.382 3.361 10 30 DGEERN Cc1c(C(=O)NC2(C#N)CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000194390061 291521171 /nfs/dbraw/zinc/52/11/71/291521171.db2.gz AKTXDGIFBZGQEA-UHFFFAOYSA-N 0 0 313.401 3.044 10 30 DGEERN C=CCN1c2cc(NC(=O)c3ccccc3)ccc2O[C@@H](C)C1=O ZINC000012122743 181730806 /nfs/dbraw/zinc/73/08/06/181730806.db2.gz DDIRXUJBPJZWSL-ZDUSSCGKSA-N 0 0 322.364 3.239 10 30 DGEERN CCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 ZINC000012239943 181744040 /nfs/dbraw/zinc/74/40/40/181744040.db2.gz WEAZHMLYFGSQOU-UHFFFAOYSA-N 0 0 319.368 3.339 10 30 DGEERN Cc1csc([C@H]2CN([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000246404495 432126455 /nfs/dbraw/zinc/12/64/55/432126455.db2.gz PPHMQSGYABNRFZ-CZUORRHYSA-N 0 0 313.426 3.458 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000135096966 335019621 /nfs/dbraw/zinc/01/96/21/335019621.db2.gz MFSAYMJUBSLDFK-CJNGLKHVSA-N 0 0 300.402 3.319 10 30 DGEERN C=CCCCN(C)C(=O)CCc1nc(-c2cccs2)no1 ZINC000135078889 335019741 /nfs/dbraw/zinc/01/97/41/335019741.db2.gz YOVCDEWZQVKBLB-UHFFFAOYSA-N 0 0 305.403 3.155 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000135127288 335019817 /nfs/dbraw/zinc/01/98/17/335019817.db2.gz FWDYRNDALBNLKV-FUHWJXTLSA-N 0 0 303.402 3.197 10 30 DGEERN CCc1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2C)ccc1C ZINC000190183492 432129460 /nfs/dbraw/zinc/12/94/60/432129460.db2.gz VIKACMAREWALJL-UHFFFAOYSA-N 0 0 321.380 3.315 10 30 DGEERN N/C(=N\O)c1ccccc1COc1ccccc1Br ZINC000019474457 182124351 /nfs/dbraw/zinc/12/43/51/182124351.db2.gz RDXIDHDNFLAQNC-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN N/C(=N\O)c1ccc(COc2ccccc2Br)cc1 ZINC000019802714 182151835 /nfs/dbraw/zinc/15/18/35/182151835.db2.gz SPEVAQOAQMXXNK-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN COc1cc(/C(N)=N/O)ccc1OCc1ccccc1Cl ZINC000019987711 182174701 /nfs/dbraw/zinc/17/47/01/182174701.db2.gz FXKQCJNPLRKBEK-UHFFFAOYSA-N 0 0 306.749 3.022 10 30 DGEERN Cc1ccc(Oc2cc(/C(N)=N/O)ccn2)c(Br)c1 ZINC000020077892 182184981 /nfs/dbraw/zinc/18/49/81/182184981.db2.gz NQEHYMBXWGXGFH-UHFFFAOYSA-N 0 0 322.162 3.039 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000160112525 197385862 /nfs/dbraw/zinc/38/58/62/197385862.db2.gz KAVIMKMTVGPTLG-QGZVFWFLSA-N 0 0 312.392 3.293 10 30 DGEERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1sccc1C#N ZINC000494672597 246178813 /nfs/dbraw/zinc/17/88/13/246178813.db2.gz HGVXYECRRYPAOZ-LLVKDONJSA-N 0 0 300.383 3.029 10 30 DGEERN C=CCCCCCN(C)Cc1c(Br)cnn1C ZINC000494985620 246219898 /nfs/dbraw/zinc/21/98/98/246219898.db2.gz LODZFYYKDDUZOJ-UHFFFAOYSA-N 0 0 300.244 3.361 10 30 DGEERN C[C@H]1CCCN(c2cc(NCc3ccc(C#N)cc3)ncn2)C1 ZINC000267535427 206129461 /nfs/dbraw/zinc/12/94/61/206129461.db2.gz NCBTXLNRPLSIQI-AWEZNQCLSA-N 0 0 307.401 3.197 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ccccc1-n1cccn1 ZINC000495168917 246243612 /nfs/dbraw/zinc/24/36/12/246243612.db2.gz CWEGSEBALKCYOT-INIZCTEOSA-N 0 0 310.401 3.122 10 30 DGEERN Cc1nnc([C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc2)[nH]1 ZINC000181672013 432141182 /nfs/dbraw/zinc/14/11/82/432141182.db2.gz RDTSTLVTHZJBCE-SCLBCKFNSA-N 0 0 317.396 3.425 10 30 DGEERN N#Cc1ccc(CCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000136137866 432145065 /nfs/dbraw/zinc/14/50/65/432145065.db2.gz LNIVVAPXKZSQTL-UHFFFAOYSA-N 0 0 308.425 3.432 10 30 DGEERN CNC(SCc1ccccc1Cl)=C1C(=O)CCCC1=O ZINC000040570316 183103853 /nfs/dbraw/zinc/10/38/53/183103853.db2.gz NAGVNRTYAHSJPR-UHFFFAOYSA-N 0 0 309.818 3.326 10 30 DGEERN C=CCNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000040598721 183107824 /nfs/dbraw/zinc/10/78/24/183107824.db2.gz MTPUHRURIKVIDK-UHFFFAOYSA-N 0 0 311.345 3.067 10 30 DGEERN C=CCNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040598759 183108328 /nfs/dbraw/zinc/10/83/28/183108328.db2.gz MFFXSWUZIWVTRH-UHFFFAOYSA-N 0 0 305.725 3.380 10 30 DGEERN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000041423197 183190519 /nfs/dbraw/zinc/19/05/19/183190519.db2.gz HCILYSNNFDAELS-ACJLOTCBSA-N 0 0 324.355 3.300 10 30 DGEERN C[C@@H](C#N)CN(C)c1c(N)cnc2ccc(Br)cc21 ZINC000042455239 183271840 /nfs/dbraw/zinc/27/18/40/183271840.db2.gz BHCYFLYHSGXDES-VIFPVBQESA-N 0 0 319.206 3.175 10 30 DGEERN N/C(CCN(Cc1ccc(Cl)cc1Cl)C1CC1)=N/O ZINC000042531468 183281786 /nfs/dbraw/zinc/28/17/86/183281786.db2.gz DUGAOOIXEYFTPJ-UHFFFAOYSA-N 0 0 302.205 3.094 10 30 DGEERN CC(C)N(CCC#N)CC(=O)Nc1cccc(Br)c1 ZINC000042530703 183281830 /nfs/dbraw/zinc/28/18/30/183281830.db2.gz BRBMRWBGHWAJAY-UHFFFAOYSA-N 0 0 324.222 3.012 10 30 DGEERN Cc1cc(Br)ccc1C(=O)N(CCC#N)C1CC1 ZINC000042548873 183282760 /nfs/dbraw/zinc/28/27/60/183282760.db2.gz PHEWIGMJNMODML-UHFFFAOYSA-N 0 0 307.191 3.276 10 30 DGEERN CC(C)[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000103850436 193961394 /nfs/dbraw/zinc/96/13/94/193961394.db2.gz VZKBJUCNJLTSLE-CQSZACIVSA-N 0 0 315.417 3.156 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000106610989 194236902 /nfs/dbraw/zinc/23/69/02/194236902.db2.gz AKBOEDWDGKFITE-MOPGFXCFSA-N 0 0 320.392 3.329 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000106610986 194237489 /nfs/dbraw/zinc/23/74/89/194237489.db2.gz AKBOEDWDGKFITE-RTBURBONSA-N 0 0 320.392 3.329 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000110370588 194325984 /nfs/dbraw/zinc/32/59/84/194325984.db2.gz BGCMGTBBYKRWSV-RHSMWYFYSA-N 0 0 320.392 3.172 10 30 DGEERN C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1C ZINC000246191152 284874546 /nfs/dbraw/zinc/87/45/46/284874546.db2.gz OAMYZBPLGSUXEP-QWRGUYRKSA-N 0 0 312.822 3.021 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)cc1 ZINC000058978871 184132722 /nfs/dbraw/zinc/13/27/22/184132722.db2.gz RUJXQYGKFDZVAC-RUSIRPCXSA-N 0 0 318.442 3.214 10 30 DGEERN N#C[C@H](C(=O)C1CCOCC1)c1ccccc1Br ZINC000061672501 184181904 /nfs/dbraw/zinc/18/19/04/184181904.db2.gz DKIAWNOKEQMLSJ-LBPRGKRZSA-N 0 0 308.175 3.052 10 30 DGEERN CN(CC1CCCCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173800576 252663111 /nfs/dbraw/zinc/66/31/11/252663111.db2.gz YTLLYPADAHGAHI-UHFFFAOYSA-N 0 0 315.417 3.159 10 30 DGEERN CCC1(CC)CN([C@H](C)c2ccc(C#N)cc2)CC[S@]1=O ZINC000249044983 285049067 /nfs/dbraw/zinc/04/90/67/285049067.db2.gz VSGBZQHKIZRCAW-SPLOXXLWSA-N 0 0 304.459 3.242 10 30 DGEERN CO[C@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@H]1C ZINC000336810847 253002264 /nfs/dbraw/zinc/00/22/64/253002264.db2.gz JRVAPMAAWRAYCE-ABAIWWIYSA-N 0 0 323.234 3.178 10 30 DGEERN CS(=O)(=O)CCc1ccc(Nc2cccc(F)c2C#N)cc1 ZINC000120166188 195111136 /nfs/dbraw/zinc/11/11/36/195111136.db2.gz ZLLRDIIOGREVHC-UHFFFAOYSA-N 0 0 318.373 3.028 10 30 DGEERN CCN(Cc1nsc(N(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000177488447 285131633 /nfs/dbraw/zinc/13/16/33/285131633.db2.gz MXUOYGARNQEGRB-GFCCVEGCSA-N 0 0 315.446 3.059 10 30 DGEERN CN(C(=O)c1ncsc1Br)c1ccccc1C#N ZINC000342598576 254016274 /nfs/dbraw/zinc/01/62/74/254016274.db2.gz ZHWOFMIVXLKNOM-UHFFFAOYSA-N 0 0 322.187 3.054 10 30 DGEERN CC(=O)N1CCc2cc(NCc3ccc(C#N)cc3F)ccc21 ZINC000343468678 254148205 /nfs/dbraw/zinc/14/82/05/254148205.db2.gz FJQOAJKRQXMURH-UHFFFAOYSA-N 0 0 309.344 3.218 10 30 DGEERN C=CCN(C(=O)Cc1cc(Br)ccc1OC)C1CC1 ZINC000271501742 208962065 /nfs/dbraw/zinc/96/20/65/208962065.db2.gz KNMWKYVYWFDJDP-UHFFFAOYSA-N 0 0 324.218 3.177 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1cc(C)ccc1F ZINC000155366252 197048338 /nfs/dbraw/zinc/04/83/38/197048338.db2.gz QFMISLKURCLAQW-UHFFFAOYSA-N 0 0 305.271 3.090 10 30 DGEERN C#CCCCCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000151934849 196749452 /nfs/dbraw/zinc/74/94/52/196749452.db2.gz VBMQZFVCBRNGQK-OAHLLOKOSA-N 0 0 303.362 3.149 10 30 DGEERN N#Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151444829 196681350 /nfs/dbraw/zinc/68/13/50/196681350.db2.gz PJOCTOIPJVUNQN-JKSUJKDBSA-N 0 0 321.332 3.039 10 30 DGEERN C=CCC[C@@H](O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000125034608 195705872 /nfs/dbraw/zinc/70/58/72/195705872.db2.gz YORULNYLQXOQMS-KGLIPLIRSA-N 0 0 324.490 3.141 10 30 DGEERN COc1ccc(Br)c(C(=O)NC2(C#N)CCCC2)c1 ZINC000040215667 533256403 /nfs/dbraw/zinc/25/64/03/533256403.db2.gz VSCQVPYMHAROBU-UHFFFAOYSA-N 0 0 323.190 3.024 10 30 DGEERN COCCOc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000161474343 533261221 /nfs/dbraw/zinc/26/12/21/533261221.db2.gz AAMATHXQBFBFBZ-UHFFFAOYSA-N 0 0 310.353 3.144 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(O)c1 ZINC000180711523 533284951 /nfs/dbraw/zinc/28/49/51/533284951.db2.gz CAYWWTQCDKIPME-CYBMUJFWSA-N 0 0 306.365 3.438 10 30 DGEERN COC(=O)[C@H](NCC1CCC(C#N)CC1)c1ccccc1C ZINC000442101484 533331051 /nfs/dbraw/zinc/33/10/51/533331051.db2.gz YHVPAKATIZFCJX-VMBOVVBDSA-N 0 0 300.402 3.129 10 30 DGEERN C[C@@H](CC#N)N(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000184981062 533395728 /nfs/dbraw/zinc/39/57/28/533395728.db2.gz AATVOLTYXWTZMA-VIFPVBQESA-N 0 0 307.195 3.059 10 30 DGEERN C[C@@H](CC#N)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155777798 533404022 /nfs/dbraw/zinc/40/40/22/533404022.db2.gz NMWGKTZOBAGSJG-CPCISQLKSA-N 0 0 321.249 3.170 10 30 DGEERN COc1c(CNc2cccc(OCCCC#N)c2)c(C)nn1C ZINC000114764100 533420790 /nfs/dbraw/zinc/42/07/90/533420790.db2.gz QIRYLQZHFDBGDE-UHFFFAOYSA-N 0 0 314.389 3.032 10 30 DGEERN C=C(C)CCNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000455318151 533486660 /nfs/dbraw/zinc/48/66/60/533486660.db2.gz YGNIPJRNYIDLIO-CZUORRHYSA-N 0 0 306.381 3.263 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000454674714 533519497 /nfs/dbraw/zinc/51/94/97/533519497.db2.gz QIHXTHHGFALFDX-YOEHRIQHSA-N 0 0 318.417 3.266 10 30 DGEERN COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(CC#N)c1 ZINC000174477267 533572598 /nfs/dbraw/zinc/57/25/98/533572598.db2.gz UDRDBKNLENIVTJ-LBPRGKRZSA-N 0 0 312.344 3.391 10 30 DGEERN COc1cccc(N2CCC[C@@H](Nc3ccc(C)c(C#N)n3)C2)c1 ZINC000302692921 533576849 /nfs/dbraw/zinc/57/68/49/533576849.db2.gz ZZDAOWOPMVJYIV-OAHLLOKOSA-N 0 0 322.412 3.351 10 30 DGEERN Cc1ccc(C#N)c(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 ZINC000245717271 292044883 /nfs/dbraw/zinc/04/48/83/292044883.db2.gz GUWNZVXIFFBAOI-SUMWQHHRSA-N 0 0 311.360 3.367 10 30 DGEERN C=C/C(C)=C\CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000616174840 400094493 /nfs/dbraw/zinc/09/44/93/400094493.db2.gz GSSWDYRPLFQQSF-SXGWCWSVSA-N 0 0 309.413 3.119 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000581437248 400079520 /nfs/dbraw/zinc/07/95/20/400079520.db2.gz GLQMVRKOZJXDDX-ZDUSSCGKSA-N 0 0 306.454 3.014 10 30 DGEERN C=CCn1c(N2CCCC[C@H](CCOC)C2)nnc1C(C)(C)C ZINC000581635852 400081161 /nfs/dbraw/zinc/08/11/61/400081161.db2.gz XRNPSHFNDFIFEX-OAHLLOKOSA-N 0 0 320.481 3.405 10 30 DGEERN C=CCN(CC=C)c1nnc(-c2scnc2C)n1CC=C ZINC000581823851 400083364 /nfs/dbraw/zinc/08/33/64/400083364.db2.gz JHWPQMPLERRPJM-UHFFFAOYSA-N 0 0 301.419 3.074 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](CO)c1c(F)cccc1F ZINC000581892434 400084363 /nfs/dbraw/zinc/08/43/63/400084363.db2.gz LRPNZONNJZDCAB-CQSZACIVSA-N 0 0 312.360 3.044 10 30 DGEERN Cc1cc(C)n(CC(=O)NC[C@H]2CCCc3sc(C)nc32)n1 ZINC000328625964 400182525 /nfs/dbraw/zinc/18/25/25/400182525.db2.gz LFYIUYQFMFLOMZ-CYBMUJFWSA-N 0 0 318.446 3.341 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)Nc1ccccn1 ZINC000328616259 400182777 /nfs/dbraw/zinc/18/27/77/400182777.db2.gz BNAVLCVDAYKQTF-NSHDSACASA-N 0 0 302.403 3.293 10 30 DGEERN N#Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616633181 400189190 /nfs/dbraw/zinc/18/91/90/400189190.db2.gz JENHRALVDBEDCV-QGZVFWFLSA-N 0 0 312.394 3.084 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000616302073 400121703 /nfs/dbraw/zinc/12/17/03/400121703.db2.gz ZMCMUJPOGIFTOS-NXHRZFHOSA-N 0 0 301.430 3.495 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)n1ccc(C)n1 ZINC000616301878 400121744 /nfs/dbraw/zinc/12/17/44/400121744.db2.gz XDESVCZLPSYGIU-FUHWJXTLSA-N 0 0 311.429 3.446 10 30 DGEERN CC(C)C[C@@H](C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000608825180 400126193 /nfs/dbraw/zinc/12/61/93/400126193.db2.gz ISVCJISLDPFKMM-JTQLQIEISA-N 0 0 315.200 3.427 10 30 DGEERN Cc1nnc(NCc2ccnc(OC(C)(C)C)c2)c(C#N)c1C ZINC000091675038 400130691 /nfs/dbraw/zinc/13/06/91/400130691.db2.gz QRBPIHJPLPVTHT-UHFFFAOYSA-N 0 0 311.389 3.150 10 30 DGEERN C[C@H](Nc1cc(C#N)ncn1)c1cccc(Br)c1 ZINC000310638399 400133691 /nfs/dbraw/zinc/13/36/91/400133691.db2.gz RSPYGEVZTOYOKS-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@@H](C)S1 ZINC000310393797 400133879 /nfs/dbraw/zinc/13/38/79/400133879.db2.gz SDAPBWWZMFCXIE-RKDXNWHRSA-N 0 0 312.236 3.046 10 30 DGEERN CC(C)(C)c1nc(C(=O)NCc2ccc(C#N)cc2F)cs1 ZINC000609228376 400152708 /nfs/dbraw/zinc/15/27/08/400152708.db2.gz BFXQYDNIXWSVFW-UHFFFAOYSA-N 0 0 317.389 3.381 10 30 DGEERN C=C[C@H](C(=O)OC)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000586774009 400153391 /nfs/dbraw/zinc/15/33/91/400153391.db2.gz LJNXFTAAQWIUNF-HZPDHXFCSA-N 0 0 309.356 3.276 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2nc(C3CC3)cs2)c(F)c1 ZINC000609240056 400154042 /nfs/dbraw/zinc/15/40/42/400154042.db2.gz SIYMOIJLWYVTQC-UHFFFAOYSA-N 0 0 316.361 3.353 10 30 DGEERN Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(F)c1 ZINC000609252565 400154301 /nfs/dbraw/zinc/15/43/01/400154301.db2.gz VKRDDZGAACTWBR-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000610352563 400247080 /nfs/dbraw/zinc/24/70/80/400247080.db2.gz AOHGQFGFAVUOCA-SJLPKXTDSA-N 0 0 323.371 3.128 10 30 DGEERN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000610352880 400248503 /nfs/dbraw/zinc/24/85/03/400248503.db2.gz OHAKNORQORXCCO-PKOBYXMFSA-N 0 0 323.371 3.227 10 30 DGEERN C=CCC1(c2nc(-c3ccc4c(c3)ncn4C)no2)CCOCC1 ZINC000351362907 400250114 /nfs/dbraw/zinc/25/01/14/400250114.db2.gz WJJSNXRQHNHDSE-UHFFFAOYSA-N 0 0 324.384 3.248 10 30 DGEERN C=CCN(Cc1ncc(CC)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000610368098 400250280 /nfs/dbraw/zinc/25/02/80/400250280.db2.gz LAUOVKMXNYUPLB-UHFFFAOYSA-N 0 0 301.346 3.333 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC3(CCC3)CC2)c(F)c1 ZINC000588340021 400211622 /nfs/dbraw/zinc/21/16/22/400211622.db2.gz YZRZSEPEFZVZRF-UHFFFAOYSA-N 0 0 301.365 3.173 10 30 DGEERN CC(=O)Nc1c(C)ccc(NC(=O)Cc2cccc(C#N)c2)c1C ZINC000610520226 400269397 /nfs/dbraw/zinc/26/93/97/400269397.db2.gz FIGPSXVTYUVIPG-UHFFFAOYSA-N 0 0 321.380 3.315 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617036425 400287670 /nfs/dbraw/zinc/28/76/70/400287670.db2.gz ATCKEBWOXNDSDT-PBHICJAKSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nn(C)c1C ZINC000617037105 400287737 /nfs/dbraw/zinc/28/77/37/400287737.db2.gz IJIWEBYFGFPUBF-RDJZCZTQSA-N 0 0 303.450 3.221 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1nnc(C(C)C)o1 ZINC000617039190 400288839 /nfs/dbraw/zinc/28/88/39/400288839.db2.gz DLVZZRQDFBKXMC-KBPBESRZSA-N 0 0 305.422 3.377 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000617039761 400289078 /nfs/dbraw/zinc/28/90/78/400289078.db2.gz LQNUPVFRQPYKCM-XCRHUMRWSA-N 0 0 317.477 3.467 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccccn2)c1C ZINC000617038261 400289094 /nfs/dbraw/zinc/28/90/94/400289094.db2.gz VSPWOUQXNRQEKT-DOTOQJQBSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CNC(C)=O)s1 ZINC000617038552 400289235 /nfs/dbraw/zinc/28/92/35/400289235.db2.gz YUZXXGRFRODJMG-ZFWWWQNUSA-N 0 0 320.458 3.249 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617039152 400289257 /nfs/dbraw/zinc/28/92/57/400289257.db2.gz CYCQTJZXJJLMDL-WMLDXEAASA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000617038073 400289321 /nfs/dbraw/zinc/28/93/21/400289321.db2.gz UJUKNVWQXCPNEG-WBVHZDCISA-N 0 0 320.477 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000617041486 400290123 /nfs/dbraw/zinc/29/01/23/400290123.db2.gz FDXWEIOFGINFGJ-XQQFMLRXSA-N 0 0 306.372 3.120 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cncn2)c1 ZINC000617040287 400290216 /nfs/dbraw/zinc/29/02/16/400290216.db2.gz RXMVWIHMFFJDCD-RHSMWYFYSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cn(CCC(C)C)nn1 ZINC000617040503 400290244 /nfs/dbraw/zinc/29/02/44/400290244.db2.gz VENWPPNIJRPWTK-GJZGRUSLSA-N 0 0 304.438 3.189 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC000617042420 400291362 /nfs/dbraw/zinc/29/13/62/400291362.db2.gz QYWROXVJQQBQQM-HLLBOEOZSA-N 0 0 301.434 3.005 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCN(OCC)CC1 ZINC000617043933 400291700 /nfs/dbraw/zinc/29/17/00/400291700.db2.gz GUSINNWGHWCJOV-SJORKVTESA-N 0 0 308.466 3.291 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nn(CC)c1C ZINC000617045323 400292491 /nfs/dbraw/zinc/29/24/91/400292491.db2.gz ZCRQUZWVTUYYAC-NVXWUHKLSA-N 0 0 303.450 3.313 10 30 DGEERN CC(C)(C)OC(=O)N1CC(N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000409441552 400301191 /nfs/dbraw/zinc/30/11/91/400301191.db2.gz PQMKYHKMOIQEOC-AWEZNQCLSA-N 0 0 321.808 3.114 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)CC2(C#N)CC2)cc1)[C@H]1C[C@H]1C ZINC000590530359 400394574 /nfs/dbraw/zinc/39/45/74/400394574.db2.gz VWAZEJCBNCTVEG-WBMJQRKESA-N 0 0 311.385 3.080 10 30 DGEERN C=CCCC1(CNC(=O)CCc2cnn(C)c2C)CCCC1 ZINC000617417236 400385223 /nfs/dbraw/zinc/38/52/23/400385223.db2.gz QSABAACGPHMKPM-UHFFFAOYSA-N 0 0 303.450 3.304 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCn3ccnc3C2)CCCC1 ZINC000617417227 400385526 /nfs/dbraw/zinc/38/55/26/400385526.db2.gz QFAGIAKKCPRJKH-HNNXBMFYSA-N 0 0 301.434 3.088 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000578622423 400330703 /nfs/dbraw/zinc/33/07/03/400330703.db2.gz OQYXZGQCNLFTJW-KKUMJFAQSA-N 0 0 324.465 3.350 10 30 DGEERN C=CCNC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000114907853 400390942 /nfs/dbraw/zinc/39/09/42/400390942.db2.gz VZBIESOVGPHDTR-UHFFFAOYSA-N 0 0 316.401 3.446 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)c(Cl)c1 ZINC000107461736 400336167 /nfs/dbraw/zinc/33/61/67/400336167.db2.gz SQZHMGMNLRACKY-SECBINFHSA-N 0 0 303.724 3.237 10 30 DGEERN C=CCOc1ccc(CN2C(=O)N[C@H](C[C@@H](C)CC)C2=O)cc1 ZINC000579239782 400337263 /nfs/dbraw/zinc/33/72/63/400337263.db2.gz LREOYGKZEBNONF-XJKSGUPXSA-N 0 0 316.401 3.108 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCCCC1 ZINC000579472596 400338910 /nfs/dbraw/zinc/33/89/10/400338910.db2.gz DEKKPIIXPBOJNF-UHFFFAOYSA-N 0 0 303.435 3.276 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000579464917 400339092 /nfs/dbraw/zinc/33/90/92/400339092.db2.gz ANSPEJLXXWTQGL-BBRMVZONSA-N 0 0 319.449 3.082 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCOc2ccc(C)cc2C)cc1 ZINC000038243375 400395056 /nfs/dbraw/zinc/39/50/56/400395056.db2.gz PPZVMZSYTLCUCS-UHFFFAOYSA-N 0 0 320.410 3.396 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000601743739 400343710 /nfs/dbraw/zinc/34/37/10/400343710.db2.gz FFLCDGFRFGGEQU-SFHVURJKSA-N 0 0 322.449 3.357 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC(C(C)C)C1 ZINC000611079402 400343969 /nfs/dbraw/zinc/34/39/69/400343969.db2.gz UVRFHXVUYBKIRM-KRWDZBQOSA-N 0 0 300.402 3.076 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1oc2ccc(F)cc2c1C)C(=O)OC ZINC000601771657 400347455 /nfs/dbraw/zinc/34/74/55/400347455.db2.gz JYQOXHWGUMUFCW-ZDUSSCGKSA-N 0 0 319.332 3.118 10 30 DGEERN C=C(C)C[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)OC ZINC000601781514 400347931 /nfs/dbraw/zinc/34/79/31/400347931.db2.gz IOZDIGMIEFKUGR-GDBMZVCRSA-N 0 0 303.402 3.194 10 30 DGEERN C=C(C)C[C@H](NC(=O)CCCc1sccc1C)C(=O)OC ZINC000601782324 400347974 /nfs/dbraw/zinc/34/79/74/400347974.db2.gz OLDDTTXWGFWTLA-ZDUSSCGKSA-N 0 0 309.431 3.003 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2oc(CC)nc2c1 ZINC000580948851 400348223 /nfs/dbraw/zinc/34/82/23/400348223.db2.gz XVNLHURIGCKCAY-FZMZJTMJSA-N 0 0 315.373 3.103 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)OC ZINC000601783438 400349377 /nfs/dbraw/zinc/34/93/77/400349377.db2.gz WSDUQLYJWWLONI-BBRMVZONSA-N 0 0 321.392 3.018 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cccc2ccsc21)C(=O)OC ZINC000601788232 400349402 /nfs/dbraw/zinc/34/94/02/400349402.db2.gz SMTCXUSFWUSJLT-CYBMUJFWSA-N 0 0 303.383 3.139 10 30 DGEERN C=C(C)C[C@H](NC(=O)CCCc1ccc(C)s1)C(=O)OC ZINC000601783874 400349552 /nfs/dbraw/zinc/34/95/52/400349552.db2.gz YSYANFXPVMUARJ-AWEZNQCLSA-N 0 0 309.431 3.003 10 30 DGEERN C=C(C)C[C@@H](NC(=O)Cc1csc2ccccc12)C(=O)OC ZINC000601784663 400349571 /nfs/dbraw/zinc/34/95/71/400349571.db2.gz GKUODVQRGMRDFK-CQSZACIVSA-N 0 0 317.410 3.068 10 30 DGEERN C=CCn1c(N)nnc1SCc1cc(F)cc2cccnc21 ZINC000031620860 400350825 /nfs/dbraw/zinc/35/08/25/400350825.db2.gz SDJONOCPIAYXSB-UHFFFAOYSA-N 0 0 315.377 3.026 10 30 DGEERN C=CCCCNC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000581290529 400351860 /nfs/dbraw/zinc/35/18/60/400351860.db2.gz WRFSJYOSRVERLJ-UHFFFAOYSA-N 0 0 304.438 3.051 10 30 DGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000110345039 400355825 /nfs/dbraw/zinc/35/58/25/400355825.db2.gz QHTAUDUBRNENFJ-KXOXPVICSA-N 0 0 310.393 3.253 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601861381 400366155 /nfs/dbraw/zinc/36/61/55/400366155.db2.gz LMGXUUAGLSIVCJ-HZPDHXFCSA-N 0 0 313.449 3.325 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601865546 400367106 /nfs/dbraw/zinc/36/71/06/400367106.db2.gz YVAZMUZPYXHSDF-HUUCEWRRSA-N 0 0 301.438 3.181 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601864867 400367425 /nfs/dbraw/zinc/36/74/25/400367425.db2.gz QSFVOHXOQZHXKV-CVEARBPZSA-N 0 0 307.401 3.260 10 30 DGEERN C=CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601874474 400369471 /nfs/dbraw/zinc/36/94/71/400369471.db2.gz YVEKWVFIXPRCSC-KBPBESRZSA-N 0 0 311.389 3.161 10 30 DGEERN C=CCOc1ccc(OCc2cnc(C(=O)OCC)s2)cc1 ZINC000601922613 400376208 /nfs/dbraw/zinc/37/62/08/400376208.db2.gz NCFWNTLAGGOPBO-UHFFFAOYSA-N 0 0 319.382 3.464 10 30 DGEERN N#CCOc1cccc(-c2ccn(-c3ccnc4[nH]ccc43)n2)c1 ZINC000113132323 400378538 /nfs/dbraw/zinc/37/85/38/400378538.db2.gz OZLJQOZPOCBTPF-UHFFFAOYSA-N 0 0 315.336 3.318 10 30 DGEERN C=CCOCCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000611561639 400422248 /nfs/dbraw/zinc/42/22/48/400422248.db2.gz SSDYBTXOBRWAAF-UHFFFAOYSA-N 0 0 321.380 3.234 10 30 DGEERN C=CCCNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC000617618364 400427502 /nfs/dbraw/zinc/42/75/02/400427502.db2.gz MTPKLOMAFGEVPO-UHFFFAOYSA-N 0 0 322.836 3.308 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]1(C)CC[C@H](C)C1(C)C ZINC000617663486 400439289 /nfs/dbraw/zinc/43/92/89/400439289.db2.gz WBLYCKAEDWGYDD-JOQOYGCGSA-N 0 0 308.466 3.036 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)O1 ZINC000602332689 400441037 /nfs/dbraw/zinc/44/10/37/400441037.db2.gz MCCMRNWHEYDOAO-VDDIYKPWSA-N 0 0 323.190 3.073 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000602344171 400443114 /nfs/dbraw/zinc/44/31/14/400443114.db2.gz FLERHNUAOHSIEC-CQSZACIVSA-N 0 0 324.465 3.210 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)Cc2c(C)nn(CC3CC3)c2C)C1 ZINC000617777363 400451158 /nfs/dbraw/zinc/45/11/58/400451158.db2.gz NEKDLLFMRSTXON-MRXNPFEDSA-N 0 0 315.461 3.267 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cscc1C(F)(F)F)C(=O)OC ZINC000602413265 400456078 /nfs/dbraw/zinc/45/60/78/400456078.db2.gz KQPKSYDYSIFTJL-SNVBAGLBSA-N 0 0 321.320 3.005 10 30 DGEERN C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000044894276 400506094 /nfs/dbraw/zinc/50/60/94/400506094.db2.gz RYISUFNRXWVNNJ-PXAZEXFGSA-N 0 0 319.836 3.141 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000122459735 400461498 /nfs/dbraw/zinc/46/14/98/400461498.db2.gz WQCIUYBSIXBDGL-UHFFFAOYSA-N 0 0 307.337 3.292 10 30 DGEERN Cn1c(CSc2ccc(C#N)cc2F)nnc1C1CCC1 ZINC000611912250 400463893 /nfs/dbraw/zinc/46/38/93/400463893.db2.gz OMJUZOHFHQFEBL-UHFFFAOYSA-N 0 0 302.378 3.386 10 30 DGEERN Cn1nccc1C1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000122745942 400464440 /nfs/dbraw/zinc/46/44/40/400464440.db2.gz KZOFXHJXQFSTDE-UHFFFAOYSA-N 0 0 317.396 3.224 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC3(CCC3)OC[C@H]2C)cc1 ZINC000617951282 400489107 /nfs/dbraw/zinc/48/91/07/400489107.db2.gz XAHPGOYKMFDFAX-CQSZACIVSA-N 0 0 301.386 3.035 10 30 DGEERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000612085909 400489581 /nfs/dbraw/zinc/48/95/81/400489581.db2.gz SOEDWALWMJDKEY-SECBINFHSA-N 0 0 317.824 3.309 10 30 DGEERN N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000612104127 400492940 /nfs/dbraw/zinc/49/29/40/400492940.db2.gz PKTYLJAVGNAKDA-QGZVFWFLSA-N 0 0 321.428 3.059 10 30 DGEERN C[C@@]1(C#N)CCCN(C(=O)c2csc(Br)c2)C1 ZINC000612366911 400532729 /nfs/dbraw/zinc/53/27/29/400532729.db2.gz ZDWHIYJRAWGETB-LBPRGKRZSA-N 0 0 313.220 3.276 10 30 DGEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC(C)(C)C1 ZINC000612371794 400533298 /nfs/dbraw/zinc/53/32/98/400533298.db2.gz QAKFJGUTSTZYHF-GFCCVEGCSA-N 0 0 303.381 3.275 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCc1cccc(OC2CC2)c1F)OCC ZINC000618140138 400533744 /nfs/dbraw/zinc/53/37/44/400533744.db2.gz GYWLIHHTDVOGBD-MRXNPFEDSA-N 0 0 321.392 3.354 10 30 DGEERN CCO[C@H](C#N)c1ncc(Br)cc1Br ZINC000130151251 400534814 /nfs/dbraw/zinc/53/48/14/400534814.db2.gz IOESWBKTFHJYDY-MRVPVSSYSA-N 0 0 319.984 3.208 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC(CC#N)CC1 ZINC000591622372 400546884 /nfs/dbraw/zinc/54/68/84/400546884.db2.gz UPDSIDDEYDCJQB-CQSZACIVSA-N 0 0 317.462 3.162 10 30 DGEERN C=CCC1(NC(=O)C[C@@H]2CCOc3ccccc32)CCOCC1 ZINC000618247756 400550560 /nfs/dbraw/zinc/55/05/60/400550560.db2.gz IMVNCRKXSVMMJD-HNNXBMFYSA-N 0 0 315.413 3.184 10 30 DGEERN CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000074978281 400550681 /nfs/dbraw/zinc/55/06/81/400550681.db2.gz KAYJGRMUMBXMNF-CMPLNLGQSA-N 0 0 312.822 3.021 10 30 DGEERN N#Cc1ccc(CNC(=O)Cc2cnc3ccccc3c2)c(F)c1 ZINC000131628290 400552501 /nfs/dbraw/zinc/55/25/01/400552501.db2.gz ZQGAHOPFAZYVFX-UHFFFAOYSA-N 0 0 319.339 3.104 10 30 DGEERN Cc1cc(C)cc(CCNC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000131547769 400552558 /nfs/dbraw/zinc/55/25/58/400552558.db2.gz OUFNHBNESFOUST-INIZCTEOSA-N 0 0 322.408 3.301 10 30 DGEERN C=C(C)CN(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612565925 400566657 /nfs/dbraw/zinc/56/66/57/400566657.db2.gz DFNIMXONUGSBMC-UHFFFAOYSA-N 0 0 302.252 3.262 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ncccc2C)n1CC1CC1 ZINC000612865819 400618591 /nfs/dbraw/zinc/61/85/91/400618591.db2.gz XVZHPGNGHDJXGT-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN COC(=O)[C@@](C)(CC=O)c1ccc(OCc2ccccc2)cc1 ZINC000142445323 400630668 /nfs/dbraw/zinc/63/06/68/400630668.db2.gz FYZRWKMVVZLSQL-IBGZPJMESA-N 0 0 312.365 3.285 10 30 DGEERN C=C1CCN(c2nnc([C@@H]3CCCS3)n2CC2CC2)CC1 ZINC000612960517 400633756 /nfs/dbraw/zinc/63/37/56/400633756.db2.gz FFCNGKQYOTXBBS-AWEZNQCLSA-N 0 0 304.463 3.413 10 30 DGEERN C=CCOCCCNC(=O)Nc1ccccc1CCSC ZINC000603074695 400636137 /nfs/dbraw/zinc/63/61/37/400636137.db2.gz UGLFVZRTRVYNSS-UHFFFAOYSA-N 0 0 308.447 3.306 10 30 DGEERN COc1cccc(Cc2noc(/C=C\c3cccc(C#N)c3)n2)n1 ZINC000612979759 400637441 /nfs/dbraw/zinc/63/74/41/400637441.db2.gz DUOKEQCRZBBLPF-HJWRWDBZSA-N 0 0 318.336 3.106 10 30 DGEERN O=C1OC2(CCC2)CN1c1ccc(C#Cc2ccccc2)cn1 ZINC000143941404 400638433 /nfs/dbraw/zinc/63/84/33/400638433.db2.gz HQXOIYFDGVRGQN-UHFFFAOYSA-N 0 0 304.349 3.361 10 30 DGEERN N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cncs3)no2)cc1 ZINC000618421764 400588799 /nfs/dbraw/zinc/58/87/99/400588799.db2.gz FTQZUOJDRMWSEI-ZDUSSCGKSA-N 0 0 323.381 3.406 10 30 DGEERN C=CCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccs1 ZINC000138117090 400596233 /nfs/dbraw/zinc/59/62/33/400596233.db2.gz IIEYGHIPMKZZBG-PDICVPPASA-N 0 0 313.493 3.193 10 30 DGEERN C=C(C)[C@H](CC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)OCC ZINC000618493461 400601147 /nfs/dbraw/zinc/60/11/47/400601147.db2.gz VJHDXRHAEFNJFM-BZSNNMDCSA-N 0 0 317.429 3.047 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000618513391 400608248 /nfs/dbraw/zinc/60/82/48/400608248.db2.gz AIWNNENZCHUBRM-UHFFFAOYSA-N 0 0 303.402 3.331 10 30 DGEERN C=CCOCCCNC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000618515579 400609205 /nfs/dbraw/zinc/60/92/05/400609205.db2.gz XCTNRRITPCEFBT-UHFFFAOYSA-N 0 0 310.397 3.046 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000618520562 400610197 /nfs/dbraw/zinc/61/01/97/400610197.db2.gz GNKOFMSRFFQHJE-ZDUSSCGKSA-N 0 0 311.809 3.125 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000618524532 400610829 /nfs/dbraw/zinc/61/08/29/400610829.db2.gz IVONADAVWANICG-UHFFFAOYSA-N 0 0 319.298 3.475 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(OC2CCCC2)c1 ZINC000618522690 400610879 /nfs/dbraw/zinc/61/08/79/400610879.db2.gz QDBVBEHANSAMMJ-UHFFFAOYSA-N 0 0 303.402 3.331 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000618522939 400610940 /nfs/dbraw/zinc/61/09/40/400610940.db2.gz ZMIAXCCDHOZGSS-UHFFFAOYSA-N 0 0 305.271 3.167 10 30 DGEERN C=CCOCCCNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000618524447 400611065 /nfs/dbraw/zinc/61/10/65/400611065.db2.gz FBAYJABCODFEFS-UHFFFAOYSA-N 0 0 323.261 3.306 10 30 DGEERN C=CCOCCCNC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000618524844 400611249 /nfs/dbraw/zinc/61/12/49/400611249.db2.gz SBHAWRLTPMFMTR-AWEZNQCLSA-N 0 0 300.402 3.370 10 30 DGEERN C=CCOCCCNC(=O)Cc1cccc2ccc(OC)cc21 ZINC000618526800 400611656 /nfs/dbraw/zinc/61/16/56/400611656.db2.gz XPJMHXRCYYPRMC-UHFFFAOYSA-N 0 0 313.397 3.100 10 30 DGEERN C=CCOCCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000618526564 400611744 /nfs/dbraw/zinc/61/17/44/400611744.db2.gz QIVJASPFDWPWFC-UHFFFAOYSA-N 0 0 304.173 3.022 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000076489688 400657939 /nfs/dbraw/zinc/65/79/39/400657939.db2.gz VBVBPSJJTDWTJI-NVXWUHKLSA-N 0 0 316.445 3.256 10 30 DGEERN CC(=O)N1CCC[C@@H](CNc2cccc(-n3cccc3)c2C#N)C1 ZINC000603365819 400674439 /nfs/dbraw/zinc/67/44/39/400674439.db2.gz TZAPYIQVGVORQZ-INIZCTEOSA-N 0 0 322.412 3.019 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000076954621 400681621 /nfs/dbraw/zinc/68/16/21/400681621.db2.gz LXZFIZANWUSSRV-HNNXBMFYSA-N 0 0 315.421 3.034 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000613274656 400687613 /nfs/dbraw/zinc/68/76/13/400687613.db2.gz HHVSGZOBHLQQHJ-SECBINFHSA-N 0 0 302.296 3.281 10 30 DGEERN C=CCN(Cc1cc2n(n1)CCCC2)Cc1cccc(C#N)c1 ZINC000593003117 400731107 /nfs/dbraw/zinc/73/11/07/400731107.db2.gz KMVXVQPFECIWBF-UHFFFAOYSA-N 0 0 306.413 3.279 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCCC(C)(C)C ZINC000603907152 400731244 /nfs/dbraw/zinc/73/12/44/400731244.db2.gz WLAVWVFUMDTEBN-UHFFFAOYSA-N 0 0 320.389 3.255 10 30 DGEERN CC1(C)COc2c1cccc2C(=O)NCc1ccc(C#N)cc1F ZINC000619016829 400745864 /nfs/dbraw/zinc/74/58/64/400745864.db2.gz SECOFZUMZWQNBS-UHFFFAOYSA-N 0 0 324.355 3.297 10 30 DGEERN C=CCCCN(C)C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC000593067771 400751473 /nfs/dbraw/zinc/75/14/73/400751473.db2.gz MCLRJGQCKYGQQP-GOSISDBHSA-N 0 0 307.434 3.479 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C(C)(C)C)c1O ZINC000613632380 400766541 /nfs/dbraw/zinc/76/65/41/400766541.db2.gz WEPPLXCRAJRCKJ-OAHLLOKOSA-N 0 0 318.417 3.099 10 30 DGEERN Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000170708000 400770057 /nfs/dbraw/zinc/77/00/57/400770057.db2.gz ATNPNYQAJOBGJE-UHFFFAOYSA-N 0 0 320.801 3.345 10 30 DGEERN C=CCN(C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613663906 400772567 /nfs/dbraw/zinc/77/25/67/400772567.db2.gz DDDVPUZVUJHVSY-UHFFFAOYSA-N 0 0 323.234 3.307 10 30 DGEERN C=CCC1(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)CCCC1 ZINC000619115039 400772927 /nfs/dbraw/zinc/77/29/27/400772927.db2.gz SCIOXKDIROVXGQ-CQSZACIVSA-N 0 0 303.402 3.468 10 30 DGEERN Cn1cc(N2CCC[C@H](Nc3ccc(Cl)cc3C#N)C2)cn1 ZINC000078368162 400793445 /nfs/dbraw/zinc/79/34/45/400793445.db2.gz UEMDMORYPWACIK-AWEZNQCLSA-N 0 0 315.808 3.026 10 30 DGEERN C=CCC[C@H](C(=O)NCCc1cncc(C)n1)c1ccccc1 ZINC000619201524 400798898 /nfs/dbraw/zinc/79/88/98/400798898.db2.gz VPERVLBOKNBEDM-SFHVURJKSA-N 0 0 309.413 3.194 10 30 DGEERN Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055564370 400877794 /nfs/dbraw/zinc/87/77/94/400877794.db2.gz ATSTXCZZTDWATJ-UHFFFAOYSA-N 0 0 324.764 3.460 10 30 DGEERN Cc1nn(C(C)(C)C)c(C)c1C(=O)NCC1CCC(C#N)CC1 ZINC000619674626 400882310 /nfs/dbraw/zinc/88/23/10/400882310.db2.gz OMZMNLSIFBWJHK-UHFFFAOYSA-N 0 0 316.449 3.315 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000180358713 400883203 /nfs/dbraw/zinc/88/32/03/400883203.db2.gz YLBZLZXHPNCQPH-CYBMUJFWSA-N 0 0 304.390 3.017 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C2CCC2)cc1 ZINC000613978321 400822145 /nfs/dbraw/zinc/82/21/45/400822145.db2.gz UHUHAMOOODHMOJ-GOSISDBHSA-N 0 0 314.429 3.041 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)CC(=C)C ZINC000613988116 400822965 /nfs/dbraw/zinc/82/29/65/400822965.db2.gz XPKMCRUWYFDRJF-YYIAUSFCSA-N 0 0 320.477 3.345 10 30 DGEERN C=CC[C@H]1N(C(=O)CC2CCN(OC)CC2)CCCC1(C)C ZINC000614054667 400831714 /nfs/dbraw/zinc/83/17/14/400831714.db2.gz GDSDZRSCPNUPSM-MRXNPFEDSA-N 0 0 308.466 3.243 10 30 DGEERN C=CC[C@@H]1N(C(=O)Cc2ccnc(OC)c2)CCCC1(C)C ZINC000614056800 400832832 /nfs/dbraw/zinc/83/28/32/400832832.db2.gz XHXUWOXZZNTYFE-HNNXBMFYSA-N 0 0 302.418 3.226 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000614117852 400840073 /nfs/dbraw/zinc/84/00/73/400840073.db2.gz WFOXCEMXJDQHOH-IRXDYDNUSA-N 0 0 314.429 3.244 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3cnc4ccccc4n3)cc2)CC1 ZINC000181529285 400888823 /nfs/dbraw/zinc/88/88/23/400888823.db2.gz UGWZGIDUDCCSMV-UHFFFAOYSA-N 0 0 314.348 3.437 10 30 DGEERN C[C@@H](Nc1ccncc1C#N)c1ccc(F)c(Br)c1 ZINC000614131224 400841355 /nfs/dbraw/zinc/84/13/55/400841355.db2.gz WGKNXBPRVRCUAR-SECBINFHSA-N 0 0 320.165 3.450 10 30 DGEERN CC1(C)C(CNC(=O)NCc2ccc(C#N)cc2F)C1(C)C ZINC000619427088 400846237 /nfs/dbraw/zinc/84/62/37/400846237.db2.gz XSKNSSFRPVSIIL-UHFFFAOYSA-N 0 0 303.381 3.179 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)CC1CCN(OC)CC1 ZINC000614242112 400861383 /nfs/dbraw/zinc/86/13/83/400861383.db2.gz NOZDLRJLHJCMGH-UHFFFAOYSA-N 0 0 316.445 3.255 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000619956769 400939060 /nfs/dbraw/zinc/93/90/60/400939060.db2.gz DUKSMIQDUPACHJ-HSBZDZAISA-N 0 0 306.381 3.293 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000633410897 400940239 /nfs/dbraw/zinc/94/02/39/400940239.db2.gz GGIWFFDJTUFJFH-MAUKXSAKSA-N 0 0 306.450 3.332 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000633411025 400940334 /nfs/dbraw/zinc/94/03/34/400940334.db2.gz HNSSIBOQAAPQHQ-MRXNPFEDSA-N 0 0 308.466 3.437 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000633410898 400940454 /nfs/dbraw/zinc/94/04/54/400940454.db2.gz GGIWFFDJTUFJFH-QAPCUYQASA-N 0 0 306.450 3.332 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccc(COC)c(OC)c1)OCC ZINC000629497538 400943254 /nfs/dbraw/zinc/94/32/54/400943254.db2.gz KWXZMHVRZFDORH-HNNXBMFYSA-N 0 0 307.390 3.151 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CC)c(Cl)c1 ZINC000614777532 400943383 /nfs/dbraw/zinc/94/33/83/400943383.db2.gz SITOXRZXKHYQNP-OAHLLOKOSA-N 0 0 308.809 3.312 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000620685959 400943700 /nfs/dbraw/zinc/94/37/00/400943700.db2.gz ARTQCSIIWFSVIG-VQIMIIECSA-N 0 0 301.430 3.404 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000620685956 400943892 /nfs/dbraw/zinc/94/38/92/400943892.db2.gz ARTQCSIIWFSVIG-APWZRJJASA-N 0 0 301.430 3.404 10 30 DGEERN O=C[C@@]1(Pc2ccccc2)C=CC=C[C@@H]1Pc1ccccc1 ZINC000214085595 400946790 /nfs/dbraw/zinc/94/67/90/400946790.db2.gz MWHLVCGXSLAIRP-OALUTQOASA-N 0 0 324.300 3.427 10 30 DGEERN CC(C)(CC(F)(F)F)NC(=O)NCc1ccc(C#N)cc1F ZINC000614812226 400949672 /nfs/dbraw/zinc/94/96/72/400949672.db2.gz WKDNSYOJNPNWFR-UHFFFAOYSA-N 0 0 317.286 3.228 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 ZINC000182232041 400892278 /nfs/dbraw/zinc/89/22/78/400892278.db2.gz PGFNONRKSCSMBH-UHFFFAOYSA-N 0 0 306.321 3.223 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000182582271 400893488 /nfs/dbraw/zinc/89/34/88/400893488.db2.gz HYGVKVHKYUJTLY-LLVKDONJSA-N 0 0 304.419 3.018 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000614424410 400899324 /nfs/dbraw/zinc/89/93/24/400899324.db2.gz YTMVCSDGJWZJBZ-WBMJQRKESA-N 0 0 320.458 3.057 10 30 DGEERN CC(C)COc1ncc(C(=O)NC2(C#N)CCCC2)cc1Cl ZINC000182981036 400900168 /nfs/dbraw/zinc/90/01/68/400900168.db2.gz TYQAUISXJRIENJ-UHFFFAOYSA-N 0 0 321.808 3.336 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CCC)CCc1ccccc1 ZINC000183594523 400901025 /nfs/dbraw/zinc/90/10/25/400901025.db2.gz ZSWREESNORDLDC-IAGOWNOFSA-N 0 0 304.434 3.024 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000183722018 400901237 /nfs/dbraw/zinc/90/12/37/400901237.db2.gz VLNNPJYXQNLLCL-HNNXBMFYSA-N 0 0 324.852 3.145 10 30 DGEERN CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC000619808946 400907973 /nfs/dbraw/zinc/90/79/73/400907973.db2.gz 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DGEERN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)C1 ZINC000632281674 401597439 /nfs/dbraw/zinc/59/74/39/401597439.db2.gz FMKBETBAPUTSLV-XJKSGUPXSA-N 0 0 303.402 3.244 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccc(OCC2CC2)nc1 ZINC000623531369 401540947 /nfs/dbraw/zinc/54/09/47/401540947.db2.gz WFQWKYUFMXWDJD-UHFFFAOYSA-N 0 0 317.433 3.272 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCCc1nc(C(C)C)no1 ZINC000623534897 401541873 /nfs/dbraw/zinc/54/18/73/401541873.db2.gz BUTQYNMFASQWIN-UHFFFAOYSA-N 0 0 308.426 3.027 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000623913309 401598123 /nfs/dbraw/zinc/59/81/23/401598123.db2.gz LHKMZJDNSNHVAP-WFASDCNBSA-N 0 0 304.365 3.257 10 30 DGEERN C=CCN(CCOC)Cc1cccc(F)c1OCC(F)(F)F ZINC000628251292 401560380 /nfs/dbraw/zinc/56/03/80/401560380.db2.gz AOWUFICXXOVAFM-UHFFFAOYSA-N 0 0 321.314 3.401 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)C1 ZINC000632754874 401623560 /nfs/dbraw/zinc/62/35/60/401623560.db2.gz WZEBOKRVNRRXRY-BEFAXECRSA-N 0 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401606461 /nfs/dbraw/zinc/60/64/61/401606461.db2.gz MKQASMGJHKSENM-JJRVBVJISA-N 0 0 312.413 3.319 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000628487254 401606700 /nfs/dbraw/zinc/60/67/00/401606700.db2.gz ARYLRMHLMXJBRT-NSHDSACASA-N 0 0 300.333 3.118 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2csc(Nc3ccccn3)n2)C1 ZINC000628487550 401606719 /nfs/dbraw/zinc/60/67/19/401606719.db2.gz IFDGMXMSRWKDQU-GFCCVEGCSA-N 0 0 314.414 3.320 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(OCCCOC)c2)C1 ZINC000628487937 401606919 /nfs/dbraw/zinc/60/69/19/401606919.db2.gz OPIWTXLFYHFILL-OAHLLOKOSA-N 0 0 303.402 3.140 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000628489068 401607001 /nfs/dbraw/zinc/60/70/01/401607001.db2.gz OLZVYXPQUJZWOF-KBPBESRZSA-N 0 0 303.377 3.459 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)C1 ZINC000628490141 401607056 /nfs/dbraw/zinc/60/70/56/401607056.db2.gz QKLMDMLCSAZOTG-LBPRGKRZSA-N 0 0 314.360 3.426 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000628489802 401607269 /nfs/dbraw/zinc/60/72/69/401607269.db2.gz HNSZCVXYZXWSTI-SNVBAGLBSA-N 0 0 310.191 3.193 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cn2)C1 ZINC000628491407 401607542 /nfs/dbraw/zinc/60/75/42/401607542.db2.gz XVUWUXHXQXXGEZ-LBPRGKRZSA-N 0 0 306.793 3.123 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cn2cc(-c3ccccc3)c(C)n2)C1 ZINC000628490873 401607589 /nfs/dbraw/zinc/60/75/89/401607589.db2.gz IICZBHZXHOOCIR-MRXNPFEDSA-N 0 0 309.413 3.283 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC000628491670 401607617 /nfs/dbraw/zinc/60/76/17/401607617.db2.gz FGLLQWOQXZEQBC-HUUCEWRRSA-N 0 0 302.393 3.077 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C[C@H]2CSc3ccccc3O2)C1 ZINC000628493241 401608398 /nfs/dbraw/zinc/60/83/98/401608398.db2.gz MAMIJPURIVDQTA-KBPBESRZSA-N 0 0 303.427 3.354 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000623991710 401610160 /nfs/dbraw/zinc/61/01/60/401610160.db2.gz OWZGHEUBODZUIS-STQMWFEESA-N 0 0 306.406 3.419 10 30 DGEERN C=C1CC(C)(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)C1 ZINC000632484599 401610472 /nfs/dbraw/zinc/61/04/72/401610472.db2.gz JIJFHSKRMFSYFG-CQSZACIVSA-N 0 0 304.459 3.310 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)NCc1csc(C)c1C ZINC000632541749 401613425 /nfs/dbraw/zinc/61/34/25/401613425.db2.gz BVNJSUBBHCFVDQ-UHFFFAOYSA-N 0 0 322.474 3.186 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)C1 ZINC000632557172 401614629 /nfs/dbraw/zinc/61/46/29/401614629.db2.gz GMQSEFFOUSVSCY-ZACQAIPSSA-N 0 0 315.413 3.084 10 30 DGEERN C=C1CC(C)(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)C1 ZINC000632557170 401614681 /nfs/dbraw/zinc/61/46/81/401614681.db2.gz GMQSEFFOUSVSCY-IKGGRYGDSA-N 0 0 315.413 3.084 10 30 DGEERN C=C1CC(C)(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000632582163 401615553 /nfs/dbraw/zinc/61/55/53/401615553.db2.gz QKIOEGCRRCJJDZ-HNNXBMFYSA-N 0 0 307.340 3.221 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2ccc(OC)c(OC)c2Cl)C1 ZINC000633204399 401660101 /nfs/dbraw/zinc/66/01/01/401660101.db2.gz USDKOLKCPSDWQR-UHFFFAOYSA-N 0 0 323.820 3.372 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCC[C@@H]1CCCOC1 ZINC000624448630 401661212 /nfs/dbraw/zinc/66/12/12/401661212.db2.gz GQMPVNHEQBPYBK-SFHVURJKSA-N 0 0 316.445 3.243 10 30 DGEERN C=C1CC(C)(C(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)C1 ZINC000633186229 401658423 /nfs/dbraw/zinc/65/84/23/401658423.db2.gz IKJLRAOUFQTSKE-AWEZNQCLSA-N 0 0 302.393 3.219 10 30 DGEERN C=C1CC(C)(C(=O)NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000633201698 401659851 /nfs/dbraw/zinc/65/98/51/401659851.db2.gz NGUFMRTZQCRRHH-UHFFFAOYSA-N 0 0 315.804 3.498 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000624456497 401662086 /nfs/dbraw/zinc/66/20/86/401662086.db2.gz KQXIXKWXILIUFF-MRXNPFEDSA-N 0 0 317.433 3.443 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@H](O)[C@@H](C)c1ccccc1 ZINC000624460151 401662491 /nfs/dbraw/zinc/66/24/91/401662491.db2.gz NPNADFSODOBBOU-HOCLYGCPSA-N 0 0 304.434 3.053 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000624463998 401662779 /nfs/dbraw/zinc/66/27/79/401662779.db2.gz HZXVGIXAUWIIPE-MRXNPFEDSA-N 0 0 301.434 3.258 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCCCNc1ccccn1 ZINC000624465375 401662994 /nfs/dbraw/zinc/66/29/94/401662994.db2.gz ODIAQCSMSGWVTG-UHFFFAOYSA-N 0 0 304.438 3.175 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000629467531 401686918 /nfs/dbraw/zinc/68/69/18/401686918.db2.gz BQBHRBBMMFBNEB-ZDUSSCGKSA-N 0 0 307.356 3.454 10 30 DGEERN Cc1c(Cl)cnc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C#N ZINC000408193766 165948134 /nfs/dbraw/zinc/94/81/34/165948134.db2.gz DVTHPCNMNZLIOB-JSGCOSHPSA-N 0 0 307.825 3.148 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000173894602 164710512 /nfs/dbraw/zinc/71/05/12/164710512.db2.gz AZQSVHPVFOXTHR-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN CCOc1cccnc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177567611 164810342 /nfs/dbraw/zinc/81/03/42/164810342.db2.gz NRYDVLZYXHMCHQ-UHFFFAOYSA-N 0 0 301.733 3.258 10 30 DGEERN Cc1cccc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000185899955 165020002 /nfs/dbraw/zinc/02/00/02/165020002.db2.gz HTWRPDIVYAYWHS-UHFFFAOYSA-N 0 0 318.340 3.091 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@H]2CCc3ccccc3C2)cn1 ZINC000186004969 165024667 /nfs/dbraw/zinc/02/46/67/165024667.db2.gz WOIMFZYWSIWBRQ-KRWDZBQOSA-N 0 0 315.380 3.108 10 30 DGEERN CC(C)n1cc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cn1 ZINC000186017985 165025603 /nfs/dbraw/zinc/02/56/03/165025603.db2.gz WTLOMPOMHBORFG-ZDUSSCGKSA-N 0 0 321.388 3.089 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000187453771 165090951 /nfs/dbraw/zinc/09/09/51/165090951.db2.gz XAKZVZUGSFCZLO-UHFFFAOYSA-N 0 0 308.406 3.236 10 30 DGEERN CCc1noc(CC)c1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188336277 165120006 /nfs/dbraw/zinc/12/00/06/165120006.db2.gz VFMDQMJDOYRVJJ-UHFFFAOYSA-N 0 0 323.396 3.019 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCc4ccc(F)cc4C3)CC2)cc1 ZINC000188816865 165138623 /nfs/dbraw/zinc/13/86/23/165138623.db2.gz WPOQAGFZFPZAKY-UHFFFAOYSA-N 0 0 320.367 3.314 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCC[C@@H]3CCCCO3)CC2)cc1 ZINC000189123946 165150248 /nfs/dbraw/zinc/15/02/48/165150248.db2.gz NAINCJLANGFJSZ-KRWDZBQOSA-N 0 0 312.413 3.055 10 30 DGEERN CSCCCCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189189764 165152288 /nfs/dbraw/zinc/15/22/88/165152288.db2.gz USGVKRARVXXXRJ-UHFFFAOYSA-N 0 0 302.443 3.239 10 30 DGEERN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)cc1C ZINC000189480441 165162914 /nfs/dbraw/zinc/16/29/14/165162914.db2.gz ALXLMTJWZYBSNL-GOSISDBHSA-N 0 0 322.408 3.196 10 30 DGEERN COC(=O)c1cc(NCc2ccc(C#N)c(F)c2)c(F)cc1F ZINC000190334111 165199374 /nfs/dbraw/zinc/19/93/74/165199374.db2.gz RBRMODUNYXWOJK-UHFFFAOYSA-N 0 0 320.270 3.374 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000191042702 165227645 /nfs/dbraw/zinc/22/76/45/165227645.db2.gz VQGIMOLMVCUGMB-UHFFFAOYSA-N 0 0 309.749 3.325 10 30 DGEERN N#Cc1c[nH]c(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191446988 165249815 /nfs/dbraw/zinc/24/98/15/165249815.db2.gz TUWHNSRHPIUQDS-UHFFFAOYSA-N 0 0 321.302 3.481 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)ccn1 ZINC000192466144 165292794 /nfs/dbraw/zinc/29/27/94/165292794.db2.gz JTTZOELBUZUUSY-UHFFFAOYSA-N 0 0 321.258 3.147 10 30 DGEERN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192503126 165295269 /nfs/dbraw/zinc/29/52/69/165295269.db2.gz DDXWUCBJMWPCMB-UHFFFAOYSA-N 0 0 322.368 3.190 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccn1 ZINC000192642099 165299809 /nfs/dbraw/zinc/29/98/09/165299809.db2.gz DPEFAFQFIFQZSJ-UHFFFAOYSA-N 0 0 304.309 3.224 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000192706389 165302230 /nfs/dbraw/zinc/30/22/30/165302230.db2.gz JCXIPKIAODOVSW-SNVBAGLBSA-N 0 0 317.295 3.046 10 30 DGEERN N#Cc1cc(F)c(CNc2ncn(-c3ccccc3)n2)c(F)c1 ZINC000192759364 165305666 /nfs/dbraw/zinc/30/56/66/165305666.db2.gz RKIDCMBDNIOREC-UHFFFAOYSA-N 0 0 311.295 3.029 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCCc3occc32)cn1 ZINC000193289087 165322228 /nfs/dbraw/zinc/32/22/28/165322228.db2.gz OZYIKMUXXIBFBP-OAHLLOKOSA-N 0 0 305.341 3.221 10 30 DGEERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000193307187 165322889 /nfs/dbraw/zinc/32/28/89/165322889.db2.gz REBVNLURIUIFMV-LBPRGKRZSA-N 0 0 313.788 3.310 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(F)cc2C(F)(F)F)ccn1 ZINC000193537094 165326973 /nfs/dbraw/zinc/32/69/73/165326973.db2.gz ONUTZHJMZDKVQT-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN N#Cc1cc(C(=O)N2CCCSc3ccc(F)cc32)ccn1 ZINC000193749278 165331617 /nfs/dbraw/zinc/33/16/17/165331617.db2.gz XDZPPSGUDGJQLE-UHFFFAOYSA-N 0 0 313.357 3.235 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000194141038 165337222 /nfs/dbraw/zinc/33/72/22/165337222.db2.gz MAEHBMZOZLDFFC-OAHLLOKOSA-N 0 0 321.380 3.411 10 30 DGEERN CCOc1ccc(C#N)cc1NCC(=O)Nc1ccccc1F ZINC000194357459 165345003 /nfs/dbraw/zinc/34/50/03/165345003.db2.gz FCYCOCHUYATCDY-UHFFFAOYSA-N 0 0 313.332 3.147 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000247164714 165568780 /nfs/dbraw/zinc/56/87/80/165568780.db2.gz ZOZGZZHRFJMYMQ-NYTXWWLZSA-N 0 0 300.402 3.266 10 30 DGEERN COc1ccc(Cn2c(C)nnc2-c2cccc(C#N)c2)cc1F ZINC000129337963 196040601 /nfs/dbraw/zinc/04/06/01/196040601.db2.gz POPCMCRTZXVDKZ-UHFFFAOYSA-N 0 0 322.343 3.321 10 30 DGEERN Cc1cc(CCNC(=O)Nc2ccc(CC#N)cc2)cc(C)c1O ZINC000190898222 432199128 /nfs/dbraw/zinc/19/91/28/432199128.db2.gz QBPHREICQCRWCC-UHFFFAOYSA-N 0 0 323.396 3.439 10 30 DGEERN CC(C)(C)SCC(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000182658827 432215255 /nfs/dbraw/zinc/21/52/55/432215255.db2.gz HQAMXJJXHNEGDR-UHFFFAOYSA-N 0 0 303.431 3.302 10 30 DGEERN N#Cc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1O ZINC000190951202 432204824 /nfs/dbraw/zinc/20/48/24/432204824.db2.gz FLRVKOOSAMNMRA-UHFFFAOYSA-N 0 0 310.353 3.442 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000134109654 196362596 /nfs/dbraw/zinc/36/25/96/196362596.db2.gz QEERSOXKWLZTAG-IRXDYDNUSA-N 0 0 312.413 3.368 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[C@H](O)c1cccs1 ZINC000134151364 196365781 /nfs/dbraw/zinc/36/57/81/196365781.db2.gz FJODGZPLBYDJBJ-WFASDCNBSA-N 0 0 314.410 3.170 10 30 DGEERN N#Cc1cc(F)c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000151174537 196643038 /nfs/dbraw/zinc/64/30/38/196643038.db2.gz DTPMESIQJPVGPP-KBPBESRZSA-N 0 0 312.319 3.370 10 30 DGEERN CCOc1ccccc1C(F)(F)C(=O)NC1(C#N)CCCC1 ZINC000127978278 227005269 /nfs/dbraw/zinc/00/52/69/227005269.db2.gz CDELRHVNCCXGMR-UHFFFAOYSA-N 0 0 308.328 3.130 10 30 DGEERN C[C@H]1CC[C@H](C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)O1 ZINC000133752719 227038273 /nfs/dbraw/zinc/03/82/73/227038273.db2.gz ABTHYTKAYQWJLY-USCDJENESA-N 0 0 316.445 3.265 10 30 DGEERN C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)C[C@@H](C)C1 ZINC000328651663 287508116 /nfs/dbraw/zinc/50/81/16/287508116.db2.gz BPTMOZLXYIYASJ-ILXRZTDVSA-N 0 0 304.438 3.043 10 30 DGEERN Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000162592342 228259125 /nfs/dbraw/zinc/25/91/25/228259125.db2.gz CTJRMTNERBBXJM-OAHLLOKOSA-N 0 0 308.381 3.372 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000163517558 228262094 /nfs/dbraw/zinc/26/20/94/228262094.db2.gz YVDFFUSQQDLVFQ-OAHLLOKOSA-N 0 0 319.408 3.048 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)C1CCCC1 ZINC000172094752 228274791 /nfs/dbraw/zinc/27/47/91/228274791.db2.gz MCFWTOZOKMGGFI-ZDUSSCGKSA-N 0 0 316.449 3.041 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)ccc1Cl ZINC000175671943 228304424 /nfs/dbraw/zinc/30/44/24/228304424.db2.gz SWYIIKQXHOVYPL-TXEJJXNPSA-N 0 0 324.833 3.022 10 30 DGEERN O=C(C#Cc1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000176447137 228313606 /nfs/dbraw/zinc/31/36/06/228313606.db2.gz VPNZRWPPMXXBGD-UHFFFAOYSA-N 0 0 322.383 3.280 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000176534958 228315316 /nfs/dbraw/zinc/31/53/16/228315316.db2.gz KPSYEXQEVKETDB-UHFFFAOYSA-N 0 0 322.393 3.196 10 30 DGEERN Cc1cc(C)n([C@H](C)C(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000178623811 228344468 /nfs/dbraw/zinc/34/44/68/228344468.db2.gz MQHDWNJXXYUEFK-NVXWUHKLSA-N 0 0 310.401 3.222 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)NCCc1ccsc1 ZINC000180027598 228354278 /nfs/dbraw/zinc/35/42/78/228354278.db2.gz XLSVHMNUGKMWLG-GFCCVEGCSA-N 0 0 315.398 3.403 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180203162 228355001 /nfs/dbraw/zinc/35/50/01/228355001.db2.gz VXPHPGLDEVNQCV-UHFFFAOYSA-N 0 0 319.364 3.391 10 30 DGEERN CO[C@@]1(C)C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1(C)C ZINC000181514305 228362728 /nfs/dbraw/zinc/36/27/28/228362728.db2.gz BWJGXHOUKMVWLC-YJBOKZPZSA-N 0 0 312.413 3.175 10 30 DGEERN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000182230214 228366431 /nfs/dbraw/zinc/36/64/31/228366431.db2.gz HFIYYZIXCZIJPW-UHFFFAOYSA-N 0 0 320.348 3.247 10 30 DGEERN O=C(NC1CCC1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000328641397 228905869 /nfs/dbraw/zinc/90/58/69/228905869.db2.gz DFACRKSDFJNKOF-UHFFFAOYSA-N 0 0 316.401 3.283 10 30 DGEERN Cc1cc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)o1 ZINC000328633068 228906251 /nfs/dbraw/zinc/90/62/51/228906251.db2.gz SJGRBACAEVQXJJ-DIOULYMOSA-N 0 0 317.389 3.425 10 30 DGEERN Cc1ccc(NC(=O)C[C@@H](C)N2CCCCC2=O)c2n[nH]cc21 ZINC000328681797 228907746 /nfs/dbraw/zinc/90/77/46/228907746.db2.gz CSMLWCLILCOHKH-GFCCVEGCSA-N 0 0 314.389 3.250 10 30 DGEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1COc2ccccc2C1 ZINC000328684427 228908069 /nfs/dbraw/zinc/90/80/69/228908069.db2.gz WVOAVGBNWIAXMX-KBPBESRZSA-N 0 0 302.374 3.236 10 30 DGEERN Cc1cc2c(cc1NC(=O)C[C@H]1CCCCNC1=O)OCO2 ZINC000329514188 228946977 /nfs/dbraw/zinc/94/69/77/228946977.db2.gz OASGAMVIVDQKTO-LLVKDONJSA-N 0 0 304.346 3.458 10 30 DGEERN O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@@](F)(CO)C1 ZINC000329839577 228963360 /nfs/dbraw/zinc/96/33/60/228963360.db2.gz WBBWCBJBVYVPFI-PBHICJAKSA-N 0 0 312.429 3.200 10 30 DGEERN CSc1c(C(=O)NC2CCC3(CCOCC3)CC2)cnn1C ZINC000330060076 228974239 /nfs/dbraw/zinc/97/42/39/228974239.db2.gz MBZVEQTWIFXFSO-UHFFFAOYSA-N 0 0 323.462 3.186 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000333159380 229037472 /nfs/dbraw/zinc/03/74/72/229037472.db2.gz GZDDDNOVRCFTOQ-BHYGNILZSA-N 0 0 319.449 3.059 10 30 DGEERN N#C[C@@]1(C(=O)N2CCO[C@@H](C3CCCCC3)C2)CC12CCCC2 ZINC000333668433 229039033 /nfs/dbraw/zinc/03/90/33/229039033.db2.gz IKGOMRUGBFIMMX-VQIMIIECSA-N 0 0 316.445 3.268 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000334129405 229040733 /nfs/dbraw/zinc/04/07/33/229040733.db2.gz SFEJVMLVIOZFTR-MLHJIOFPSA-N 0 0 312.413 3.271 10 30 DGEERN CO[C@@H](C)[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000359531424 229379328 /nfs/dbraw/zinc/37/93/28/229379328.db2.gz AQRACTGBBWPLJO-KGLIPLIRSA-N 0 0 313.401 3.098 10 30 DGEERN CCc1nn(-c2ccc(Br)cn2)c(Cl)c1C#N ZINC000087847130 259044841 /nfs/dbraw/zinc/04/48/41/259044841.db2.gz MKFHCVPHKGOAQW-UHFFFAOYSA-N 0 0 311.570 3.117 10 30 DGEERN Cc1ccc(NC[C@H](O)c2ccc(OC(F)F)cc2)nc1C#N ZINC000302677025 230344456 /nfs/dbraw/zinc/34/44/56/230344456.db2.gz UWDGLMLIUULNJZ-AWEZNQCLSA-N 0 0 319.311 3.009 10 30 DGEERN Cc1ccc(NC[C@@H](O)c2ccc(OC(F)F)cc2)nc1C#N ZINC000302677026 230344520 /nfs/dbraw/zinc/34/45/20/230344520.db2.gz UWDGLMLIUULNJZ-CQSZACIVSA-N 0 0 319.311 3.009 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)c1ccc(C#N)s1 ZINC000362926529 269783133 /nfs/dbraw/zinc/78/31/33/269783133.db2.gz BNBAAGIXSYNLCA-UHFFFAOYSA-N 0 0 306.774 3.212 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182811170 432231981 /nfs/dbraw/zinc/23/19/81/432231981.db2.gz FQJKFLWKBHWCST-GWCFXTLKSA-N 0 0 316.323 3.003 10 30 DGEERN C=CC(C)(C)CCNc1ncnc2ccc(S(C)(=O)=O)cc21 ZINC000528075256 424837566 /nfs/dbraw/zinc/83/75/66/424837566.db2.gz QTJJCQCKLCVJDY-UHFFFAOYSA-N 0 0 319.430 3.048 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527616932 266845428 /nfs/dbraw/zinc/84/54/28/266845428.db2.gz RKLLJBGUWNOEKC-UHFFFAOYSA-N 0 0 320.396 3.237 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000531386349 267013843 /nfs/dbraw/zinc/01/38/43/267013843.db2.gz JPNAMRQGPDNAAX-UHFFFAOYSA-N 0 0 317.392 3.411 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000370232629 267287206 /nfs/dbraw/zinc/28/72/06/267287206.db2.gz JLKZVBABLUKOKJ-ZDUSSCGKSA-N 0 0 322.412 3.457 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(c3cccc(F)c3F)CC2)n1 ZINC000376476205 267313241 /nfs/dbraw/zinc/31/32/41/267313241.db2.gz YENMNIGKCAOLHG-UHFFFAOYSA-N 0 0 314.339 3.319 10 30 DGEERN Cc1cc(C#N)nc(N2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000367276088 267315113 /nfs/dbraw/zinc/31/51/13/267315113.db2.gz AAXUQUNSJSPJDT-HNNXBMFYSA-N 0 0 300.312 3.276 10 30 DGEERN C[C@@H]1CSCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000191245896 432238242 /nfs/dbraw/zinc/23/82/42/432238242.db2.gz KGXADLZXBXNHMZ-ZDUSSCGKSA-N 0 0 300.427 3.067 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(F)ccc2Br)c1 ZINC000357427586 268296938 /nfs/dbraw/zinc/29/69/38/268296938.db2.gz QWNRWOCRWCWSAX-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC000530680114 268277444 /nfs/dbraw/zinc/27/74/44/268277444.db2.gz BKPDLYCVLLDPMK-UHFFFAOYSA-N 0 0 320.270 3.464 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2c(F)cccc2NC2CC2)c1 ZINC000531582920 268277462 /nfs/dbraw/zinc/27/74/62/268277462.db2.gz ZNFQELMVPLHIGM-UHFFFAOYSA-N 0 0 309.344 3.453 10 30 DGEERN N#Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000151444693 432247311 /nfs/dbraw/zinc/24/73/11/432247311.db2.gz PJOCTOIPJVUNQN-HZPDHXFCSA-N 0 0 321.332 3.039 10 30 DGEERN N#Cc1cc(N2CC[C@H]3CCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC000408435892 274920635 /nfs/dbraw/zinc/92/06/35/274920635.db2.gz RFOSKRFXUKRELB-BZNIZROVSA-N 0 0 308.341 3.393 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000425569146 275437567 /nfs/dbraw/zinc/43/75/67/275437567.db2.gz XXZVXNHQUHHUPJ-UGUYLWEFSA-N 0 0 308.466 3.434 10 30 DGEERN CCN(C(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1cccnc1 ZINC000115656456 276062553 /nfs/dbraw/zinc/06/25/53/276062553.db2.gz BTDWZUQFBPASIU-AWEZNQCLSA-N 0 0 308.385 3.246 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCC2CCC(C#N)CC2)C1(C)C ZINC000442720592 276343258 /nfs/dbraw/zinc/34/32/58/276343258.db2.gz JVCXSKHWSLSEEJ-QDIHITRGSA-N 0 0 321.465 3.161 10 30 DGEERN CCOc1ccc(/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000004956679 276372195 /nfs/dbraw/zinc/37/21/95/276372195.db2.gz RSEVQSLQNFFBRL-UHFFFAOYSA-N 0 0 311.297 3.066 10 30 DGEERN CCO[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C ZINC000450742255 276469086 /nfs/dbraw/zinc/46/90/86/276469086.db2.gz ANXRFSYXHAZJIU-ZYHUDNBSSA-N 0 0 313.323 3.223 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000412664449 276865234 /nfs/dbraw/zinc/86/52/34/276865234.db2.gz XOXVCQAMPAEMSP-KUHUBIRLSA-N 0 0 313.397 3.225 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H]1CCCc2nc(C)sc21)OCC ZINC000367880744 276872669 /nfs/dbraw/zinc/87/26/69/276872669.db2.gz VQORXNYOHRUUJH-KBPBESRZSA-N 0 0 308.447 3.316 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000279094799 276874449 /nfs/dbraw/zinc/87/44/49/276874449.db2.gz WQGIECVEJKWQLE-USXIJHARSA-N 0 0 303.377 3.123 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000485732136 276875442 /nfs/dbraw/zinc/87/54/42/276875442.db2.gz OVHUFMMKMACKEZ-GDBMZVCRSA-N 0 0 301.386 3.320 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000459036213 276920020 /nfs/dbraw/zinc/92/00/20/276920020.db2.gz UDTBOGVDPLCHAL-ZACQAIPSSA-N 0 0 318.392 3.406 10 30 DGEERN Cc1ccccc1-c1cc(NC(=O)Cc2cccc(C#N)c2)n[nH]1 ZINC000530680172 430121322 /nfs/dbraw/zinc/12/13/22/430121322.db2.gz LKYCMWSJEZKCMO-UHFFFAOYSA-N 0 0 316.364 3.438 10 30 DGEERN Cc1ccc(-c2cc(NC(=O)Cc3cccc(C#N)c3)n[nH]2)s1 ZINC000530919187 430127683 /nfs/dbraw/zinc/12/76/83/430127683.db2.gz ZYHQZVKNTANTQS-UHFFFAOYSA-N 0 0 322.393 3.500 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(-c3ccccc3)on2)c1 ZINC000531157685 430133465 /nfs/dbraw/zinc/13/34/65/430133465.db2.gz HQVXLPDGGGEIFA-UHFFFAOYSA-N 0 0 303.321 3.394 10 30 DGEERN CO[C@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1C ZINC000300013700 277344358 /nfs/dbraw/zinc/34/43/58/277344358.db2.gz QGHPNTRRJZLHQK-YGRLFVJLSA-N 0 0 309.207 3.182 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCOC(C)(C)[C@H]1C ZINC000460385520 277787496 /nfs/dbraw/zinc/78/74/96/277787496.db2.gz HWHAZHCSFNZCFP-ZIAGYGMSSA-N 0 0 306.454 3.371 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000346186093 277793795 /nfs/dbraw/zinc/79/37/95/277793795.db2.gz QGSAUPQJMXKRCH-JJXSEGSLSA-N 0 0 309.450 3.068 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C)c2ccc(Cl)cc21 ZINC000486181877 277805531 /nfs/dbraw/zinc/80/55/31/277805531.db2.gz WFCWSDSDBPBYSE-CZUORRHYSA-N 0 0 320.820 3.104 10 30 DGEERN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCc2cncnc2C1 ZINC000328955443 277806111 /nfs/dbraw/zinc/80/61/11/277806111.db2.gz YXSDGAMVAFFYEL-ACJLOTCBSA-N 0 0 322.412 3.072 10 30 DGEERN N#Cc1ccc(N[C@@H]2C[C@@H]2c2cccc(Br)c2)nn1 ZINC000611240390 430568510 /nfs/dbraw/zinc/56/85/10/430568510.db2.gz GBCAYMYKKOJNEK-CHWSQXEVSA-N 0 0 315.174 3.079 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1nn(Cc2ccccc2)cc1C ZINC000603206422 430547177 /nfs/dbraw/zinc/54/71/77/430547177.db2.gz JWFVUYRRNHJZSV-UHFFFAOYSA-N 0 0 323.400 3.173 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@@H](C)C2CCC(F)CC2)s1 ZINC000622177953 430609227 /nfs/dbraw/zinc/60/92/27/430609227.db2.gz KNOGSNATGDKESR-UNXYVOJBSA-N 0 0 311.426 3.388 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000184812622 335088828 /nfs/dbraw/zinc/08/88/28/335088828.db2.gz NQTVUPKDXNBBIP-SNVBAGLBSA-N 0 0 302.346 3.060 10 30 DGEERN CC1(C)CCCC[C@@H]1C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000448348285 278202947 /nfs/dbraw/zinc/20/29/47/278202947.db2.gz JDVWFIDNHXXGJT-SNVBAGLBSA-N 0 0 304.419 3.015 10 30 DGEERN CC1(C)CCCN(C(=O)Cc2ccc(O)cc2Cl)[C@@H]1C#N ZINC000408400459 278212085 /nfs/dbraw/zinc/21/20/85/278212085.db2.gz SHNRMCWJLSEDSN-CQSZACIVSA-N 0 0 306.793 3.129 10 30 DGEERN CC1(C)CC[C@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000192992751 278282274 /nfs/dbraw/zinc/28/22/74/278282274.db2.gz LKBGCHAKQGHPKR-KRWDZBQOSA-N 0 0 305.381 3.496 10 30 DGEERN CC1(C)C[C@]1(C#N)NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000362173506 278393883 /nfs/dbraw/zinc/39/38/83/278393883.db2.gz NCPIYOISFWUENT-MRXNPFEDSA-N 0 0 315.760 3.417 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C#Cc1ccccc1 ZINC000176199001 278859569 /nfs/dbraw/zinc/85/95/69/278859569.db2.gz GNOKFBOWXIFPCK-APWZRJJASA-N 0 0 305.377 3.027 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330065743 279020063 /nfs/dbraw/zinc/02/00/63/279020063.db2.gz DGDYAMOSGCMQAQ-HFBAOOFYSA-N 0 0 310.401 3.224 10 30 DGEERN N#CCCN(CC1CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124403 431172565 /nfs/dbraw/zinc/17/25/65/431172565.db2.gz ZAEFBHMWXUXOEB-KGLIPLIRSA-N 0 0 304.340 3.221 10 30 DGEERN C=CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000110362958 431186550 /nfs/dbraw/zinc/18/65/50/431186550.db2.gz OBCIQDUWACELMB-CXAGYDPISA-N 0 0 312.413 3.319 10 30 DGEERN N#C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)C1CC1 ZINC000108834782 431158053 /nfs/dbraw/zinc/15/80/53/431158053.db2.gz JJEDJIUOXFRQPO-OAHLLOKOSA-N 0 0 309.369 3.083 10 30 DGEERN N#CCSCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129506512 279481669 /nfs/dbraw/zinc/48/16/69/279481669.db2.gz YAMQOYHJEOAQAL-CQSZACIVSA-N 0 0 316.426 3.196 10 30 DGEERN CCCCCCCCCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112647136 431290427 /nfs/dbraw/zinc/29/04/27/431290427.db2.gz XEQLQJNWURMUQO-OAHLLOKOSA-N 0 0 306.454 3.240 10 30 DGEERN COC(=O)c1cc(F)ccc1CN(CCC#N)CCC(C)C ZINC000072691703 431348536 /nfs/dbraw/zinc/34/85/36/431348536.db2.gz QOQSGQNSXGMOFL-UHFFFAOYSA-N 0 0 306.381 3.374 10 30 DGEERN COC[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000113539736 431352193 /nfs/dbraw/zinc/35/21/93/431352193.db2.gz ITAYUBZONDBPCU-CQSZACIVSA-N 0 0 315.417 3.378 10 30 DGEERN O=C(N[C@H]1CCCNC1=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000329513762 279716223 /nfs/dbraw/zinc/71/62/23/279716223.db2.gz LNTXJUUVRLWSRY-PWSUYJOCSA-N 0 0 308.765 3.282 10 30 DGEERN CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](C)c1cccnc1 ZINC000115229778 431441402 /nfs/dbraw/zinc/44/14/02/431441402.db2.gz SOOUTBJXTMNBIE-HNNXBMFYSA-N 0 0 307.397 3.496 10 30 DGEERN C[C@H]1CN(C(=O)c2ccnc(C#N)c2)c2cc(Cl)ccc2O1 ZINC000193387867 279823387 /nfs/dbraw/zinc/82/33/87/279823387.db2.gz SORNZFAGLYDHET-JTQLQIEISA-N 0 0 313.744 3.034 10 30 DGEERN C[C@H]1CC[C@H](C)N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000075286951 431465517 /nfs/dbraw/zinc/46/55/17/431465517.db2.gz NGEQGVSHOWTLDH-KBPBESRZSA-N 0 0 302.443 3.438 10 30 DGEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1ccco1 ZINC000116294625 431498486 /nfs/dbraw/zinc/49/84/86/431498486.db2.gz HCQZPQDVYFPYPV-CZUORRHYSA-N 0 0 309.369 3.315 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000116862658 431535953 /nfs/dbraw/zinc/53/59/53/431535953.db2.gz HIGWVMYDRKFQKV-CYBMUJFWSA-N 0 0 324.380 3.272 10 30 DGEERN C=CC[C@H](C)NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000117043328 431545463 /nfs/dbraw/zinc/54/54/63/431545463.db2.gz SFQZTVZGPAABKJ-LBPRGKRZSA-N 0 0 317.364 3.287 10 30 DGEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(C#N)c1 ZINC000103377858 280023556 /nfs/dbraw/zinc/02/35/56/280023556.db2.gz SEBYYXGPXCDFAY-NSHDSACASA-N 0 0 307.309 3.058 10 30 DGEERN CCS[C@H]1CCC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000357134274 280059007 /nfs/dbraw/zinc/05/90/07/280059007.db2.gz WIMCHBDEQCWTJN-KGLIPLIRSA-N 0 0 309.479 3.386 10 30 DGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000117598594 431570520 /nfs/dbraw/zinc/57/05/20/431570520.db2.gz NQKKSSZGEVOGGK-ACJLOTCBSA-N 0 0 306.365 3.081 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(C(=O)NCCC)c1 ZINC000077267559 431577437 /nfs/dbraw/zinc/57/74/37/431577437.db2.gz QKKHLIQQOLJPDG-UHFFFAOYSA-N 0 0 303.406 3.256 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000178700864 280316210 /nfs/dbraw/zinc/31/62/10/280316210.db2.gz JYCLVMIZGMKOIP-MRXNPFEDSA-N 0 0 310.328 3.259 10 30 DGEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2 ZINC000329339778 280403581 /nfs/dbraw/zinc/40/35/81/280403581.db2.gz NXCYUPLASKFDFI-UKRRQHHQSA-N 0 0 317.389 3.191 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000118703278 431613166 /nfs/dbraw/zinc/61/31/66/431613166.db2.gz WBOIQTRIAPPDKB-GFCCVEGCSA-N 0 0 324.384 3.345 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000077862615 431627580 /nfs/dbraw/zinc/62/75/80/431627580.db2.gz VDTAIFURNVJXOK-UHFFFAOYSA-N 0 0 315.200 3.357 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nnc(C)n1CCC ZINC000118977438 431628778 /nfs/dbraw/zinc/62/87/78/431628778.db2.gz RKPGVCNHADOOLG-UHFFFAOYSA-N 0 0 316.361 3.212 10 30 DGEERN C[C@H](NC(=O)[C@H](C)N(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325287 431672065 /nfs/dbraw/zinc/67/20/65/431672065.db2.gz INXPZHHIYDCSNS-HOTGVXAUSA-N 0 0 321.424 3.256 10 30 DGEERN N#CC1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000119310662 431676017 /nfs/dbraw/zinc/67/60/17/431676017.db2.gz SKVDRADWSYJBHT-MRXNPFEDSA-N 0 0 301.365 3.148 10 30 DGEERN N#CCCCC[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000078712962 431698977 /nfs/dbraw/zinc/69/89/77/431698977.db2.gz AZOLDZLINCVBEC-OAQYLSRUSA-N 0 0 306.362 3.423 10 30 DGEERN C#CCCCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000120243134 431724730 /nfs/dbraw/zinc/72/47/30/431724730.db2.gz PKOAJVYZLYBXSG-UHFFFAOYSA-N 0 0 301.390 3.026 10 30 DGEERN CCOc1c(F)cccc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000079487442 431724924 /nfs/dbraw/zinc/72/49/24/431724924.db2.gz MDICKGXYXKMHQI-UHFFFAOYSA-N 0 0 312.344 3.368 10 30 DGEERN N#CC1(NC(=O)c2cc3c(cccc3OC(F)F)[nH]2)CCCC1 ZINC000119995355 431721927 /nfs/dbraw/zinc/72/19/27/431721927.db2.gz XXCZFKLNXXTMQE-UHFFFAOYSA-N 0 0 319.311 3.335 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000121463164 431788744 /nfs/dbraw/zinc/78/87/44/431788744.db2.gz JUVZDLJKLRCLBW-ZDUSSCGKSA-N 0 0 314.389 3.405 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)C1CCOCC1 ZINC000121515851 431798843 /nfs/dbraw/zinc/79/88/43/431798843.db2.gz KITGIXMARRACGM-OAHLLOKOSA-N 0 0 317.429 3.273 10 30 DGEERN C=CCNC(=O)[C@H](C)SCc1csc(Br)c1 ZINC000121996718 431808470 /nfs/dbraw/zinc/80/84/70/431808470.db2.gz KLQPMGXOYKBPGI-QMMMGPOBSA-N 0 0 320.277 3.435 10 30 DGEERN O[C@H](CN[C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000122030790 431810508 /nfs/dbraw/zinc/81/05/08/431810508.db2.gz ILNHDVYTASPPAJ-VXNVDRBHSA-N 0 0 323.183 3.081 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000080738113 431775795 /nfs/dbraw/zinc/77/57/95/431775795.db2.gz ZNPVBFSKJURAKP-IRXDYDNUSA-N 0 0 308.385 3.170 10 30 DGEERN C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)c2ccccc2S1 ZINC000080976205 431778056 /nfs/dbraw/zinc/77/80/56/431778056.db2.gz SOYNZMRSAGXPCL-GFCCVEGCSA-N 0 0 311.410 3.428 10 30 DGEERN C[C@H](NC(=O)CSCC#N)c1ccc(Cl)c(Cl)c1 ZINC000032689429 431787121 /nfs/dbraw/zinc/78/71/21/431787121.db2.gz HDLRFRCHQQYELK-QMMMGPOBSA-N 0 0 303.214 3.427 10 30 DGEERN N#Cc1cc(CNc2ccccc2C(=O)NC2CC2)ccc1F ZINC000123747489 431873340 /nfs/dbraw/zinc/87/33/40/431873340.db2.gz WOSVYTBIVGFGPE-UHFFFAOYSA-N 0 0 309.344 3.202 10 30 DGEERN C=CCCCN(C)C(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC000122448248 431834413 /nfs/dbraw/zinc/83/44/13/431834413.db2.gz INGGEIFJAJBQEZ-UHFFFAOYSA-N 0 0 317.355 3.029 10 30 DGEERN CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000047282134 431907762 /nfs/dbraw/zinc/90/77/62/431907762.db2.gz OGJBYZUEOKYMPB-UHFFFAOYSA-N 0 0 312.822 3.165 10 30 DGEERN CN(C(=O)c1cccc(C(=O)OC(C)(C)C)c1)C1(C#N)CCC1 ZINC000094054655 431918323 /nfs/dbraw/zinc/91/83/23/431918323.db2.gz VBOLTZZELQQVDQ-UHFFFAOYSA-N 0 0 314.385 3.160 10 30 DGEERN N#CC1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCC1 ZINC000094351418 431919367 /nfs/dbraw/zinc/91/93/67/431919367.db2.gz QDIHQLIAWIENNW-UHFFFAOYSA-N 0 0 300.255 3.411 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(CNc2cc(C#N)ccn2)CC1 ZINC000095083866 431921034 /nfs/dbraw/zinc/92/10/34/431921034.db2.gz JFQINHYTNHJFCZ-UHFFFAOYSA-N 0 0 316.405 3.012 10 30 DGEERN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)S1 ZINC000078480212 288272884 /nfs/dbraw/zinc/27/28/84/288272884.db2.gz KXBSRTFNTHKFIM-RKDXNWHRSA-N 0 0 301.337 3.302 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000123854985 431876193 /nfs/dbraw/zinc/87/61/93/431876193.db2.gz AEERGSZFRDLGSQ-HNNXBMFYSA-N 0 0 321.380 3.220 10 30 DGEERN C=C(C)CN(CC)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000089751167 431877397 /nfs/dbraw/zinc/87/73/97/431877397.db2.gz YHWWZYKOIZXKTH-UHFFFAOYSA-N 0 0 323.383 3.438 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H](C)CCC(=O)OCC)c1 ZINC000089865624 431883381 /nfs/dbraw/zinc/88/33/81/431883381.db2.gz RYFGEHJOBSKLBR-ZDUSSCGKSA-N 0 0 320.389 3.105 10 30 DGEERN C=C(C)CN(CC)C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000045491981 431886035 /nfs/dbraw/zinc/88/60/35/431886035.db2.gz OLUBGBSDDPMAEB-UHFFFAOYSA-N 0 0 306.797 3.095 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000124478308 431895460 /nfs/dbraw/zinc/89/54/60/431895460.db2.gz MCFMSWPCBUTCFY-SFHVURJKSA-N 0 0 307.397 3.274 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCOC2)cc1 ZINC000091101386 431902803 /nfs/dbraw/zinc/90/28/03/431902803.db2.gz CHJFKQXLPKFKFB-GOSISDBHSA-N 0 0 320.392 3.268 10 30 DGEERN COc1cccc(O[C@@H](C)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000125930439 431938738 /nfs/dbraw/zinc/93/87/38/431938738.db2.gz PRRUNUCFWUVQES-AWEZNQCLSA-N 0 0 324.380 3.073 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@H]2CNc2cnc(C#N)cn2)cc1 ZINC000125991506 431940605 /nfs/dbraw/zinc/94/06/05/431940605.db2.gz WHIQCBMGEAVFIO-YJBOKZPZSA-N 0 0 308.385 3.237 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000126379527 431949185 /nfs/dbraw/zinc/94/91/85/431949185.db2.gz PNCITPJYLAGLNE-NSHDSACASA-N 0 0 312.373 3.038 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C[S@@](C)=O ZINC000191481207 432269103 /nfs/dbraw/zinc/26/91/03/432269103.db2.gz BFTWSKWKNFVBBP-MCMMXHMISA-N 0 0 322.474 3.427 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(C)(C)C(N)=O ZINC000191514392 432273318 /nfs/dbraw/zinc/27/33/18/432273318.db2.gz VYRFGXFUFBMMGJ-UHFFFAOYSA-N 0 0 317.433 3.172 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000128403500 431994301 /nfs/dbraw/zinc/99/43/01/431994301.db2.gz IIPAPYMROGDEEN-RDJZCZTQSA-N 0 0 300.402 3.048 10 30 DGEERN CC(C)c1cc(C(=O)N[C@H](C#N)C2CC2)nn1-c1ccccc1 ZINC000151609061 432261129 /nfs/dbraw/zinc/26/11/29/432261129.db2.gz POVSOOCXMKAFNC-MRXNPFEDSA-N 0 0 308.385 3.028 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000173214807 432265048 /nfs/dbraw/zinc/26/50/48/432265048.db2.gz QSEGDOXTCPLXTK-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCSC(F)(F)F)cc2)CC1 ZINC000183176076 432265332 /nfs/dbraw/zinc/26/53/32/432265332.db2.gz LTIXVBWFUYPPBJ-UHFFFAOYSA-N 0 0 314.332 3.225 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000192066315 432331170 /nfs/dbraw/zinc/33/11/70/432331170.db2.gz INEWIWNTVBVWGP-FCEWJHQRSA-N 0 0 303.446 3.335 10 30 DGEERN CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)c1ccccc1F ZINC000152631627 432345914 /nfs/dbraw/zinc/34/59/14/432345914.db2.gz DJDIIAJDOMNIBG-UHFFFAOYSA-N 0 0 307.328 3.485 10 30 DGEERN Cc1ccc(C(C)(C)C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173888392 432306424 /nfs/dbraw/zinc/30/64/24/432306424.db2.gz QGNRNFZEXLCECF-UHFFFAOYSA-N 0 0 322.408 3.340 10 30 DGEERN N#Cc1nccn1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000152194151 432311531 /nfs/dbraw/zinc/31/15/31/432311531.db2.gz ZJZZOBDAVSCNBZ-UHFFFAOYSA-N 0 0 318.336 3.186 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248712025 432313585 /nfs/dbraw/zinc/31/35/85/432313585.db2.gz JKNGSXRKMRARNM-RBOXIYTFSA-N 0 0 309.356 3.201 10 30 DGEERN CSc1ccccc1NC(=O)CN(C)CC#Cc1ccccc1 ZINC000191926532 432315208 /nfs/dbraw/zinc/31/52/08/432315208.db2.gz WAOOVQZULFGVEV-UHFFFAOYSA-N 0 0 324.449 3.331 10 30 DGEERN C=CCN(C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271332781 432376301 /nfs/dbraw/zinc/37/63/01/432376301.db2.gz BIWVOLOEASMMQZ-OAHLLOKOSA-N 0 0 303.362 3.406 10 30 DGEERN CCC1(NC(=O)CCCOc2ccc(C#N)cc2OC)CCC1 ZINC000174921284 432380487 /nfs/dbraw/zinc/38/04/87/432380487.db2.gz PCMJKXCCBCMLDX-UHFFFAOYSA-N 0 0 316.401 3.175 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000153084271 432382755 /nfs/dbraw/zinc/38/27/55/432382755.db2.gz JNNBSAJGXDPGHN-AWEZNQCLSA-N 0 0 320.383 3.428 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000271379059 432383607 /nfs/dbraw/zinc/38/36/07/432383607.db2.gz ATVODHTZPWDTFO-GFCCVEGCSA-N 0 0 321.726 3.340 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000184438733 432391765 /nfs/dbraw/zinc/39/17/65/432391765.db2.gz VTSOJXLXTRWXGH-GJZGRUSLSA-N 0 0 316.449 3.270 10 30 DGEERN CCc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000254394068 432402289 /nfs/dbraw/zinc/40/22/89/432402289.db2.gz YXBCZOOHRSDXNN-UHFFFAOYSA-N 0 0 322.817 3.215 10 30 DGEERN C=CCN(C(=O)Nc1scc(C)c1C(=O)OCC)C1CC1 ZINC000271467562 432402409 /nfs/dbraw/zinc/40/24/09/432402409.db2.gz QSCODEZQTIPHMS-UHFFFAOYSA-N 0 0 308.403 3.416 10 30 DGEERN CCc1csc([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)n1 ZINC000249894551 432360157 /nfs/dbraw/zinc/36/01/57/432360157.db2.gz RISMIURRYIFLNQ-KGLIPLIRSA-N 0 0 302.447 3.328 10 30 DGEERN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nn(C)cc2C#N)cc1 ZINC000153532976 432417054 /nfs/dbraw/zinc/41/70/54/432417054.db2.gz QGNCJBUGTDWWPW-CYBMUJFWSA-N 0 0 310.401 3.232 10 30 DGEERN CCc1nc(C2(NCC#Cc3ccc(F)cc3)CCCC2)no1 ZINC000154119498 432472794 /nfs/dbraw/zinc/47/27/94/432472794.db2.gz JRKJRXKBEVMAIT-UHFFFAOYSA-N 0 0 313.376 3.182 10 30 DGEERN C[C@@H](NCc1ccc(C#N)s1)c1cn(-c2ccccc2)nn1 ZINC000154105713 432474056 /nfs/dbraw/zinc/47/40/56/432474056.db2.gz NMDRRKKUIRMYRT-GFCCVEGCSA-N 0 0 309.398 3.051 10 30 DGEERN CCC1(CC)CN([C@@H](C)c2ccc(C#N)cc2)CC[S@]1=O ZINC000185263256 432483994 /nfs/dbraw/zinc/48/39/94/432483994.db2.gz VSGBZQHKIZRCAW-LHSJRXKWSA-N 0 0 304.459 3.242 10 30 DGEERN CNC(=O)c1ccccc1OCc1ccc(Cl)cc1C#N ZINC000185335853 432490205 /nfs/dbraw/zinc/49/02/05/432490205.db2.gz ZRKIWAJQCLJWDC-UHFFFAOYSA-N 0 0 300.745 3.150 10 30 DGEERN COc1ccc(F)c(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000154559085 432506788 /nfs/dbraw/zinc/50/67/88/432506788.db2.gz LUPXAZBPXZILDR-NSHDSACASA-N 0 0 314.316 3.112 10 30 DGEERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282946 432463899 /nfs/dbraw/zinc/46/38/99/432463899.db2.gz OZEMLVNTYMBNFP-RYUDHWBXSA-N 0 0 315.373 3.347 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccccc2OCC)CC1 ZINC000185075691 432464159 /nfs/dbraw/zinc/46/41/59/432464159.db2.gz AYEQWQQHDHMWPL-MRXNPFEDSA-N 0 0 316.445 3.336 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000185578644 432512224 /nfs/dbraw/zinc/51/22/24/432512224.db2.gz ISZQCAAPXFEMTQ-CQSZACIVSA-N 0 0 320.408 3.085 10 30 DGEERN COc1cccc(Cl)c1CC(=O)Nc1ccccc1C#N ZINC000155298173 432549845 /nfs/dbraw/zinc/54/98/45/432549845.db2.gz XWBQDTLGQKQVQR-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@@H]2OC)nc2ccccc2c1=O ZINC000273093977 432550076 /nfs/dbraw/zinc/55/00/76/432550076.db2.gz JEFLKQSMHAMORK-LSDHHAIUSA-N 0 0 316.426 3.242 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000186018467 432553495 /nfs/dbraw/zinc/55/34/95/432553495.db2.gz UKBQRTYCZLWJIL-HNNXBMFYSA-N 0 0 310.397 3.437 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1O ZINC000186022930 432554304 /nfs/dbraw/zinc/55/43/04/432554304.db2.gz ULRPPFZPHMJIHJ-GFCCVEGCSA-N 0 0 305.341 3.018 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1O ZINC000186022909 432554819 /nfs/dbraw/zinc/55/48/19/432554819.db2.gz ULRPPFZPHMJIHJ-LBPRGKRZSA-N 0 0 305.341 3.018 10 30 DGEERN Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1C(F)F ZINC000263630905 432560606 /nfs/dbraw/zinc/56/06/06/432560606.db2.gz ILYYTVUGBNXYSH-UHFFFAOYSA-N 0 0 306.700 3.179 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000186164436 432563864 /nfs/dbraw/zinc/56/38/64/432563864.db2.gz YABGOAOOIVDIPG-RDJZCZTQSA-N 0 0 316.445 3.123 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1nc(C)ncc1Cl ZINC000154792512 432522194 /nfs/dbraw/zinc/52/21/94/432522194.db2.gz YXGAKDWOPVEUMZ-UHFFFAOYSA-N 0 0 307.806 3.328 10 30 DGEERN Cc1oc2ccccc2c1C(=O)NCCOc1ccc(C#N)cc1 ZINC000185679131 432523647 /nfs/dbraw/zinc/52/36/47/432523647.db2.gz RWIWIRSAXSDVCP-UHFFFAOYSA-N 0 0 320.348 3.422 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000185792728 432533074 /nfs/dbraw/zinc/53/30/74/432533074.db2.gz NRGKOTGOSQZVFD-CYBMUJFWSA-N 0 0 308.372 3.216 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000185792706 432533116 /nfs/dbraw/zinc/53/31/16/432533116.db2.gz NRGKOTGOSQZVFD-ZDUSSCGKSA-N 0 0 308.372 3.216 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000185797244 432533880 /nfs/dbraw/zinc/53/38/80/432533880.db2.gz IFGUOPGGPWMABP-KGLIPLIRSA-N 0 0 313.401 3.440 10 30 DGEERN CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185806266 432534904 /nfs/dbraw/zinc/53/49/04/432534904.db2.gz VBVPVPYZVLXBLS-ZDUSSCGKSA-N 0 0 309.797 3.082 10 30 DGEERN COc1ccc(C2(C(=O)N[C@@H](C)CC#N)CCCCC2)cc1 ZINC000194626072 432564699 /nfs/dbraw/zinc/56/46/99/432564699.db2.gz QESNRQDUEASZIP-AWEZNQCLSA-N 0 0 300.402 3.315 10 30 DGEERN C[C@@H]1COCC[C@@H]1C(=O)Nc1ccccc1SCCC#N ZINC000194317753 432541603 /nfs/dbraw/zinc/54/16/03/432541603.db2.gz AHILEPCUGNZWRZ-OLZOCXBDSA-N 0 0 304.415 3.303 10 30 DGEERN CCC1(C(=O)NCCOc2ccc(C#N)cc2)CCCCC1 ZINC000185898797 432543593 /nfs/dbraw/zinc/54/35/93/432543593.db2.gz JBINLDGQBJRCSK-UHFFFAOYSA-N 0 0 300.402 3.414 10 30 DGEERN CN(c1ccccc1)c1ccc(C(=O)NC2(C#N)CCCC2)cn1 ZINC000194344274 432543790 /nfs/dbraw/zinc/54/37/90/432543790.db2.gz KEDDGOXRPSUDHL-UHFFFAOYSA-N 0 0 320.396 3.416 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000185942166 432547408 /nfs/dbraw/zinc/54/74/08/432547408.db2.gz CYCXLNZHUKRORT-MRXNPFEDSA-N 0 0 322.364 3.017 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000186617890 432614887 /nfs/dbraw/zinc/61/48/87/432614887.db2.gz TYARLGGZDKNCOZ-AWEZNQCLSA-N 0 0 315.373 3.017 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000176954881 432568713 /nfs/dbraw/zinc/56/87/13/432568713.db2.gz REJZAXAXKOOTNR-LBPRGKRZSA-N 0 0 306.793 3.380 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccccc1-c1nncn1CC ZINC000177011053 432574006 /nfs/dbraw/zinc/57/40/06/432574006.db2.gz XOHCQQIIQQZYBZ-UHFFFAOYSA-N 0 0 313.405 3.395 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000194750184 432574267 /nfs/dbraw/zinc/57/42/67/432574267.db2.gz PUUBBKVAVDVZRV-AFAVFJNCSA-N 0 0 324.355 3.137 10 30 DGEERN N#Cc1ccc(CCC(=O)NCCc2cc(F)ccc2F)cc1 ZINC000177105728 432586734 /nfs/dbraw/zinc/58/67/34/432586734.db2.gz SQFATMSYUKMVOS-UHFFFAOYSA-N 0 0 314.335 3.128 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@H]2C)cc1 ZINC000177142685 432591225 /nfs/dbraw/zinc/59/12/25/432591225.db2.gz BRFMFZLNMLFWRK-ZIAGYGMSSA-N 0 0 315.417 3.255 10 30 DGEERN CC(C)CCN(CCC#N)Cc1ccc2c(c1)sc(=O)n2C ZINC000195007269 432592121 /nfs/dbraw/zinc/59/21/21/432592121.db2.gz FRPHOGDRDBJJER-UHFFFAOYSA-N 0 0 317.458 3.362 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)[C@H](C)C1 ZINC000186432602 432594405 /nfs/dbraw/zinc/59/44/05/432594405.db2.gz YWGZOZJHBDCDQJ-IXDOHACOSA-N 0 0 320.477 3.250 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC)c1ccc(Cl)s1 ZINC000273448455 432600370 /nfs/dbraw/zinc/60/03/70/432600370.db2.gz IGHYGPXLKPYBBF-VHSXEESVSA-N 0 0 302.827 3.089 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCC(C)(C)CCC#N)C1 ZINC000195073923 432601274 /nfs/dbraw/zinc/60/12/74/432601274.db2.gz ANSTXKXYNQAHQR-ZDUSSCGKSA-N 0 0 324.421 3.117 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000273477898 432602029 /nfs/dbraw/zinc/60/20/29/432602029.db2.gz LILNBFDECHTZHA-ONGXEEELSA-N 0 0 302.201 3.150 10 30 DGEERN N#CC1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000195325910 432619018 /nfs/dbraw/zinc/61/90/18/432619018.db2.gz CYDYUVCPXKMSSB-NEPJUHHUSA-N 0 0 303.328 3.053 10 30 DGEERN CCCC1(CNC(=O)[C@H](C)Oc2ccccc2C#N)CCC1 ZINC000157331839 432619411 /nfs/dbraw/zinc/61/94/11/432619411.db2.gz DXSCSCCYYNMFKI-AWEZNQCLSA-N 0 0 300.402 3.412 10 30 DGEERN COc1cc(C#N)ccc1CNc1ccccc1C(=O)NC1CC1 ZINC000157809051 432629950 /nfs/dbraw/zinc/62/99/50/432629950.db2.gz CIXDGTCFVWUFBM-UHFFFAOYSA-N 0 0 321.380 3.071 10 30 DGEERN C=CCCCN(C)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000187135394 432648177 /nfs/dbraw/zinc/64/81/77/432648177.db2.gz HIVBAZWALCMQDR-UHFFFAOYSA-N 0 0 319.405 3.467 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C)OCC ZINC000274298138 432648198 /nfs/dbraw/zinc/64/81/98/432648198.db2.gz FIWYCKFSYSYRQA-BBRMVZONSA-N 0 0 321.465 3.495 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)Nc2ccc(F)cc2)no1 ZINC000274314609 432650880 /nfs/dbraw/zinc/65/08/80/432650880.db2.gz GYPIYQLGDGZVSJ-LLVKDONJSA-N 0 0 303.337 3.460 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000274340588 432654528 /nfs/dbraw/zinc/65/45/28/432654528.db2.gz MEELZCLZYOCQMW-GRDNDAEWSA-N 0 0 305.418 3.490 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000188054378 432702075 /nfs/dbraw/zinc/70/20/75/432702075.db2.gz VCEWFONGOVVRJG-YVEFUNNKSA-N 0 0 309.381 3.240 10 30 DGEERN N#Cc1ccc2ncc(CNc3cccc(-c4ncco4)c3)n2c1 ZINC000160359772 432715681 /nfs/dbraw/zinc/71/56/81/432715681.db2.gz MOXXOFQHYIIIBH-UHFFFAOYSA-N 0 0 315.336 3.473 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000188479795 432726666 /nfs/dbraw/zinc/72/66/66/432726666.db2.gz BRVYTBCCOSFCPR-GOEBONIOSA-N 0 0 303.402 3.232 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(CC(=O)OCC)c1 ZINC000265718758 432723761 /nfs/dbraw/zinc/72/37/61/432723761.db2.gz NUFVHGPJLKIHII-UHFFFAOYSA-N 0 0 304.390 3.222 10 30 DGEERN C=C(C)[C@@H](NCc1nnc(C2CC2)n1C)c1ccc(F)c(F)c1 ZINC000187755989 432682739 /nfs/dbraw/zinc/68/27/39/432682739.db2.gz GUGOIXUWYAEDRW-MRXNPFEDSA-N 0 0 318.371 3.378 10 30 DGEERN C=CCCCCNC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000274630680 432691475 /nfs/dbraw/zinc/69/14/75/432691475.db2.gz YXVAMUUXMRVPHD-QGZVFWFLSA-N 0 0 318.417 3.134 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000178575542 432754349 /nfs/dbraw/zinc/75/43/49/432754349.db2.gz CDMFLXBEZABFNF-GOSISDBHSA-N 0 0 324.355 3.220 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000266503477 432759316 /nfs/dbraw/zinc/75/93/16/432759316.db2.gz AJFGYFWMOMRFJR-HOCLYGCPSA-N 0 0 309.331 3.467 10 30 DGEERN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)CCCC#N)o1 ZINC000173718029 288551917 /nfs/dbraw/zinc/55/19/17/288551917.db2.gz PAOCDLXEYHEFSI-AWEZNQCLSA-N 0 0 310.419 3.003 10 30 DGEERN COc1ccc(F)cc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000189087386 432763823 /nfs/dbraw/zinc/76/38/23/432763823.db2.gz AUWLHYLFQKFKMG-UHFFFAOYSA-N 0 0 317.295 3.167 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000189095097 432764076 /nfs/dbraw/zinc/76/40/76/432764076.db2.gz XVQZQJRTTXVVCI-SJKOYZFVSA-N 0 0 303.406 3.384 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000276046912 432768666 /nfs/dbraw/zinc/76/86/66/432768666.db2.gz XIHTZJAUVFQAGJ-GUYCJALGSA-N 0 0 303.406 3.255 10 30 DGEERN CC(F)(F)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000188562760 432731761 /nfs/dbraw/zinc/73/17/61/432731761.db2.gz MTLMEUNOXQCSJZ-UHFFFAOYSA-N 0 0 322.336 3.471 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1cn2ccnc2s1 ZINC000188556013 432731780 /nfs/dbraw/zinc/73/17/80/432731780.db2.gz YBPMHGVSCICHQL-UHFFFAOYSA-N 0 0 304.419 3.188 10 30 DGEERN C=CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000277205159 432829751 /nfs/dbraw/zinc/82/97/51/432829751.db2.gz GTORXALIGJYJSR-LLVKDONJSA-N 0 0 307.699 3.478 10 30 DGEERN COc1ccc(COc2nnc(-c3ccccc3)o2)cc1C#N ZINC000162878945 432836827 /nfs/dbraw/zinc/83/68/27/432836827.db2.gz YKYGURCRXTUFMN-UHFFFAOYSA-N 0 0 307.309 3.196 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)ccn1C ZINC000189374200 432783223 /nfs/dbraw/zinc/78/32/23/432783223.db2.gz HUMSKDVZSNXNIP-UHFFFAOYSA-N 0 0 313.357 3.070 10 30 DGEERN CO[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000189487945 432790928 /nfs/dbraw/zinc/79/09/28/432790928.db2.gz GAIPTYOLMZHXEM-HUUCEWRRSA-N 0 0 301.390 3.177 10 30 DGEERN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)C2CC2)n1 ZINC000161761450 432797186 /nfs/dbraw/zinc/79/71/86/432797186.db2.gz OQSCGHSESOAUEK-AWEZNQCLSA-N 0 0 324.384 3.066 10 30 DGEERN CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000161769673 432797343 /nfs/dbraw/zinc/79/73/43/432797343.db2.gz YEOFXPZWPKYQPJ-JKSUJKDBSA-N 0 0 302.443 3.363 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@H](C)c1ccncc1OC ZINC000189536371 432798418 /nfs/dbraw/zinc/79/84/18/432798418.db2.gz KVQALOLDTNLFPF-CYBMUJFWSA-N 0 0 312.369 3.146 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000189579738 432800595 /nfs/dbraw/zinc/80/05/95/432800595.db2.gz ZGASPMQEBQYGAX-OAHLLOKOSA-N 0 0 318.417 3.133 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)C1CC1 ZINC000276360997 432801276 /nfs/dbraw/zinc/80/12/76/432801276.db2.gz AKARDTOYPQELCH-MRXNPFEDSA-N 0 0 302.418 3.431 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000189589860 432802259 /nfs/dbraw/zinc/80/22/59/432802259.db2.gz ZTLQTLGLKMVJBM-LBPRGKRZSA-N 0 0 322.371 3.199 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C(=O)NCC ZINC000276423133 432807110 /nfs/dbraw/zinc/80/71/10/432807110.db2.gz OHALRPGGKIDTPM-CYBMUJFWSA-N 0 0 317.433 3.185 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000276423616 432807131 /nfs/dbraw/zinc/80/71/31/432807131.db2.gz HPBAMYUDBPWSSA-ZDUSSCGKSA-N 0 0 313.319 3.389 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000189734321 432814864 /nfs/dbraw/zinc/81/48/64/432814864.db2.gz NOCLCVPLABMOBV-OAHLLOKOSA-N 0 0 321.442 3.319 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000288024425 432883238 /nfs/dbraw/zinc/88/32/38/432883238.db2.gz SBZOIAMXMLXXJV-UHFFFAOYSA-N 0 0 309.384 3.494 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329982584 432886644 /nfs/dbraw/zinc/88/66/44/432886644.db2.gz OYHOSAHEZPNIKG-QPSCCSFWSA-N 0 0 320.412 3.176 10 30 DGEERN Cc1nc(CC2CC2)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000330017091 432888482 /nfs/dbraw/zinc/88/84/82/432888482.db2.gz QODBZXVTXRWAGE-GOOCMWNKSA-N 0 0 317.433 3.255 10 30 DGEERN CC(C)n1cc2cc(NC(=O)N[C@H]3CCCNC3=O)ccc2n1 ZINC000330033950 432889648 /nfs/dbraw/zinc/88/96/48/432889648.db2.gz VZMPLIQANIKGQY-AWEZNQCLSA-N 0 0 315.377 3.062 10 30 DGEERN Cc1nc([C@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)cs1 ZINC000330074084 432891638 /nfs/dbraw/zinc/89/16/38/432891638.db2.gz FJILFEZJWIXATE-LERXQTSPSA-N 0 0 309.435 3.070 10 30 DGEERN COc1ccc(CSc2nncn2C(C)(C)C)cc1C#N ZINC000162992830 432840173 /nfs/dbraw/zinc/84/01/73/432840173.db2.gz VDIXFQLJRJCXKZ-UHFFFAOYSA-N 0 0 302.403 3.206 10 30 DGEERN Clc1cccc(C#CCN2CCO[C@@H](c3nccs3)C2)c1 ZINC000163025443 432841068 /nfs/dbraw/zinc/84/10/68/432841068.db2.gz HMLKPWCKCDEEHE-OAHLLOKOSA-N 0 0 318.829 3.222 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000277363506 432842448 /nfs/dbraw/zinc/84/24/48/432842448.db2.gz IOOACPGLGAEARO-UHFFFAOYSA-N 0 0 305.381 3.090 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000296872209 432933811 /nfs/dbraw/zinc/93/38/11/432933811.db2.gz MRMZOSXVSYKADP-GOSISDBHSA-N 0 0 305.381 3.110 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 ZINC000279137255 432938953 /nfs/dbraw/zinc/93/89/53/432938953.db2.gz YVEUZYFKXIHNEI-UHFFFAOYSA-N 0 0 315.417 3.071 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000296961573 432943849 /nfs/dbraw/zinc/94/38/49/432943849.db2.gz QGXPMLIDAYXIBN-XLAORIBOSA-N 0 0 314.429 3.071 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)[C@H](CC)c2ccncc2)cc1 ZINC000297000421 432947889 /nfs/dbraw/zinc/94/78/89/432947889.db2.gz UWRUDDALABXUHK-GOSISDBHSA-N 0 0 307.397 3.356 10 30 DGEERN CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000330261223 432900814 /nfs/dbraw/zinc/90/08/14/432900814.db2.gz OYMCSMQOMTWYFS-CABCVRRESA-N 0 0 317.433 3.274 10 30 DGEERN CC[C@H]1OCCC[C@@H]1C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000330281006 432902426 /nfs/dbraw/zinc/90/24/26/432902426.db2.gz TZUCNPYZYVWTGX-DZGCQCFKSA-N 0 0 314.389 3.275 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC2(C(C)C)CC2)cn1 ZINC000330319476 432903067 /nfs/dbraw/zinc/90/30/67/432903067.db2.gz DFZUYCYJGIRDRS-LSDHHAIUSA-N 0 0 305.422 3.373 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC[C@H]1CCS(=O)(=O)C1 ZINC000278812389 432903926 /nfs/dbraw/zinc/90/39/26/432903926.db2.gz QNBLFPFONJICEW-CQSZACIVSA-N 0 0 307.459 3.385 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000278825617 432905693 /nfs/dbraw/zinc/90/56/93/432905693.db2.gz UKRBPWDBORENAH-ZYHUDNBSSA-N 0 0 300.280 3.020 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000297649618 433001690 /nfs/dbraw/zinc/00/16/90/433001690.db2.gz DYPJZAAWZXIPBD-LSDHHAIUSA-N 0 0 318.417 3.004 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CCC=C)c1ccccc1 ZINC000289391069 432954295 /nfs/dbraw/zinc/95/42/95/432954295.db2.gz PGXJBAYHZVFXTD-QGZVFWFLSA-N 0 0 314.429 3.235 10 30 DGEERN C=CCCCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000279314529 432955037 /nfs/dbraw/zinc/95/50/37/432955037.db2.gz OTLFWOVKAKLLBT-UHFFFAOYSA-N 0 0 317.364 3.289 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)nnn1CC ZINC000297826704 433021138 /nfs/dbraw/zinc/02/11/38/433021138.db2.gz MQKSFTVKXWVYTH-UHFFFAOYSA-N 0 0 324.837 3.150 10 30 DGEERN C#CCO[C@@H](C)c1nc([C@@H](OC)c2cccc(Cl)c2)no1 ZINC000297883210 433026861 /nfs/dbraw/zinc/02/68/61/433026861.db2.gz VCFQRGXCVJWTKY-GWCFXTLKSA-N 0 0 306.749 3.170 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000290382449 433041764 /nfs/dbraw/zinc/04/17/64/433041764.db2.gz MWHBVMNKNMCGEM-ZFWWWQNUSA-N 0 0 314.437 3.053 10 30 DGEERN C=C(C)CN(CC)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000298422206 433133325 /nfs/dbraw/zinc/13/33/25/433133325.db2.gz LTQPGTUMOKCLDZ-CZUORRHYSA-N 0 0 300.402 3.319 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000412296868 433141278 /nfs/dbraw/zinc/14/12/78/433141278.db2.gz GSJICUBRGGIUAD-DLBZAZTESA-N 0 0 315.413 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(C#N)cc1Br ZINC000425287240 433145445 /nfs/dbraw/zinc/14/54/45/433145445.db2.gz VQIFUUOGNUTHOW-FZMZJTMJSA-N 0 0 307.191 3.324 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H]2CCCC[C@H]2CC(F)(F)F)C1=O ZINC000420047711 433100736 /nfs/dbraw/zinc/10/07/36/433100736.db2.gz SAXRTPOEHVIMIW-SRVKXCTJSA-N 0 0 318.339 3.384 10 30 DGEERN C=CC[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC000280632287 433116168 /nfs/dbraw/zinc/11/61/68/433116168.db2.gz HEELOPKEEUYPLQ-IKGGRYGDSA-N 0 0 315.413 3.194 10 30 DGEERN C=CCC1(C(=O)Nc2cc([C@@H](C)CCC)[nH]n2)CCOCC1 ZINC000425175909 433116950 /nfs/dbraw/zinc/11/69/50/433116950.db2.gz BSEHEFPQORTWNW-ZDUSSCGKSA-N 0 0 305.422 3.625 10 30 DGEERN C[C@H]1OCC[C@@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280729181 433154051 /nfs/dbraw/zinc/15/40/51/433154051.db2.gz NBDJAXQNACPOLT-WBMJQRKESA-N 0 0 310.401 3.073 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000373593582 433156991 /nfs/dbraw/zinc/15/69/91/433156991.db2.gz MMSPXQDHHQFCQT-NSHDSACASA-N 0 0 303.337 3.094 10 30 DGEERN N#CC1(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000373892848 433166325 /nfs/dbraw/zinc/16/63/25/433166325.db2.gz VHDGUCBRSOVDCY-CTYIDZIISA-N 0 0 318.804 3.023 10 30 DGEERN CN(Cc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656351 433171738 /nfs/dbraw/zinc/17/17/38/433171738.db2.gz MKEWBKANAXLAKX-FQEVSTJZSA-N 0 0 305.425 3.265 10 30 DGEERN C=CCn1c(N2CCCC[C@@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453432515 433180197 /nfs/dbraw/zinc/18/01/97/433180197.db2.gz BWBMWKAMANDTDU-YOEHRIQHSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@@]1(C)CCCO1 ZINC000453436142 433184424 /nfs/dbraw/zinc/18/44/24/433184424.db2.gz HMLIYERGYVRWIA-CRAIPNDOSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H](COC)CC1 ZINC000453440402 433186960 /nfs/dbraw/zinc/18/69/60/433186960.db2.gz KZGPRLWJFAHWBO-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(N2CCC(C)=C(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453441283 433187505 /nfs/dbraw/zinc/18/75/05/433187505.db2.gz NYASAWAJSMRZOF-QGZVFWFLSA-N 0 0 302.422 3.036 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@H](COC)CC2)nnc1C(C)(C)C ZINC000453448541 433189198 /nfs/dbraw/zinc/18/91/98/433189198.db2.gz CSZOGDOVHDHAPB-HNNXBMFYSA-N 0 0 320.481 3.405 10 30 DGEERN C=CCn1c(N2CCC(CC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453444036 433189334 /nfs/dbraw/zinc/18/93/34/433189334.db2.gz RVRMZCUYLDMTAN-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@]3(CCOC3)C2)nnc1C(C)(C)C ZINC000453454563 433194796 /nfs/dbraw/zinc/19/47/96/433194796.db2.gz QJCNUDSCFSSHRX-SFHVURJKSA-N 0 0 318.465 3.159 10 30 DGEERN C=C(C)Cn1c(N2CCC(C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453459474 433198665 /nfs/dbraw/zinc/19/86/65/433198665.db2.gz CFYCGKNICCVFCL-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCS[C@@H](C)C1 ZINC000453465693 433200262 /nfs/dbraw/zinc/20/02/62/433200262.db2.gz NMYRFTPCPQSNEQ-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453471781 433200433 /nfs/dbraw/zinc/20/04/33/433200433.db2.gz UWQODIWVOIVNMB-MAUKXSAKSA-N 0 0 318.465 3.362 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453470909 433200675 /nfs/dbraw/zinc/20/06/75/433200675.db2.gz RSLXQIOHJKRXCL-JJRVBVJISA-N 0 0 304.438 3.115 10 30 DGEERN C=CCNC(=O)[C@H](C)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000337254861 433217926 /nfs/dbraw/zinc/21/79/26/433217926.db2.gz RBAHWDYRRGZEEQ-ZDUSSCGKSA-N 0 0 324.827 3.291 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H](C)CC#N ZINC000350594618 433220216 /nfs/dbraw/zinc/22/02/16/433220216.db2.gz BEKWYIWYSWRDBH-ZDUSSCGKSA-N 0 0 313.380 3.317 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291110770 433223356 /nfs/dbraw/zinc/22/33/56/433223356.db2.gz FJYHSEOGLFVVHQ-YLJYHZDGSA-N 0 0 315.457 3.433 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000291257440 433229666 /nfs/dbraw/zinc/22/96/66/433229666.db2.gz KOASYZOCOJOUBW-AWEZNQCLSA-N 0 0 323.440 3.348 10 30 DGEERN C=CCC1(C(=O)N2CCCc3ccc(F)cc32)CCOCC1 ZINC000425473508 433258942 /nfs/dbraw/zinc/25/89/42/433258942.db2.gz JCTRMUAWAASVQM-UHFFFAOYSA-N 0 0 303.377 3.478 10 30 DGEERN C[C@H]1CC(CNC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000281047642 433260287 /nfs/dbraw/zinc/26/02/87/433260287.db2.gz GARFMXJHWRWRJR-KBPBESRZSA-N 0 0 312.413 3.175 10 30 DGEERN C=CCN(Cc1nn(C)cc1Cl)Cc1cccc(C#N)c1 ZINC000420901651 433301199 /nfs/dbraw/zinc/30/11/99/433301199.db2.gz KQHGGFBEDBJHAW-UHFFFAOYSA-N 0 0 300.793 3.133 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000425561852 433302803 /nfs/dbraw/zinc/30/28/03/433302803.db2.gz DBQWOVYKQFINRA-SPUZQDLCSA-N 0 0 314.429 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC2(CCCCC2)CC1 ZINC000425581762 433307095 /nfs/dbraw/zinc/30/70/95/433307095.db2.gz MWSMQQQQUAAARI-HOTGVXAUSA-N 0 0 306.450 3.333 10 30 DGEERN C=CCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000448017638 433346580 /nfs/dbraw/zinc/34/65/80/433346580.db2.gz XIIJKPUYWMYBTO-UHFFFAOYSA-N 0 0 315.276 3.284 10 30 DGEERN CC#CCN(C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000454258069 433346759 /nfs/dbraw/zinc/34/67/59/433346759.db2.gz IONHDWHANURLHT-UHFFFAOYSA-N 0 0 317.389 3.360 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000448017954 433347021 /nfs/dbraw/zinc/34/70/21/433347021.db2.gz XTRCRINXGOJMCB-UHFFFAOYSA-N 0 0 303.284 3.110 10 30 DGEERN C=CCCCNC(=O)N[C@H](CC(=O)OCC)c1ccc(F)cc1 ZINC000448036609 433355601 /nfs/dbraw/zinc/35/56/01/433355601.db2.gz ZJXUPQHXQFAZTJ-OAHLLOKOSA-N 0 0 322.380 3.085 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC12CC2 ZINC000425802636 433359443 /nfs/dbraw/zinc/35/94/43/433359443.db2.gz PRNWPAHXGOTAFG-OAHLLOKOSA-N 0 0 312.413 3.146 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000425874714 433366606 /nfs/dbraw/zinc/36/66/06/433366606.db2.gz LOUNFVSJYALEBG-JJXSEGSLSA-N 0 0 308.466 3.434 10 30 DGEERN C=CCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000447940046 433328992 /nfs/dbraw/zinc/32/89/92/433328992.db2.gz HIIMXCOYPAFIII-UHFFFAOYSA-N 0 0 307.337 3.258 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000447938804 433329788 /nfs/dbraw/zinc/32/97/88/433329788.db2.gz CJCPZVAYIZKMJC-UHFFFAOYSA-N 0 0 307.337 3.036 10 30 DGEERN C=CCCCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000447948865 433330058 /nfs/dbraw/zinc/33/00/58/433330058.db2.gz RYXOCLAWIISWKA-UHFFFAOYSA-N 0 0 310.319 3.322 10 30 DGEERN C=CCCCNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000447959217 433332131 /nfs/dbraw/zinc/33/21/31/433332131.db2.gz NKLKQELGLBPNNW-AWEZNQCLSA-N 0 0 307.825 3.184 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000299159577 433333375 /nfs/dbraw/zinc/33/33/75/433333375.db2.gz ZGMXQYMTHOHRKM-QGZVFWFLSA-N 0 0 311.429 3.133 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(Br)s1 ZINC000447983706 433336431 /nfs/dbraw/zinc/33/64/31/433336431.db2.gz SVZHMFFEVVOAAT-UHFFFAOYSA-N 0 0 303.225 3.276 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC000413985448 433337025 /nfs/dbraw/zinc/33/70/25/433337025.db2.gz KDECNLUDSSJDGJ-QGZVFWFLSA-N 0 0 311.429 3.001 10 30 DGEERN CC(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000425658655 433337544 /nfs/dbraw/zinc/33/75/44/433337544.db2.gz HCPZGEZHEQFSOI-WDEREUQCSA-N 0 0 305.765 3.356 10 30 DGEERN C=CCSc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361767209 433382559 /nfs/dbraw/zinc/38/25/59/433382559.db2.gz CDUSGZBOCQAFNB-HNNXBMFYSA-N 0 0 316.470 3.273 10 30 DGEERN C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361767213 433382878 /nfs/dbraw/zinc/38/28/78/433382878.db2.gz CDUSGZBOCQAFNB-OAHLLOKOSA-N 0 0 316.470 3.273 10 30 DGEERN CC(C)[C@H](C)NC(=O)C1CCN(c2cccc(F)c2C#N)CC1 ZINC000301125939 433424456 /nfs/dbraw/zinc/42/44/56/433424456.db2.gz OEDAZXMQMBYLJU-ZDUSSCGKSA-N 0 0 317.408 3.074 10 30 DGEERN N#CCCCCNC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000454468754 433438570 /nfs/dbraw/zinc/43/85/70/433438570.db2.gz ZWKWXNUUNJTWMO-UHFFFAOYSA-N 0 0 309.772 3.241 10 30 DGEERN Cc1nnc(N(C)Cc2ccc(F)cc2Cl)c(C#N)c1C ZINC000301182055 433446033 /nfs/dbraw/zinc/44/60/33/433446033.db2.gz IHTCDLZMOOBIQO-UHFFFAOYSA-N 0 0 304.756 3.394 10 30 DGEERN N#Cc1ccc(N2CCC(Nc3ccnc(C4CC4)n3)CC2)cc1 ZINC000301234370 433464222 /nfs/dbraw/zinc/46/42/22/433464222.db2.gz JMKYRLKWVRQMTK-UHFFFAOYSA-N 0 0 319.412 3.307 10 30 DGEERN CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C#N)n1C ZINC000448669788 433485379 /nfs/dbraw/zinc/48/53/79/433485379.db2.gz YKUBVAHVUYRQDA-UHFFFAOYSA-N 0 0 301.777 3.212 10 30 DGEERN C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C#N)n1C ZINC000448665988 433480113 /nfs/dbraw/zinc/48/01/13/433480113.db2.gz NQBHYZPARUZJTD-LLVKDONJSA-N 0 0 301.777 3.383 10 30 DGEERN C=CCC(C)(C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000292151575 433484285 /nfs/dbraw/zinc/48/42/85/433484285.db2.gz DTZYHMHBVCFUOC-OAHLLOKOSA-N 0 0 316.445 3.240 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1nnn(C(C)C)c1C ZINC000292256390 433528255 /nfs/dbraw/zinc/52/82/55/433528255.db2.gz PTMYOTKMXVPQJZ-UHFFFAOYSA-N 0 0 315.373 3.124 10 30 DGEERN Cn1cc(N2CCC[C@H](Nc3cc(Cl)ccc3C#N)C2)cn1 ZINC000301403675 433537975 /nfs/dbraw/zinc/53/79/75/433537975.db2.gz DWKSQRVVDLGFKU-AWEZNQCLSA-N 0 0 315.808 3.026 10 30 DGEERN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(C#N)n2C)c1 ZINC000448710695 433509120 /nfs/dbraw/zinc/50/91/20/433509120.db2.gz DZCLPZXFPCAUEG-ZDUSSCGKSA-N 0 0 311.385 3.175 10 30 DGEERN C=CCOc1ccccc1C[NH2+]CCc1ccccc1C(=O)[O-] ZINC000426668066 433557549 /nfs/dbraw/zinc/55/75/49/433557549.db2.gz CJBFQNGOIYULGM-UHFFFAOYSA-N 0 0 311.381 3.282 10 30 DGEERN CCS[C@H]1CC[C@@]1(O)CNc1cc(C#N)nc2ccccc21 ZINC000301478566 433571613 /nfs/dbraw/zinc/57/16/13/433571613.db2.gz CJZFVZLEVHFYQT-DLBZAZTESA-N 0 0 313.426 3.165 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCCC1 ZINC000282369021 433578983 /nfs/dbraw/zinc/57/89/83/433578983.db2.gz UILUFLSEKPJABP-UHFFFAOYSA-N 0 0 313.361 3.030 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@H]2OC)nnc1-c1ccccn1 ZINC000292590788 433579253 /nfs/dbraw/zinc/57/92/53/433579253.db2.gz GSEUESKHYVBLSP-ZIAGYGMSSA-N 0 0 316.430 3.186 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)OCCc1ccccc1 ZINC000448844880 433579969 /nfs/dbraw/zinc/57/99/69/433579969.db2.gz BZZVYWJZYRPHAG-QAPCUYQASA-N 0 0 302.418 3.079 10 30 DGEERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301422677 433544593 /nfs/dbraw/zinc/54/45/93/433544593.db2.gz SPSRLQPVTMRLGM-ZDUSSCGKSA-N 0 0 317.408 3.074 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000362301737 433630872 /nfs/dbraw/zinc/63/08/72/433630872.db2.gz UEMWFBQQAKORJX-WBVHZDCISA-N 0 0 302.418 3.192 10 30 DGEERN C#CCOc1cccc(-c2noc([C@@H]3CCCC[C@@H]3OC)n2)c1 ZINC000293145549 433634781 /nfs/dbraw/zinc/63/47/81/433634781.db2.gz LMRPQJQGHWXKDG-CVEARBPZSA-N 0 0 312.369 3.421 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[C@H]1OC ZINC000293176257 433640621 /nfs/dbraw/zinc/64/06/21/433640621.db2.gz GWPHFACQBJRMGW-ZWKOTPCHSA-N 0 0 312.413 3.278 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1cncc(C)c1 ZINC000293167180 433642219 /nfs/dbraw/zinc/64/22/19/433642219.db2.gz NDRFUMWXRQQIOI-IBGZPJMESA-N 0 0 306.409 3.073 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C#N)s1)CC2 ZINC000339464921 433600644 /nfs/dbraw/zinc/60/06/44/433600644.db2.gz FJFIQHWOFJEQHU-UHFFFAOYSA-N 0 0 324.405 3.063 10 30 DGEERN C=C1CCN(C(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448910156 433607998 /nfs/dbraw/zinc/60/79/98/433607998.db2.gz KQYYBGWKYMJJKR-UHFFFAOYSA-N 0 0 308.219 3.479 10 30 DGEERN C=C(C)[C@@H](NC(=O)[C@@H](C)c1ccnn1C)c1ccc(F)c(F)c1 ZINC000421527084 433609580 /nfs/dbraw/zinc/60/95/80/433609580.db2.gz IJKFJCXVHKEFEH-MEDUHNTESA-N 0 0 319.355 3.235 10 30 DGEERN C=CCCCN(C)C(=O)Nc1nc(SCCC)ns1 ZINC000356552692 433612529 /nfs/dbraw/zinc/61/25/29/433612529.db2.gz FQCASGNSXDFCGA-UHFFFAOYSA-N 0 0 300.453 3.470 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC000421536274 433616354 /nfs/dbraw/zinc/61/63/54/433616354.db2.gz NQNNJHCNHSRVNR-XJKSGUPXSA-N 0 0 302.418 3.090 10 30 DGEERN COCCCCc1cccnc1NC(=O)c1sccc1C#N ZINC000362286074 433624982 /nfs/dbraw/zinc/62/49/82/433624982.db2.gz MDGRLJSXXJSFGO-UHFFFAOYSA-N 0 0 315.398 3.236 10 30 DGEERN N#Cc1cc(F)ccc1N1CCC(COc2ccccn2)CC1 ZINC000301587669 433625119 /nfs/dbraw/zinc/62/51/19/433625119.db2.gz WGKYHOSVLFKXRP-UHFFFAOYSA-N 0 0 311.360 3.388 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000293238889 433667512 /nfs/dbraw/zinc/66/75/12/433667512.db2.gz FFAPUDHWYJCIIS-ONGXEEELSA-N 0 0 314.838 3.015 10 30 DGEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414544368 433705937 /nfs/dbraw/zinc/70/59/37/433705937.db2.gz UPLWHUBDEPAWEX-STQMWFEESA-N 0 0 306.479 3.137 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000376369138 433721248 /nfs/dbraw/zinc/72/12/48/433721248.db2.gz VLZIYIZRONQOSU-AWEZNQCLSA-N 0 0 305.397 3.012 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)Cc1c[nH]c2ccccc12 ZINC000362507346 433730911 /nfs/dbraw/zinc/73/09/11/433730911.db2.gz VTGFINSXEZNTIZ-WMZOPIPTSA-N 0 0 312.413 3.498 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1COCCC ZINC000362537886 433744246 /nfs/dbraw/zinc/74/42/46/433744246.db2.gz OLIMDTPHRBBLJE-ROUUACIJSA-N 0 0 317.429 3.211 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(F)c(C(=O)OC)c(F)c1 ZINC000283560019 433744411 /nfs/dbraw/zinc/74/44/11/433744411.db2.gz UTXKKEVINRKZSG-UHFFFAOYSA-N 0 0 312.316 3.181 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000362541123 433746759 /nfs/dbraw/zinc/74/67/59/433746759.db2.gz NHMVDCUISAXGMY-ZDUSSCGKSA-N 0 0 321.380 3.032 10 30 DGEERN C=CCC[C@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)OCC ZINC000456631526 433757084 /nfs/dbraw/zinc/75/70/84/433757084.db2.gz SJJWVIIOSMMUQY-GQSKFBFOSA-N 0 0 319.376 3.243 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](c2ccco2)C1 ZINC000376539187 433768392 /nfs/dbraw/zinc/76/83/92/433768392.db2.gz HJTVIVGNVQMSBU-ROUUACIJSA-N 0 0 322.408 3.413 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362451421 433722878 /nfs/dbraw/zinc/72/28/78/433722878.db2.gz LQXBKQCFNBYGOI-HOTGVXAUSA-N 0 0 304.434 3.477 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)C[C@H]1CSc2ccccc2O1 ZINC000449828462 433823882 /nfs/dbraw/zinc/82/38/82/433823882.db2.gz XEDPQCBLZKWRMD-GUYCJALGSA-N 0 0 318.442 3.374 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1sc(C2CCCC2)nc1C ZINC000456784015 433823992 /nfs/dbraw/zinc/82/39/92/433823992.db2.gz WNHNWNXFDLDUFC-ZDUSSCGKSA-N 0 0 308.447 3.166 10 30 DGEERN Cc1cccc2[nH]c(CNc3snc(Cl)c3C#N)nc21 ZINC000301897081 433784977 /nfs/dbraw/zinc/78/49/77/433784977.db2.gz QWXUNZWOCBCATI-UHFFFAOYSA-N 0 0 303.778 3.465 10 30 DGEERN C=CCOc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000414684714 433785930 /nfs/dbraw/zinc/78/59/30/433785930.db2.gz RMWQJODRZSIWPO-SZMVWBNQSA-N 0 0 315.413 3.469 10 30 DGEERN C=CCOc1cccc(NC(=O)C[C@H](O)Cc2ccccc2)c1 ZINC000362609447 433789109 /nfs/dbraw/zinc/78/91/09/433789109.db2.gz RTRYVMSPFSXQFA-QGZVFWFLSA-N 0 0 311.381 3.184 10 30 DGEERN CC1(C#N)CCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1 ZINC000356965139 433789713 /nfs/dbraw/zinc/78/97/13/433789713.db2.gz AVIFIMJFNKJZRY-UHFFFAOYSA-N 0 0 309.369 3.036 10 30 DGEERN CN(C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000356979414 433797898 /nfs/dbraw/zinc/79/78/98/433797898.db2.gz RXRALGOIFDRBSD-OAHLLOKOSA-N 0 0 319.836 3.095 10 30 DGEERN C=CCC[C@H](CO)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000456759284 433810365 /nfs/dbraw/zinc/81/03/65/433810365.db2.gz FEQJLHHBNFJPPN-WXRRBKDZSA-N 0 0 307.356 3.189 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000456766954 433814976 /nfs/dbraw/zinc/81/49/76/433814976.db2.gz JAUZSEQJNLACDR-HOCLYGCPSA-N 0 0 307.459 3.247 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000456764065 433815043 /nfs/dbraw/zinc/81/50/43/433815043.db2.gz HYCRREZGJRBWPD-RHSMWYFYSA-N 0 0 317.429 3.072 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000456766951 433815188 /nfs/dbraw/zinc/81/51/88/433815188.db2.gz JAUZSEQJNLACDR-GDBMZVCRSA-N 0 0 307.459 3.247 10 30 DGEERN C=CCO[C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000302182716 433815557 /nfs/dbraw/zinc/81/55/57/433815557.db2.gz SFUMASIPIDMMGD-ZDUSSCGKSA-N 0 0 307.191 3.102 10 30 DGEERN C=CC[C@H](CO)Nc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000302157740 433816976 /nfs/dbraw/zinc/81/69/76/433816976.db2.gz WXZZJWKBWOQKFB-LLVKDONJSA-N 0 0 314.172 3.392 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1ncnc2cc(Cl)ccc21 ZINC000435588808 433875620 /nfs/dbraw/zinc/87/56/20/433875620.db2.gz MVUFFUUMRCLVFJ-XHDPSFHLSA-N 0 0 303.793 3.676 10 30 DGEERN C=CCC1(C(=O)NCc2nccn2CC(F)(F)F)CCCC1 ZINC000449834598 433827312 /nfs/dbraw/zinc/82/73/12/433827312.db2.gz LESWRDIVORFUHC-UHFFFAOYSA-N 0 0 315.339 3.198 10 30 DGEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)c(Br)c1 ZINC000302618500 433828403 /nfs/dbraw/zinc/82/84/03/433828403.db2.gz PHJIQJDWEQUSBZ-QMTHXVAHSA-N 0 0 309.207 3.240 10 30 DGEERN COc1ccc(C(=O)C2CCN(c3ccncc3C#N)CC2)cc1 ZINC000376882266 433833947 /nfs/dbraw/zinc/83/39/47/433833947.db2.gz QACAGNSVOUDJFO-UHFFFAOYSA-N 0 0 321.380 3.061 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 ZINC000362732913 433841162 /nfs/dbraw/zinc/84/11/62/433841162.db2.gz IKDTVBNONYAZOW-FJIDUMEYSA-N 0 0 315.413 3.039 10 30 DGEERN CC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccc(Cl)s1 ZINC000449863201 433842367 /nfs/dbraw/zinc/84/23/67/433842367.db2.gz DLDMDPRKZKZSAK-JTQLQIEISA-N 0 0 307.806 3.493 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000377203348 433850952 /nfs/dbraw/zinc/85/09/52/433850952.db2.gz HXRSEFXQJAMKJZ-HXUWFJFHSA-N 0 0 316.404 3.258 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434082457 433856191 /nfs/dbraw/zinc/85/61/91/433856191.db2.gz JXYMMAHUJMTLLL-UHFFFAOYSA-N 0 0 303.337 3.911 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434083354 433856382 /nfs/dbraw/zinc/85/63/82/433856382.db2.gz PINQLBYSURQOQM-LBPRGKRZSA-N 0 0 315.348 4.053 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000449906707 433866706 /nfs/dbraw/zinc/86/67/06/433866706.db2.gz ZWFFIICRODUVPT-WBVHZDCISA-N 0 0 307.397 3.038 10 30 DGEERN C=C[C@](C)(CC)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456943919 433899734 /nfs/dbraw/zinc/89/97/34/433899734.db2.gz WMGHWDAKQNMXMF-CQSZACIVSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000457000512 433923236 /nfs/dbraw/zinc/92/32/36/433923236.db2.gz UUPZPBNYMNGIRI-LJQANCHMSA-N 0 0 322.408 3.038 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CCCC1 ZINC000449961820 433891675 /nfs/dbraw/zinc/89/16/75/433891675.db2.gz RICGSPWVHUXMGW-CYBMUJFWSA-N 0 0 303.450 3.221 10 30 DGEERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449957774 433894063 /nfs/dbraw/zinc/89/40/63/433894063.db2.gz DTHUUFLWVCJKNX-PXAZEXFGSA-N 0 0 311.360 3.259 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000450051376 433943561 /nfs/dbraw/zinc/94/35/61/433943561.db2.gz WGAKXMCTTQNNKS-IKGGRYGDSA-N 0 0 303.377 3.470 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC)c(F)c1 ZINC000436377420 433949493 /nfs/dbraw/zinc/94/94/93/433949493.db2.gz HKUZKEIBHCERPV-XJKSGUPXSA-N 0 0 306.381 3.491 10 30 DGEERN COc1cccc(C2=CCN(C(=O)NCCCCC#N)CC2)c1 ZINC000363015244 433950208 /nfs/dbraw/zinc/95/02/08/433950208.db2.gz XERFXXHOCZGGSL-UHFFFAOYSA-N 0 0 313.401 3.188 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000450068667 433954668 /nfs/dbraw/zinc/95/46/68/433954668.db2.gz QGZMDLTYXOBIMX-FQEVSTJZSA-N 0 0 321.424 3.382 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCC[C@H](COC)CC2)cc1 ZINC000457066799 433962321 /nfs/dbraw/zinc/96/23/21/433962321.db2.gz WAOZIELHMIIZQW-KRWDZBQOSA-N 0 0 317.429 3.069 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CCC[C@@H](COC)CC2)cc1 ZINC000457066800 433964419 /nfs/dbraw/zinc/96/44/19/433964419.db2.gz WAOZIELHMIIZQW-QGZVFWFLSA-N 0 0 317.429 3.069 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCSc1ccccn1 ZINC000285620016 434018395 /nfs/dbraw/zinc/01/83/95/434018395.db2.gz CLZGOMRNLMKWGE-QGZVFWFLSA-N 0 0 324.449 3.315 10 30 DGEERN CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(C#N)n1C ZINC000450209116 434025352 /nfs/dbraw/zinc/02/53/52/434025352.db2.gz SXLUCYWODOIPFP-ZDUSSCGKSA-N 0 0 313.426 3.197 10 30 DGEERN C=CCC[C@@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000378071175 434068989 /nfs/dbraw/zinc/06/89/89/434068989.db2.gz LPUVDXYJWNAYKU-HZPDHXFCSA-N 0 0 324.428 3.274 10 30 DGEERN Cc1nc(CCOS(=O)(=O)c2ccc(C)cc2)c(C)s1 ZINC000306469519 434086353 /nfs/dbraw/zinc/08/63/53/434086353.db2.gz OWLAMPMXOKBHRL-UHFFFAOYSA-N 0 0 311.428 3.016 10 30 DGEERN C#Cc1ccccc1CC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000377973959 434048101 /nfs/dbraw/zinc/04/81/01/434048101.db2.gz WNYRSRRPMZJNDR-UHFFFAOYSA-N 0 0 317.348 3.208 10 30 DGEERN COCCN(CC#N)C(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000457202266 434049774 /nfs/dbraw/zinc/04/97/74/434049774.db2.gz IJAABKKRKMRCQK-SNAWJCMRSA-N 0 0 300.402 3.212 10 30 DGEERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)C2)cn1 ZINC000329735368 294280052 /nfs/dbraw/zinc/28/00/52/294280052.db2.gz KXQKKVMDPLIBAN-KLZNWCGWSA-N 0 0 316.449 3.092 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000294768870 434141116 /nfs/dbraw/zinc/14/11/16/434141116.db2.gz QUSLWCWJTCXOBY-LLVKDONJSA-N 0 0 319.298 3.308 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cnc(C2CC2)nc1 ZINC000294792560 434146170 /nfs/dbraw/zinc/14/61/70/434146170.db2.gz SUVWJVVONJQMGQ-UHFFFAOYSA-N 0 0 307.397 3.225 10 30 DGEERN C#CCCCCNC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000363809605 434154559 /nfs/dbraw/zinc/15/45/59/434154559.db2.gz BNZYRYTYZGDCDV-UHFFFAOYSA-N 0 0 307.397 3.351 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(Br)cc1C#N ZINC000294954922 434155935 /nfs/dbraw/zinc/15/59/35/434155935.db2.gz MEVLLIIOOAWOPA-UHFFFAOYSA-N 0 0 307.191 3.359 10 30 DGEERN C=CCN(C(=O)N[C@H](C)c1ccccc1-n1cccn1)C1CC1 ZINC000378392480 434166113 /nfs/dbraw/zinc/16/61/13/434166113.db2.gz SQZIHEAXXIWXGP-CQSZACIVSA-N 0 0 310.401 3.293 10 30 DGEERN C#CCCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000364031611 434214087 /nfs/dbraw/zinc/21/40/87/434214087.db2.gz GWEHJDZHLJPRSI-INIZCTEOSA-N 0 0 313.445 3.023 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCc1cc(F)ccc1F ZINC000437492580 434272524 /nfs/dbraw/zinc/27/25/24/434272524.db2.gz JJNPDJVUBIFFTF-KSSFIOAISA-N 0 0 323.383 3.385 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC000437485934 434272579 /nfs/dbraw/zinc/27/25/79/434272579.db2.gz ZYVCIPPWYJIXBI-RDJZCZTQSA-N 0 0 303.402 3.105 10 30 DGEERN C=CCOc1ccccc1CNc1nnc(CCC(C)C)o1 ZINC000347874287 434274810 /nfs/dbraw/zinc/27/48/10/434274810.db2.gz DIKZIJHHXMGXKK-UHFFFAOYSA-N 0 0 301.390 3.835 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437536434 434282024 /nfs/dbraw/zinc/28/20/24/434282024.db2.gz KYKSPDJXOMIRTA-KOMQPUFPSA-N 0 0 322.836 3.478 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000286636879 434283549 /nfs/dbraw/zinc/28/35/49/434283549.db2.gz DCQSLPDBDRSFCC-UYAOXDASSA-N 0 0 319.404 3.051 10 30 DGEERN C#CCC(C)(C)C(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000364937400 434285632 /nfs/dbraw/zinc/28/56/32/434285632.db2.gz DYNNALKTYQFABV-UHFFFAOYSA-N 0 0 302.805 3.400 10 30 DGEERN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(C)C ZINC000328615612 434287608 /nfs/dbraw/zinc/28/76/08/434287608.db2.gz AYRMMADJHJAQCJ-BARDWOONSA-N 0 0 317.433 3.445 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2sccc2C)cn1 ZINC000328619091 434290959 /nfs/dbraw/zinc/29/09/59/434290959.db2.gz FJWCFJOMAHGFNL-UONOGXRCSA-N 0 0 319.430 3.498 10 30 DGEERN C=C(C)COCCNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457679465 434297912 /nfs/dbraw/zinc/29/79/12/434297912.db2.gz ZWHAFVKNKDYCLM-UHFFFAOYSA-N 0 0 311.809 3.450 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC000287225957 434308266 /nfs/dbraw/zinc/30/82/66/434308266.db2.gz JAOGSBRZLINSHS-KRWDZBQOSA-N 0 0 309.413 3.003 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295329907 434314758 /nfs/dbraw/zinc/31/47/58/434314758.db2.gz OZWRVWWVQDJYLX-ZDUSSCGKSA-N 0 0 315.385 3.444 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H](C)C1CCOCC1)CCC2 ZINC000328877287 434320810 /nfs/dbraw/zinc/32/08/10/434320810.db2.gz TYLMHDCFZAHGKC-HIFRSBDPSA-N 0 0 305.422 3.088 10 30 DGEERN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc2c(n1)CCCC2 ZINC000328860380 434321634 /nfs/dbraw/zinc/32/16/34/434321634.db2.gz YQTOUAOZBFSLJN-UHFFFAOYSA-N 0 0 321.380 3.333 10 30 DGEERN C[C@@H]1CCC[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000328896987 434325933 /nfs/dbraw/zinc/32/59/33/434325933.db2.gz VZBHMJDDTBIIJI-FAXLKDOZSA-N 0 0 307.438 3.308 10 30 DGEERN Cc1sccc1CC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328916616 434327442 /nfs/dbraw/zinc/32/74/42/434327442.db2.gz ANKWPSLULGOYJO-XJKSGUPXSA-N 0 0 319.430 3.067 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000450669701 434328744 /nfs/dbraw/zinc/32/87/44/434328744.db2.gz UKHWHWNYUJVRCP-LJQANCHMSA-N 0 0 307.397 3.134 10 30 DGEERN Cc1c(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)sc2nccn12 ZINC000328938889 434331592 /nfs/dbraw/zinc/33/15/92/434331592.db2.gz RUINUAQBFUABPL-UWVGGRQHSA-N 0 0 307.419 3.212 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC000437521647 434276857 /nfs/dbraw/zinc/27/68/57/434276857.db2.gz CKKAABXISFDOEN-SJKOYZFVSA-N 0 0 316.376 3.028 10 30 DGEERN C=CCN(C(=O)Nc1cccc(Cl)c1C(=O)OC)C1CC1 ZINC000417362278 434365620 /nfs/dbraw/zinc/36/56/20/434365620.db2.gz JOBIWOHDHKGQMN-UHFFFAOYSA-N 0 0 308.765 3.309 10 30 DGEERN C=CCc1cc(C(=O)N2CCC[C@@](C)(F)C2)cc(OC)c1OC ZINC000295444834 434368026 /nfs/dbraw/zinc/36/80/26/434368026.db2.gz FVKFDDTZJHFVQG-GOSISDBHSA-N 0 0 321.392 3.397 10 30 DGEERN CC#CCN(C)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000457843364 434371863 /nfs/dbraw/zinc/37/18/63/434371863.db2.gz KXDRMFRRAFQMHL-UHFFFAOYSA-N 0 0 322.408 3.430 10 30 DGEERN O=C(C[C@H]1CCCCNC1=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329209999 434374296 /nfs/dbraw/zinc/37/42/96/434374296.db2.gz YQZLUBSBTCDJPD-IVMMDQJWSA-N 0 0 317.389 3.015 10 30 DGEERN C[C@@H](CCC1CCCCC1)NC(=O)N1CCc2cncnc2C1 ZINC000329290882 434385475 /nfs/dbraw/zinc/38/54/75/434385475.db2.gz AQLHGYZLYASCAW-AWEZNQCLSA-N 0 0 316.449 3.498 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1oc(C2CC2)nc1C ZINC000287330456 434336213 /nfs/dbraw/zinc/33/62/13/434336213.db2.gz OHNVWMXLUCEYFP-MRXNPFEDSA-N 0 0 308.381 3.225 10 30 DGEERN C=CCCCN(C)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000287357834 434344704 /nfs/dbraw/zinc/34/47/04/434344704.db2.gz JSLGWWJTOSGADA-UHFFFAOYSA-N 0 0 309.435 3.467 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000287383891 434350292 /nfs/dbraw/zinc/35/02/92/434350292.db2.gz ISXUCJGVDLDLDF-CYBMUJFWSA-N 0 0 321.342 3.415 10 30 DGEERN Cn1cc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)c(C2CC2)n1 ZINC000329615487 434442429 /nfs/dbraw/zinc/44/24/29/434442429.db2.gz LABBSXCWZBUVLL-CYBMUJFWSA-N 0 0 318.421 3.115 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000287759934 434444235 /nfs/dbraw/zinc/44/42/35/434444235.db2.gz PTHNEXNYZVYMOD-UHFFFAOYSA-N 0 0 323.780 3.101 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCSC[C@H](C)C1 ZINC000287541227 434393227 /nfs/dbraw/zinc/39/32/27/434393227.db2.gz VYRVUGPPBGEQTN-WBVHZDCISA-N 0 0 316.470 3.016 10 30 DGEERN N#CC1(NC(=O)c2cccc(Br)c2F)CCCC1 ZINC000192089453 294796384 /nfs/dbraw/zinc/79/63/84/294796384.db2.gz FTIDOWNIFLAFGC-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN C=CC[C@@H](CC)N1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000359184784 434415654 /nfs/dbraw/zinc/41/56/54/434415654.db2.gz VRCJQFOTFNZMLO-KGLIPLIRSA-N 0 0 306.793 3.158 10 30 DGEERN Cc1ncsc1CNC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329584894 434438337 /nfs/dbraw/zinc/43/83/37/434438337.db2.gz MAYSEDFFKBVWCL-CQSZACIVSA-N 0 0 323.462 3.147 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000417608505 434460476 /nfs/dbraw/zinc/46/04/76/434460476.db2.gz IYCLOHUCGUPRLH-OAHLLOKOSA-N 0 0 319.401 3.151 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)s1 ZINC000417620610 434467854 /nfs/dbraw/zinc/46/78/54/434467854.db2.gz DGMMMAINFQGSOO-QMMMGPOBSA-N 0 0 304.209 3.020 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000417622178 434472986 /nfs/dbraw/zinc/47/29/86/434472986.db2.gz GTQRKHCLJZNYNH-LLVKDONJSA-N 0 0 305.271 3.354 10 30 DGEERN N#Cc1cc(C(=O)N2CCCc3c(Cl)ccc(F)c32)ccn1 ZINC000193557156 294873517 /nfs/dbraw/zinc/87/35/17/294873517.db2.gz ILONRNNLXCFTNS-UHFFFAOYSA-N 0 0 315.735 3.339 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000417634980 434479218 /nfs/dbraw/zinc/47/92/18/434479218.db2.gz ZRXHGNSQBPJTPV-SNVBAGLBSA-N 0 0 316.170 3.097 10 30 DGEERN CN(Cc1cc(Br)cs1)c1ccncc1C#N ZINC000399553201 434479537 /nfs/dbraw/zinc/47/95/37/434479537.db2.gz DFVZAMMYDIEMSD-UHFFFAOYSA-N 0 0 308.204 3.414 10 30 DGEERN Cc1cc(Cl)cnc1NC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329845535 434493423 /nfs/dbraw/zinc/49/34/23/434493423.db2.gz XZYKYQCGYXYUSP-CQSZACIVSA-N 0 0 323.824 3.480 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2cccc(Cl)c2)CC(C)C1 ZINC000296070038 434498278 /nfs/dbraw/zinc/49/82/78/434498278.db2.gz RVMMPVWWGBGHGW-VXKCQOAXSA-N 0 0 307.821 3.061 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000360069269 434501423 /nfs/dbraw/zinc/50/14/23/434501423.db2.gz DDDLQBKOSCMTEC-WFASDCNBSA-N 0 0 302.422 3.249 10 30 DGEERN N#Cc1ccc(N2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000268364786 294927971 /nfs/dbraw/zinc/92/79/71/294927971.db2.gz DLMYZFVJPSCMCE-AWEZNQCLSA-N 0 0 315.354 3.106 10 30 DGEERN Cc1nc(N2CCOc3cccc(F)c3C2)c(Cl)cc1C#N ZINC000360086698 434509838 /nfs/dbraw/zinc/50/98/38/434509838.db2.gz ZNOGFIPPRBOZIQ-UHFFFAOYSA-N 0 0 317.751 3.453 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCc2[nH]c3ccccc3c2C1)OCC ZINC000366833942 434518665 /nfs/dbraw/zinc/51/86/65/434518665.db2.gz ZTQLINMTBRJKPN-GOSISDBHSA-N 0 0 312.413 3.424 10 30 DGEERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000407960260 434532947 /nfs/dbraw/zinc/53/29/47/434532947.db2.gz ZFTIEWRUGWSCOU-RBSFLKMASA-N 0 0 322.412 3.251 10 30 DGEERN N#CC1CCC(CNC(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000366923258 434533577 /nfs/dbraw/zinc/53/35/77/434533577.db2.gz RUEWHQSNZJPSRU-GPANFISMSA-N 0 0 319.449 3.107 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](C)[C@H](O)C3)c2c1 ZINC000407983123 434536004 /nfs/dbraw/zinc/53/60/04/434536004.db2.gz BJSBKBJSUILTOH-IAQYHMDHSA-N 0 0 315.804 3.275 10 30 DGEERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(C#N)s1 ZINC000408057577 434537441 /nfs/dbraw/zinc/53/74/41/434537441.db2.gz WLLUPLZEJZJFBR-VBQJREDUSA-N 0 0 318.442 3.166 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)CCC1 ZINC000367312884 434545214 /nfs/dbraw/zinc/54/52/14/434545214.db2.gz RLJIBLZXTDVCDM-HXUWFJFHSA-N 0 0 313.441 3.286 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000459050327 434553520 /nfs/dbraw/zinc/55/35/20/434553520.db2.gz WYWSXZOYHIFJFJ-CABCVRRESA-N 0 0 306.793 3.099 10 30 DGEERN Cc1nc2ccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)cc2s1 ZINC000408233842 434555310 /nfs/dbraw/zinc/55/53/10/434555310.db2.gz BQXRPCUBICMMEG-CMPLNLGQSA-N 0 0 300.387 3.419 10 30 DGEERN C=CCCCCCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000367877521 434559367 /nfs/dbraw/zinc/55/93/67/434559367.db2.gz ZVRZURVXNCCMKR-GOSISDBHSA-N 0 0 324.465 3.102 10 30 DGEERN C=CC[C@@H]1N(C(=O)C[C@@H]2CCOC[C@@H]2OC)CCCC1(C)C ZINC000451218507 434559537 /nfs/dbraw/zinc/55/95/37/434559537.db2.gz RRUNZXMKKDJKJT-JYJNAYRXSA-N 0 0 309.450 3.021 10 30 DGEERN CCc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)s1 ZINC000408401900 434570772 /nfs/dbraw/zinc/57/07/72/434570772.db2.gz IRZODOLXFVEUNM-GFCCVEGCSA-N 0 0 312.460 3.013 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000368160672 434568788 /nfs/dbraw/zinc/56/87/88/434568788.db2.gz PVJTZNDEYVQNRO-INIZCTEOSA-N 0 0 310.422 3.169 10 30 DGEERN CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000408458603 434577939 /nfs/dbraw/zinc/57/79/39/434577939.db2.gz UOHSYKBVOQWYSC-INIZCTEOSA-N 0 0 310.463 3.078 10 30 DGEERN C=CCCCCCCCCNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000368618845 434579355 /nfs/dbraw/zinc/57/93/55/434579355.db2.gz MNHWDKVXVFYXMR-GOSISDBHSA-N 0 0 324.465 3.104 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451828719 434581041 /nfs/dbraw/zinc/58/10/41/434581041.db2.gz BLNFSKCDGHDTPZ-RDJZCZTQSA-N 0 0 314.429 3.396 10 30 DGEERN CCOC(=O)CN(Cc1ccc(Cl)cc1C#N)C1CCC1 ZINC000360335233 434582731 /nfs/dbraw/zinc/58/27/31/434582731.db2.gz GCGPYXBQNXVATQ-UHFFFAOYSA-N 0 0 306.793 3.129 10 30 DGEERN CC[C@@H]1CCc2nc(NC(=O)N[C@H]3CCC[C@@H]3C#N)sc2C1 ZINC000408424648 434574555 /nfs/dbraw/zinc/57/45/55/434574555.db2.gz FVWAYPOSGBHUEO-UTUOFQBUSA-N 0 0 318.446 3.472 10 30 DGEERN C#CCCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000369287089 434591576 /nfs/dbraw/zinc/59/15/76/434591576.db2.gz YYPGKGSJJNKBCF-AWEZNQCLSA-N 0 0 321.218 3.319 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1CCCSC1 ZINC000329554076 295386845 /nfs/dbraw/zinc/38/68/45/295386845.db2.gz GOLFAJNLEPPUNZ-SOUVJXGZSA-N 0 0 306.431 3.401 10 30 DGEERN C=CCn1c(SC[C@@H](OC)C2CC2)nnc1-c1cccnc1 ZINC000424095903 434620887 /nfs/dbraw/zinc/62/08/87/434620887.db2.gz XDLJKYWHOHMUSF-CQSZACIVSA-N 0 0 316.430 3.043 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)CCCSC ZINC000424118343 434627203 /nfs/dbraw/zinc/62/72/03/434627203.db2.gz CIQKGZUSLCEKEE-LBPRGKRZSA-N 0 0 312.508 3.222 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(CCCC)CCOC ZINC000424128721 434630276 /nfs/dbraw/zinc/63/02/76/434630276.db2.gz RXIAOOQTJJCHJN-AWEZNQCLSA-N 0 0 324.494 3.285 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(CC)C[C@@H]1CCCO1 ZINC000424123990 434631271 /nfs/dbraw/zinc/63/12/71/434631271.db2.gz LJUSQJGUDCGINL-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN CC(C)=CCC[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452538080 434638694 /nfs/dbraw/zinc/63/86/94/434638694.db2.gz BNOIDXLKVCGPDS-KBXCAEBGSA-N 0 0 322.449 3.499 10 30 DGEERN CC(C)=CCC[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452538082 434639769 /nfs/dbraw/zinc/63/97/69/434639769.db2.gz BNOIDXLKVCGPDS-KSSFIOAISA-N 0 0 322.449 3.499 10 30 DGEERN C=C(C)CCNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000452723122 434691816 /nfs/dbraw/zinc/69/18/16/434691816.db2.gz MOQMAUHQZMTSBP-UHFFFAOYSA-N 0 0 314.385 3.365 10 30 DGEERN C=CCCOCCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000452601278 434657116 /nfs/dbraw/zinc/65/71/16/434657116.db2.gz WDULGUGKZDEKFS-KSZLIROESA-N 0 0 323.477 3.292 10 30 DGEERN C=CCC1(c2nc(COc3ccccc3F)no2)CCOCC1 ZINC000424216077 434658542 /nfs/dbraw/zinc/65/85/42/434658542.db2.gz PAUXDVXWLIZAHT-UHFFFAOYSA-N 0 0 318.348 3.412 10 30 DGEERN C=CCOc1ccc(CC(=O)Nc2cc(C3CC3)nc(C)n2)cc1 ZINC000410590686 434660255 /nfs/dbraw/zinc/66/02/55/434660255.db2.gz OSVPZWJITMTUEP-UHFFFAOYSA-N 0 0 323.396 3.408 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCOC(C)(C)C1 ZINC000424243605 434664425 /nfs/dbraw/zinc/66/44/25/434664425.db2.gz KIRZLEPVDYEOBZ-CYBMUJFWSA-N 0 0 322.478 3.038 10 30 DGEERN Cc1cc(CN(C)c2cccc(Br)c2C#N)no1 ZINC000439972424 434668113 /nfs/dbraw/zinc/66/81/13/434668113.db2.gz ORDXOYOFTLLPNR-UHFFFAOYSA-N 0 0 306.163 3.254 10 30 DGEERN C=C(C)CCNC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000452721344 434690238 /nfs/dbraw/zinc/69/02/38/434690238.db2.gz ZTFHXSBNGKFMPP-QGZVFWFLSA-N 0 0 303.402 3.006 10 30 DGEERN C=CCC1(C(=O)Nc2nc3c(s2)CCCC3)CCOCC1 ZINC000424572779 434746148 /nfs/dbraw/zinc/74/61/48/434746148.db2.gz XOUOYNKDDCOHSM-UHFFFAOYSA-N 0 0 306.431 3.333 10 30 DGEERN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)CC1 ZINC000460215617 434748654 /nfs/dbraw/zinc/74/86/54/434748654.db2.gz QZNJNDOZSDWQFP-CQSZACIVSA-N 0 0 309.417 3.463 10 30 DGEERN C=CCC1(c2nc(Cc3ccccc3F)no2)CCOCC1 ZINC000424356360 434710843 /nfs/dbraw/zinc/71/08/43/434710843.db2.gz RWDVCBMSAPYUOY-UHFFFAOYSA-N 0 0 302.349 3.424 10 30 DGEERN C=CCC1(C(=O)NCCSc2ccccc2)CCOCC1 ZINC000424536508 434735763 /nfs/dbraw/zinc/73/57/63/434735763.db2.gz GHIIMTGLJXQRAC-UHFFFAOYSA-N 0 0 305.443 3.268 10 30 DGEERN C=CCC1(C(=O)NCCOc2ccc(Cl)cc2)CCOCC1 ZINC000424549313 434737672 /nfs/dbraw/zinc/73/76/72/434737672.db2.gz XQWCDZIDMAZDIC-UHFFFAOYSA-N 0 0 323.820 3.208 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCc3cc(F)ccc32)CCOCC1 ZINC000424600167 434755266 /nfs/dbraw/zinc/75/52/66/434755266.db2.gz NSCVTHJFFAQBEU-INIZCTEOSA-N 0 0 303.377 3.302 10 30 DGEERN Cc1ccnc(C2CCN(Cc3ccc(F)cc3C#N)CC2)n1 ZINC000371823629 434756305 /nfs/dbraw/zinc/75/63/05/434756305.db2.gz RMVNIHSNYHAXHQ-UHFFFAOYSA-N 0 0 310.376 3.175 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)Cc2ccccc2C)CCOCC1 ZINC000424607195 434756959 /nfs/dbraw/zinc/75/69/59/434756959.db2.gz UFROKVUUPQTMEU-MRXNPFEDSA-N 0 0 301.430 3.415 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000440995807 434759468 /nfs/dbraw/zinc/75/94/68/434759468.db2.gz ADDMQPLBLCZNRC-NVXWUHKLSA-N 0 0 316.445 3.326 10 30 DGEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@H]1C ZINC000460564819 434762480 /nfs/dbraw/zinc/76/24/80/434762480.db2.gz GJSCJJZBOZTQQT-HUUCEWRRSA-N 0 0 311.433 3.075 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CCOCC1 ZINC000424694047 434780358 /nfs/dbraw/zinc/78/03/58/434780358.db2.gz KBJLBSLGPNVNRO-HUUCEWRRSA-N 0 0 311.491 3.492 10 30 DGEERN C=CCN(CC=C)c1nnc(-c2ncccc2C)n1CC(=C)C ZINC000460778621 434772263 /nfs/dbraw/zinc/77/22/63/434772263.db2.gz NCIHNXFRVNTDMD-UHFFFAOYSA-N 0 0 309.417 3.403 10 30 DGEERN C[C@@H]1CSc2ccccc2N(C(=O)c2cc(C#N)cn2C)C1 ZINC000159569675 297192802 /nfs/dbraw/zinc/19/28/02/297192802.db2.gz PBEDYFMSEKHCHA-LBPRGKRZSA-N 0 0 311.410 3.285 10 30 DGEERN C=CCN(CCOC)C(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000361076988 434789580 /nfs/dbraw/zinc/78/95/80/434789580.db2.gz XQDHADDSRWVKMY-UHFFFAOYSA-N 0 0 319.298 3.428 10 30 DGEERN C=CCOc1ccccc1CN1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000361115002 434801345 /nfs/dbraw/zinc/80/13/45/434801345.db2.gz VRTUWEORXOEDKS-APWZRJJASA-N 0 0 317.429 3.021 10 30 DGEERN C=CCNC(=O)Cc1noc(-c2ccc(C(C)(C)CC)cc2)n1 ZINC000445332110 434796239 /nfs/dbraw/zinc/79/62/39/434796239.db2.gz HCHYTNSCFCYKDQ-UHFFFAOYSA-N 0 0 313.401 3.269 10 30 DGEERN C=C(C)C(C)(C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000424796149 434805639 /nfs/dbraw/zinc/80/56/39/434805639.db2.gz HABPRRQZIKKSTN-UHFFFAOYSA-N 0 0 320.864 3.417 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1ccc2c(ccnc2OC)c1 ZINC000453131614 434811778 /nfs/dbraw/zinc/81/17/78/434811778.db2.gz DAASUGSLRMTTBQ-UHFFFAOYSA-N 0 0 313.401 3.080 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000424851920 434816739 /nfs/dbraw/zinc/81/67/39/434816739.db2.gz NFMJYRSHFMFEED-ZDUSSCGKSA-N 0 0 318.373 3.145 10 30 DGEERN C=C(C)C(C)(C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000424857434 434818471 /nfs/dbraw/zinc/81/84/71/434818471.db2.gz RKWZYSYPJOJOGK-UHFFFAOYSA-N 0 0 304.390 3.114 10 30 DGEERN COc1ccccc1C(C)(C)c1noc(-c2ccc(C#N)n2C)n1 ZINC000453177924 434823841 /nfs/dbraw/zinc/82/38/41/434823841.db2.gz RQHFXGOSMOHWDL-UHFFFAOYSA-N 0 0 322.368 3.281 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccc(C(C)=O)cc3C2)CCOCC1 ZINC000424887118 434825058 /nfs/dbraw/zinc/82/50/58/434825058.db2.gz UVSDDIDBRSECAN-UHFFFAOYSA-N 0 0 313.397 3.104 10 30 DGEERN C=CCC(C)(C)c1noc(-c2ccnn2CC(F)(F)F)n1 ZINC000453189569 434825544 /nfs/dbraw/zinc/82/55/44/434825544.db2.gz QYALARZCJVPRDP-UHFFFAOYSA-N 0 0 300.284 3.349 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC000424926756 434829221 /nfs/dbraw/zinc/82/92/21/434829221.db2.gz UEEIYZBWAAPCAX-WFASDCNBSA-N 0 0 321.367 3.094 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)cccc1Br ZINC000424925714 434829387 /nfs/dbraw/zinc/82/93/87/434829387.db2.gz PXMDKVBKBKCLCE-AAEUAGOBSA-N 0 0 324.218 3.078 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000424920676 434829464 /nfs/dbraw/zinc/82/94/64/434829464.db2.gz CMKHHFVUKBEWAZ-UFBFGSQYSA-N 0 0 318.175 3.453 10 30 DGEERN N#Cc1cnccc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000372479782 434832135 /nfs/dbraw/zinc/83/21/35/434832135.db2.gz CRGFHMYLIPDTPK-GOSISDBHSA-N 0 0 311.360 3.042 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@H](c2cc(C)ccn2)C1 ZINC000573694769 434919219 /nfs/dbraw/zinc/91/92/19/434919219.db2.gz AJHJGVQONGYARX-KRWDZBQOSA-N 0 0 316.445 3.469 10 30 DGEERN Cn1cc(CCNc2ccncc2C#N)c2ccc(Cl)cc21 ZINC000553545554 434894950 /nfs/dbraw/zinc/89/49/50/434894950.db2.gz CYSDHKHRQFTLMA-UHFFFAOYSA-N 0 0 310.788 3.175 10 30 DGEERN COc1ccccc1[C@H]1C[C@@H](C)CCN1Cc1ncc(C#N)cn1 ZINC000521844211 434897832 /nfs/dbraw/zinc/89/78/32/434897832.db2.gz NORLQEYXHWUMDE-WMLDXEAASA-N 0 0 322.412 3.330 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1c(C)cccc1C ZINC000521174414 434873485 /nfs/dbraw/zinc/87/34/85/434873485.db2.gz LFIWKOIMBOYTPP-UHFFFAOYSA-N 0 0 301.308 3.259 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCC(C2CCOCC2)CC1 ZINC000554634801 434939570 /nfs/dbraw/zinc/93/95/70/434939570.db2.gz SQMCIOHKLDPBIQ-UHFFFAOYSA-N 0 0 318.465 3.231 10 30 DGEERN C=CCOc1ccc(CNc2ncn(C(C)(C)C)n2)cc1Cl ZINC000463250410 434949307 /nfs/dbraw/zinc/94/93/07/434949307.db2.gz NHORCCDQTSRIFA-UHFFFAOYSA-N 0 0 320.824 3.863 10 30 DGEERN C=C(C)[C@@H](NC(=O)NCC1=CCOCC1)c1ccc(F)c(F)c1 ZINC000574251222 434963097 /nfs/dbraw/zinc/96/30/97/434963097.db2.gz YQJKUDFYLKRKCI-MRXNPFEDSA-N 0 0 322.355 3.228 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000574287630 434965988 /nfs/dbraw/zinc/96/59/88/434965988.db2.gz HYDYGISCXPLESV-AWEZNQCLSA-N 0 0 306.410 3.013 10 30 DGEERN C=C(C)Cn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCCO1 ZINC000555263884 434967164 /nfs/dbraw/zinc/96/71/64/434967164.db2.gz LBSWQNMKEGVBNM-HNNXBMFYSA-N 0 0 304.438 3.127 10 30 DGEERN C=CCCCCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 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0 322.371 3.078 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000565186394 435278220 /nfs/dbraw/zinc/27/82/20/435278220.db2.gz WGHGYGBCOMMQMR-UHFFFAOYSA-N 0 0 323.462 3.242 10 30 DGEERN C=CCC1(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1 ZINC000565770267 435281618 /nfs/dbraw/zinc/28/16/18/435281618.db2.gz MOEZEXACXQKZNM-DZGCQCFKSA-N 0 0 303.402 3.392 10 30 DGEERN C=CCC1(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)CCOCC1 ZINC000565770268 435281645 /nfs/dbraw/zinc/28/16/45/435281645.db2.gz MOEZEXACXQKZNM-HIFRSBDPSA-N 0 0 303.402 3.392 10 30 DGEERN C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000567313567 435307588 /nfs/dbraw/zinc/30/75/88/435307588.db2.gz BKRPYFWPESBBEE-HOTGVXAUSA-N 0 0 324.428 3.052 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000583982441 435263476 /nfs/dbraw/zinc/26/34/76/435263476.db2.gz UBWHOYBTSYDJNG-OAHLLOKOSA-N 0 0 304.365 3.205 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(SC)cc1 ZINC000568198486 435405007 /nfs/dbraw/zinc/40/50/07/435405007.db2.gz ATMAHNKCSRBXDF-UHFFFAOYSA-N 0 0 306.431 3.210 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](c3cc(C)ccn3)C2)CCOCC1 ZINC000568225825 435410980 /nfs/dbraw/zinc/41/09/80/435410980.db2.gz QVUSTQJMTSXINX-INIZCTEOSA-N 0 0 314.429 3.079 10 30 DGEERN CC#CCN(Cc1ccc(OC)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000480883656 435398351 /nfs/dbraw/zinc/39/83/51/435398351.db2.gz QSDRGQABLLSAMH-UHFFFAOYSA-N 0 0 321.380 3.307 10 30 DGEERN C=CCCCCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000514870322 435445750 /nfs/dbraw/zinc/44/57/50/435445750.db2.gz IBCVLJFMSSWCRV-UHFFFAOYSA-N 0 0 308.385 3.220 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000515355461 435478113 /nfs/dbraw/zinc/47/81/13/435478113.db2.gz VNUWBKYLDWEYJI-STQMWFEESA-N 0 0 307.442 3.425 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000568452728 435438075 /nfs/dbraw/zinc/43/80/75/435438075.db2.gz LQXNWDPJAHCDKX-NSHDSACASA-N 0 0 308.353 3.397 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC(=C)CC1 ZINC000569102988 435504191 /nfs/dbraw/zinc/50/41/91/435504191.db2.gz YWJPVKCBNXQGHW-UHFFFAOYSA-N 0 0 301.419 3.052 10 30 DGEERN C=CCC1(CNC(=O)c2cccc3oc(=O)[nH]c32)CCCC1 ZINC000569138945 435508597 /nfs/dbraw/zinc/50/85/97/435508597.db2.gz SKPXXJLVJHRUPO-UHFFFAOYSA-N 0 0 300.358 3.400 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1OC ZINC000568900264 435482955 /nfs/dbraw/zinc/48/29/55/435482955.db2.gz WUJXXXPUYASIHU-UHFFFAOYSA-N 0 0 324.808 3.150 10 30 DGEERN N#Cc1ccnc(NC(=O)CCOc2ccc(F)c(Cl)c2)c1 ZINC000515428603 435484508 /nfs/dbraw/zinc/48/45/08/435484508.db2.gz SSPSCMXZNBWUTK-UHFFFAOYSA-N 0 0 319.723 3.153 10 30 DGEERN CC#CCCNC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000482866652 435487029 /nfs/dbraw/zinc/48/70/29/435487029.db2.gz GAMLJDBNWSQPLT-CQSZACIVSA-N 0 0 321.218 3.149 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](COc2ccccc2)C1 ZINC000484561399 435549305 /nfs/dbraw/zinc/54/93/05/435549305.db2.gz FPQBYMZPKIHNDW-UZLBHIALSA-N 0 0 322.408 3.399 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000539358708 435549360 /nfs/dbraw/zinc/54/93/60/435549360.db2.gz ZRAWZKFQGVBYEE-FQEVSTJZSA-N 0 0 322.408 3.450 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC000516956879 435566157 /nfs/dbraw/zinc/56/61/57/435566157.db2.gz AYKNCHMVYHEQEG-MRXNPFEDSA-N 0 0 310.397 3.005 10 30 DGEERN CN(CCc1ccc(Cl)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000539814821 435570729 /nfs/dbraw/zinc/57/07/29/435570729.db2.gz LBRJKEKBTYZCIX-UHFFFAOYSA-N 0 0 312.800 3.455 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(CC)cc2s1 ZINC000517071263 435572697 /nfs/dbraw/zinc/57/26/97/435572697.db2.gz LVNYZEZEDBNNPJ-YPMHNXCESA-N 0 0 302.399 3.388 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000487364995 435626182 /nfs/dbraw/zinc/62/61/82/435626182.db2.gz KVCZZRMCSSNTDK-SNVBAGLBSA-N 0 0 303.786 3.208 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000570569408 435631033 /nfs/dbraw/zinc/63/10/33/435631033.db2.gz RWLARSHISIMIPY-TXEJJXNPSA-N 0 0 317.462 3.378 10 30 DGEERN CC1(C#N)CCN(C(=O)NCc2cc3c(s2)CCCC3)CC1 ZINC000540956258 435631092 /nfs/dbraw/zinc/63/10/92/435631092.db2.gz RCUGDHFVXSGXST-UHFFFAOYSA-N 0 0 317.458 3.462 10 30 DGEERN N#Cc1cnccc1N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000548152764 435672459 /nfs/dbraw/zinc/67/24/59/435672459.db2.gz WTLZLTFWZDJMTH-IUODEOHRSA-N 0 0 303.287 3.362 10 30 DGEERN C=CCOCC(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC000490941131 435691440 /nfs/dbraw/zinc/69/14/40/435691440.db2.gz OBLCEYHFZMBUII-OAHLLOKOSA-N 0 0 313.319 3.269 10 30 DGEERN C=CCCCCCNC(=O)c1ccccc1S(=O)(=O)C(C)C ZINC000571295471 435695422 /nfs/dbraw/zinc/69/54/22/435695422.db2.gz ZETMUVMRFJPPKR-UHFFFAOYSA-N 0 0 323.458 3.345 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000571790334 435739787 /nfs/dbraw/zinc/73/97/87/435739787.db2.gz JKVOZRCCCLTQQR-NHYWBVRUSA-N 0 0 304.777 3.142 10 30 DGEERN C=CCCCCCNC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000571818941 435744947 /nfs/dbraw/zinc/74/49/47/435744947.db2.gz XPHWGKYLRYCRND-UHFFFAOYSA-N 0 0 305.426 3.651 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)COc1cccc2cccnc21 ZINC000571432390 435707158 /nfs/dbraw/zinc/70/71/58/435707158.db2.gz AJDAZPNDMYQSEH-GOSISDBHSA-N 0 0 311.385 3.058 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CC)CCC ZINC000519792004 435709945 /nfs/dbraw/zinc/70/99/45/435709945.db2.gz NTKSCNGSPWZQRT-UHFFFAOYSA-N 0 0 315.377 3.276 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000572256647 435800839 /nfs/dbraw/zinc/80/08/39/435800839.db2.gz RXJOWFIQQXIBLU-OAHLLOKOSA-N 0 0 302.418 3.058 10 30 DGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000408172439 301075827 /nfs/dbraw/zinc/07/58/27/301075827.db2.gz WINYIVWEDFJQIG-CXAGYDPISA-N 0 0 318.442 3.068 10 30 DGEERN Cc1ccnc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1C#N ZINC000275651186 302270983 /nfs/dbraw/zinc/27/09/83/302270983.db2.gz OGYYQFLPBKIMRG-QGZVFWFLSA-N 0 0 321.428 3.216 10 30 DGEERN N#CC1(NC(=O)CN2NC(=O)CC23CCCCC3)CCCCC1 ZINC000329682040 303138470 /nfs/dbraw/zinc/13/84/70/303138470.db2.gz SHGFJOXANTWXLS-UHFFFAOYSA-N 0 0 318.421 3.449 10 30 DGEERN N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000340077749 303195068 /nfs/dbraw/zinc/19/50/68/303195068.db2.gz BNVXFGNEFKRBFX-WMLDXEAASA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1cccc(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000262699678 303203762 /nfs/dbraw/zinc/20/37/62/303203762.db2.gz JPGJWIXZEVVJMM-SFHVURJKSA-N 0 0 308.381 3.124 10 30 DGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H](C2CC2)C1 ZINC000329335643 303508759 /nfs/dbraw/zinc/50/87/59/303508759.db2.gz ORSJOFDSYUSFKM-ZIAGYGMSSA-N 0 0 305.422 3.064 10 30 DGEERN COC(=O)c1c(F)cccc1NC(=O)c1ccc(C#N)cc1C ZINC000178683549 533699456 /nfs/dbraw/zinc/69/94/56/533699456.db2.gz JOONMTUMZIWLHC-UHFFFAOYSA-N 0 0 312.300 3.045 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000133787305 312676181 /nfs/dbraw/zinc/67/61/81/312676181.db2.gz WMXWBBWDTDICQP-UHFFFAOYSA-N 0 0 308.385 3.108 10 30 DGEERN CC(C)COc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000530907952 313416186 /nfs/dbraw/zinc/41/61/86/313416186.db2.gz AZKHQHSOXWUAMB-UHFFFAOYSA-N 0 0 322.408 3.452 10 30 DGEERN CCC(CC)[C@H](CCNC(=O)Cc1cccc(C#N)c1)OC ZINC000532621581 313565398 /nfs/dbraw/zinc/56/53/98/313565398.db2.gz VVPLTZLIYZWXEI-KRWDZBQOSA-N 0 0 302.418 3.058 10 30 DGEERN CN(C(=O)Cc1cccc(C#N)c1)c1cccc2ncccc21 ZINC000535556064 313718078 /nfs/dbraw/zinc/71/80/78/313718078.db2.gz QMMXKQZKCREBOE-UHFFFAOYSA-N 0 0 301.349 3.312 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC000536410119 313759535 /nfs/dbraw/zinc/75/95/35/313759535.db2.gz USUFYEJWSWGIIW-UHFFFAOYSA-N 0 0 310.784 3.339 10 30 DGEERN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Cc2cccc(C#N)c2)c1 ZINC000537228968 313803346 /nfs/dbraw/zinc/80/33/46/313803346.db2.gz CWIGEHQMUBEHPO-OALUTQOASA-N 0 0 320.392 3.172 10 30 DGEERN N#Cc1cccc(Cc2nc(COCc3ccccc3)no2)c1 ZINC000544711040 314207624 /nfs/dbraw/zinc/20/76/24/314207624.db2.gz ACNGRXIXTZOTEA-UHFFFAOYSA-N 0 0 305.337 3.249 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000546963765 314338162 /nfs/dbraw/zinc/33/81/62/314338162.db2.gz BZVLUHBJWRIIBH-UHFFFAOYSA-N 0 0 306.281 3.107 10 30 DGEERN COc1ccccc1C1(CNc2ccncc2C#N)CCCC1 ZINC000547361073 314359839 /nfs/dbraw/zinc/35/98/39/314359839.db2.gz SCPSDNBCLCRIIV-UHFFFAOYSA-N 0 0 307.397 3.308 10 30 DGEERN COc1cc(C#N)ccc1NCc1noc(-c2ccccc2)n1 ZINC000547414830 314365261 /nfs/dbraw/zinc/36/52/61/314365261.db2.gz PWUKHMKRYWMFFY-UHFFFAOYSA-N 0 0 306.325 3.229 10 30 DGEERN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)c2cccc(F)c2O1 ZINC000547901832 314406090 /nfs/dbraw/zinc/40/60/90/314406090.db2.gz NPCYIBMHTYQZGV-GFCCVEGCSA-N 0 0 310.328 3.054 10 30 DGEERN CO[C@@H]1CCOc2c(NC(=O)Cc3cccc(C#N)c3)cccc21 ZINC000548072960 314418662 /nfs/dbraw/zinc/41/86/62/314418662.db2.gz DCBHAIYEUGMUIZ-QGZVFWFLSA-N 0 0 322.364 3.209 10 30 DGEERN COc1ccc(Cc2nnc(Sc3ccncc3C#N)o2)cc1 ZINC000548479693 314451575 /nfs/dbraw/zinc/45/15/75/314451575.db2.gz XLOJOBDNTWSEDO-UHFFFAOYSA-N 0 0 324.365 3.087 10 30 DGEERN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1ccncc1C#N ZINC000553226119 314636231 /nfs/dbraw/zinc/63/62/31/314636231.db2.gz AGMQTXGQKCEUBT-MRXNPFEDSA-N 0 0 312.394 3.138 10 30 DGEERN CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1nc(C)cc(C#N)n1 ZINC000553517765 314647045 /nfs/dbraw/zinc/64/70/45/314647045.db2.gz ZKTUEKCQKJBADW-XHDPSFHLSA-N 0 0 316.792 3.498 10 30 DGEERN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000555096845 314711259 /nfs/dbraw/zinc/71/12/59/314711259.db2.gz GEFOEQITBUUCBU-IRXDYDNUSA-N 0 0 321.428 3.463 10 30 DGEERN N#Cc1cnccc1N[C@@H]1C[C@H]1c1ccccc1Br ZINC000561307929 314963756 /nfs/dbraw/zinc/96/37/56/314963756.db2.gz CNBZNOKJOFHFKL-SWLSCSKDSA-N 0 0 314.186 3.106 10 30 DGEERN Cc1cc(C#N)nc(N(C)CCOc2ccccc2C(C)(C)C)n1 ZINC000567071197 315394476 /nfs/dbraw/zinc/39/44/76/315394476.db2.gz ZEGGQHJNLQASNN-UHFFFAOYSA-N 0 0 324.428 3.469 10 30 DGEERN C[C@@H](Cn1cc(Br)cc(C#N)c1=O)c1ccccc1 ZINC000384881575 323629702 /nfs/dbraw/zinc/62/97/02/323629702.db2.gz JYEJUXNQBJBVNM-NSHDSACASA-N 0 0 317.186 3.286 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000186429227 332925981 /nfs/dbraw/zinc/92/59/81/332925981.db2.gz WBOYPMRWIPPBIV-PBHICJAKSA-N 0 0 320.408 3.293 10 30 DGEERN C=CCN(C(=O)NCCc1ccccc1Br)C1CC1 ZINC000557219749 331777132 /nfs/dbraw/zinc/77/71/32/331777132.db2.gz NVKJFUOOCSXNHD-UHFFFAOYSA-N 0 0 323.234 3.352 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc(COc2ccccc2C)no1 ZINC000558346590 331897807 /nfs/dbraw/zinc/89/78/07/331897807.db2.gz SJXAKHSWMBUKLH-CZUORRHYSA-N 0 0 300.358 3.406 10 30 DGEERN C[C@H](C(=O)NCC1CCC(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000558667632 331933153 /nfs/dbraw/zinc/93/31/53/331933153.db2.gz HFYJDCCCKPOWGZ-HSBZDZAISA-N 0 0 315.373 3.144 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000518212876 331997255 /nfs/dbraw/zinc/99/72/55/331997255.db2.gz HOOHFRYGTSMNDK-WBVHZDCISA-N 0 0 304.434 3.024 10 30 DGEERN COC(=O)c1sccc1CN(CCC#N)Cc1ccco1 ZINC000088537503 332054039 /nfs/dbraw/zinc/05/40/39/332054039.db2.gz HZDVQRBZRMSFOV-UHFFFAOYSA-N 0 0 304.371 3.044 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000185002723 335103619 /nfs/dbraw/zinc/10/36/19/335103619.db2.gz GCNANVBGCWNEMK-CQSZACIVSA-N 0 0 300.402 3.032 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000560845369 332390333 /nfs/dbraw/zinc/39/03/33/332390333.db2.gz BUKFJPYSILPGRS-CABCVRRESA-N 0 0 324.371 3.197 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000561487424 332456038 /nfs/dbraw/zinc/45/60/38/332456038.db2.gz ZYBOMDWBXTYIBL-INIZCTEOSA-N 0 0 308.422 3.186 10 30 DGEERN C[C@](C#N)(NC(=O)Cn1ncc2ccccc21)C1CCCCC1 ZINC000561601373 332467966 /nfs/dbraw/zinc/46/79/66/332467966.db2.gz NTHQLLSDDBIYRR-GOSISDBHSA-N 0 0 310.401 3.015 10 30 DGEERN CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1nccs1 ZINC000151707329 332604171 /nfs/dbraw/zinc/60/41/71/332604171.db2.gz QXWGDLWMGYUNHM-CYBMUJFWSA-N 0 0 300.387 3.482 10 30 DGEERN C=CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000562905010 332639443 /nfs/dbraw/zinc/63/94/43/332639443.db2.gz HBXAJJLLFOQKLX-WBVHZDCISA-N 0 0 324.428 3.340 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CSC)c1 ZINC000569688777 332660240 /nfs/dbraw/zinc/66/02/40/332660240.db2.gz DYQRQKDUCAYTPW-ZFWWWQNUSA-N 0 0 306.431 3.262 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000562996234 333026114 /nfs/dbraw/zinc/02/61/14/333026114.db2.gz VFYYZHBDZBZXIN-ZANVPECISA-N 0 0 322.767 3.281 10 30 DGEERN NC(=O)CCCCC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000188755422 333054570 /nfs/dbraw/zinc/05/45/70/333054570.db2.gz BXPUQONXXMBBGT-UHFFFAOYSA-N 0 0 320.392 3.071 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180962493 333166447 /nfs/dbraw/zinc/16/64/47/333166447.db2.gz WXVGWVSCSUYEKE-LBPRGKRZSA-N 0 0 323.396 3.208 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000563884548 335123596 /nfs/dbraw/zinc/12/35/96/335123596.db2.gz UQWQQYDBCQBHAP-BZSNNMDCSA-N 0 0 314.429 3.336 10 30 DGEERN N#CCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185720977 333212720 /nfs/dbraw/zinc/21/27/20/333212720.db2.gz BVYMLWXMYXGXLH-AAEUAGOBSA-N 0 0 313.184 3.101 10 30 DGEERN COCCC(C)(C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000185714027 333212721 /nfs/dbraw/zinc/21/27/21/333212721.db2.gz XBZYTGLGYQNSNM-UHFFFAOYSA-N 0 0 300.402 3.034 10 30 DGEERN COc1cnccc1[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000189614445 333260104 /nfs/dbraw/zinc/26/01/04/333260104.db2.gz CBZAABBMNKHLLG-CYBMUJFWSA-N 0 0 321.380 3.136 10 30 DGEERN C=CC[C@@H](C(=O)NCc1cccnc1N(C)C)c1ccccc1 ZINC000188241573 333361770 /nfs/dbraw/zinc/36/17/70/333361770.db2.gz JBGXEXNAPHOYGS-QGZVFWFLSA-N 0 0 309.413 3.124 10 30 DGEERN C=CC[C@H](C(=O)Nc1nnc2cc(C)ccn21)c1ccccc1 ZINC000188518375 333370319 /nfs/dbraw/zinc/37/03/19/333370319.db2.gz YDFDQOZBPIKOIO-HNNXBMFYSA-N 0 0 306.369 3.336 10 30 DGEERN C=CCOCC(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC000521439422 333411798 /nfs/dbraw/zinc/41/17/98/333411798.db2.gz NRJRQQIWKNCIOR-UHFFFAOYSA-N 0 0 317.429 3.069 10 30 DGEERN C#Cc1ccc(CNC(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000296412683 335144461 /nfs/dbraw/zinc/14/44/61/335144461.db2.gz QYQJQXCVJFHFLG-UHFFFAOYSA-N 0 0 323.400 3.086 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531627903 333538703 /nfs/dbraw/zinc/53/87/03/333538703.db2.gz MOIVRKHTJHRXLY-UHFFFAOYSA-N 0 0 303.362 3.198 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000160811079 333665460 /nfs/dbraw/zinc/66/54/60/333665460.db2.gz XRESXFMAOAXPME-SJCJKPOMSA-N 0 0 320.820 3.480 10 30 DGEERN C=CCCCCCNC(=O)Nc1c(C)nn(CCOC)c1C ZINC000571578214 333817529 /nfs/dbraw/zinc/81/75/29/333817529.db2.gz HAOXHKHWDNZYIU-UHFFFAOYSA-N 0 0 308.426 3.014 10 30 DGEERN Cc1cc(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)c(C)s1 ZINC000161144420 333819765 /nfs/dbraw/zinc/81/97/65/333819765.db2.gz ARZASDIMKUOHLZ-ZDUSSCGKSA-N 0 0 312.460 3.116 10 30 DGEERN C[C@@H](CC(=O)N(CC#N)C1CC1)c1ccc(Br)cc1 ZINC000269305130 334000181 /nfs/dbraw/zinc/00/01/81/334000181.db2.gz ZXXOVUFLOLXKLQ-NSHDSACASA-N 0 0 321.218 3.457 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@H]1CCc2c1cccc2F ZINC000341414769 334443822 /nfs/dbraw/zinc/44/38/22/334443822.db2.gz AXIYKBINDQSKKI-HNNXBMFYSA-N 0 0 312.344 3.203 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000126670143 334860607 /nfs/dbraw/zinc/86/06/07/334860607.db2.gz SSZCGGBSBDYPLR-QGZVFWFLSA-N 0 0 318.461 3.396 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000077186092 334923340 /nfs/dbraw/zinc/92/33/40/334923340.db2.gz XOJXMXLCKRZODQ-UHFFFAOYSA-N 0 0 301.390 3.243 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C)[C@@H]1C ZINC000350595453 335763722 /nfs/dbraw/zinc/76/37/22/335763722.db2.gz DYUJOGILCSEZFF-ZQIUZPCESA-N 0 0 324.428 3.375 10 30 DGEERN C=CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000532504951 336252644 /nfs/dbraw/zinc/25/26/44/336252644.db2.gz OPCSXSOZRNCERB-HNNXBMFYSA-N 0 0 311.341 3.427 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000182581196 336272859 /nfs/dbraw/zinc/27/28/59/336272859.db2.gz DNAUUURXCCQDSK-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000571671665 336316202 /nfs/dbraw/zinc/31/62/02/336316202.db2.gz LWJKPKRRQRPGFT-YOEHRIQHSA-N 0 0 313.397 3.299 10 30 DGEERN C=CCCCN(C)C(=O)[C@](C)(O)CSc1cccc(F)c1 ZINC000353281376 336409908 /nfs/dbraw/zinc/40/99/08/336409908.db2.gz AQCIQRAUDCSPMY-MRXNPFEDSA-N 0 0 311.422 3.093 10 30 DGEERN C=C(CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1 ZINC000354678302 336478444 /nfs/dbraw/zinc/47/84/44/336478444.db2.gz IPXFZILUYVXIHE-UHFFFAOYSA-N 0 0 320.392 3.360 10 30 DGEERN C=CC[C@@H]1N(C(=O)C2CN(CC(F)(F)F)C2)CCCC1(C)C ZINC000357349686 336582095 /nfs/dbraw/zinc/58/20/95/336582095.db2.gz URCROHYAJWKCSZ-ZDUSSCGKSA-N 0 0 318.383 3.074 10 30 DGEERN C=CC[C@@H](CC)N1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000359184786 336662013 /nfs/dbraw/zinc/66/20/13/336662013.db2.gz VRCJQFOTFNZMLO-ZIAGYGMSSA-N 0 0 306.793 3.158 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC(C)(C)C1 ZINC000514672241 337158629 /nfs/dbraw/zinc/15/86/29/337158629.db2.gz IMJFTWRXHCRELU-UHFFFAOYSA-N 0 0 303.435 3.132 10 30 DGEERN CCCCCCCCCCCC(=O)NC[C@@H](CO)OCC ZINC000584602245 337371099 /nfs/dbraw/zinc/37/10/99/337371099.db2.gz KPTIKIFJCSPNRM-INIZCTEOSA-N 0 0 301.471 3.421 10 30 DGEERN CCCCCCCCCCCCO[C@H](CO)CNC(C)=O ZINC000584591198 337373389 /nfs/dbraw/zinc/37/33/89/337373389.db2.gz ZEPYCFPCKYCVIP-KRWDZBQOSA-N 0 0 301.471 3.421 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=C(C=O)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000584591616 337373511 /nfs/dbraw/zinc/37/35/11/337373511.db2.gz LRHXJJYWPMMHHM-NSXXLHRISA-N 0 0 316.441 3.304 10 30 DGEERN Clc1cc(N=NCc2ccc(Br)cc2)ncn1 ZINC000584658103 337378120 /nfs/dbraw/zinc/37/81/20/337378120.db2.gz BJJXNGMRMQQGAM-OMCISZLKSA-N 0 0 311.570 3.339 10 30 DGEERN N#C[C@H](c1cccc(Br)c1)[C@@H](CCO)c1cnco1 ZINC000584638510 337379654 /nfs/dbraw/zinc/37/96/54/337379654.db2.gz GTJIGMMNMWTUEQ-CHWSQXEVSA-N 0 0 321.174 3.210 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(C(=O)NCCCC)CC1 ZINC000521456567 337424405 /nfs/dbraw/zinc/42/44/05/337424405.db2.gz BNXUISGPNWSVPE-UHFFFAOYSA-N 0 0 323.481 3.071 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000135114177 337450832 /nfs/dbraw/zinc/45/08/32/337450832.db2.gz XBMGZCGCTIAXMJ-LRDDRELGSA-N 0 0 307.825 3.032 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCS1(=O)=O ZINC000571698987 337571791 /nfs/dbraw/zinc/57/17/91/337571791.db2.gz VUGOYGHRERMBBE-HNNXBMFYSA-N 0 0 321.442 3.054 10 30 DGEERN C/C=C\c1ccc(OCC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000255292329 337601941 /nfs/dbraw/zinc/60/19/41/337601941.db2.gz KPEBSKPVNVNGCA-MJRGOJFPSA-N 0 0 316.401 3.162 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000278807079 337668099 /nfs/dbraw/zinc/66/80/99/337668099.db2.gz YMVMBZATMSJMIG-HZPDHXFCSA-N 0 0 305.393 3.201 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000527485250 337744404 /nfs/dbraw/zinc/74/44/04/337744404.db2.gz LAEVDWQFLAFLEL-PBHICJAKSA-N 0 0 306.406 3.011 10 30 DGEERN C=CCCn1cc(CN[C@H]2CCc3cc(Cl)ccc32)nn1 ZINC000527795828 337764480 /nfs/dbraw/zinc/76/44/80/337764480.db2.gz TZLIYFUCPORLSF-INIZCTEOSA-N 0 0 302.809 3.285 10 30 DGEERN COc1ccccc1C[C@H](C)CC(=O)NC1(C#N)CCCC1 ZINC000107249380 337827212 /nfs/dbraw/zinc/82/72/12/337827212.db2.gz YNSWYHIYFLMQLM-AWEZNQCLSA-N 0 0 300.402 3.216 10 30 DGEERN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000108829243 337841489 /nfs/dbraw/zinc/84/14/89/337841489.db2.gz IWCCOWGFENXXRK-MLGOLLRUSA-N 0 0 300.402 3.170 10 30 DGEERN C=CCn1c(CC)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC000514894193 337973471 /nfs/dbraw/zinc/97/34/71/337973471.db2.gz VSJBLRYHMYGZLT-QGZVFWFLSA-N 0 0 300.381 3.102 10 30 DGEERN CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000504389694 340146795 /nfs/dbraw/zinc/14/67/95/340146795.db2.gz UZMBJGZBBPQTGT-KGLIPLIRSA-N 0 0 309.479 3.386 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000505051048 340160131 /nfs/dbraw/zinc/16/01/31/340160131.db2.gz HZRCOBTXCSYMSZ-GDBMZVCRSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC1(C)C ZINC000505678764 340174834 /nfs/dbraw/zinc/17/48/34/340174834.db2.gz TWCWODPGXUUGLQ-MRXNPFEDSA-N 0 0 314.429 3.439 10 30 DGEERN CC(C)c1cccc(OCC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000507827360 340233442 /nfs/dbraw/zinc/23/34/42/340233442.db2.gz SBVFOLAPBLPIAH-UHFFFAOYSA-N 0 0 300.402 3.341 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)CC(C)(C)C ZINC000508905323 340255631 /nfs/dbraw/zinc/25/56/31/340255631.db2.gz ZJNBLLMZSQBRPJ-UHFFFAOYSA-N 0 0 302.422 3.325 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000508930712 340255979 /nfs/dbraw/zinc/25/59/79/340255979.db2.gz GCMIBQMGWCEATM-GDBMZVCRSA-N 0 0 318.465 3.056 10 30 DGEERN C=CCOCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000510185458 340291907 /nfs/dbraw/zinc/29/19/07/340291907.db2.gz MICGGTOMYXMPOK-GXFFZTMASA-N 0 0 314.212 3.416 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@@H]1C ZINC000511880986 340341577 /nfs/dbraw/zinc/34/15/77/340341577.db2.gz UDFNOKZQXSYPFR-WFASDCNBSA-N 0 0 303.362 3.091 10 30 DGEERN C=CC1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173301280 340361891 /nfs/dbraw/zinc/36/18/91/340361891.db2.gz ZDMMRUVEMLDOQO-HUUCEWRRSA-N 0 0 322.449 3.104 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173712843 340372554 /nfs/dbraw/zinc/37/25/54/340372554.db2.gz IXMXOGMUGRBIHS-AWEZNQCLSA-N 0 0 320.481 3.356 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC000517123611 340464290 /nfs/dbraw/zinc/46/42/90/340464290.db2.gz ULMYJZLABZYKTL-XQQFMLRXSA-N 0 0 324.519 3.362 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC000183299924 340487357 /nfs/dbraw/zinc/48/73/57/340487357.db2.gz LZQFPWQKVIEAHY-LJQANCHMSA-N 0 0 324.424 3.398 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCC#CC ZINC000185316290 340499995 /nfs/dbraw/zinc/49/99/95/340499995.db2.gz JLRKIWQBQAKFAX-UHFFFAOYSA-N 0 0 300.358 3.303 10 30 DGEERN C=C(C)COCCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000189212751 340530131 /nfs/dbraw/zinc/53/01/31/340530131.db2.gz AIVXQKQMKUIQMB-UHFFFAOYSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC=C(C)C ZINC000190669304 340546280 /nfs/dbraw/zinc/54/62/80/340546280.db2.gz RRFIVKFHCXEBJR-UHFFFAOYSA-N 0 0 303.362 3.259 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C#N ZINC000521922727 340557451 /nfs/dbraw/zinc/55/74/51/340557451.db2.gz ODRMBEZLOZZTIB-RKDXNWHRSA-N 0 0 301.173 3.037 10 30 DGEERN C#CCN(Cc1nnc(C(C)C)n1C)[C@@H]1CCc2ccccc21 ZINC000195081008 340573867 /nfs/dbraw/zinc/57/38/67/340573867.db2.gz YEEHDOSTHDDPNU-QGZVFWFLSA-N 0 0 308.429 3.061 10 30 DGEERN C=CC[C@@H]1N(C(=O)Cn2ccc(C(F)F)n2)CCCC1(C)C ZINC000529182137 340747796 /nfs/dbraw/zinc/74/77/96/340747796.db2.gz CUHZWDSSJDGQKL-ZDUSSCGKSA-N 0 0 311.376 3.414 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCC12CC2 ZINC000529365860 340753451 /nfs/dbraw/zinc/75/34/51/340753451.db2.gz NWCHHLVJBGAAIX-INIZCTEOSA-N 0 0 303.402 3.257 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cnn2c1CCCC2 ZINC000126019053 340820249 /nfs/dbraw/zinc/82/02/49/340820249.db2.gz XANHMXSLXCKNEY-UHFFFAOYSA-N 0 0 301.415 3.109 10 30 DGEERN C=CCN(C(=O)NCc1ccccc1OC(F)(F)F)C1CC1 ZINC000538958256 340863407 /nfs/dbraw/zinc/86/34/07/340863407.db2.gz RKNYSRGDPFHDBX-UHFFFAOYSA-N 0 0 314.307 3.445 10 30 DGEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000541870627 340986588 /nfs/dbraw/zinc/98/65/88/340986588.db2.gz GILXEBWNSQRCRS-OAHLLOKOSA-N 0 0 301.365 3.148 10 30 DGEERN N#CCC1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000543828028 341060578 /nfs/dbraw/zinc/06/05/78/341060578.db2.gz VEQWCHJQHUQACR-UHFFFAOYSA-N 0 0 318.324 3.319 10 30 DGEERN C[C@@H](Nc1ccc(CC#N)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000072711624 341100448 /nfs/dbraw/zinc/10/04/48/341100448.db2.gz XFGGHGWJVDTFTK-HUUCEWRRSA-N 0 0 307.397 3.430 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000546666401 341178035 /nfs/dbraw/zinc/17/80/35/341178035.db2.gz SRUZZAVUMLMQTC-CYBMUJFWSA-N 0 0 303.362 3.017 10 30 DGEERN C=CCOc1ccccc1CNc1ccc2c(c1)OCC(=O)N2C ZINC000547374251 341209639 /nfs/dbraw/zinc/20/96/39/341209639.db2.gz CRMNFWKOBPGOCL-UHFFFAOYSA-N 0 0 324.380 3.219 10 30 DGEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000134251630 341210977 /nfs/dbraw/zinc/21/09/77/341210977.db2.gz FCALLUCPUZILIX-APHBMKBZSA-N 0 0 321.852 3.349 10 30 DGEERN C=CCCCN(C)C(=O)NCCCN1CCc2ccccc21 ZINC000076943756 341216100 /nfs/dbraw/zinc/21/61/00/341216100.db2.gz YBZVILDCUQPMCU-UHFFFAOYSA-N 0 0 301.434 3.047 10 30 DGEERN C=C(C)[C@H](NC(=O)NCC[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000547483463 341216427 /nfs/dbraw/zinc/21/64/27/341216427.db2.gz MYBJSHOAWDWSTF-LRDDRELGSA-N 0 0 324.371 3.308 10 30 DGEERN C=CC[C@H](C(=O)N1CCC[C@H]1C(=O)OC(C)C)c1ccccc1 ZINC000547652226 341225258 /nfs/dbraw/zinc/22/52/58/341225258.db2.gz LLUAYIICLXURFL-IRXDYDNUSA-N 0 0 315.413 3.289 10 30 DGEERN Cc1ccc(NCC#Cc2ccc(F)cc2)cc1S(C)(=O)=O ZINC000134907563 341226390 /nfs/dbraw/zinc/22/63/90/341226390.db2.gz WISKWODRFWMXGH-UHFFFAOYSA-N 0 0 317.385 3.001 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000548811979 341276654 /nfs/dbraw/zinc/27/66/54/341276654.db2.gz AWRABKHGBYXZDK-UHFFFAOYSA-N 0 0 323.396 3.496 10 30 DGEERN N#CC1CCC(CNC(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000548843676 341277666 /nfs/dbraw/zinc/27/76/66/341277666.db2.gz TYWKSLXHQFGCSV-UHFFFAOYSA-N 0 0 321.424 3.466 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC000548851887 341278044 /nfs/dbraw/zinc/27/80/44/341278044.db2.gz IFUUTMCATYKBHN-OKILXGFUSA-N 0 0 308.495 3.383 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@H](OC(F)F)C2)c1 ZINC000549232237 341289178 /nfs/dbraw/zinc/28/91/78/341289178.db2.gz YAGUOLSSBMZRGL-ZDUSSCGKSA-N 0 0 312.316 3.097 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000081613315 341299289 /nfs/dbraw/zinc/29/92/89/341299289.db2.gz RUPFBLGSEBVOLM-WMLDXEAASA-N 0 0 318.417 3.314 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000081613318 341299307 /nfs/dbraw/zinc/29/93/07/341299307.db2.gz RUPFBLGSEBVOLM-YOEHRIQHSA-N 0 0 318.417 3.314 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000549698659 341300935 /nfs/dbraw/zinc/30/09/35/341300935.db2.gz NBKQZPIYPGRKHG-SFHVURJKSA-N 0 0 314.408 3.470 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)c1ncnc2ccccc21 ZINC000553676509 341433793 /nfs/dbraw/zinc/43/37/93/341433793.db2.gz KEXOZQDWPNSQPH-UHFFFAOYSA-N 0 0 309.369 3.298 10 30 DGEERN C=CCC(CC=C)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000565423602 341526888 /nfs/dbraw/zinc/52/68/88/341526888.db2.gz FZZUDWPMGAGDLT-AWEZNQCLSA-N 0 0 303.427 3.424 10 30 DGEERN C=CCCCCCNC(=O)N1CCc2ccccc2[C@H]1CO ZINC000565548241 341530685 /nfs/dbraw/zinc/53/06/85/341530685.db2.gz GWHQHRDUFUCITH-QGZVFWFLSA-N 0 0 302.418 3.034 10 30 DGEERN CC(C)(C#N)c1ccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000566017327 341545556 /nfs/dbraw/zinc/54/55/56/341545556.db2.gz MQHLCDVZKHOUDR-HNNXBMFYSA-N 0 0 324.384 3.315 10 30 DGEERN C=CCCCN(C)c1nnc(CC(F)(F)F)n1CC(=C)C ZINC000566219431 341551069 /nfs/dbraw/zinc/55/10/69/341551069.db2.gz CVTLEFLPXPWISC-UHFFFAOYSA-N 0 0 302.344 3.361 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(C(=O)OC)s1 ZINC000567913115 341640338 /nfs/dbraw/zinc/64/03/38/341640338.db2.gz WKGDMCPBCYHWDH-UHFFFAOYSA-N 0 0 310.419 3.080 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000575983101 341818325 /nfs/dbraw/zinc/81/83/25/341818325.db2.gz MSAIFNCILMOXGX-RDJZCZTQSA-N 0 0 316.445 3.163 10 30 DGEERN C=CCCCCCNC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000576884351 341868033 /nfs/dbraw/zinc/86/80/33/341868033.db2.gz AVCLEJMLFOGDBC-UHFFFAOYSA-N 0 0 324.424 3.373 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(NC(C)=O)cc1 ZINC000577384661 341907256 /nfs/dbraw/zinc/90/72/56/341907256.db2.gz FVNWOOARDJGFNV-UHFFFAOYSA-N 0 0 303.406 3.191 10 30 DGEERN C=CCCCCCNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000577387141 341907371 /nfs/dbraw/zinc/90/73/71/341907371.db2.gz ZRAYZJCCAZKDIO-ZDUSSCGKSA-N 0 0 321.387 3.011 10 30 DGEERN C=CCCCNC(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000441130586 500571305 /nfs/dbraw/zinc/57/13/05/500571305.db2.gz IMGKLCVFZBFQTB-VKJFTORMSA-N 0 0 306.450 3.332 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000362722742 500571912 /nfs/dbraw/zinc/57/19/12/500571912.db2.gz HIDKZMLCOIKYJP-YOEHRIQHSA-N 0 0 319.401 3.402 10 30 DGEERN C[C@@H](Cc1cccs1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187896443 534255242 /nfs/dbraw/zinc/25/52/42/534255242.db2.gz DJRWQSQLTHZRAU-ZDUSSCGKSA-N 0 0 310.422 3.399 10 30 DGEERN O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)[C@@H]1CCCC(=O)N1 ZINC000329307872 534329366 /nfs/dbraw/zinc/32/93/66/534329366.db2.gz YPKMIZRROBTBAC-QMMMGPOBSA-N 0 0 323.736 3.417 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000469815443 534359760 /nfs/dbraw/zinc/35/97/60/534359760.db2.gz FEBVBCIAXNBHRF-NCXUSEDFSA-N 0 0 313.441 3.495 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000469400323 534361306 /nfs/dbraw/zinc/36/13/06/534361306.db2.gz SDJCKSJPRZNBSI-CGTJXYLNSA-N 0 0 301.430 3.332 10 30 DGEERN C=C(CC)CNC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000459081427 534407487 /nfs/dbraw/zinc/40/74/87/534407487.db2.gz RAFGSPHAYUSQFK-UHFFFAOYSA-N 0 0 318.417 3.344 10 30 DGEERN C=C(CC)CNC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000455454164 534414138 /nfs/dbraw/zinc/41/41/38/534414138.db2.gz YWTCYLZUZSGAEI-UHFFFAOYSA-N 0 0 301.346 3.042 10 30 DGEERN C=CCn1c(N(C)C2CCCCC2)nnc1[C@]1(C)CCCO1 ZINC000453447425 534441627 /nfs/dbraw/zinc/44/16/27/534441627.db2.gz XIPZPKSVFOMMJD-KRWDZBQOSA-N 0 0 304.438 3.259 10 30 DGEERN C=CC(C)(C)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000450081123 534499512 /nfs/dbraw/zinc/49/95/12/534499512.db2.gz JHGJENWFIHUNKA-OAHLLOKOSA-N 0 0 317.429 3.239 10 30 DGEERN Cc1oc(NC(=O)CN2CC[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127534166 534546944 /nfs/dbraw/zinc/54/69/44/534546944.db2.gz IEJDNIPMDCCHEZ-RYUDHWBXSA-N 0 0 303.406 3.075 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000488876747 534555523 /nfs/dbraw/zinc/55/55/23/534555523.db2.gz XZTDPAPMEYBXDK-CYBMUJFWSA-N 0 0 304.346 3.174 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000451392944 534580856 /nfs/dbraw/zinc/58/08/56/534580856.db2.gz IMAFWLTZPIEHPO-HCXYKTFWSA-N 0 0 307.393 3.403 10 30 DGEERN N#CC1CCC(CNC(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000441011611 534581178 /nfs/dbraw/zinc/58/11/78/534581178.db2.gz POQLQGGPMNEXJY-UHFFFAOYSA-N 0 0 310.401 3.297 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1 ZINC000455678944 534703271 /nfs/dbraw/zinc/70/32/71/534703271.db2.gz GECSLRMPKARWEE-UHFFFAOYSA-N 0 0 313.405 3.220 10 30 DGEERN N#Cc1ccnc(NC(=O)CCCOc2ccccc2Cl)c1 ZINC000435995255 534824023 /nfs/dbraw/zinc/82/40/23/534824023.db2.gz QDGGYFSMRKBZNL-UHFFFAOYSA-N 0 0 315.760 3.404 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000156584684 525956075 /nfs/dbraw/zinc/95/60/75/525956075.db2.gz JERBFEACFZTOPK-CYBMUJFWSA-N 0 0 324.355 3.270 10 30 DGEERN CC#CCCCC(=O)NCc1cc(F)cc(Br)c1 ZINC000185243191 526299284 /nfs/dbraw/zinc/29/92/84/526299284.db2.gz XTLOBTFVSRAMFF-UHFFFAOYSA-N 0 0 312.182 3.398 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Nc1ccnn1CCC ZINC000351851271 526320339 /nfs/dbraw/zinc/32/03/39/526320339.db2.gz KYYRXDKAWINRRG-UHFFFAOYSA-N 0 0 302.378 3.149 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1nccc(C)n1 ZINC000348010316 526336087 /nfs/dbraw/zinc/33/60/87/526336087.db2.gz KWTNILYHLZLBBR-UHFFFAOYSA-N 0 0 307.806 3.328 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)CCOC ZINC000184427125 526346265 /nfs/dbraw/zinc/34/62/65/526346265.db2.gz BARPIANQNZUWGQ-UHFFFAOYSA-N 0 0 320.389 3.172 10 30 DGEERN C=C(C)CCSCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000350747914 526459016 /nfs/dbraw/zinc/45/90/16/526459016.db2.gz NWTRKACSJBAOPA-UHFFFAOYSA-N 0 0 323.458 3.062 10 30 DGEERN C=C(C)CCSCC(=O)Nc1ccccc1N1CCCC1=O ZINC000350803785 526460593 /nfs/dbraw/zinc/46/05/93/526460593.db2.gz UZPYOMNIGKHENU-UHFFFAOYSA-N 0 0 318.442 3.451 10 30 DGEERN C=C(C)CCSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000350718770 526464109 /nfs/dbraw/zinc/46/41/09/526464109.db2.gz GKJNYCRCQUATKJ-UHFFFAOYSA-N 0 0 301.389 3.057 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421902175 526557782 /nfs/dbraw/zinc/55/77/82/526557782.db2.gz BVBFYJJFKLVOSR-RBSFLKMASA-N 0 0 303.402 3.113 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N1CC[C@@H](COC)C1 ZINC000337751075 526564433 /nfs/dbraw/zinc/56/44/33/526564433.db2.gz FYOXHZKXHHQBTL-QGZVFWFLSA-N 0 0 302.418 3.153 10 30 DGEERN CC(C)(C)SCC(=O)Nc1ncccc1OCCCC#N ZINC000171060113 526604165 /nfs/dbraw/zinc/60/41/65/526604165.db2.gz MSSYZLVWPLGUTD-UHFFFAOYSA-N 0 0 307.419 3.234 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC000338682577 526618488 /nfs/dbraw/zinc/61/84/88/526618488.db2.gz VMVLDAMGAMUWPL-IVWMJMPLSA-N 0 0 313.401 3.369 10 30 DGEERN C=CCNC(=O)c1ccc(N(C)Cc2cc(C)cc(C)c2)nc1 ZINC000433816350 526639830 /nfs/dbraw/zinc/63/98/30/526639830.db2.gz VEGCHQOHRIULFU-UHFFFAOYSA-N 0 0 309.413 3.251 10 30 DGEERN C=C(C)COc1cccc(N2C(=O)N[C@H](CC=CC)C2=O)c1 ZINC000445951996 526663953 /nfs/dbraw/zinc/66/39/53/526663953.db2.gz GQCJJVLTIPHPSH-MBVDDHJVSA-N 0 0 300.358 3.033 10 30 DGEERN C#CCC(C)(C)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000185669123 526665010 /nfs/dbraw/zinc/66/50/10/526665010.db2.gz RVDDNASWUNIANO-XJKSGUPXSA-N 0 0 303.377 3.164 10 30 DGEERN C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000185669163 526665345 /nfs/dbraw/zinc/66/53/45/526665345.db2.gz RVDDNASWUNIANO-BBRMVZONSA-N 0 0 303.377 3.164 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000287155799 526669968 /nfs/dbraw/zinc/66/99/68/526669968.db2.gz AFNYDWCBMOZPHQ-UHFFFAOYSA-N 0 0 315.438 3.038 10 30 DGEERN C=C(C)COc1cccc(NC(=O)[C@H]2CCCc3n[nH]cc32)c1 ZINC000134252264 526671049 /nfs/dbraw/zinc/67/10/49/526671049.db2.gz SXBQIWTVNFZMRN-HNNXBMFYSA-N 0 0 311.385 3.423 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000287577342 526672885 /nfs/dbraw/zinc/67/28/85/526672885.db2.gz LXZJLETTXFRXLJ-UHFFFAOYSA-N 0 0 322.452 3.202 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337229605 526692464 /nfs/dbraw/zinc/69/24/64/526692464.db2.gz VDNQZRJRQTVEMW-CVEARBPZSA-N 0 0 316.445 3.267 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338075053 526693836 /nfs/dbraw/zinc/69/38/36/526693836.db2.gz ZMTNVNWSZIRFNO-CYBMUJFWSA-N 0 0 322.474 3.124 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(c1nc(C(=O)OCC)cs1)C1CC1 ZINC000341481402 526694033 /nfs/dbraw/zinc/69/40/33/526694033.db2.gz IHXXGKYSGVIBSU-LLVKDONJSA-N 0 0 322.430 3.418 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCc2c(cccc2NC(C)=O)C1 ZINC000185241845 526696332 /nfs/dbraw/zinc/69/63/32/526696332.db2.gz CHSQUPGQSLQNMG-CYBMUJFWSA-N 0 0 300.402 3.132 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000185332352 526699270 /nfs/dbraw/zinc/69/92/70/526699270.db2.gz ZCGXQPANGOHBHI-CQSZACIVSA-N 0 0 300.402 3.032 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000185378179 526700025 /nfs/dbraw/zinc/70/00/25/526700025.db2.gz WTFHVOBVJOWKGM-CVEARBPZSA-N 0 0 316.445 3.240 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000412977492 526700055 /nfs/dbraw/zinc/70/00/55/526700055.db2.gz XMZYDOLKHHABTH-DNVCBOLYSA-N 0 0 317.429 3.226 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000373593581 526700986 /nfs/dbraw/zinc/70/09/86/526700986.db2.gz MMSPXQDHHQFCQT-LLVKDONJSA-N 0 0 303.337 3.094 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282956338 526701236 /nfs/dbraw/zinc/70/12/36/526701236.db2.gz UKAQBCDDPAYFIY-GDBMZVCRSA-N 0 0 315.417 3.011 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000341656079 526702089 /nfs/dbraw/zinc/70/20/89/526702089.db2.gz TXHCRWQXWKQVII-ZYHUDNBSSA-N 0 0 324.446 3.408 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090611751 526702098 /nfs/dbraw/zinc/70/20/98/526702098.db2.gz VBMQZFVCBRNGQK-HNNXBMFYSA-N 0 0 303.362 3.149 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC ZINC000421727143 526702295 /nfs/dbraw/zinc/70/22/95/526702295.db2.gz VEBACDNQCJKAMV-GFCCVEGCSA-N 0 0 317.389 3.097 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337403139 526702314 /nfs/dbraw/zinc/70/23/14/526702314.db2.gz IBCUYJRMHJVJMX-SJLPKXTDSA-N 0 0 324.424 3.308 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000185079479 526702457 /nfs/dbraw/zinc/70/24/57/526702457.db2.gz NUABHXIPALQFHP-CJNGLKHVSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000184981368 526703388 /nfs/dbraw/zinc/70/33/88/526703388.db2.gz XDJXUSRZJZPOQE-SNVBAGLBSA-N 0 0 317.357 3.224 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000185287201 526703504 /nfs/dbraw/zinc/70/35/04/526703504.db2.gz UJMRIBWCFUKIMI-LLVKDONJSA-N 0 0 304.781 3.462 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000184986204 526703989 /nfs/dbraw/zinc/70/39/89/526703989.db2.gz DSDRGBUIUZUIRR-CYBMUJFWSA-N 0 0 316.401 3.363 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000357592573 526704039 /nfs/dbraw/zinc/70/40/39/526704039.db2.gz APBWERKWFWDSLB-CYBMUJFWSA-N 0 0 303.406 3.393 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000185117239 526706320 /nfs/dbraw/zinc/70/63/20/526706320.db2.gz ALLNMCFMFUVMKC-HOTGVXAUSA-N 0 0 320.477 3.086 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000185067914 526707684 /nfs/dbraw/zinc/70/76/84/526707684.db2.gz QRWGJSBRJCHNPM-LSDHHAIUSA-N 0 0 312.417 3.038 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000344904257 526709399 /nfs/dbraw/zinc/70/93/99/526709399.db2.gz RFTRDBVSOHYOAJ-SOUVJXGZSA-N 0 0 308.466 3.083 10 30 DGEERN C#CCCCNC(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000174124717 526709276 /nfs/dbraw/zinc/70/92/76/526709276.db2.gz ZHLAYJYBVGYUBT-UHFFFAOYSA-N 0 0 314.429 3.073 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000185265606 526710723 /nfs/dbraw/zinc/71/07/23/526710723.db2.gz 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/nfs/dbraw/zinc/71/99/91/526719991.db2.gz OYXWLGNTTDVQJH-CQSZACIVSA-N 0 0 318.446 3.446 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)CC1CC1 ZINC000338851224 526729381 /nfs/dbraw/zinc/72/93/81/526729381.db2.gz SULPJCOZYQXVIB-UHFFFAOYSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173422211 526730683 /nfs/dbraw/zinc/73/06/83/526730683.db2.gz SFUYDSAELALCJN-AWEZNQCLSA-N 0 0 308.447 3.140 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2[C@H]1C ZINC000359116185 526739667 /nfs/dbraw/zinc/73/96/67/526739667.db2.gz OJEFPFNJNLOAFC-ZBFHGGJFSA-N 0 0 324.428 3.439 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@H](C)Cc1cccc(OC)c1)OCC ZINC000339375116 526750094 /nfs/dbraw/zinc/75/00/94/526750094.db2.gz XBQYPSATIFPMAF-RHSMWYFYSA-N 0 0 305.418 3.114 10 30 DGEERN C=C(C)[C@@H](NCc1nnnn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000360628065 526756473 /nfs/dbraw/zinc/75/64/73/526756473.db2.gz FHAHXZWXRFDEDL-OAHLLOKOSA-N 0 0 321.375 3.113 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c(F)cccc1SC 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305.393 3.201 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000437811500 526798241 /nfs/dbraw/zinc/79/82/41/526798241.db2.gz RKQFALHYICWGQN-KMFMINBZSA-N 0 0 320.408 3.476 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000437503304 526800246 /nfs/dbraw/zinc/80/02/46/526800246.db2.gz XBBRJRYCIANWLG-SJCJKPOMSA-N 0 0 316.376 3.326 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)OCC ZINC000339421955 526814763 /nfs/dbraw/zinc/81/47/63/526814763.db2.gz PKIBPZWULVMJOO-GUYCJALGSA-N 0 0 321.417 3.252 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC)OCC ZINC000339356033 526815127 /nfs/dbraw/zinc/81/51/27/526815127.db2.gz AEJTZXLNISYHNN-SCTDSRPQSA-N 0 0 317.429 3.213 10 30 DGEERN C=C(C)[C@H](Nc1nc(C(N)=O)cs1)c1ccc(F)c(F)c1 ZINC000432144268 526822042 /nfs/dbraw/zinc/82/20/42/526822042.db2.gz WVCVKLLTPYBENE-LBPRGKRZSA-N 0 0 309.341 3.250 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)Nc1c(C)onc1CC ZINC000152931499 526831427 /nfs/dbraw/zinc/83/14/27/526831427.db2.gz KTFJGXOZOLDYDY-UHFFFAOYSA-N 0 0 316.357 3.371 10 30 DGEERN C=CCOc1ccc(CN2CC[S@](=O)C(CC)(CC)C2)cc1 ZINC000347760405 526871937 /nfs/dbraw/zinc/87/19/37/526871937.db2.gz XYJVMNJFLQGCPC-QFIPXVFZSA-N 0 0 321.486 3.375 10 30 DGEERN C=C(CNC(=O)c1ccc(N(C)C(C)=O)cc1)c1ccccc1 ZINC000345730103 526878935 /nfs/dbraw/zinc/87/89/35/526878935.db2.gz PQLFWVGSKIHGMJ-UHFFFAOYSA-N 0 0 308.381 3.113 10 30 DGEERN C=C(CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccccc1 ZINC000345626002 526879814 /nfs/dbraw/zinc/87/98/14/526879814.db2.gz SHMHFTGQZOWCNO-UHFFFAOYSA-N 0 0 304.349 3.384 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2cccc3nccnc32)cc1 ZINC000359105049 526884661 /nfs/dbraw/zinc/88/46/61/526884661.db2.gz KYSKFEKRXPJMQC-UHFFFAOYSA-N 0 0 319.364 3.125 10 30 DGEERN C=C(Cl)CNC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000365474570 526889570 /nfs/dbraw/zinc/88/95/70/526889570.db2.gz PJMRWDVMEUTYAS-UHFFFAOYSA-N 0 0 308.744 3.100 10 30 DGEERN C=C1CCN(c2nnc(CCCc3cccs3)n2C)CC1 ZINC000337923851 526909477 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527023027 /nfs/dbraw/zinc/02/30/27/527023027.db2.gz RJSUEHUOMLOEPB-GDBMZVCRSA-N 0 0 302.418 3.376 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155586167 527030792 /nfs/dbraw/zinc/03/07/92/527030792.db2.gz UETCEDYUNAAVTD-AWEZNQCLSA-N 0 0 310.401 3.213 10 30 DGEERN C=CCC(F)(F)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000292827313 527033754 /nfs/dbraw/zinc/03/37/54/527033754.db2.gz QEHCIXFRRNTNJD-UHFFFAOYSA-N 0 0 305.328 3.042 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000337103398 527035888 /nfs/dbraw/zinc/03/58/88/527035888.db2.gz XYRZGDHYHBUFQZ-GFCCVEGCSA-N 0 0 310.191 3.103 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccc(OC)cc2)CCOCC1 ZINC000424530433 527039393 /nfs/dbraw/zinc/03/93/93/527039393.db2.gz HEYNYDACQSKBCB-UHFFFAOYSA-N 0 0 303.402 3.027 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](OCCC)CC2)CCOCC1 ZINC000424663988 527041513 /nfs/dbraw/zinc/04/15/13/527041513.db2.gz OAQKFZNRUOXRNP-MRXNPFEDSA-N 0 0 309.450 3.167 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000346917592 527046115 /nfs/dbraw/zinc/04/61/15/527046115.db2.gz ZMOWPISYNPAJKX-GFCCVEGCSA-N 0 0 306.797 3.142 10 30 DGEERN C=CCC1(C(=O)N2CCc3cc[nH]c(=O)c3C2)CCCCC1 ZINC000333445701 527048882 /nfs/dbraw/zinc/04/88/82/527048882.db2.gz QOJOEKUDKKUGLE-UHFFFAOYSA-N 0 0 300.402 3.199 10 30 DGEERN C=CCC1(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CCOCC1 ZINC000424858473 527050707 /nfs/dbraw/zinc/05/07/07/527050707.db2.gz BRPYUPPCXPXKBW-CVYDXHPNSA-N 0 0 301.430 3.030 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc(Cl)cn2)CCOCC1 ZINC000424806681 527058245 /nfs/dbraw/zinc/05/82/45/527058245.db2.gz RGKZMOZPEHNJBY-GFCCVEGCSA-N 0 0 308.809 3.285 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ncc(Br)cn2)CCC1 ZINC000356641964 527059675 /nfs/dbraw/zinc/05/96/75/527059675.db2.gz FPOIGCWAACXDSX-SNVBAGLBSA-N 0 0 324.222 3.163 10 30 DGEERN C=CCC1(C(=O)Nc2ccc3c(C)nn(C)c3c2)CCOCC1 ZINC000424837134 527060872 /nfs/dbraw/zinc/06/08/72/527060872.db2.gz UAHRAFIYMMLVQG-UHFFFAOYSA-N 0 0 313.401 3.193 10 30 DGEERN C=CCCC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282499653 527067861 /nfs/dbraw/zinc/06/78/61/527067861.db2.gz RUBBAFPDBJIDQH-UHFFFAOYSA-N 0 0 302.393 3.145 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000183733171 527092296 /nfs/dbraw/zinc/09/22/96/527092296.db2.gz HUMAIEBKEHZFHC-HOCLYGCPSA-N 0 0 320.433 3.019 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000183512879 527092911 /nfs/dbraw/zinc/09/29/11/527092911.db2.gz XPMGZWWAHGAYDO-UWVGGRQHSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC000183314885 527093168 /nfs/dbraw/zinc/09/31/68/527093168.db2.gz ZCYUENLRTVXQDF-JSGCOSHPSA-N 0 0 308.447 3.096 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191275476 527093899 /nfs/dbraw/zinc/09/38/99/527093899.db2.gz HWUADOKAEQXFIY-QMMMGPOBSA-N 0 0 319.188 3.061 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000346772685 527094025 /nfs/dbraw/zinc/09/40/25/527094025.db2.gz AJRPEVBPMRBPJT-GJZGRUSLSA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000183512896 527094336 /nfs/dbraw/zinc/09/43/36/527094336.db2.gz XPMGZWWAHGAYDO-ZJUUUORDSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000185791887 527094533 /nfs/dbraw/zinc/09/45/33/527094533.db2.gz RQYVSJKBRFCWRD-BBRMVZONSA-N 0 0 302.418 3.035 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000184465896 527095591 /nfs/dbraw/zinc/09/55/91/527095591.db2.gz VFIGNONFIWCEOU-LBPRGKRZSA-N 0 0 312.797 3.187 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCCCC)cc1C ZINC000184533909 527096114 /nfs/dbraw/zinc/09/61/14/527096114.db2.gz VFPUROZFAVLWBT-AWEZNQCLSA-N 0 0 306.406 3.232 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C ZINC000184300008 527097151 /nfs/dbraw/zinc/09/71/51/527097151.db2.gz MHDWRKMLRGBLEW-ZDUSSCGKSA-N 0 0 317.414 3.177 10 30 DGEERN C=CCCCC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000178584744 527105429 /nfs/dbraw/zinc/10/54/29/527105429.db2.gz AHDCAXGJDLJDQL-DLBZAZTESA-N 0 0 315.413 3.148 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)C1CCOCC1 ZINC000412812637 527111063 /nfs/dbraw/zinc/11/10/63/527111063.db2.gz FIHMZBIHUFCSJY-YJBOKZPZSA-N 0 0 301.430 3.353 10 30 DGEERN C=CC[C@@H]1N(C(=O)CNC(=O)c2ccsc2)CCCC1(C)C ZINC000444644322 527115365 /nfs/dbraw/zinc/11/53/65/527115365.db2.gz NCQWCGIAGMCABZ-AWEZNQCLSA-N 0 0 320.458 3.071 10 30 DGEERN C=CC[C@@H]1N(C(=O)N[C@@H](C)CCC(=O)OCC)CCCC1(C)C ZINC000445213878 527115891 /nfs/dbraw/zinc/11/58/91/527115891.db2.gz ANRIWNLCUFMCKV-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN C#CCOc1ccccc1NC(=O)CCCC[C@H](C)C(C)=O ZINC000187211053 527132695 /nfs/dbraw/zinc/13/26/95/527132695.db2.gz MCMXHHBJVDZPAC-AWEZNQCLSA-N 0 0 301.386 3.423 10 30 DGEERN C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000428373939 527140781 /nfs/dbraw/zinc/14/07/81/527140781.db2.gz MEQIYAVVQSHYNL-AHIWAGSCSA-N 0 0 321.417 3.108 10 30 DGEERN C=CCCCCNC(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000341448098 527158415 /nfs/dbraw/zinc/15/84/15/527158415.db2.gz DHWLJZRYVVACOQ-UHFFFAOYSA-N 0 0 312.417 3.087 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nn(CCC)c1C ZINC000287158445 527174095 /nfs/dbraw/zinc/17/40/95/527174095.db2.gz FLZNWAGERKJLMO-GOSISDBHSA-N 0 0 323.440 3.274 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000347401964 527187420 /nfs/dbraw/zinc/18/74/20/527187420.db2.gz FCGYWKYCJWILAS-UHFFFAOYSA-N 0 0 305.353 3.140 10 30 DGEERN C=CCCCN(C)C(=O)c1[nH]c(C)c(C(=O)OC)c1CCC ZINC000135652424 527188524 /nfs/dbraw/zinc/18/85/24/527188524.db2.gz UODBOJFXFYAVPU-UHFFFAOYSA-N 0 0 306.406 3.100 10 30 DGEERN C=CCCCN(C)C(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC000415214265 527189427 /nfs/dbraw/zinc/18/94/27/527189427.db2.gz FVOLGWCJRFVBRO-UHFFFAOYSA-N 0 0 311.307 3.391 10 30 DGEERN C=CCCCN(C)c1ccnc(C(=O)NCc2ccccc2)c1 ZINC000347055383 527194558 /nfs/dbraw/zinc/19/45/58/527194558.db2.gz SLISGCAUPIXYOW-UHFFFAOYSA-N 0 0 309.413 3.414 10 30 DGEERN C=CCCCN(C)c1nnc(C2CC2)n1C[C@H]1CCCCO1 ZINC000339135036 527195763 /nfs/dbraw/zinc/19/57/63/527195763.db2.gz GUXNFIQZBRKSRF-OAHLLOKOSA-N 0 0 304.438 3.127 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000350839201 527195837 /nfs/dbraw/zinc/19/58/37/527195837.db2.gz ZDLKPXZWTJBHTD-DAYGRLMNSA-N 0 0 316.445 3.150 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000432128461 527197835 /nfs/dbraw/zinc/19/78/35/527197835.db2.gz YBEMGLYQERBOJA-GOSISDBHSA-N 0 0 316.445 3.471 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000183733188 527200231 /nfs/dbraw/zinc/20/02/31/527200231.db2.gz HUMAIEBKEHZFHC-GDBMZVCRSA-N 0 0 320.433 3.019 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000283574548 527202692 /nfs/dbraw/zinc/20/26/92/527202692.db2.gz KANYDTJJYJSSHK-MRXNPFEDSA-N 0 0 317.433 3.126 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(SC)c(Cl)cc1Cl ZINC000185844908 527207026 /nfs/dbraw/zinc/20/70/26/527207026.db2.gz RMYRQLMDZWEUOS-MRVPVSSYSA-N 0 0 320.241 3.382 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000410074327 527207268 /nfs/dbraw/zinc/20/72/68/527207268.db2.gz WZJYNSGCQPNXTP-CQSZACIVSA-N 0 0 300.402 3.132 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000448378799 527210490 /nfs/dbraw/zinc/21/04/90/527210490.db2.gz ZRGKVERMWUOTOT-UHFFFAOYSA-N 0 0 324.380 3.500 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411483364 527210632 /nfs/dbraw/zinc/21/06/32/527210632.db2.gz NCZSGNPVYQNGLV-UHFFFAOYSA-N 0 0 323.462 3.024 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000413842981 527215981 /nfs/dbraw/zinc/21/59/81/527215981.db2.gz YYYIYIAFAVPHGZ-NXHRZFHOSA-N 0 0 316.445 3.240 10 30 DGEERN CC(=O)c1ccc(C#N)c(N[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000302085502 527226188 /nfs/dbraw/zinc/22/61/88/527226188.db2.gz DSEJMNIFSRNRPN-NSHDSACASA-N 0 0 310.401 3.154 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1nnnn1C(C)(C)C ZINC000438294161 527235225 /nfs/dbraw/zinc/23/52/25/527235225.db2.gz QVXSQFQHVZMGCC-UHFFFAOYSA-N 0 0 316.405 3.053 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000341353913 527259322 /nfs/dbraw/zinc/25/93/22/527259322.db2.gz IYTUQEDKPKMEOH-ZDUSSCGKSA-N 0 0 323.400 3.201 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(N)=O)cn1 ZINC000189877215 527259569 /nfs/dbraw/zinc/25/95/69/527259569.db2.gz ZKFABOWYHLLSFL-UHFFFAOYSA-N 0 0 323.396 3.285 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000342789227 527266163 /nfs/dbraw/zinc/26/61/63/527266163.db2.gz PFKOGAJDTQZPHJ-KGLIPLIRSA-N 0 0 319.453 3.110 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000360272547 527272465 /nfs/dbraw/zinc/27/24/65/527272465.db2.gz OBNFDCILIVSQLS-SNVBAGLBSA-N 0 0 322.352 3.124 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccc(OC)c1 ZINC000337915170 527278585 /nfs/dbraw/zinc/27/85/85/527278585.db2.gz SWRMSWQMAWYOTC-UHFFFAOYSA-N 0 0 324.384 3.369 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC000351175714 527280533 /nfs/dbraw/zinc/28/05/33/527280533.db2.gz YVNREDLUGJSPNA-KRWDZBQOSA-N 0 0 316.405 3.120 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2sccc2C1 ZINC000351174753 527281253 /nfs/dbraw/zinc/28/12/53/527281253.db2.gz YOKRDZFSTFTTEX-UHFFFAOYSA-N 0 0 312.398 3.348 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000433926818 527286880 /nfs/dbraw/zinc/28/68/80/527286880.db2.gz NKKKLHLPGGWEAA-RWMBFGLXSA-N 0 0 322.371 3.076 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1cc[nH]c(=O)c1Br ZINC000346456040 527295713 /nfs/dbraw/zinc/29/57/13/527295713.db2.gz KRLXMSHOEPIWPJ-VIFPVBQESA-N 0 0 313.195 3.024 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(C)Cc1ccc(F)cc1C ZINC000337811011 527305354 /nfs/dbraw/zinc/30/53/54/527305354.db2.gz KZAXTWIJTVFUGG-UHFFFAOYSA-N 0 0 300.381 3.425 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCc2cccc(F)c2C1 ZINC000351076153 527312416 /nfs/dbraw/zinc/31/24/16/527312416.db2.gz RPXCTDZPMMLMFF-UHFFFAOYSA-N 0 0 314.408 3.364 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000337835899 527313272 /nfs/dbraw/zinc/31/32/72/527313272.db2.gz CBJBPEOZBYKRAL-KBXCAEBGSA-N 0 0 300.450 3.433 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000350731041 527315954 /nfs/dbraw/zinc/31/59/54/527315954.db2.gz XXPHHEFBFYHMQG-JKSUJKDBSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CCC1CC1 ZINC000351074516 527319648 /nfs/dbraw/zinc/31/96/48/527319648.db2.gz NARDFMKKMDBVGM-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c(COCC)nnc1N(C)Cc1ccc(Cl)cc1 ZINC000337862929 527321053 /nfs/dbraw/zinc/32/10/53/527321053.db2.gz OFPLSCXAFSWQHA-UHFFFAOYSA-N 0 0 320.824 3.290 10 30 DGEERN C=CCn1c(COCC)nnc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000350665108 527323015 /nfs/dbraw/zinc/32/30/15/527323015.db2.gz AZJBHIJJGISLGP-PJPHBNEVSA-N 0 0 316.449 3.016 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC000351173251 527323030 /nfs/dbraw/zinc/32/30/30/527323030.db2.gz VZEHRKPKGAAVEU-CQSZACIVSA-N 0 0 316.405 3.244 10 30 DGEERN C=CCn1c(COCC)nnc1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000337824737 527324646 /nfs/dbraw/zinc/32/46/46/527324646.db2.gz VBWXECCLMGEBPC-YOEHRIQHSA-N 0 0 304.438 3.017 10 30 DGEERN C=CCCOCCCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000343078119 527335520 /nfs/dbraw/zinc/33/55/20/527335520.db2.gz LLJNFBACBLQDKL-UHFFFAOYSA-N 0 0 315.417 3.251 10 30 DGEERN C=CCn1c(SCC(=O)C2CC2)nnc1-c1ccc(F)cc1 ZINC000344721646 527335788 /nfs/dbraw/zinc/33/57/88/527335788.db2.gz JNIFEVNZNPAQOS-UHFFFAOYSA-N 0 0 317.389 3.341 10 30 DGEERN C=CCCOCCCCC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000342621847 527336028 /nfs/dbraw/zinc/33/60/28/527336028.db2.gz NMGQJXDGKHEWFT-INIZCTEOSA-N 0 0 304.365 3.270 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@@H]2OC)nnc1-c1cccnc1 ZINC000292535826 527345629 /nfs/dbraw/zinc/34/56/29/527345629.db2.gz APFQFKXXRMDFAX-UONOGXRCSA-N 0 0 316.430 3.186 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)CCC(F)(F)F ZINC000424118766 527360267 /nfs/dbraw/zinc/36/02/67/527360267.db2.gz CTBSEZWXLHMVIG-SNVBAGLBSA-N 0 0 320.384 3.421 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(=C)CC1 ZINC000337896339 527360919 /nfs/dbraw/zinc/36/09/19/527360919.db2.gz DKYSKMFKPJOACD-QGZVFWFLSA-N 0 0 322.412 3.297 10 30 DGEERN C=CCCOCCNC(=O)c1cccc(-c2cscn2)c1 ZINC000339854587 527365248 /nfs/dbraw/zinc/36/52/48/527365248.db2.gz WGBKCZIEKKVXTG-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173415801 527373212 /nfs/dbraw/zinc/37/32/12/527373212.db2.gz MWQJGRWIIXCBRV-UONOGXRCSA-N 0 0 308.447 3.139 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416040698 527373247 /nfs/dbraw/zinc/37/32/47/527373247.db2.gz BZRRBNNIVRWDCH-XJKSGUPXSA-N 0 0 323.383 3.480 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000342928395 527391420 /nfs/dbraw/zinc/39/14/20/527391420.db2.gz NLRKWAMQSMAMKJ-HIFRSBDPSA-N 0 0 317.385 3.060 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000353928548 527404260 /nfs/dbraw/zinc/40/42/60/527404260.db2.gz RYALBLBMZGQKOI-LLVKDONJSA-N 0 0 303.387 3.125 10 30 DGEERN C=CCCO[C@H](C)c1nc(CCn2cnc3ccccc32)no1 ZINC000355589824 527404978 /nfs/dbraw/zinc/40/49/78/527404978.db2.gz VCHQUXBKJNIKKE-CYBMUJFWSA-N 0 0 312.373 3.316 10 30 DGEERN C=C[C@@H](C)NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000360069263 527407956 /nfs/dbraw/zinc/40/79/56/527407956.db2.gz DDDLQBKOSCMTEC-DOMZBBRYSA-N 0 0 302.422 3.249 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC(n2cncn2)CC1)c1ccccc1 ZINC000188843609 527422513 /nfs/dbraw/zinc/42/25/13/527422513.db2.gz USYSAKKMDDUORV-GOSISDBHSA-N 0 0 324.428 3.192 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)c(C)c1 ZINC000417623474 527424285 /nfs/dbraw/zinc/42/42/85/527424285.db2.gz JADWOUYDTSODEG-LBPRGKRZSA-N 0 0 312.207 3.267 10 30 DGEERN C=CCC[C@@H](Nc1nn2c(nccc2=O)s1)c1ccccc1 ZINC000154592405 527452452 /nfs/dbraw/zinc/45/24/52/527452452.db2.gz KISKQRBTBFOLAI-CYBMUJFWSA-N 0 0 312.398 3.270 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000295869402 527461735 /nfs/dbraw/zinc/46/17/35/527461735.db2.gz FRBFAXQHPSZYLP-SWLSCSKDSA-N 0 0 309.331 3.400 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000365604512 527464151 /nfs/dbraw/zinc/46/41/51/527464151.db2.gz WBEYWPTXEDYDFA-FPOVZHCZSA-N 0 0 319.404 3.104 10 30 DGEERN C=CCC[C@H](NC(=O)NCC[C@@H](C)[S@](C)=O)c1ccccc1 ZINC000435108771 527478462 /nfs/dbraw/zinc/47/84/62/527478462.db2.gz OOIILDDMUJUDBW-RQVMVGKASA-N 0 0 322.474 3.150 10 30 DGEERN C=CCC[C@H](NC(=O)NCc1ncccc1O)c1ccccc1 ZINC000349642680 527479190 /nfs/dbraw/zinc/47/91/90/527479190.db2.gz CILCTYPNNOJCSP-HNNXBMFYSA-N 0 0 311.385 3.294 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CC ZINC000337141778 527509858 /nfs/dbraw/zinc/50/98/58/527509858.db2.gz SNMOZHIIRMBWMY-HNNXBMFYSA-N 0 0 318.442 3.055 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000135008548 527523353 /nfs/dbraw/zinc/52/33/53/527523353.db2.gz DYVJLFKAJLLIRE-KXBFYZLASA-N 0 0 316.445 3.240 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCCCC1 ZINC000182469735 527527813 /nfs/dbraw/zinc/52/78/13/527527813.db2.gz WCDVQAVQKNAZMU-ACCUITESSA-N 0 0 313.357 3.341 10 30 DGEERN C=C[C@@](C)(O)CC(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000356375885 527542816 /nfs/dbraw/zinc/54/28/16/527542816.db2.gz NRQQTLYCTXLITF-OGVSOVDVSA-N 0 0 311.784 3.111 10 30 DGEERN C=CCN(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000157946872 527565184 /nfs/dbraw/zinc/56/51/84/527565184.db2.gz IOXVNVVORWTHHW-LLVKDONJSA-N 0 0 308.250 3.396 10 30 DGEERN C=CCN(C)c1nnc([C@@H]2Cc3ccccc3O2)n1CC(=C)C ZINC000338859902 527578965 /nfs/dbraw/zinc/57/89/65/527578965.db2.gz CKUJJYFNRWEIIP-INIZCTEOSA-N 0 0 310.401 3.153 10 30 DGEERN C=CCN(C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC ZINC000338580967 527579215 /nfs/dbraw/zinc/57/92/15/527579215.db2.gz UWHBBHAUTPWCKK-HOTGVXAUSA-N 0 0 312.417 3.165 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Oc1ccccc1F ZINC000342004065 527587359 /nfs/dbraw/zinc/58/73/59/527587359.db2.gz DKZNFVUXGUPOGR-SNVBAGLBSA-N 0 0 305.271 3.170 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000346599770 527588428 /nfs/dbraw/zinc/58/84/28/527588428.db2.gz ANXJXQKONCZAFE-NSHDSACASA-N 0 0 315.339 3.353 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000341434856 527588447 /nfs/dbraw/zinc/58/84/47/527588447.db2.gz AWQYTWPXDFIVMK-UHFFFAOYSA-N 0 0 310.275 3.131 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000357894077 527611782 /nfs/dbraw/zinc/61/17/82/527611782.db2.gz FSCWBOWQOFSIDJ-YQVWRLOYSA-N 0 0 309.413 3.447 10 30 DGEERN C=CCN(CCC#N)C(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000359434502 527654386 /nfs/dbraw/zinc/65/43/86/527654386.db2.gz HMTGGBZPARJDDQ-INIZCTEOSA-N 0 0 312.413 3.433 10 30 DGEERN CCO[C@@H](CCNC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000181526193 527728199 /nfs/dbraw/zinc/72/81/99/527728199.db2.gz ZVDBAKSIALWHMX-KRWDZBQOSA-N 0 0 314.429 3.423 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000329595307 527808731 /nfs/dbraw/zinc/80/87/31/527808731.db2.gz 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/nfs/dbraw/zinc/21/39/29/528213929.db2.gz GDNCZXJYHMXWAJ-PQUAAJSLSA-N 0 0 300.402 3.233 10 30 DGEERN CCOC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1C ZINC000178679318 528263978 /nfs/dbraw/zinc/26/39/78/528263978.db2.gz OSJFGRGTJPTTIT-UHFFFAOYSA-N 0 0 308.337 3.296 10 30 DGEERN CCCCOCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181377390 528585650 /nfs/dbraw/zinc/58/56/50/528585650.db2.gz QBOMYOZKLJEEMK-UHFFFAOYSA-N 0 0 300.402 3.178 10 30 DGEERN CCC(C)(C)c1ccc(CNS(=O)(=O)CCCC#N)cc1 ZINC000158632364 528604608 /nfs/dbraw/zinc/60/46/08/528604608.db2.gz CRPNUFJNJYYPKL-UHFFFAOYSA-N 0 0 308.447 3.097 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113150452 528699686 /nfs/dbraw/zinc/69/96/86/528699686.db2.gz JXZZYSROIUYHBP-GFCCVEGCSA-N 0 0 315.348 3.031 10 30 DGEERN CCC1(CC)[C@H](NC(=O)NCC2CCC(C#N)CC2)C[C@H]1OC ZINC000440997629 529100329 /nfs/dbraw/zinc/10/03/29/529100329.db2.gz GLEFLKAQUAAMMP-QDIHITRGSA-N 0 0 321.465 3.209 10 30 DGEERN CCSCC[C@H](C)N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442741751 529189965 /nfs/dbraw/zinc/18/99/65/529189965.db2.gz WPBXGKBWOZAAEX-NFOMZHRRSA-N 0 0 311.495 3.489 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000182805789 546168087 /nfs/dbraw/zinc/16/80/87/546168087.db2.gz QRTBOALTTBUJTR-ONGXEEELSA-N 0 0 317.216 3.291 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000278353793 546370402 /nfs/dbraw/zinc/37/04/02/546370402.db2.gz XLLDFZGQUJDXMY-CHWSQXEVSA-N 0 0 310.191 3.369 10 30 DGEERN C[C@H]1CC(C(=O)Nc2ccc(-c3cncnc3)cn2)C[C@H](C)O1 ZINC000328766293 546481726 /nfs/dbraw/zinc/48/17/26/546481726.db2.gz FFNGIHMHUDKYNK-RYUDHWBXSA-N 0 0 312.373 3.330 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CCc2cccnc21 ZINC000329187560 546483315 /nfs/dbraw/zinc/48/33/15/546483315.db2.gz GWTCVYFYWXXVLU-SOLBZPMBSA-N 0 0 323.396 3.383 10 30 DGEERN C[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329280091 546484346 /nfs/dbraw/zinc/48/43/46/546484346.db2.gz MSCCZIWQFVAQEN-KGLIPLIRSA-N 0 0 318.465 3.141 10 30 DGEERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000329351592 546484739 /nfs/dbraw/zinc/48/47/39/546484739.db2.gz XGAOHMKTJJGUQE-PVAVHDDUSA-N 0 0 318.465 3.338 10 30 DGEERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000330055270 546494762 /nfs/dbraw/zinc/49/47/62/546494762.db2.gz UCCYCOPPZXUVMX-MJBXVCDLSA-N 0 0 319.449 3.267 10 30 DGEERN Cc1nnsc1CNC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000330270224 546497537 /nfs/dbraw/zinc/49/75/37/546497537.db2.gz TUIIMBNQVWUJTI-KGYLQXTDSA-N 0 0 310.467 3.311 10 30 DGEERN C=CCCCNC(=O)NC1(CCOCc2ccccc2)CC1 ZINC000448386232 546842527 /nfs/dbraw/zinc/84/25/27/546842527.db2.gz MAHCWARKRGKQMF-UHFFFAOYSA-N 0 0 302.418 3.391 10 30 DGEERN CC[NH+](CC)CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245710 549811257 /nfs/dbraw/zinc/81/12/57/549811257.db2.gz LJHJPADLKRYCFA-UHFFFAOYSA-N 0 0 306.207 3.019 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)Cc2csc(C)n2)c1 ZINC000730699593 574533999 /nfs/dbraw/zinc/53/39/99/574533999.db2.gz IBHLDLXVCYELCF-LBPRGKRZSA-N 0 0 315.394 3.310 10 30 DGEERN C#CCOc1ccccc1OC(=O)COc1ccccc1CC ZINC000730510459 574530693 /nfs/dbraw/zinc/53/06/93/574530693.db2.gz NHDFDBRLMRCHRM-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)C2(C)CCOCC2)c1 ZINC000730701537 574534384 /nfs/dbraw/zinc/53/43/84/574534384.db2.gz NNHVRISHXKDCAP-AWEZNQCLSA-N 0 0 302.370 3.120 10 30 DGEERN C#CCOc1cccc(NC(=O)c2ccc(NC(=O)C=C)cc2)c1 ZINC000730976388 574540686 /nfs/dbraw/zinc/54/06/86/574540686.db2.gz ZRQCVUFEEXMFGJ-UHFFFAOYSA-N 0 0 320.348 3.075 10 30 DGEERN O=C(C=Cc1ccc(O)cc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000731564948 574551810 /nfs/dbraw/zinc/55/18/10/574551810.db2.gz VUIPDEYAPISDBH-XVNBXDOJSA-N 0 0 309.243 3.408 10 30 DGEERN N#C[C@@H](NC(=O)C1=COCCC1)c1cccc(C(F)(F)F)c1 ZINC000731645453 574554368 /nfs/dbraw/zinc/55/43/68/574554368.db2.gz MPZNKKHBHCHYTN-CYBMUJFWSA-N 0 0 310.275 3.081 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=S)NCc1ccccc1 ZINC000741507747 574563513 /nfs/dbraw/zinc/56/35/13/574563513.db2.gz JMBDLNGIMLMIBY-UHFFFAOYSA-N 0 0 314.385 3.324 10 30 DGEERN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C#N)cn1 ZINC000731989307 574564642 /nfs/dbraw/zinc/56/46/42/574564642.db2.gz USKBULMKKPRHNO-UHFFFAOYSA-N 0 0 322.299 3.308 10 30 DGEERN C#Cc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000732030999 574564992 /nfs/dbraw/zinc/56/49/92/574564992.db2.gz WWXQBAPGTYKFDU-HNNXBMFYSA-N 0 0 310.784 3.346 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)/C=C/C2CCOCC2)c1 ZINC000732710136 574579776 /nfs/dbraw/zinc/57/97/76/574579776.db2.gz MHERZKRDHRZFJL-MVGZEHJDSA-N 0 0 314.381 3.286 10 30 DGEERN CN(CC1CC1)C(=O)CON=Cc1ccc(C(C)(C)C)cc1 ZINC000733192213 574607138 /nfs/dbraw/zinc/60/71/38/574607138.db2.gz DXPMSPJGHFNHPQ-UHFFFAOYSA-N 0 0 302.418 3.203 10 30 DGEERN C#CCOc1ccc(C(C)=NNCc2ccc(F)cc2F)cc1 ZINC000733204499 574607816 /nfs/dbraw/zinc/60/78/16/574607816.db2.gz RALIZEKBYOQGTN-UHFFFAOYSA-N 0 0 314.335 3.491 10 30 DGEERN C#CCCNC(=O)/C(=C/c1ccccc1OC)c1ccccc1 ZINC000733247549 574610074 /nfs/dbraw/zinc/61/00/74/574610074.db2.gz RKEVDVMAHXKZSG-OBGWFSINSA-N 0 0 305.377 3.375 10 30 DGEERN C#CCCNC(=O)Cc1cccc(OCc2cccc(C)c2)c1 ZINC000733248384 574610113 /nfs/dbraw/zinc/61/01/13/574610113.db2.gz ZMHPXSRESQEOCM-UHFFFAOYSA-N 0 0 307.393 3.256 10 30 DGEERN C#CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000733247521 574610142 /nfs/dbraw/zinc/61/01/42/574610142.db2.gz KRZQFPVGLKSGQN-UHFFFAOYSA-N 0 0 319.364 3.194 10 30 DGEERN C#CCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000733247286 574610164 /nfs/dbraw/zinc/61/01/64/574610164.db2.gz MJPKHHZANZGYHV-UHFFFAOYSA-N 0 0 302.226 3.366 10 30 DGEERN C#CCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000733287292 574612154 /nfs/dbraw/zinc/61/21/54/574612154.db2.gz AHNDIDNLZDPEHG-UHFFFAOYSA-N 0 0 302.377 3.443 10 30 DGEERN C#CCCNC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000733340217 574617402 /nfs/dbraw/zinc/61/74/02/574617402.db2.gz XLQWNNDLZLRRPS-HNNXBMFYSA-N 0 0 323.396 3.044 10 30 DGEERN C#CCCNC(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 ZINC000733356798 574617544 /nfs/dbraw/zinc/61/75/44/574617544.db2.gz OVMGELOZJBYLPW-LJQANCHMSA-N 0 0 322.408 3.497 10 30 DGEERN C#CCCNC(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000733619818 574631992 /nfs/dbraw/zinc/63/19/92/574631992.db2.gz FQBMDHLVRTYSLC-UHFFFAOYSA-N 0 0 302.374 3.161 10 30 DGEERN C#CCCNC(=O)Nc1ccc(OCCC)c(OCCC)c1 ZINC000733617940 574632641 /nfs/dbraw/zinc/63/26/41/574632641.db2.gz NRTROQLJHOHFOW-UHFFFAOYSA-N 0 0 304.390 3.409 10 30 DGEERN C=C(CSc1nccn1-c1cccc(C)c1)C(=O)OCC ZINC000733871482 574641032 /nfs/dbraw/zinc/64/10/32/574641032.db2.gz LCAGTHHMRSIIFK-UHFFFAOYSA-N 0 0 302.399 3.392 10 30 DGEERN C=C(COC(=O)C(C)(C)c1ccc(Cl)cc1)C(=O)OCC ZINC000734029386 574647451 /nfs/dbraw/zinc/64/74/51/574647451.db2.gz MUZYTYTXQDPSKI-UHFFFAOYSA-N 0 0 310.777 3.280 10 30 DGEERN C=C(COC(=O)c1ccc2nc(Cl)ccc2c1)C(=O)OCC ZINC000734026405 574647468 /nfs/dbraw/zinc/64/74/68/574647468.db2.gz DOMQZBXTBCNSEV-UHFFFAOYSA-N 0 0 319.744 3.164 10 30 DGEERN C=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)OCC ZINC000734025201 574648293 /nfs/dbraw/zinc/64/82/93/574648293.db2.gz GBPFOLYOCPVSBV-UHFFFAOYSA-N 0 0 318.300 3.362 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000734166863 574653709 /nfs/dbraw/zinc/65/37/09/574653709.db2.gz GUNYGQXFTUVVEI-QZTJIDSGSA-N 0 0 320.392 3.054 10 30 DGEERN N#CCOc1ccc(Cl)cc1COc1ccc(CO)cc1 ZINC000735230436 574692004 /nfs/dbraw/zinc/69/20/04/574692004.db2.gz BTFGYAMBUJFCCY-UHFFFAOYSA-N 0 0 303.745 3.314 10 30 DGEERN Cc1cc(CN(C)Cc2cc(Cl)ccc2OCC#N)no1 ZINC000735308572 574696542 /nfs/dbraw/zinc/69/65/42/574696542.db2.gz JPGPNDADGSQZKV-UHFFFAOYSA-N 0 0 305.765 3.171 10 30 DGEERN N#CCOc1ccc(Cl)cc1CON=C(N)C1CCCC1 ZINC000735302758 574695943 /nfs/dbraw/zinc/69/59/43/574695943.db2.gz FCLLAGFEZONEPH-UHFFFAOYSA-N 0 0 307.781 3.431 10 30 DGEERN CC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@@H](C)O1 ZINC000735310871 574697234 /nfs/dbraw/zinc/69/72/34/574697234.db2.gz FIJJGRVKHLAUHE-IUODEOHRSA-N 0 0 308.809 3.242 10 30 DGEERN CC(C)NC(=O)CSCc1cc(Cl)ccc1OCC#N ZINC000735319818 574697561 /nfs/dbraw/zinc/69/75/61/574697561.db2.gz DROQZKNXGBQEEA-UHFFFAOYSA-N 0 0 312.822 3.000 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1ccnc(F)c1 ZINC000735347712 574699186 /nfs/dbraw/zinc/69/91/86/574699186.db2.gz LSTJIHMMDVNCLM-UHFFFAOYSA-N 0 0 320.707 3.133 10 30 DGEERN Cc1ccc(N=NC(C)[C@@H]2CN(Cc3ccccc3)CCO2)nc1 ZINC000735613640 574708873 /nfs/dbraw/zinc/70/88/73/574708873.db2.gz FQCOJKNJQQVJBA-SFHVURJKSA-N 0 0 324.428 3.079 10 30 DGEERN C=C(Cl)COC(=O)[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000735950894 574722747 /nfs/dbraw/zinc/72/27/47/574722747.db2.gz GDDYUVFMOWBMTB-LBPRGKRZSA-N 0 0 308.683 3.209 10 30 DGEERN C=C(Cl)CNC(=O)/C=C/c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000736241865 574736819 /nfs/dbraw/zinc/73/68/19/574736819.db2.gz FIJMQZOAXNCBHF-BTDICHCPSA-N 0 0 321.804 3.291 10 30 DGEERN C=C(Cl)CNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000736238042 574737181 /nfs/dbraw/zinc/73/71/81/574737181.db2.gz DRQBBIVLPROGOS-UHFFFAOYSA-N 0 0 311.168 3.136 10 30 DGEERN C=CCCCN(C)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC000737568747 574850640 /nfs/dbraw/zinc/85/06/40/574850640.db2.gz PXUSDCBRAQHOPV-UHFFFAOYSA-N 0 0 312.454 3.495 10 30 DGEERN N#Cc1ccc(COC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cc1 ZINC000738822931 574883342 /nfs/dbraw/zinc/88/33/42/574883342.db2.gz PZVDJMASKBMHQA-UHFFFAOYSA-N 0 0 322.295 3.308 10 30 DGEERN CCCCCCCCCNC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000738964469 574887820 /nfs/dbraw/zinc/88/78/20/574887820.db2.gz WYUBCWJCOZXUIF-HNNXBMFYSA-N 0 0 312.454 3.332 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000739368120 574900958 /nfs/dbraw/zinc/90/09/58/574900958.db2.gz RYGOBGGCXCQEIL-OWCLPIDISA-N 0 0 302.370 3.222 10 30 DGEERN C#CCCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1 ZINC000741154064 574952188 /nfs/dbraw/zinc/95/21/88/574952188.db2.gz BKPVWOQEAVUSJP-UHFFFAOYSA-N 0 0 308.410 3.206 10 30 DGEERN C=CCOc1ccccc1CN=Nc1cc(Cl)nc(C)n1 ZINC000741764102 574969323 /nfs/dbraw/zinc/96/93/23/574969323.db2.gz UDLKZPNYONAVRG-UHFFFAOYSA-N 0 0 302.765 3.449 10 30 DGEERN C/C(=C\C(=O)NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000741970949 574978359 /nfs/dbraw/zinc/97/83/59/574978359.db2.gz BHDUHRDUIVJNRK-WYMLVPIESA-N 0 0 324.355 3.296 10 30 DGEERN Cn1ccnc1C[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1 ZINC000743044465 575033139 /nfs/dbraw/zinc/03/31/39/575033139.db2.gz KCNPSPOCAGIVHU-WMRWHDLOSA-N 0 0 321.380 3.234 10 30 DGEERN C#Cc1ccc(C(=O)OCc2cc(F)cc3cccnc32)cn1 ZINC000729031446 575211086 /nfs/dbraw/zinc/21/10/86/575211086.db2.gz IPPPXLBDJZKSFG-UHFFFAOYSA-N 0 0 306.296 3.107 10 30 DGEERN C=CCOc1ccc(/C=C\C(=O)OC[C@@H]2C[C@@H]2C)cc1OC ZINC000729092253 575216794 /nfs/dbraw/zinc/21/67/94/575216794.db2.gz NDCIIMDIKPDSAC-HAANDJBQSA-N 0 0 302.370 3.472 10 30 DGEERN CC(CSC(C)(C)C)N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000729637125 575257859 /nfs/dbraw/zinc/25/78/59/575257859.db2.gz HJVQLXTWJOPCAM-UHFFFAOYSA-N 0 0 314.476 3.410 10 30 DGEERN CN(C)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000729876875 575264784 /nfs/dbraw/zinc/26/47/84/575264784.db2.gz XBIXXNWBYVWBIN-UHFFFAOYSA-N 0 0 312.348 3.085 10 30 DGEERN C=CCOCC(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000729895157 575265906 /nfs/dbraw/zinc/26/59/06/575265906.db2.gz GTNNVRXRGNDGJY-UHFFFAOYSA-N 0 0 313.309 3.370 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CCCOCC(F)(F)F ZINC000126639144 575842778 /nfs/dbraw/zinc/84/27/78/575842778.db2.gz QSTISXBTDQZFSW-UHFFFAOYSA-N 0 0 324.306 3.094 10 30 DGEERN C(=Nn1cnnc1-c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000725855579 575933915 /nfs/dbraw/zinc/93/39/15/575933915.db2.gz BNPWVHPDWYUDON-UHFFFAOYSA-N 0 0 314.352 3.013 10 30 DGEERN C=CCOC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000727039840 576097037 /nfs/dbraw/zinc/09/70/37/576097037.db2.gz ODMWPOWTPDXPJI-UHFFFAOYSA-N 0 0 308.337 3.256 10 30 DGEERN C#Cc1cccc(NC(=S)N[C@@H](COC)c2ccccc2)c1 ZINC000727088351 576106486 /nfs/dbraw/zinc/10/64/86/576106486.db2.gz FNDVUJFVRFTBQC-KRWDZBQOSA-N 0 0 310.422 3.342 10 30 DGEERN Cc1ccc(NN=Cc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000727259870 576116127 /nfs/dbraw/zinc/11/61/27/576116127.db2.gz NVNWIGQUUUYXTQ-UHFFFAOYSA-N 0 0 322.271 3.346 10 30 DGEERN Cc1ccc(NN=Cc2ccc(O)c(Br)c2)nc1 ZINC000727259666 576116230 /nfs/dbraw/zinc/11/62/30/576116230.db2.gz KDACPZCPKNTSBY-UHFFFAOYSA-N 0 0 306.163 3.304 10 30 DGEERN CC(N=Nc1ccc(Br)cn1)c1cc(O)ccc1O ZINC000727265867 576116252 /nfs/dbraw/zinc/11/62/52/576116252.db2.gz ARGDDGYCHPAACU-UHFFFAOYSA-N 0 0 322.162 3.091 10 30 DGEERN CC(=[NH+][N-]c1ccc(C)cn1)c1ccc(N2CCOCC2)cc1 ZINC000727260539 576116671 /nfs/dbraw/zinc/11/66/71/576116671.db2.gz XVQHXUHJDAEQDF-UHFFFAOYSA-N 0 0 310.401 3.063 10 30 DGEERN CC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)c1 ZINC000728242299 576171801 /nfs/dbraw/zinc/17/18/01/576171801.db2.gz FMPSPZLHTFPTDK-CQSZACIVSA-N 0 0 323.348 3.442 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)c2cc(-c3ccoc3)[nH]n2)c1 ZINC000728536827 576187527 /nfs/dbraw/zinc/18/75/27/576187527.db2.gz FRLORDUTRBACQN-UHFFFAOYSA-N 0 0 305.337 3.318 10 30 DGEERN C#Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)nc1 ZINC000728799714 576205454 /nfs/dbraw/zinc/20/54/54/576205454.db2.gz DIUVSIANBYLADS-UHFFFAOYSA-N 0 0 305.164 3.300 10 30 DGEERN C#Cc1ccc(C(=O)Nc2nc3ccc(CC)cc3s2)nc1 ZINC000728801004 576205772 /nfs/dbraw/zinc/20/57/72/576205772.db2.gz KXKRYTBIQZCRSX-UHFFFAOYSA-N 0 0 307.378 3.487 10 30 DGEERN C#Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cn1 ZINC000728803858 576206315 /nfs/dbraw/zinc/20/63/15/576206315.db2.gz DOWILRCEJUGRAX-SFHVURJKSA-N 0 0 302.333 3.175 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)cn1 ZINC000728811151 576208163 /nfs/dbraw/zinc/20/81/63/576208163.db2.gz QEVHOLNYBYPXLC-LLVKDONJSA-N 0 0 300.308 3.174 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)nc1 ZINC000728824892 576210505 /nfs/dbraw/zinc/21/05/05/576210505.db2.gz UGINGLKUFRGHID-HNNXBMFYSA-N 0 0 318.298 3.439 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000154520928 620684068 /nfs/dbraw/zinc/68/40/68/620684068.db2.gz DSKXOOUOAQRLGK-SNVBAGLBSA-N 0 0 316.279 3.118 10 30 DGEERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(C#N)cc1C ZINC000127966642 618005000 /nfs/dbraw/zinc/00/50/00/618005000.db2.gz ALSNEDOYHNZIEP-LJQANCHMSA-N 0 0 322.408 3.371 10 30 DGEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccccc2C(C)(C)C#N)C1 ZINC000888079304 618017027 /nfs/dbraw/zinc/01/70/27/618017027.db2.gz VGXZPUZEEJSDEU-NVXWUHKLSA-N 0 0 324.428 3.173 10 30 DGEERN C=C[C@H](C)NC(=O)/C=C/c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000154131308 618025840 /nfs/dbraw/zinc/02/58/40/618025840.db2.gz ZGBDZENWODTDCT-AHYBDNRGSA-N 0 0 301.386 3.113 10 30 DGEERN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccccc1 ZINC000112148787 620794162 /nfs/dbraw/zinc/79/41/62/620794162.db2.gz NNVJDUGBWDSZJX-NVXWUHKLSA-N 0 0 314.429 3.271 10 30 DGEERN C=C[C@@H](C)NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000133631511 618531235 /nfs/dbraw/zinc/53/12/35/618531235.db2.gz COUQUCFPRYZXRV-GFCCVEGCSA-N 0 0 316.401 3.289 10 30 DGEERN C=CCC(CC=C)C(=O)O[C@H](CNC(C)=O)c1ccccc1 ZINC000151686437 618845267 /nfs/dbraw/zinc/84/52/67/618845267.db2.gz WROUKOLKFOGXPV-QGZVFWFLSA-N 0 0 301.386 3.175 10 30 DGEERN C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C1CCOCC1 ZINC000151453832 620448897 /nfs/dbraw/zinc/44/88/97/620448897.db2.gz OYQMKDFKGGDMPV-CYBMUJFWSA-N 0 0 319.426 3.150 10 30 DGEERN C#C[C@H](OC(=O)c1cc(Cl)c(OCC)c(OC)c1)C1CC1 ZINC000152735721 620520121 /nfs/dbraw/zinc/52/01/21/620520121.db2.gz UWCCKVDYHPJPBO-ZDUSSCGKSA-N 0 0 308.761 3.316 10 30 DGEERN C#C[C@H](OC(=O)COc1ccc(/C=C/C)cc1OC)C1CC1 ZINC000152735153 620520194 /nfs/dbraw/zinc/52/01/94/620520194.db2.gz HTPOKYZNNKUWPE-DRDHIDPGSA-N 0 0 300.354 3.062 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1c(CC)noc1CC)c1ccccn1 ZINC000153031634 620531406 /nfs/dbraw/zinc/53/14/06/620531406.db2.gz JSFRKMAQLGKVPD-QGZVFWFLSA-N 0 0 312.369 3.045 10 30 DGEERN CCc1nc(CC(=O)OC[C@H](C#N)Cc2cccs2)cs1 ZINC000153350346 620553371 /nfs/dbraw/zinc/55/33/71/620553371.db2.gz LBIVHDKCXKEMNJ-NSHDSACASA-N 0 0 320.439 3.235 10 30 DGEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000153626874 620587560 /nfs/dbraw/zinc/58/75/60/620587560.db2.gz SFRQXARUBMPDTR-VIFPVBQESA-N 0 0 302.852 3.128 10 30 DGEERN C#CCSCCNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000153626992 620587602 /nfs/dbraw/zinc/58/76/02/620587602.db2.gz SFRQXARUBMPDTR-SECBINFHSA-N 0 0 302.852 3.128 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 ZINC000103031589 621224236 /nfs/dbraw/zinc/22/42/36/621224236.db2.gz OIDIZMSDAXZSJS-CQSZACIVSA-N 0 0 309.365 3.107 10 30 DGEERN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C#N ZINC000120194408 621801885 /nfs/dbraw/zinc/80/18/85/621801885.db2.gz SYSKXKLYJTVVEJ-SECBINFHSA-N 0 0 301.264 3.318 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cnn(C)c1C ZINC000120638677 621952380 /nfs/dbraw/zinc/95/23/80/621952380.db2.gz UISOIXMBQCBSBE-UHFFFAOYSA-N 0 0 300.358 3.075 10 30 DGEERN C#CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000122346998 622298841 /nfs/dbraw/zinc/29/88/41/622298841.db2.gz GGXUHKLHBDSDDG-UHFFFAOYSA-N 0 0 323.440 3.150 10 30 DGEERN COc1ccc(/C=C/C(=O)c2ccc(F)c(OC)c2)cc1O ZINC000122552103 622347005 /nfs/dbraw/zinc/34/70/05/622347005.db2.gz SRFSBODZIORQIC-XVNBXDOJSA-N 0 0 302.301 3.445 10 30 DGEERN C=CCCOCCNC(=O)Nc1ccnn1C1CCCCC1 ZINC000122579319 622355244 /nfs/dbraw/zinc/35/52/44/622355244.db2.gz RKWBJLIWOKLKCP-UHFFFAOYSA-N 0 0 306.410 3.103 10 30 DGEERN C#CCN(C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C)C1CCCC1 ZINC000123916803 622750299 /nfs/dbraw/zinc/75/02/99/622750299.db2.gz VIHQHIABPGFREP-DOTOQJQBSA-N 0 0 306.450 3.025 10 30 DGEERN CCc1cc2oc(=O)cc(Cn3ccnc3C#N)c2cc1Cl ZINC000123929137 622782230 /nfs/dbraw/zinc/78/22/30/622782230.db2.gz LIDLZDYTYMDCLB-UHFFFAOYSA-N 0 0 313.744 3.125 10 30 DGEERN COc1ccc(OC(=O)c2ccc(C#N)cc2C)c([N+](=O)[O-])c1 ZINC000129461781 625643148 /nfs/dbraw/zinc/64/31/48/625643148.db2.gz UPFCRRASINPQNB-UHFFFAOYSA-N 0 0 312.281 3.003 10 30 DGEERN COc1cccc(C#CCOC(=O)c2ccc(F)c(OC)c2)c1 ZINC000125322239 623427870 /nfs/dbraw/zinc/42/78/70/623427870.db2.gz XNJKQDNORQFLOC-UHFFFAOYSA-N 0 0 314.312 3.051 10 30 DGEERN COc1ccc2nc(C(=O)OCc3ccc(C#N)cc3)ccc2c1 ZINC000125533082 623479495 /nfs/dbraw/zinc/47/94/95/623479495.db2.gz QMWASKBLIPIFDE-UHFFFAOYSA-N 0 0 318.332 3.472 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125733365 623537582 /nfs/dbraw/zinc/53/75/82/623537582.db2.gz MSQDWDVCUVONAF-AWEZNQCLSA-N 0 0 324.380 3.149 10 30 DGEERN C=CCOCCCC(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000125789700 623552351 /nfs/dbraw/zinc/55/23/51/623552351.db2.gz ZYJHFJDBDZIAHB-INIZCTEOSA-N 0 0 304.390 3.234 10 30 DGEERN C[C@H](OC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000125967121 623624984 /nfs/dbraw/zinc/62/49/84/623624984.db2.gz DSIVLQPWOCPSJZ-QWHCGFSZSA-N 0 0 324.421 3.115 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)O[C@@H](C#N)C(C)(C)C)C1 ZINC000126389740 623817801 /nfs/dbraw/zinc/81/78/01/623817801.db2.gz AKJLDAJHZZIZKS-OLZOCXBDSA-N 0 0 324.421 3.115 10 30 DGEERN O=C1c2cc3c(cc2OC/C1=C/c1cccc(F)c1F)OCO3 ZINC000209918786 624467971 /nfs/dbraw/zinc/46/79/71/624467971.db2.gz OAPFMUNANDMSSD-WMZJFQQLSA-N 0 0 316.259 3.352 10 30 DGEERN C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(C)(C)C#N ZINC000130400824 625847638 /nfs/dbraw/zinc/84/76/38/625847638.db2.gz VCKRCGZLAQCDII-IACUBPJLSA-N 0 0 315.369 3.043 10 30 DGEERN C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C(C)(C)C#N ZINC000130513617 625865362 /nfs/dbraw/zinc/86/53/62/625865362.db2.gz YORXFXPDSWTXAK-VIFPVBQESA-N 0 0 316.279 3.118 10 30 DGEERN C[C@H](OC(=O)c1ccn(-c2c(F)cccc2F)n1)C(C)(C)C#N ZINC000130744719 625897389 /nfs/dbraw/zinc/89/73/89/625897389.db2.gz MCYLIPGCPAQDQG-JTQLQIEISA-N 0 0 319.311 3.246 10 30 DGEERN CC(=O)[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000213887908 625899843 /nfs/dbraw/zinc/89/98/43/625899843.db2.gz LCWOVEWWWCNBMX-GFCCVEGCSA-N 0 0 307.191 3.126 10 30 DGEERN C[C@@H](OC(=O)c1cc(N2CCCC2=O)ccc1F)C(C)(C)C#N ZINC000130761326 625901093 /nfs/dbraw/zinc/90/10/93/625901093.db2.gz YIBJLAJXXZVJOA-LLVKDONJSA-N 0 0 318.348 3.048 10 30 DGEERN CCO[C@H]1C[C@@H](OC(=O)CCc2ccc(C#N)cc2)C12CCC2 ZINC000130828178 625907720 /nfs/dbraw/zinc/90/77/20/625907720.db2.gz ZWMGDOSAJUGTQK-DLBZAZTESA-N 0 0 313.397 3.382 10 30 DGEERN CCO[C@@H]1C[C@H](OC(=O)CCc2ccc(C#N)cc2)C12CCC2 ZINC000130827540 625908330 /nfs/dbraw/zinc/90/83/30/625908330.db2.gz ZWMGDOSAJUGTQK-SJORKVTESA-N 0 0 313.397 3.382 10 30 DGEERN C[C@H](OC(=O)c1ccnc(OCC(F)(F)F)c1)C(C)(C)C#N ZINC000131121412 625947075 /nfs/dbraw/zinc/94/70/75/625947075.db2.gz ZCMSZOAFBPZVFE-VIFPVBQESA-N 0 0 316.279 3.118 10 30 DGEERN C=C(Br)CNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000132639983 626731022 /nfs/dbraw/zinc/73/10/22/626731022.db2.gz SGWFLWJAZUBWQX-UHFFFAOYSA-N 0 0 307.191 3.423 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000133076404 626763379 /nfs/dbraw/zinc/76/33/79/626763379.db2.gz KJHDOHADHBDWMS-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccn1 ZINC000105549572 630736238 /nfs/dbraw/zinc/73/62/38/630736238.db2.gz AJSRKWVVWTVLGA-KDOFPFPSSA-N 0 0 320.348 3.028 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CC[C@@H]1CCCO1 ZINC000107059930 631517614 /nfs/dbraw/zinc/51/76/14/631517614.db2.gz WEEPBSFYWTZDJI-GJZGRUSLSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000107190624 631559291 /nfs/dbraw/zinc/55/92/91/631559291.db2.gz HWKXGUIMBGKYGY-SJORKVTESA-N 0 0 322.360 3.416 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCc1ccccc1OC ZINC000107190777 631559732 /nfs/dbraw/zinc/55/97/32/631559732.db2.gz IZDRDQNHZAAZFA-UHFFFAOYSA-N 0 0 310.349 3.245 10 30 DGEERN Cc1cccnc1/C=C/C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000185302565 660213877 /nfs/dbraw/zinc/21/38/77/660213877.db2.gz JGGZPFQEOMUKPY-FVNWOWOISA-N 0 0 306.365 3.329 10 30 DGEERN C#CCC(C)(C)COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000185358635 660218490 /nfs/dbraw/zinc/21/84/90/660218490.db2.gz VAYVEGSXQDKCQG-UHFFFAOYSA-N 0 0 307.371 3.280 10 30 DGEERN CC(C)(C)Oc1cccc(CCC(=O)OCC(C)(C)C#N)n1 ZINC000180142791 659953637 /nfs/dbraw/zinc/95/36/37/659953637.db2.gz WDFZOTGNZDYWRI-UHFFFAOYSA-N 0 0 304.390 3.284 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(OC)cc1)C(C)C ZINC000183023573 660099522 /nfs/dbraw/zinc/09/95/22/660099522.db2.gz JPXPODBSGBNSPZ-KRWDZBQOSA-N 0 0 302.370 3.249 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccn1 ZINC000073294396 660261257 /nfs/dbraw/zinc/26/12/57/660261257.db2.gz VGJKOCBOYJBEMW-CRAIPNDOSA-N 0 0 309.365 3.465 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000131312405 660303193 /nfs/dbraw/zinc/30/31/93/660303193.db2.gz QCSZFWQXUGTHLW-ONGXEEELSA-N 0 0 314.168 3.063 10 30 DGEERN C=C[C@H](CC(=O)O[C@H]1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000186157672 660321390 /nfs/dbraw/zinc/32/13/90/660321390.db2.gz YRZWNUMSHOJNGZ-HHXXYDBFSA-N 0 0 316.397 3.228 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000163876481 660602051 /nfs/dbraw/zinc/60/20/51/660602051.db2.gz YWJPIFDJOBNCPW-UHFFFAOYSA-N 0 0 311.360 3.002 10 30 DGEERN C#C[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000700594637 660630209 /nfs/dbraw/zinc/63/02/09/660630209.db2.gz BLPWAVYXMKLZBZ-MWLCHTKSSA-N 0 0 300.185 3.289 10 30 DGEERN C#CCCCS(=O)(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000710090784 660932054 /nfs/dbraw/zinc/93/20/54/660932054.db2.gz PHMXMOYBRSUNJD-JTQLQIEISA-N 0 0 320.241 3.387 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000187155161 660961578 /nfs/dbraw/zinc/96/15/78/660961578.db2.gz GXOMEJPVXHVERL-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000049457450 655523984 /nfs/dbraw/zinc/52/39/84/655523984.db2.gz QYTPMRIRXQSBBG-ZDUSSCGKSA-N 0 0 320.270 3.399 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc(OC)c(OC)cc1C ZINC000187534589 655550864 /nfs/dbraw/zinc/55/08/64/655550864.db2.gz OGOSWMHEXPVKAX-GOSISDBHSA-N 0 0 322.401 3.398 10 30 DGEERN C=C[C@H](C)OC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000187541566 655551173 /nfs/dbraw/zinc/55/11/73/655551173.db2.gz KRHFRMJCEOURCZ-NSHDSACASA-N 0 0 304.321 3.316 10 30 DGEERN C=C[C@H](C)OC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000187636257 655554191 /nfs/dbraw/zinc/55/41/91/655554191.db2.gz MGACDJONJDJOCA-NSHDSACASA-N 0 0 316.353 3.160 10 30 DGEERN Cc1cc(C)c(C#N)c(N2CCS[C@@H](C(F)(F)F)C2)n1 ZINC000721425482 655585743 /nfs/dbraw/zinc/58/57/43/655585743.db2.gz WUXAIWCMPXKASI-LLVKDONJSA-N 0 0 301.337 3.054 10 30 DGEERN N#Cc1ccc(CN2CCS[C@H](C(F)(F)F)C2)c(F)c1 ZINC000721432897 655588297 /nfs/dbraw/zinc/58/82/97/655588297.db2.gz BLAKAHXVRHRTER-LBPRGKRZSA-N 0 0 304.312 3.177 10 30 DGEERN C=C[C@H](C)OC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000187635384 655636898 /nfs/dbraw/zinc/63/68/98/655636898.db2.gz GCYZKHDWQYJEHX-NSHDSACASA-N 0 0 308.399 3.486 10 30 DGEERN C=C[C@H](C)OC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000187576460 655663225 /nfs/dbraw/zinc/66/32/25/655663225.db2.gz QAUBKDCPKRSSJY-KBXCAEBGSA-N 0 0 301.386 3.047 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000187954613 655698776 /nfs/dbraw/zinc/69/87/76/655698776.db2.gz GJQGLASPKKIUPT-QGZVFWFLSA-N 0 0 311.385 3.397 10 30 DGEERN N#CC(C(=O)NC1CCCC1)=C(O)C=Cc1ccccc1Cl ZINC000255329519 655701305 /nfs/dbraw/zinc/70/13/05/655701305.db2.gz OVHCJYZOXNMRJJ-CMUBDUJZSA-N 0 0 316.788 3.121 10 30 DGEERN Cc1ccc(C(=O)/C=C\c2cnc(N3CCOCC3)s2)cc1 ZINC000255358042 655705498 /nfs/dbraw/zinc/70/54/98/655705498.db2.gz 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311.410 3.038 10 30 DGEERN CO[C@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000714716275 661202282 /nfs/dbraw/zinc/20/22/82/661202282.db2.gz ZZENEDVGXHRKPP-CZMCAQCFSA-N 0 0 313.170 3.297 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(C)C ZINC000177736592 655944228 /nfs/dbraw/zinc/94/42/28/655944228.db2.gz KJAYRRCGGLHULB-KRWDZBQOSA-N 0 0 313.397 3.014 10 30 DGEERN C#CC[C@H](OC(=O)c1cc(N2CCCC2=O)ccc1F)C(C)C ZINC000177735627 655944237 /nfs/dbraw/zinc/94/42/37/655944237.db2.gz UQOHASFBDKDQGY-INIZCTEOSA-N 0 0 317.360 3.157 10 30 DGEERN COCCC1(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)CCC1 ZINC000177878583 655948921 /nfs/dbraw/zinc/94/89/21/655948921.db2.gz BBOOVSAQFOPQNG-OAHLLOKOSA-N 0 0 319.376 3.258 10 30 DGEERN C=C(Br)CNCc1ncc(C(F)(F)F)s1 ZINC000308862952 656075972 /nfs/dbraw/zinc/07/59/72/656075972.db2.gz CIMLWOKYALDKEP-UHFFFAOYSA-N 0 0 301.131 3.160 10 30 DGEERN CSCCCCNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000184305566 656118090 /nfs/dbraw/zinc/11/80/90/656118090.db2.gz LNGLGAVOGVNMHK-GFCCVEGCSA-N 0 0 307.419 3.242 10 30 DGEERN CC(C)(CC#N)COC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000184502363 656119658 /nfs/dbraw/zinc/11/96/58/656119658.db2.gz MNWOLZSBXUKWSV-UHFFFAOYSA-N 0 0 301.321 3.312 10 30 DGEERN C[C@@H](Cc1ccc(Br)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000162409958 656142825 /nfs/dbraw/zinc/14/28/25/656142825.db2.gz KUKDMWOZZYQOSW-HZMBPMFUSA-N 0 0 322.202 3.473 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000192431329 656178143 /nfs/dbraw/zinc/17/81/43/656178143.db2.gz ACTJCZYXFAEIII-OAHLLOKOSA-N 0 0 319.376 3.447 10 30 DGEERN N#C[C@H](COC(=O)[C@H]1CC1(Cl)Cl)Cc1ccc(F)cc1 ZINC000123783169 656183296 /nfs/dbraw/zinc/18/32/96/656183296.db2.gz YPBSBQVETHKHHP-ZYHUDNBSSA-N 0 0 316.159 3.245 10 30 DGEERN COCc1ccc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)o1 ZINC000123777806 656183304 /nfs/dbraw/zinc/18/33/04/656183304.db2.gz ZDYDJWUWAUCKCH-CYBMUJFWSA-N 0 0 317.316 3.104 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000195047327 656208035 /nfs/dbraw/zinc/20/80/35/656208035.db2.gz 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/nfs/dbraw/zinc/37/42/64/657374264.db2.gz XYMXMNWNWLBXAT-ZWKOTPCHSA-N 0 0 324.392 3.459 10 30 DGEERN C=CCc1cc(C(=O)OC[C@H]2C[C@H]2OCC)cc(OC)c1OC ZINC000193127264 657381904 /nfs/dbraw/zinc/38/19/04/657381904.db2.gz MCISCTYMZYYRTM-HUUCEWRRSA-N 0 0 320.385 3.014 10 30 DGEERN CC#CCCCCOC(=O)Cc1csc(-c2cccnc2)n1 ZINC000183965185 657383547 /nfs/dbraw/zinc/38/35/47/657383547.db2.gz XJUIJBMAJGWJCW-UHFFFAOYSA-N 0 0 314.410 3.484 10 30 DGEERN C=CCn1c(C)nn(CN(C)Cc2ccc(Cl)nc2)c1=S ZINC000079032717 657448648 /nfs/dbraw/zinc/44/86/48/657448648.db2.gz WFGQNUCQMCZXJS-UHFFFAOYSA-N 0 0 323.853 3.046 10 30 DGEERN COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cccc(OC)c1)O2 ZINC000096551629 657533960 /nfs/dbraw/zinc/53/39/60/657533960.db2.gz UJFDZVAYBDIVRZ-CXUHLZMHSA-N 0 0 310.305 3.098 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000191141031 657863864 /nfs/dbraw/zinc/86/38/64/657863864.db2.gz KZCUVPVOYZUMNC-SFHVURJKSA-N 0 0 320.385 3.493 10 30 DGEERN C#CC[C@H](OC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 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O=C(OCC#Cc1ccccc1)c1csc([C@@H]2CCCO2)n1 ZINC000165737065 659002866 /nfs/dbraw/zinc/00/28/66/659002866.db2.gz JVWYGQNWBHQHQK-HNNXBMFYSA-N 0 0 313.378 3.203 10 30 DGEERN C=CCn1c(C)nn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S ZINC000171895044 659305064 /nfs/dbraw/zinc/30/50/64/659305064.db2.gz GLJSYCBAYWPQTL-LLVKDONJSA-N 0 0 320.384 3.140 10 30 DGEERN CSCCCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172349216 659331231 /nfs/dbraw/zinc/33/12/31/659331231.db2.gz TZZAWXJOOJYCII-LBPRGKRZSA-N 0 0 310.806 3.131 10 30 DGEERN O=C(/C=C/c1c(Cl)nc2sccn12)c1cncc(F)c1 ZINC000172375774 659333151 /nfs/dbraw/zinc/33/31/51/659333151.db2.gz BKRXAZIEWKDXAO-OWOJBTEDSA-N 0 0 307.737 3.479 10 30 DGEERN N#Cc1ccc2ncc(/C=C3/Cc4cc(F)ccc4C3=O)n2c1 ZINC000172523010 659341730 /nfs/dbraw/zinc/34/17/30/659341730.db2.gz PJNBDQAGNLFMFE-QPEQYQDCSA-N 0 0 303.296 3.167 10 30 DGEERN Cn1c(C(=O)N(CCC#N)CC2CC2)ccc1-c1ccccc1 ZINC000173526239 659390999 /nfs/dbraw/zinc/39/09/99/659390999.db2.gz QSCLACYZIQMULW-UHFFFAOYSA-N 0 0 307.397 3.458 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)NCCCCSC ZINC000173783452 659400670 /nfs/dbraw/zinc/40/06/70/659400670.db2.gz LQDNREHNDUDPKU-UHFFFAOYSA-N 0 0 310.394 3.102 10 30 DGEERN C=CCCO[C@@H](C)C(=O)OC[C@H]1CCN(c2ccccc2)C1 ZINC000174373704 659429747 /nfs/dbraw/zinc/42/97/47/659429747.db2.gz ANSHNXPBJYPRDO-HOTGVXAUSA-N 0 0 303.402 3.037 10 30 DGEERN C=CCOCCCC(=O)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000174388275 659433084 /nfs/dbraw/zinc/43/30/84/659433084.db2.gz UMLHFVSWGHYANS-MRXNPFEDSA-N 0 0 303.402 3.039 10 30 DGEERN C#C[C@H](C)OC(=O)CCSc1ccccc1Br ZINC000174452075 659434563 /nfs/dbraw/zinc/43/45/63/659434563.db2.gz ZBHCPVIQLDZWIA-JTQLQIEISA-N 0 0 313.216 3.496 10 30 DGEERN N#CCC1(COC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000174731648 659550189 /nfs/dbraw/zinc/55/01/89/659550189.db2.gz ZEVAIJOFDULOAV-UHFFFAOYSA-N 0 0 315.760 3.376 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(CC)c(S(C)(=O)=O)c1 ZINC000089311874 659615392 /nfs/dbraw/zinc/61/53/92/659615392.db2.gz YNUBETMILIIDOI-LBPRGKRZSA-N 0 0 310.415 3.164 10 30 DGEERN C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(F)(F)F ZINC000174896833 659911164 /nfs/dbraw/zinc/91/11/64/659911164.db2.gz MWDLTEGLVFJWPZ-SECBINFHSA-N 0 0 303.305 3.285 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H](C)CC#N ZINC000068322913 659949122 /nfs/dbraw/zinc/94/91/22/659949122.db2.gz MIMLZQVLPBYCFY-VFNNOXKTSA-N 0 0 323.396 3.455 10 30 DGEERN N#Cc1cc(COc2c(F)c(F)c(F)c(F)c2F)ccn1 ZINC000068768264 659964380 /nfs/dbraw/zinc/96/43/80/659964380.db2.gz BACGODVQYSDTMK-UHFFFAOYSA-N 0 0 300.186 3.228 10 30 DGEERN Cc1csc(SCc2ccc(C(=O)N[C@H](C)C#N)cc2)n1 ZINC000068925191 659969478 /nfs/dbraw/zinc/96/94/78/659969478.db2.gz VTWYVTLOCSWVTD-SNVBAGLBSA-N 0 0 317.439 3.386 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1cn(C)nc1C(C)(C)C ZINC000180884973 659973059 /nfs/dbraw/zinc/97/30/59/659973059.db2.gz YGMVNIMGEDAYGD-UHFFFAOYSA-N 0 0 315.392 3.481 10 30 DGEERN CC(C)(C)NC(=O)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000069285088 659985439 /nfs/dbraw/zinc/98/54/39/659985439.db2.gz KTMGXQWYXNDTJR-OAHLLOKOSA-N 0 0 321.380 3.100 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)CCc1ccccc1O ZINC000182028591 660031141 /nfs/dbraw/zinc/03/11/41/660031141.db2.gz YWBQLSDAUDAGJX-CYBMUJFWSA-N 0 0 310.353 3.254 10 30 DGEERN C=CC[C@@H](C)NC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182024136 660031192 /nfs/dbraw/zinc/03/11/92/660031192.db2.gz TZOJIFJFERKIBU-DYVFJYSZSA-N 0 0 310.438 3.247 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1ccc(NC(C)=O)cc1 ZINC000182281893 660040751 /nfs/dbraw/zinc/04/07/51/660040751.db2.gz IKOSOTABENCDSV-WEVVVXLNSA-N 0 0 311.337 3.255 10 30 DGEERN C=C(Br)COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182529392 660059418 /nfs/dbraw/zinc/05/94/18/660059418.db2.gz YZSBVMBONNLERF-UHFFFAOYSA-N 0 0 306.159 3.307 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182978898 660095537 /nfs/dbraw/zinc/09/55/37/660095537.db2.gz VAZAANWLGOOOLE-BBRMVZONSA-N 0 0 304.434 3.281 10 30 DGEERN COc1ccc(C(=O)CCC(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000183087242 660101500 /nfs/dbraw/zinc/10/15/00/660101500.db2.gz GIYZAUYVEXWAAQ-LBPRGKRZSA-N 0 0 303.358 3.140 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccc(OC(F)F)cc3)n2c1 ZINC000155670200 661850523 /nfs/dbraw/zinc/85/05/23/661850523.db2.gz LGEXJHQQRHIJQU-UHFFFAOYSA-N 0 0 314.295 3.419 10 30 DGEERN C#CCN(CC(=O)Nc1ccc(C)cc1Cl)C1CCCC1 ZINC000155809095 661853079 /nfs/dbraw/zinc/85/30/79/661853079.db2.gz JARPISHREDIZNJ-UHFFFAOYSA-N 0 0 304.821 3.465 10 30 DGEERN C#CCN(CC(=O)Nc1cc(Cl)ccc1F)C1CCCC1 ZINC000155886239 661854496 /nfs/dbraw/zinc/85/44/96/661854496.db2.gz FOFUPGMFTZVUSQ-UHFFFAOYSA-N 0 0 308.784 3.295 10 30 DGEERN C#CCCCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000155930245 661855189 /nfs/dbraw/zinc/85/51/89/661855189.db2.gz NYGRXZAAGPLOAS-UHFFFAOYSA-N 0 0 309.369 3.147 10 30 DGEERN C=CCC[C@@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)C1CC1 ZINC000159471533 661888675 /nfs/dbraw/zinc/88/86/75/661888675.db2.gz NOTSIFHLQFIRSV-MRXNPFEDSA-N 0 0 322.426 3.133 10 30 DGEERN C=CCC[C@@H](OC(=O)CCS(=O)(=O)C1CCCC1)C1CC1 ZINC000159638704 661891789 /nfs/dbraw/zinc/89/17/89/661891789.db2.gz CYXRFNTYPPJGPZ-OAHLLOKOSA-N 0 0 314.447 3.022 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000188067600 661914062 /nfs/dbraw/zinc/91/40/62/661914062.db2.gz DPVFRRKMPRQNEY-SECBINFHSA-N 0 0 316.235 3.463 10 30 DGEERN Cc1c(C(=O)/C=C/c2cnc3ccc(C#N)cn23)cnn1C(C)C ZINC000188882869 661950748 /nfs/dbraw/zinc/95/07/48/661950748.db2.gz GQFUIDJLXKKWBM-AATRIKPKSA-N 0 0 319.368 3.188 10 30 DGEERN N#C[C@H](COC(=O)CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000076903731 662004658 /nfs/dbraw/zinc/00/46/58/662004658.db2.gz PSQAKQUMSWXBFN-LLVKDONJSA-N 0 0 303.255 3.394 10 30 DGEERN C=CC[C@]1(C(=O)NCC(C)C)CCCN1C(=O)OC(C)(C)C ZINC000190375770 662030266 /nfs/dbraw/zinc/03/02/66/662030266.db2.gz ZLOABBXBOYEQTC-QGZVFWFLSA-N 0 0 310.438 3.104 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000191157287 662055727 /nfs/dbraw/zinc/05/57/27/662055727.db2.gz ORQCJPDSRCIAHE-INIZCTEOSA-N 0 0 307.346 3.289 10 30 DGEERN CCc1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)cs1 ZINC000078359244 662061510 /nfs/dbraw/zinc/06/15/10/662061510.db2.gz PIFGGXMWQJLCDW-NSHDSACASA-N 0 0 316.382 3.088 10 30 DGEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1ccc(C#N)cc1 ZINC000078480203 662070453 /nfs/dbraw/zinc/07/04/53/662070453.db2.gz CRIZRORBXPZMEK-ZDUSSCGKSA-N 0 0 323.352 3.296 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000079209943 662103950 /nfs/dbraw/zinc/10/39/50/662103950.db2.gz JLMQKEFCIFSVOQ-GOSISDBHSA-N 0 0 308.381 3.150 10 30 DGEERN C#CCCCCC(=O)OCC1(c2ccccc2)CCOCC1 ZINC000193342429 662131137 /nfs/dbraw/zinc/13/11/37/662131137.db2.gz TWHRKXXJOQFRFI-UHFFFAOYSA-N 0 0 300.398 3.472 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000080382185 662138814 /nfs/dbraw/zinc/13/88/14/662138814.db2.gz ABRAFMHWWGNQLQ-AWEZNQCLSA-N 0 0 311.341 3.319 10 30 DGEERN COCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000193770926 662147719 /nfs/dbraw/zinc/14/77/19/662147719.db2.gz PNADZDZAIBPLLN-SNVBAGLBSA-N 0 0 307.300 3.034 10 30 DGEERN C[C@@H](NC(=O)c1ccccc1OCC#N)c1ccc(F)c(F)c1 ZINC000194053692 662156227 /nfs/dbraw/zinc/15/62/27/662156227.db2.gz KTOMYCIWKDAPNV-LLVKDONJSA-N 0 0 316.307 3.358 10 30 DGEERN COc1ccc2ccc(OC(=O)c3cc(C#N)cn3C)cc2c1 ZINC000080944139 662156616 /nfs/dbraw/zinc/15/66/16/662156616.db2.gz AGYQNMGFNDLBMQ-UHFFFAOYSA-N 0 0 306.321 3.278 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cnn(C(C)(C)C)c2)cc1 ZINC000081323926 662164870 /nfs/dbraw/zinc/16/48/70/662164870.db2.gz IEDBKDSTUFWXLV-UHFFFAOYSA-N 0 0 300.358 3.422 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccsc1)Cc1ccc(F)cc1 ZINC000194541368 662168067 /nfs/dbraw/zinc/16/80/67/662168067.db2.gz ZZVJEEOGPVCSKU-AWEZNQCLSA-N 0 0 303.358 3.355 10 30 DGEERN C#CCN(C(=O)NC[C@H](OCC)c1ccccc1)C1CCCC1 ZINC000195184381 662179711 /nfs/dbraw/zinc/17/97/11/662179711.db2.gz SSZSSAMCGBAHSC-SFHVURJKSA-N 0 0 314.429 3.352 10 30 DGEERN C=C(Br)CNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000195246559 662181494 /nfs/dbraw/zinc/18/14/94/662181494.db2.gz DTAQNMSVNPYTNN-UHFFFAOYSA-N 0 0 310.151 3.166 10 30 DGEERN CCCCCCCS(=O)(=O)N[C@@H](CC)c1nccs1 ZINC000195276863 662182795 /nfs/dbraw/zinc/18/27/95/662182795.db2.gz VMACFPLIUWRGTE-LBPRGKRZSA-N 0 0 304.481 3.484 10 30 DGEERN CCO[C@@H]1C[C@H](OC(=O)c2cc(C#N)cn2C)C1(CC)CC ZINC000083780676 662196575 /nfs/dbraw/zinc/19/65/75/662196575.db2.gz OVHVKYXVOBBKJK-CABCVRRESA-N 0 0 304.390 3.037 10 30 DGEERN CCN(CC)C(=O)CCC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000088817885 662235784 /nfs/dbraw/zinc/23/57/84/662235784.db2.gz NBWJOMHBDWNDDO-GFCCVEGCSA-N 0 0 321.446 3.091 10 30 DGEERN CCN(C[C@H](C)C#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245611890 662237075 /nfs/dbraw/zinc/23/70/75/662237075.db2.gz LOCCRKIQJJIGQK-IUODEOHRSA-N 0 0 305.809 3.315 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1cccc(OCc2noc(C)n2)c1 ZINC000089312431 662241912 /nfs/dbraw/zinc/24/19/12/662241912.db2.gz NBMSPHVEVYMOTK-LBPRGKRZSA-N 0 0 316.357 3.469 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000089317794 662241924 /nfs/dbraw/zinc/24/19/24/662241924.db2.gz YKWVAMQHOZNRFM-DZGCQCFKSA-N 0 0 321.442 3.180 10 30 DGEERN CCC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1O ZINC000092704985 662334255 /nfs/dbraw/zinc/33/42/55/662334255.db2.gz WZMXGQULSXPCCA-UHFFFAOYSA-N 0 0 320.396 3.324 10 30 DGEERN CCCCc1oc2ccccc2c1C=CC(O)=C(C#N)C(=O)NC ZINC000133447544 685068888 /nfs/dbraw/zinc/06/88/88/685068888.db2.gz JBQZUJSJWHWKJH-NKSUMMKUSA-N 0 0 324.380 3.243 10 30 DGEERN C#C[C@@H](C)OC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000174433725 685105934 /nfs/dbraw/zinc/10/59/34/685105934.db2.gz KULPVRBOSGVEBK-ODIFPOPNSA-N 0 0 319.445 3.197 10 30 DGEERN C#C[C@@H](C)OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000174439361 685105957 /nfs/dbraw/zinc/10/59/57/685105957.db2.gz RSJQEUIAQHSRSY-GFCCVEGCSA-N 0 0 306.358 3.061 10 30 DGEERN C#CCN(C(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000586132775 1177034819 /nfs/dbraw/zinc/03/48/19/1177034819.db2.gz OVYLEVYYZBMJCJ-UHFFFAOYSA-N 0 0 306.214 3.026 10 30 DGEERN CO[C@@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@@H]1C ZINC000228198215 1177038206 /nfs/dbraw/zinc/03/82/06/1177038206.db2.gz ZGDBZIAJPNXVES-IINYFYTJSA-N 0 0 309.207 3.182 10 30 DGEERN C#C[C@@](C)(CC)NC(=O)c1cc(Br)cn1C(C)C ZINC000384131842 1177086412 /nfs/dbraw/zinc/08/64/12/1177086412.db2.gz AUVPPOWHNBEMJP-AWEZNQCLSA-N 0 0 311.223 3.363 10 30 DGEERN N#Cc1ccc(NCc2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000096600953 1198980302 /nfs/dbraw/zinc/98/03/02/1198980302.db2.gz OMENOXMOSGAELI-UHFFFAOYSA-N 0 0 303.705 3.438 10 30 DGEERN C=C[C@@H](C)ONC(=O)c1cc(Cl)cc(Br)c1 ZINC000400915300 1199374638 /nfs/dbraw/zinc/37/46/38/1199374638.db2.gz CDYMUFIAGLAYFS-SSDOTTSWSA-N 0 0 304.571 3.338 10 30 DGEERN C=C(C)CONC(=O)c1cc(Cl)ccc1Br ZINC000400930885 1199375663 /nfs/dbraw/zinc/37/56/63/1199375663.db2.gz KTEULPJOAOIPRS-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN CC[C@H]1CN(c2cc(Br)ccc2C#N)[C@H](C)CO1 ZINC000403907885 1199527879 /nfs/dbraw/zinc/52/78/79/1199527879.db2.gz XQQACVKZQFLZEY-MFKMUULPSA-N 0 0 309.207 3.324 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2ccc(OC)cc2F)cc1 ZINC000404652429 1199575364 /nfs/dbraw/zinc/57/53/64/1199575364.db2.gz RVQIVPNPRSXMDO-UHFFFAOYSA-N 0 0 314.360 3.362 10 30 DGEERN N#Cc1cccc2c1CN(c1cccc(Br)n1)C2 ZINC000405015189 1199590243 /nfs/dbraw/zinc/59/02/43/1199590243.db2.gz DDCKDPYTKQQHIW-UHFFFAOYSA-N 0 0 300.159 3.236 10 30 DGEERN N#Cc1cccc2c1CN(Cc1ccc(Br)o1)C2 ZINC000405040959 1199591082 /nfs/dbraw/zinc/59/10/82/1199591082.db2.gz BRBGLAZDKZGNKR-UHFFFAOYSA-N 0 0 303.159 3.430 10 30 DGEERN N#Cc1ccc(Br)cc1Oc1ncccc1[N+](=O)[O-] ZINC000308078603 1199701872 /nfs/dbraw/zinc/70/18/72/1199701872.db2.gz HEXAPINDYFRMRY-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C[C@](O)(CNc1cc(Br)ccc1C#N)C(F)(F)F ZINC000310885296 1199731412 /nfs/dbraw/zinc/73/14/12/1199731412.db2.gz SJYSNSOGZKMLSC-JTQLQIEISA-N 0 0 323.112 3.046 10 30 DGEERN N#Cc1ccc(Oc2ncc(Br)cc2C#N)cc1 ZINC000310881051 1199731801 /nfs/dbraw/zinc/73/18/01/1199731801.db2.gz IEPCISORXJUNRJ-UHFFFAOYSA-N 0 0 300.115 3.380 10 30 DGEERN CN(Cc1ccccn1)c1cc(Br)ccc1C#N ZINC000123120494 1200273011 /nfs/dbraw/zinc/27/30/11/1200273011.db2.gz IXVNSHQDCCRQBQ-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN N#Cc1ccc(Br)cc1N[C@@H](CO)c1ccccc1 ZINC000124437661 1200351784 /nfs/dbraw/zinc/35/17/84/1200351784.db2.gz QFFHJCJTCXYZSJ-HNNXBMFYSA-N 0 0 317.186 3.466 10 30 DGEERN C=CCOc1cccc(CNc2ccn(CCCOC)n2)c1 ZINC000151669138 1202592898 /nfs/dbraw/zinc/59/28/98/1202592898.db2.gz CPFMRGQNXHVCDE-UHFFFAOYSA-N 0 0 301.390 3.097 10 30 DGEERN CC[C@@H]1COCCN1c1ccc(C#N)c(Br)c1F ZINC000231844290 1202600330 /nfs/dbraw/zinc/60/03/30/1202600330.db2.gz DQCYEBZXRDWBIN-SNVBAGLBSA-N 0 0 313.170 3.075 10 30 DGEERN C[C@H]1CN(c2ccc(C#N)c(Br)c2F)[C@@H](C)CO1 ZINC000231844177 1202600331 /nfs/dbraw/zinc/60/03/31/1202600331.db2.gz RBGNMBZNGLJINZ-IUCAKERBSA-N 0 0 313.170 3.073 10 30 DGEERN CO[C@@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 ZINC000234973211 1202603874 /nfs/dbraw/zinc/60/38/74/1202603874.db2.gz VUIZGOBDFGIZIV-VHSXEESVSA-N 0 0 313.170 3.439 10 30 DGEERN C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)CCO1 ZINC000235446824 1202604563 /nfs/dbraw/zinc/60/45/63/1202604563.db2.gz SOGAJJDBJBWYRB-SCZZXKLOSA-N 0 0 313.170 3.439 10 30 DGEERN C=CCOc1cccc(CNCc2nc3ccccc3n2C)c1 ZINC000237748637 1202694700 /nfs/dbraw/zinc/69/47/00/1202694700.db2.gz RODULKJCSKURFC-UHFFFAOYSA-N 0 0 307.397 3.428 10 30 DGEERN C=C(C)COCCN[C@H](c1nccn1C)c1ccccc1Cl ZINC000180652066 1204333179 /nfs/dbraw/zinc/33/31/79/1204333179.db2.gz DRMFDCHOJQDINH-INIZCTEOSA-N 0 0 319.836 3.345 10 30 DGEERN C[S@](=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000181133374 1204335687 /nfs/dbraw/zinc/33/56/87/1204335687.db2.gz WITVPHFENVTBHQ-QHCPKHFHSA-N 0 0 324.405 3.231 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000197924206 1204343318 /nfs/dbraw/zinc/34/33/18/1204343318.db2.gz QNJKRWHMLBQGSK-KRWDZBQOSA-N 0 0 315.438 3.461 10 30 DGEERN COc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)c(OC)c1 ZINC000588409699 1082167887 /nfs/dbraw/zinc/16/78/87/1082167887.db2.gz PKGITPUYGWJXOA-YVMONPNESA-N 0 0 314.337 3.314 10 30 DGEERN O=C1c2c(F)ccc(F)c2OC/C1=C\c1cnn2ccccc12 ZINC000588425494 1082224021 /nfs/dbraw/zinc/22/40/21/1082224021.db2.gz CREIKIGADXOBFF-YRNVUSSQSA-N 0 0 312.275 3.271 10 30 DGEERN COc1cccc(C#CCOC(=O)/C=C\c2ncccc2C)c1 ZINC000588456359 1082332858 /nfs/dbraw/zinc/33/28/58/1082332858.db2.gz SNFYDOQMTXIREC-KHPPLWFESA-N 0 0 307.349 3.007 10 30 DGEERN Oc1ccc(Cl)cc1/C=N\C[C@H]1COc2ccccc2O1 ZINC000005289932 1082410064 /nfs/dbraw/zinc/41/00/64/1082410064.db2.gz XXIWLTIKDPJURF-WUQDTEKSSA-N 0 0 303.745 3.305 10 30 DGEERN C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C)=C\C(C)(C)C)c1 ZINC000588499564 1082494926 /nfs/dbraw/zinc/49/49/26/1082494926.db2.gz RQKLKTCFASYOHN-OWBHPGMISA-N 0 0 312.413 3.057 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000588556965 1082623697 /nfs/dbraw/zinc/62/36/97/1082623697.db2.gz VWUIXPQQEUIBOR-CKDFRHGISA-N 0 0 318.369 3.389 10 30 DGEERN COc1ccccc1C=NOCc1nc(C)c2ccccc2n1 ZINC000588600088 1082839070 /nfs/dbraw/zinc/83/90/70/1082839070.db2.gz TWAKPUHICJRWEF-UHFFFAOYSA-N 0 0 307.353 3.498 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000588551894 1083190845 /nfs/dbraw/zinc/19/08/45/1083190845.db2.gz RHOUVIUXBNLYOX-POZKEBTKSA-N 0 0 318.369 3.201 10 30 DGEERN N#Cc1ccc(N2CCc3c2cccc3Br)nc1 ZINC000712209098 1085633567 /nfs/dbraw/zinc/63/35/67/1085633567.db2.gz ZTAXBWZXZKXKBZ-UHFFFAOYSA-N 0 0 300.159 3.410 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@@H](C)c2cccc(OC)c2)c1 ZINC000176604672 1088183781 /nfs/dbraw/zinc/18/37/81/1088183781.db2.gz QXIALGPYKGJRMP-HNNXBMFYSA-N 0 0 324.376 3.402 10 30 DGEERN C=CCCS(=O)(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000716328944 1092097643 /nfs/dbraw/zinc/09/76/43/1092097643.db2.gz NDRJMAFPQNMZCH-UHFFFAOYSA-N 0 0 308.230 3.031 10 30 DGEERN C#CC[C@H](COC)Nc1nccc2c(Br)cccc21 ZINC000716340030 1092106172 /nfs/dbraw/zinc/10/61/72/1092106172.db2.gz LRVXJGLBJKUYLJ-LLVKDONJSA-N 0 0 319.202 3.448 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)ccc1N ZINC000040332163 1092534173 /nfs/dbraw/zinc/53/41/73/1092534173.db2.gz DQALXBBJXUJQJQ-UHFFFAOYSA-N 0 0 303.749 3.071 10 30 DGEERN COc1ccc(C#N)cc1CN1CCC=C(Br)C1 ZINC000404486254 1094259718 /nfs/dbraw/zinc/25/97/18/1094259718.db2.gz WVUGNBFNAHCTEA-UHFFFAOYSA-N 0 0 307.191 3.051 10 30 DGEERN Cc1cc(NCCOCc2ccccc2)c(C#N)cc1[N+](=O)[O-] ZINC000721049916 1096481817 /nfs/dbraw/zinc/48/18/17/1096481817.db2.gz DTKRNTMIOOPLQP-UHFFFAOYSA-N 0 0 311.341 3.404 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NCC=C)cc1 ZINC000077279727 334925746 /nfs/dbraw/zinc/92/57/46/334925746.db2.gz JKVATUXTYFUUKQ-UHFFFAOYSA-N 0 0 301.390 3.032 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCOCCc1ccccc1 ZINC000162233083 197553534 /nfs/dbraw/zinc/55/35/34/197553534.db2.gz IOEFLQNJFPUDEV-UHFFFAOYSA-N 0 0 322.408 3.246 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000129312054 432003581 /nfs/dbraw/zinc/00/35/81/432003581.db2.gz WTUMPQPGWYBPOE-CQSZACIVSA-N 0 0 300.321 3.233 10 30 DGEERN N#Cc1csc(CNCc2csc(Br)c2)n1 ZINC000309533029 231098945 /nfs/dbraw/zinc/09/89/45/231098945.db2.gz DLTNIRAKSCFKHG-UHFFFAOYSA-N 0 0 314.233 3.129 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000278749968 214374262 /nfs/dbraw/zinc/37/42/62/214374262.db2.gz FGOJWNMCCDSLEP-KUHUBIRLSA-N 0 0 310.397 3.253 10 30 DGEERN CCc1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)o1 ZINC000176680096 529589726 /nfs/dbraw/zinc/58/97/26/529589726.db2.gz FFTJBTDMSZKZSE-SNAWJCMRSA-N 0 0 318.398 3.031 10 30 DGEERN CCc1cnc(CCNC(=O)Nc2cccc(C#N)c2C)s1 ZINC000178551050 529640255 /nfs/dbraw/zinc/64/02/55/529640255.db2.gz PHAIEQBRSHLZSK-UHFFFAOYSA-N 0 0 314.414 3.250 10 30 DGEERN CN(C)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 ZINC000358582160 529817298 /nfs/dbraw/zinc/81/72/98/529817298.db2.gz SIYXBRCZGBFJMQ-HJWRWDBZSA-N 0 0 307.357 3.174 10 30 DGEERN N#Cc1cccnc1N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000225519825 201723976 /nfs/dbraw/zinc/72/39/76/201723976.db2.gz PXQXPAIATCXMFO-LLVKDONJSA-N 0 0 321.306 3.079 10 30 DGEERN CC(C)[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000103850440 432012693 /nfs/dbraw/zinc/01/26/93/432012693.db2.gz VZKBJUCNJLTSLE-AWEZNQCLSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCNc1nnc(SCc2nc(-c3ccoc3)no2)s1 ZINC000105571569 432018585 /nfs/dbraw/zinc/01/85/85/432018585.db2.gz SLEXKKZXJLUGMG-UHFFFAOYSA-N 0 0 321.387 3.071 10 30 DGEERN C#CCC(CC#C)C(=O)NCC1(c2ccccc2OC)CCCC1 ZINC000277459787 213538621 /nfs/dbraw/zinc/53/86/21/213538621.db2.gz OXTMLPUWVAKRAP-UHFFFAOYSA-N 0 0 323.436 3.286 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1csc2ccccc12 ZINC000272549843 209962728 /nfs/dbraw/zinc/96/27/28/209962728.db2.gz CVZRXIODGQRNST-UHFFFAOYSA-N 0 0 302.399 3.264 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000279887260 215208262 /nfs/dbraw/zinc/20/82/62/215208262.db2.gz HKGWNTKDOJNSLN-MRXNPFEDSA-N 0 0 309.413 3.435 10 30 DGEERN Cc1c(Cl)cccc1S(=O)(=O)N(CC#N)C1CCCC1 ZINC000159548541 186126227 /nfs/dbraw/zinc/12/62/27/186126227.db2.gz SIFCZLLDDCXMCB-UHFFFAOYSA-N 0 0 312.822 3.105 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189977135 186258003 /nfs/dbraw/zinc/25/80/03/186258003.db2.gz NAGQRTCXBZMNEM-TZMCWYRMSA-N 0 0 302.374 3.099 10 30 DGEERN C=CCOCCCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000173247408 198200474 /nfs/dbraw/zinc/20/04/74/198200474.db2.gz QGAJJYGIPYFBMN-UHFFFAOYSA-N 0 0 303.387 3.126 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000173426283 198213224 /nfs/dbraw/zinc/21/32/24/198213224.db2.gz OMGNMABJYAWMSR-OAHLLOKOSA-N 0 0 317.433 3.342 10 30 DGEERN C=CCOCCCC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000173809414 198254519 /nfs/dbraw/zinc/25/45/19/198254519.db2.gz AEGKRPXLCLEWKE-RHSMWYFYSA-N 0 0 321.392 3.097 10 30 DGEERN C=CCOc1ccccc1C(=O)NCc1csc(CC)n1 ZINC000107616866 432035006 /nfs/dbraw/zinc/03/50/06/432035006.db2.gz KFAXZMUFNWNKMI-UHFFFAOYSA-N 0 0 302.399 3.200 10 30 DGEERN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000003445127 181021119 /nfs/dbraw/zinc/02/11/19/181021119.db2.gz UXUGSLBBIGMDGV-CYBMUJFWSA-N 0 0 308.337 3.167 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H](C)CO2)c1 ZINC000175952451 198529125 /nfs/dbraw/zinc/52/91/25/198529125.db2.gz XGMADPJGYSYJBC-KBXCAEBGSA-N 0 0 323.396 3.105 10 30 DGEERN COc1cc(-c2noc([C@@H](C)Oc3ccccc3C#N)n2)ccn1 ZINC000073340132 191305877 /nfs/dbraw/zinc/30/58/77/191305877.db2.gz UTQFGFTZBNCJEZ-LLVKDONJSA-N 0 0 322.324 3.152 10 30 DGEERN C=CCC(CC=C)C(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000176978507 198644999 /nfs/dbraw/zinc/64/49/99/198644999.db2.gz JEGFOELEVIFWGT-PMPSAXMXSA-N 0 0 305.418 3.088 10 30 DGEERN N#CC1CCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000057995061 283050128 /nfs/dbraw/zinc/05/01/28/283050128.db2.gz SLAJNKNVOCWFEE-HNNXBMFYSA-N 0 0 303.793 3.272 10 30 DGEERN N#CC1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179605601 283050370 /nfs/dbraw/zinc/05/03/70/283050370.db2.gz RFQQATZHULGVAP-OAHLLOKOSA-N 0 0 303.793 3.069 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2C[C@H]1C ZINC000004959104 181179962 /nfs/dbraw/zinc/17/99/62/181179962.db2.gz GSJGHHAYOLLAKX-KGLIPLIRSA-N 0 0 306.365 3.303 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cs2)C12CCCC2 ZINC000177092558 198665789 /nfs/dbraw/zinc/66/57/89/198665789.db2.gz SMZOECJPNZCAFA-HUUCEWRRSA-N 0 0 318.442 3.430 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C#N ZINC000067980101 432049237 /nfs/dbraw/zinc/04/92/37/432049237.db2.gz XFJKUHWHBBKDGE-UHFFFAOYSA-N 0 0 310.401 3.209 10 30 DGEERN C=C(C)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000005195179 181215461 /nfs/dbraw/zinc/21/54/61/181215461.db2.gz FHAGACMCMQYSNX-OAHLLOKOSA-N 0 0 307.349 3.277 10 30 endogenous,in-man DGEERN C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000005573614 181259153 /nfs/dbraw/zinc/25/91/53/181259153.db2.gz IXJFDCWNBWBFHL-LBPRGKRZSA-N 0 0 317.458 3.311 10 30 DGEERN COc1ccc(C(N=Nc2ccccn2)c2ccccn2)cc1 ZINC000005582000 181260323 /nfs/dbraw/zinc/26/03/23/181260323.db2.gz WISOJXSGCJIHCX-RELWKKBWSA-N 0 0 304.353 3.350 10 30 DGEERN CCOc1cc(C(=O)NCc2cc(C#N)ccc2F)ccc1C ZINC000080791953 192190641 /nfs/dbraw/zinc/19/06/41/192190641.db2.gz IMNXGSDDDUIISF-UHFFFAOYSA-N 0 0 312.344 3.335 10 30 DGEERN O=[N+]([O-])c1ccc(NN=Cc2cnn(-c3ccccc3)c2)cc1 ZINC000005685261 181271668 /nfs/dbraw/zinc/27/16/68/181271668.db2.gz MUZFXFJMRWEOIE-LICLKQGHSA-N 0 0 307.313 3.227 10 30 DGEERN N#Cc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005716988 181276202 /nfs/dbraw/zinc/27/62/02/181276202.db2.gz DNFOCTWQGLWTEA-UHFFFAOYSA-N 0 0 301.689 3.372 10 30 DGEERN Cc1cnc(CCN(C)C(=O)Nc2ccc(C#N)cc2)s1 ZINC000165653746 432056683 /nfs/dbraw/zinc/05/66/83/432056683.db2.gz ITFUGXQSTDETSB-UHFFFAOYSA-N 0 0 300.387 3.030 10 30 DGEERN C=CCN(CC=C)C(=O)Cc1ccc(Br)s1 ZINC000170218400 432072027 /nfs/dbraw/zinc/07/20/27/432072027.db2.gz CBVXSQVLDMWYIL-UHFFFAOYSA-N 0 0 300.221 3.254 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1cc(C#N)ccc1C ZINC000179119253 198987228 /nfs/dbraw/zinc/98/72/28/198987228.db2.gz SLPWKWQEWKLGMW-UHFFFAOYSA-N 0 0 314.414 3.420 10 30 DGEERN C#CCC1(C(=O)Nc2cc(-c3ccncc3)[nH]n2)CCCCC1 ZINC000276585130 212979548 /nfs/dbraw/zinc/97/95/48/212979548.db2.gz JWYNOLCVCMWKFU-UHFFFAOYSA-N 0 0 308.385 3.384 10 30 DGEERN CC(=O)CCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000180106030 432077953 /nfs/dbraw/zinc/07/79/53/432077953.db2.gz LXQINYORYCSCCW-UHFFFAOYSA-N 0 0 306.365 3.211 10 30 DGEERN Cn1cc([C@H]2CCCN2Cc2ccc(Cl)cc2C#N)cn1 ZINC000186946861 200036781 /nfs/dbraw/zinc/03/67/81/200036781.db2.gz AMSLVXNVXCKDIV-MRXNPFEDSA-N 0 0 300.793 3.282 10 30 DGEERN C=CC[C@@H](C(=O)N[C@@H](C)CCC(=O)OCC)c1ccccc1 ZINC000188877518 200315200 /nfs/dbraw/zinc/31/52/00/200315200.db2.gz AHXQUVPWUUXOGB-GOEBONIOSA-N 0 0 303.402 3.194 10 30 DGEERN Cc1nnc([C@@H](N[C@H](C)c2ccc(C#N)s2)c2ccccc2)[nH]1 ZINC000134874722 432088330 /nfs/dbraw/zinc/08/83/30/432088330.db2.gz PHOZNRDFZOIDCK-BZNIZROVSA-N 0 0 323.425 3.487 10 30 DGEERN CC(C)(C#N)c1ccc(NC(=O)[C@H](O)C2CCCCC2)cc1 ZINC000189810045 432092097 /nfs/dbraw/zinc/09/20/97/432092097.db2.gz OSDOYMOVRMGRGD-MRXNPFEDSA-N 0 0 300.402 3.367 10 30 DGEERN Cc1cc(Br)ccc1C(=O)Nc1cc(C#N)ccn1 ZINC000436015954 238383225 /nfs/dbraw/zinc/38/32/25/238383225.db2.gz OVICDQJJGNUJQP-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN COC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435958549 238377155 /nfs/dbraw/zinc/37/71/55/238377155.db2.gz WYIRFVZLCZLWQD-OAHLLOKOSA-N 0 0 315.304 3.405 10 30 DGEERN Cc1ccccc1C[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000055557386 283623385 /nfs/dbraw/zinc/62/33/85/283623385.db2.gz GLKMAMONKZYARI-CVEARBPZSA-N 0 0 322.408 3.381 10 30 DGEERN Cc1sc(NC(=O)CN2C[C@@H](C)CC[C@H]2C)c(C#N)c1C ZINC000246100869 432095517 /nfs/dbraw/zinc/09/55/17/432095517.db2.gz AXBNNXNGUFPKIQ-WDEREUQCSA-N 0 0 305.447 3.296 10 30 DGEERN C=C[C@@H](CC(=O)NC1(CC(=O)OC)CCCC1)c1ccccc1 ZINC000193912087 201143550 /nfs/dbraw/zinc/14/35/50/201143550.db2.gz CGTFMLLSGJJCEP-HNNXBMFYSA-N 0 0 315.413 3.338 10 30 DGEERN COc1ccc(F)c(NC(=O)NCCc2cccc(C#N)c2)c1 ZINC000439430093 238859506 /nfs/dbraw/zinc/85/95/06/238859506.db2.gz HRMOIEQLODFOAK-UHFFFAOYSA-N 0 0 313.332 3.070 10 30 DGEERN N#CC1CCC(CNC(=O)C2=Cc3cc(F)ccc3OC2)CC1 ZINC000441143807 239014108 /nfs/dbraw/zinc/01/41/08/239014108.db2.gz IRBPSFZMUSAODM-UHFFFAOYSA-N 0 0 314.360 3.048 10 30 DGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000440989272 239000764 /nfs/dbraw/zinc/00/07/64/239000764.db2.gz SPOCJHMMGOGADI-IKWCTNDRSA-N 0 0 317.355 3.299 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)ccn1 ZINC000194982479 201321956 /nfs/dbraw/zinc/32/19/56/201321956.db2.gz MPRZCKUGDJTRQN-UHFFFAOYSA-N 0 0 306.369 3.196 10 30 DGEERN CCC[C@@]1(COC)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000442728711 283739250 /nfs/dbraw/zinc/73/92/50/283739250.db2.gz JTFLMSUCOMKGBW-HTWSVDAQSA-N 0 0 321.465 3.307 10 30 DGEERN C[C@H]1c2cccn2CCN1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065398205 291324330 /nfs/dbraw/zinc/32/43/30/291324330.db2.gz HCGRHDIGAMKEQD-AWEZNQCLSA-N 0 0 314.454 3.249 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000275465482 212351704 /nfs/dbraw/zinc/35/17/04/212351704.db2.gz NTEREIMSNLIHRR-UGSOOPFHSA-N 0 0 321.465 3.353 10 30 DGEERN C=CC[C@H](C)NC(=O)c1ccc(C)c(C(=O)N[C@@H](C)CC=C)c1 ZINC000449920909 240480386 /nfs/dbraw/zinc/48/03/86/240480386.db2.gz CVFRDJSMWSONKM-GJZGRUSLSA-N 0 0 314.429 3.384 10 30 DGEERN C=CCOc1ccc(CC(=O)N(C[C@H](C)OC)C(C)C)cc1 ZINC000449977104 240508091 /nfs/dbraw/zinc/50/80/91/240508091.db2.gz DYWZQGQYFLQTDU-HNNXBMFYSA-N 0 0 305.418 3.066 10 30 DGEERN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccc(C#N)n2C)c1 ZINC000450555063 240762440 /nfs/dbraw/zinc/76/24/40/240762440.db2.gz LHCPRIUZNSLWPR-FZKQIMNGSA-N 0 0 323.396 3.129 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000451172459 241030364 /nfs/dbraw/zinc/03/03/64/241030364.db2.gz WPRDGURYDJGHFQ-JKSUJKDBSA-N 0 0 307.397 3.353 10 30 DGEERN CC1(C)CCCC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451314214 241079972 /nfs/dbraw/zinc/07/99/72/241079972.db2.gz HHHJKFVSBZFHRF-OAHLLOKOSA-N 0 0 324.421 3.086 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)C1CC1 ZINC000451338070 241089000 /nfs/dbraw/zinc/08/90/00/241089000.db2.gz YJWFRUTXSUDWKQ-UHFFFAOYSA-N 0 0 321.442 3.054 10 30 DGEERN N#Cc1c(Cl)nsc1NCC[C@H]1C(=O)Nc2ccccc21 ZINC000180964994 432108365 /nfs/dbraw/zinc/10/83/65/432108365.db2.gz QBEYQKPJXFZLNO-SECBINFHSA-N 0 0 318.789 3.206 10 30 DGEERN CC1(C)CCC[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451444697 241126258 /nfs/dbraw/zinc/12/62/58/241126258.db2.gz FMNAEZVNIWKZOJ-HNNXBMFYSA-N 0 0 324.421 3.086 10 30 DGEERN C=CCCc1ccccc1NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000451456897 241127336 /nfs/dbraw/zinc/12/73/36/241127336.db2.gz MDKFYDSYDPLFMF-NVXWUHKLSA-N 0 0 303.402 3.185 10 30 DGEERN C=CCN(CCC#N)C(=O)Cc1ccc(C)cc1Br ZINC000451965814 241285856 /nfs/dbraw/zinc/28/58/56/241285856.db2.gz NGDLXTVZENVDFF-UHFFFAOYSA-N 0 0 321.218 3.228 10 30 DGEERN C=CCCOCCCCC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000452607795 241466143 /nfs/dbraw/zinc/46/61/43/241466143.db2.gz UXCVMAZVSZEVTK-NTDBWNAOSA-N 0 0 303.446 3.420 10 30 DGEERN CCCn1c2ccccc2n(Cc2ccc(C#N)c(F)c2)c1=O ZINC000189985046 432110387 /nfs/dbraw/zinc/11/03/87/432110387.db2.gz QKMCIFZMNYOXRV-UHFFFAOYSA-N 0 0 309.344 3.272 10 30 DGEERN C=CCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453432491 241783057 /nfs/dbraw/zinc/78/30/57/241783057.db2.gz BUEOFTJDKWHGDW-RDTXWAMCSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453441268 241786796 /nfs/dbraw/zinc/78/67/96/241786796.db2.gz NVJHAIVNOYVFAX-CKEIUWERSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCC1(NC(=O)Nc2cncc(C(=O)OC)c2)CCCCC1 ZINC000454976533 242077827 /nfs/dbraw/zinc/07/78/27/242077827.db2.gz GOOKQRRVSCQJSH-UHFFFAOYSA-N 0 0 317.389 3.269 10 30 DGEERN COc1ccc(CSCCOCC(F)(F)F)cc1C#N ZINC000135324298 432112385 /nfs/dbraw/zinc/11/23/85/432112385.db2.gz HUETZEOZKSTCOX-UHFFFAOYSA-N 0 0 305.321 3.379 10 30 DGEERN N#CC1CCC(CNC(=O)Nc2ccc(OC(F)F)cn2)CC1 ZINC000455530116 242227147 /nfs/dbraw/zinc/22/71/47/242227147.db2.gz ZTXCNYWRBVLMEG-UHFFFAOYSA-N 0 0 324.331 3.134 10 30 DGEERN C=CC(C)(C)CNC(=O)Cc1ccc(Br)s1 ZINC000456112462 242351822 /nfs/dbraw/zinc/35/18/22/242351822.db2.gz CQLUZEQSNOKAFZ-UHFFFAOYSA-N 0 0 302.237 3.382 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000456142817 242359937 /nfs/dbraw/zinc/35/99/37/242359937.db2.gz FODJXGNFGYKHIZ-GOSISDBHSA-N 0 0 314.385 3.411 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)NC[C@](C)(O)C2CCCCC2)c1 ZINC000455948447 242316791 /nfs/dbraw/zinc/31/67/91/242316791.db2.gz AZCDVURXVFYXPF-SFHVURJKSA-N 0 0 315.417 3.320 10 30 DGEERN CCCCN(C(=O)c1ccc(C#N)o1)[C@@H]1CCCC[C@H]1OC ZINC000456197556 242376982 /nfs/dbraw/zinc/37/69/82/242376982.db2.gz SLDFSVTULOLBOJ-HUUCEWRRSA-N 0 0 304.390 3.351 10 30 DGEERN C=CCC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCCC1 ZINC000456490850 242471148 /nfs/dbraw/zinc/47/11/48/242471148.db2.gz YOYXMMPGAMAORN-UHFFFAOYSA-N 0 0 303.362 3.165 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000457976191 242927407 /nfs/dbraw/zinc/92/74/07/242927407.db2.gz VUUXROQAGMVLEL-KURKYZTESA-N 0 0 316.445 3.339 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458946120 243208430 /nfs/dbraw/zinc/20/84/30/243208430.db2.gz MSMMXXNKEALIEZ-STQMWFEESA-N 0 0 322.371 3.342 10 30 DGEERN CCc1ccc(C2=CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 ZINC000092963194 193189656 /nfs/dbraw/zinc/18/96/56/193189656.db2.gz QBHNBTOBBHNGDK-UHFFFAOYSA-N 0 0 319.408 3.389 10 30 DGEERN CC[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(=O)OC ZINC000112924816 284098256 /nfs/dbraw/zinc/09/82/56/284098256.db2.gz NGPRPJADTAHIFM-SFHVURJKSA-N 0 0 308.381 3.266 10 30 DGEERN Cc1cccc(NS(=O)(=O)Cc2ccccc2C#N)c1C ZINC000007323221 181454954 /nfs/dbraw/zinc/45/49/54/181454954.db2.gz UVRSZHZJNJXTDK-UHFFFAOYSA-N 0 0 300.383 3.117 10 30 DGEERN C[C@@H](Sc1nnnn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000118174275 284126974 /nfs/dbraw/zinc/12/69/74/284126974.db2.gz QLBJLRJTOVREFF-CYBMUJFWSA-N 0 0 321.409 3.446 10 30 DGEERN C=CCCCCNC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000472845527 244316959 /nfs/dbraw/zinc/31/69/59/244316959.db2.gz HHBOAJPLKKNPRG-UHFFFAOYSA-N 0 0 312.417 3.370 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccc(-c4cnco4)cc3)n2c1 ZINC000119778921 284152066 /nfs/dbraw/zinc/15/20/66/284152066.db2.gz RLUKZAKBJGXVCH-UHFFFAOYSA-N 0 0 315.336 3.473 10 30 DGEERN COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1C ZINC000120319361 284165854 /nfs/dbraw/zinc/16/58/54/284165854.db2.gz UNYNOUOFLYFAHU-UHFFFAOYSA-N 0 0 308.337 3.214 10 30 DGEERN C=CCCC(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F ZINC000479135316 244640730 /nfs/dbraw/zinc/64/07/30/244640730.db2.gz UEAUERRHYPXTNL-CYBMUJFWSA-N 0 0 315.291 3.159 10 30 DGEERN CCCSc1nc(N)c(C#N)c(C(=O)C(C)(C)C)c1C#N ZINC000096336574 193614497 /nfs/dbraw/zinc/61/44/97/193614497.db2.gz JUNQPBLNSDGJMG-UHFFFAOYSA-N 0 0 302.403 3.138 10 30 DGEERN Cc1cc(CN(C)Cc2cn(C)nc2C(F)(F)F)ccc1C#N ZINC000488142234 245151947 /nfs/dbraw/zinc/15/19/47/245151947.db2.gz RCQBVODLIYZABP-UHFFFAOYSA-N 0 0 322.334 3.251 10 30 DGEERN C=CCCCS(=O)(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000489285448 245288348 /nfs/dbraw/zinc/28/83/48/245288348.db2.gz SVBIWAIJSRPMSB-UHFFFAOYSA-N 0 0 311.447 3.040 10 30 DGEERN C=CCCCS(=O)(=O)N(C)Cc1ccc(F)cc1Cl ZINC000489187816 245280190 /nfs/dbraw/zinc/28/01/90/245280190.db2.gz VYJTXTASIMDREY-UHFFFAOYSA-N 0 0 305.802 3.207 10 30 DGEERN C=CC[C@@H](C(=O)NCCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000489619384 245330286 /nfs/dbraw/zinc/33/02/86/245330286.db2.gz PNBKMFBFDKAONL-GOSISDBHSA-N 0 0 321.424 3.373 10 30 DGEERN N#Cc1ccc(OCCN[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127977575 284359562 /nfs/dbraw/zinc/35/95/62/284359562.db2.gz KFSQTNXWEZNWAW-GOSISDBHSA-N 0 0 318.380 3.039 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(C#N)cn1C ZINC000246418752 432128582 /nfs/dbraw/zinc/12/85/82/432128582.db2.gz FWHNKNVPJFONRE-CKEIUWERSA-N 0 0 307.397 3.303 10 30 DGEERN Cc1ccc(/N=C2\S/C(=C\c3ccc[nH]3)C(=O)N2C)c(O)c1 ZINC000016904403 182063981 /nfs/dbraw/zinc/06/39/81/182063981.db2.gz XEGFKDBXMYEEFX-BSYVZCAJSA-N 0 0 313.382 3.263 10 30 DGEERN N/C(=N\O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000019519146 182127503 /nfs/dbraw/zinc/12/75/03/182127503.db2.gz UKSCMZKESDMABN-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192634 432130789 /nfs/dbraw/zinc/13/07/89/432130789.db2.gz JBLZJTODFUFYFY-ZDUSSCGKSA-N 0 0 320.399 3.321 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)C1CCCCC1 ZINC000129333144 284406242 /nfs/dbraw/zinc/40/62/42/284406242.db2.gz WWSYLAFZXSFSAD-UHFFFAOYSA-N 0 0 308.385 3.275 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000494880522 246207400 /nfs/dbraw/zinc/20/74/00/246207400.db2.gz SLBCNRUYFOVLLV-ZDUSSCGKSA-N 0 0 310.344 3.094 10 30 DGEERN Cc1ccsc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033859306 182724103 /nfs/dbraw/zinc/72/41/03/182724103.db2.gz RILSZMXYVFLKSI-QPEQYQDCSA-N 0 0 306.303 3.319 10 30 DGEERN N#Cc1cc(F)c(C(=O)NCCCc2cccc(F)c2)c(F)c1 ZINC000151094488 284548997 /nfs/dbraw/zinc/54/89/97/284548997.db2.gz HYQVUECYNKVHTC-UHFFFAOYSA-N 0 0 318.298 3.338 10 30 DGEERN N#Cc1cc(N)cnc1Sc1ccccc1Br ZINC000037759443 182924033 /nfs/dbraw/zinc/92/40/33/182924033.db2.gz LRWOADQICKQAND-UHFFFAOYSA-N 0 0 306.188 3.449 10 30 DGEERN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000040231937 183048445 /nfs/dbraw/zinc/04/84/45/183048445.db2.gz TYGXSHFZUJAGMN-UHFFFAOYSA-N 0 0 323.318 3.256 10 30 DGEERN C=CCNc1ncnc(Nc2ccccc2Br)c1N ZINC000040708979 183121320 /nfs/dbraw/zinc/12/13/20/183121320.db2.gz SJFLYCLYVZNFQC-UHFFFAOYSA-N 0 0 320.194 3.163 10 30 DGEERN C=CCNc1ncnc(Nc2nc3c(cccc3C)s2)c1N ZINC000040709017 183120740 /nfs/dbraw/zinc/12/07/40/183120740.db2.gz DQXHURACGQEWLZ-UHFFFAOYSA-N 0 0 312.402 3.318 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000274314258 211504832 /nfs/dbraw/zinc/50/48/32/211504832.db2.gz YRRMGRHKFVJOPP-KGLIPLIRSA-N 0 0 303.402 3.455 10 30 DGEERN C[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000041423199 183190495 /nfs/dbraw/zinc/19/04/95/183190495.db2.gz HCILYSNNFDAELS-UGSOOPFHSA-N 0 0 324.355 3.300 10 30 DGEERN CC(C)N(CCC#N)CCOc1cccc(Br)c1 ZINC000042529989 183280874 /nfs/dbraw/zinc/28/08/74/183280874.db2.gz ZXUPTNOECDYBQM-UHFFFAOYSA-N 0 0 311.223 3.452 10 30 DGEERN N#Cc1cc(NCc2nc(-c3ccoc3)no2)ccc1Cl ZINC000105606377 194113532 /nfs/dbraw/zinc/11/35/32/194113532.db2.gz BUYQMVJXHSOPBC-UHFFFAOYSA-N 0 0 300.705 3.467 10 30 DGEERN Cc1cnn([C@@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)c1 ZINC000106222380 194190462 /nfs/dbraw/zinc/19/04/62/194190462.db2.gz WIEBICFREYBNDO-QGZVFWFLSA-N 0 0 319.412 3.153 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cccc(C#N)c1 ZINC000106528916 194225182 /nfs/dbraw/zinc/22/51/82/194225182.db2.gz UGKVFAIRTMFFCD-KRWDZBQOSA-N 0 0 315.417 3.049 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000106610996 194237382 /nfs/dbraw/zinc/23/73/82/194237382.db2.gz AKBOEDWDGKFITE-OALUTQOASA-N 0 0 320.392 3.329 10 30 DGEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000245903241 284852859 /nfs/dbraw/zinc/85/28/59/284852859.db2.gz SQUJGSQKJLNBAT-XHBSWPGZSA-N 0 0 322.405 3.039 10 30 DGEERN Cc1ccc(Oc2ccnc(/C(N)=N/O)c2)c(Br)c1 ZINC000061814030 184188356 /nfs/dbraw/zinc/18/83/56/184188356.db2.gz SOSLYAQTASQSRP-UHFFFAOYSA-N 0 0 322.162 3.039 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000066179624 184395113 /nfs/dbraw/zinc/39/51/13/184395113.db2.gz JVMWEXPSXDBMQQ-WMLDXEAASA-N 0 0 315.417 3.046 10 30 DGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000117598288 194835169 /nfs/dbraw/zinc/83/51/69/194835169.db2.gz DDQVRKMNJKETRY-SCLBCKFNSA-N 0 0 306.365 3.081 10 30 DGEERN Cc1oc2ncnc(NC(=O)CCc3ccc(C#N)cc3)c2c1C ZINC000118198881 194876006 /nfs/dbraw/zinc/87/60/06/194876006.db2.gz BVYFXLRUIJTTNN-UHFFFAOYSA-N 0 0 320.352 3.283 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccs2)C1 ZINC000268356473 252783981 /nfs/dbraw/zinc/78/39/81/252783981.db2.gz BHXORYIUJSQRIL-AWEZNQCLSA-N 0 0 315.354 3.106 10 30 DGEERN CC(C)COc1ccc(NCc2cnc3ccc(C#N)cn23)cn1 ZINC000119751292 195031009 /nfs/dbraw/zinc/03/10/09/195031009.db2.gz CNZJSJRTAIGBFL-UHFFFAOYSA-N 0 0 321.384 3.248 10 30 DGEERN CO[C@H](C)CNc1c(Br)cc(Cl)cc1C#N ZINC000336772089 253000896 /nfs/dbraw/zinc/00/08/96/253000896.db2.gz VDNMPWYBJANZQN-SSDOTTSWSA-N 0 0 303.587 3.421 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H](C)c2cn[nH]c2)c1 ZINC000270173366 208237144 /nfs/dbraw/zinc/23/71/44/208237144.db2.gz BVZMSFAFTSTABH-GFCCVEGCSA-N 0 0 300.362 3.247 10 30 DGEERN COC(=O)[C@@H](NC/C=C\c1ccccc1)c1cccc(C#N)c1 ZINC000255630426 285169894 /nfs/dbraw/zinc/16/98/94/285169894.db2.gz DTIRHJZRPKIQJE-TWVNLXSWSA-N 0 0 306.365 3.075 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000343733728 254182557 /nfs/dbraw/zinc/18/25/57/254182557.db2.gz DILITJNQHSJAAN-ROUUACIJSA-N 0 0 314.335 3.144 10 30 DGEERN C=C(C)CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000156788643 197140317 /nfs/dbraw/zinc/14/03/17/197140317.db2.gz NOLSSPWNWFQFJW-UHFFFAOYSA-N 0 0 309.207 3.093 10 30 DGEERN C#CCCCCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000156131273 197088533 /nfs/dbraw/zinc/08/85/33/197088533.db2.gz DEOAVKHTJGWMCS-UHFFFAOYSA-N 0 0 316.788 3.187 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000153281738 196866588 /nfs/dbraw/zinc/86/65/88/196866588.db2.gz HQKBHYXEUCXNBN-OCCSQVGLSA-N 0 0 307.438 3.105 10 30 DGEERN CCCn1nccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000120613035 195200628 /nfs/dbraw/zinc/20/06/28/195200628.db2.gz WPWRUVJLZANLDK-UHFFFAOYSA-N 0 0 314.414 3.037 10 30 DGEERN COc1ccc(COc2ccc(N3CCCC3=O)cc2)cc1C#N ZINC000152915495 196835392 /nfs/dbraw/zinc/83/53/92/196835392.db2.gz DNHOTCXMZNPSGO-UHFFFAOYSA-N 0 0 322.364 3.273 10 30 DGEERN CCn1cc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000120898018 195260205 /nfs/dbraw/zinc/26/02/05/195260205.db2.gz ZXYNKWVIUFOXHQ-UHFFFAOYSA-N 0 0 323.400 3.186 10 30 DGEERN C=CCOC[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000503719104 257207957 /nfs/dbraw/zinc/20/79/57/257207957.db2.gz XVNCDTMQCTXAGO-RCCFBDPRSA-N 0 0 305.393 3.150 10 30 DGEERN CCc1nc(C2(NC(=O)c3ccc(C#N)cc3C)CCCC2)no1 ZINC000127936125 195922894 /nfs/dbraw/zinc/92/28/94/195922894.db2.gz SBOHEVXLTHXKPK-UHFFFAOYSA-N 0 0 324.384 3.011 10 30 DGEERN N#Cc1cccc(OCCCN2CCC(=O)Nc3ccccc32)c1 ZINC000128107006 195935918 /nfs/dbraw/zinc/93/59/18/195935918.db2.gz HKJOLWVHACPNKO-UHFFFAOYSA-N 0 0 321.380 3.176 10 30 DGEERN C[C@@H](NC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C1CC1 ZINC000358096871 533237531 /nfs/dbraw/zinc/23/75/31/533237531.db2.gz MLMSFUSHVNMECE-LDYMZIIASA-N 0 0 319.817 3.472 10 30 DGEERN C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCOCC1 ZINC000163015090 533317986 /nfs/dbraw/zinc/31/79/86/533317986.db2.gz XOWSPMLEQUEDGD-CYBMUJFWSA-N 0 0 300.402 3.489 10 30 DGEERN C[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1cccs1 ZINC000328641830 533362245 /nfs/dbraw/zinc/36/22/45/533362245.db2.gz YBMGVPVFIHFTOI-CORIIIEPSA-N 0 0 319.430 3.319 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2COCC2(C)C)c1 ZINC000454672232 533520340 /nfs/dbraw/zinc/52/03/40/533520340.db2.gz NSPZRTNHKBGPQT-OAHLLOKOSA-N 0 0 304.390 3.188 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2COCC2(C)C)c1 ZINC000454672230 533520996 /nfs/dbraw/zinc/52/09/96/533520996.db2.gz NSPZRTNHKBGPQT-HNNXBMFYSA-N 0 0 304.390 3.188 10 30 DGEERN C=C(C)CCNC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000455320039 533488134 /nfs/dbraw/zinc/48/81/34/533488134.db2.gz HNZPJPUHPLATAW-UHFFFAOYSA-N 0 0 302.353 3.314 10 30 DGEERN COc1cccc(Cl)c1CC(=O)NC1(C#N)CCCCC1 ZINC000156618280 533556023 /nfs/dbraw/zinc/55/60/23/533556023.db2.gz JWZZFPIWYYWWFQ-UHFFFAOYSA-N 0 0 306.793 3.234 10 30 DGEERN C=C[C@@H](NCC/C=C\c1ccc(Br)cc1)C(=O)OC ZINC000600603332 400105744 /nfs/dbraw/zinc/10/57/44/400105744.db2.gz KHAYXBFRRGZQTR-KXQLTZBTSA-N 0 0 324.218 3.170 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000581377446 400079428 /nfs/dbraw/zinc/07/94/28/400079428.db2.gz DFJGLWLQJKJAFQ-UHFFFAOYSA-N 0 0 300.402 3.055 10 30 DGEERN C=CCC(C)(C)c1noc(CCc2ccc3c(c2)OCCO3)n1 ZINC000581384670 400079478 /nfs/dbraw/zinc/07/94/78/400079478.db2.gz GPJZCXYKRAINOK-UHFFFAOYSA-N 0 0 314.385 3.480 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC[C@@H]1CC ZINC000581667075 400082259 /nfs/dbraw/zinc/08/22/59/400082259.db2.gz OIQLSXVBKCCSPY-LBPRGKRZSA-N 0 0 303.435 3.275 10 30 DGEERN C=CCCCCCNC(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC000581893933 400084383 /nfs/dbraw/zinc/08/43/83/400084383.db2.gz DODTTWRHAHLYJJ-UHFFFAOYSA-N 0 0 323.824 3.324 10 30 DGEERN O=C(CC1=CCCCC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328629010 400182493 /nfs/dbraw/zinc/18/24/93/400182493.db2.gz HTMFFIAAKVEBAB-GJZGRUSLSA-N 0 0 318.396 3.240 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCC1=CCCC1 ZINC000328631882 400183396 /nfs/dbraw/zinc/18/33/96/400183396.db2.gz RNEHXVAUNANZNC-GDBMZVCRSA-N 0 0 303.406 3.438 10 30 DGEERN C=CCn1c(Sc2nc(CC)ns2)nnc1-c1ccco1 ZINC000092584107 400183844 /nfs/dbraw/zinc/18/38/44/400183844.db2.gz NGLNOUWCMDWUSO-UHFFFAOYSA-N 0 0 319.415 3.289 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cc(C2CC2)no1 ZINC000616303505 400121764 /nfs/dbraw/zinc/12/17/64/400121764.db2.gz YMJXUMJYOZLESB-INIZCTEOSA-N 0 0 310.397 3.398 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)[C@H]1CCCO1 ZINC000616302070 400121821 /nfs/dbraw/zinc/12/18/21/400121821.db2.gz ZMCMUJPOGIFTOS-CGTJXYLNSA-N 0 0 301.430 3.495 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000608814873 400123881 /nfs/dbraw/zinc/12/38/81/400123881.db2.gz JZBKWSBOSROTHI-CYBMUJFWSA-N 0 0 315.398 3.144 10 30 DGEERN N#Cc1cc(F)c(N2CCCSCC2)cc1Br ZINC000310192766 400133288 /nfs/dbraw/zinc/13/32/88/400133288.db2.gz DSUUYWSDDPVUAN-UHFFFAOYSA-N 0 0 315.211 3.403 10 30 DGEERN C[C@@H](Nc1cc(C#N)ncn1)c1cccc(Br)c1 ZINC000310638397 400133300 /nfs/dbraw/zinc/13/33/00/400133300.db2.gz RSPYGEVZTOYOKS-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(C#N)c1 ZINC000011373051 400142013 /nfs/dbraw/zinc/14/20/13/400142013.db2.gz NCTJQYKMAHOWKT-UHFFFAOYSA-N 0 0 310.401 3.209 10 30 DGEERN N#Cc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)c(F)c1 ZINC000609228640 400152622 /nfs/dbraw/zinc/15/26/22/400152622.db2.gz DAGAXFMLIAILMU-UHFFFAOYSA-N 0 0 321.311 3.282 10 30 DGEERN N#Cc1ccc(CNC(=O)CNc2ccccc2Cl)c(F)c1 ZINC000609231622 400152712 /nfs/dbraw/zinc/15/27/12/400152712.db2.gz GUVKLUZXCAQBLP-UHFFFAOYSA-N 0 0 317.751 3.079 10 30 DGEERN CC(C)c1ccc(C(=O)NCc2ccc(C#N)cc2F)c(O)c1 ZINC000609240985 400153921 /nfs/dbraw/zinc/15/39/21/400153921.db2.gz BOICXOYQADQBAE-UHFFFAOYSA-N 0 0 312.344 3.456 10 30 DGEERN Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1F ZINC000609252640 400154034 /nfs/dbraw/zinc/15/40/34/400154034.db2.gz XLWYNCWFVPYQTC-UHFFFAOYSA-N 0 0 301.296 3.467 10 30 DGEERN N#CCc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000609252069 400154088 /nfs/dbraw/zinc/15/40/88/400154088.db2.gz DZJABQOGTJWXGU-UHFFFAOYSA-N 0 0 308.316 3.085 10 30 DGEERN C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000014484690 400157364 /nfs/dbraw/zinc/15/73/64/400157364.db2.gz WHAIGJKKISYNDQ-ZDUSSCGKSA-N 0 0 322.364 3.097 10 30 DGEERN COC(=O)c1csc([C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000586789855 400157691 /nfs/dbraw/zinc/15/76/91/400157691.db2.gz CELHOMVOHJOFLQ-SNVBAGLBSA-N 0 0 318.373 3.396 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)ccc1F ZINC000015361582 400164487 /nfs/dbraw/zinc/16/44/87/400164487.db2.gz LBYZCYLFSBQZHG-SNVBAGLBSA-N 0 0 302.280 3.242 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)ccc1F ZINC000015361583 400164555 /nfs/dbraw/zinc/16/45/55/400164555.db2.gz LBYZCYLFSBQZHG-JTQLQIEISA-N 0 0 302.280 3.242 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cccc(NC(C)=O)c1 ZINC000024497446 400220784 /nfs/dbraw/zinc/22/07/84/400220784.db2.gz KMRCADVGIFJVPJ-UHFFFAOYSA-N 0 0 308.381 3.473 10 30 DGEERN CC(=O)c1cccc(C#N)c1OCCCC(=O)OC(C)(C)C ZINC000601099043 400231002 /nfs/dbraw/zinc/23/10/02/400231002.db2.gz PVNFZACYWIQDTQ-UHFFFAOYSA-N 0 0 303.358 3.262 10 30 DGEERN C=C[C@@H]1OCC[C@H]1c1nc(CCn2c(C)nc3ccccc32)no1 ZINC000351086395 400231153 /nfs/dbraw/zinc/23/11/53/400231153.db2.gz HFYKZBZLLHUPEJ-CJNGLKHVSA-N 0 0 324.384 3.029 10 30 DGEERN C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1cccc(C#N)c1 ZINC000610361789 400249154 /nfs/dbraw/zinc/24/91/54/400249154.db2.gz HHXWVKSTENMFBQ-GFCCVEGCSA-N 0 0 318.336 3.099 10 30 DGEERN CC(C)(C)OC(=O)N1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616661181 400195997 /nfs/dbraw/zinc/19/59/97/400195997.db2.gz XTBVDWRBPJOHBS-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCCn1cc(CSCc2cccc3c2CCOC3)nn1 ZINC000601056886 400215903 /nfs/dbraw/zinc/21/59/03/400215903.db2.gz GQTYALRKQZXFHO-UHFFFAOYSA-N 0 0 315.442 3.360 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000610163566 400216896 /nfs/dbraw/zinc/21/68/96/400216896.db2.gz YKCOYMMAKKGGCX-UHFFFAOYSA-N 0 0 323.249 3.436 10 30 DGEERN Cc1cc(N2CC[C@@H](O)C[C@H]2C)n2c3ccccc3nc2c1C#N ZINC000601213997 400264921 /nfs/dbraw/zinc/26/49/21/400264921.db2.gz PARZGSJRBDHINH-ZIAGYGMSSA-N 0 0 320.396 3.017 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1nc(C)ncc1Cl ZINC000097594406 400287322 /nfs/dbraw/zinc/28/73/22/400287322.db2.gz AMTBHRWZPBLVIC-UHFFFAOYSA-N 0 0 315.804 3.309 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000617037715 400287916 /nfs/dbraw/zinc/28/79/16/400287916.db2.gz PXIACMAQUONDPE-AAEUAGOBSA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000617035804 400287957 /nfs/dbraw/zinc/28/79/57/400287957.db2.gz SPHVHJLTZJINAQ-NWDGAFQWSA-N 0 0 315.339 3.153 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000617035806 400287978 /nfs/dbraw/zinc/28/79/78/400287978.db2.gz SPHVHJLTZJINAQ-VXGBXAGGSA-N 0 0 315.339 3.153 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617039153 400288907 /nfs/dbraw/zinc/28/89/07/400288907.db2.gz CYCQTJZXJJLMDL-YOEHRIQHSA-N 0 0 314.429 3.253 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)cc1C ZINC000617040566 400290104 /nfs/dbraw/zinc/29/01/04/400290104.db2.gz WATKTWZCTACUKE-CRAIPNDOSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000617039967 400290132 /nfs/dbraw/zinc/29/01/32/400290132.db2.gz NVAOMBIQNDDUGP-NVXWUHKLSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c(CC)nn(C)c1CC ZINC000617041409 400290303 /nfs/dbraw/zinc/29/03/03/400290303.db2.gz DGPMTXWXLOTPQF-WMLDXEAASA-N 0 0 317.477 3.339 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC000617042419 400291017 /nfs/dbraw/zinc/29/10/17/400291017.db2.gz QYWROXVJQQBQQM-BFYDXBDKSA-N 0 0 301.434 3.005 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnn1CC(F)(F)F ZINC000617043644 400292215 /nfs/dbraw/zinc/29/22/15/400292215.db2.gz CGZXOVJHHYLXHP-NEPJUHHUSA-N 0 0 315.339 3.310 10 30 DGEERN Cc1cccc(CC2CN(c3c(C#N)nnc4ccccc43)C2)c1 ZINC000610716430 400295097 /nfs/dbraw/zinc/29/50/97/400295097.db2.gz MFYGHECJYOIUCA-UHFFFAOYSA-N 0 0 314.392 3.489 10 30 DGEERN Cc1cc(CNC(=O)[C@H](C)Oc2ccccc2C#N)ccc1F ZINC000029066910 400297870 /nfs/dbraw/zinc/29/78/70/400297870.db2.gz SXEGCYNFYHWGCY-ZDUSSCGKSA-N 0 0 312.344 3.090 10 30 DGEERN C=C1CC(C)(C(=O)Nc2nc(C(=O)OC)c(C3CC3)s2)C1 ZINC000601532951 400306049 /nfs/dbraw/zinc/30/60/49/400306049.db2.gz MLYOKFWFRRKNTN-UHFFFAOYSA-N 0 0 306.387 3.102 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000504468355 400306754 /nfs/dbraw/zinc/30/67/54/400306754.db2.gz FCJITNMWQDLGSN-HOCLYGCPSA-N 0 0 314.429 3.296 10 30 DGEERN C=CCC1(C(=O)Nc2nnc(CCC(C)C)s2)CCOCC1 ZINC000617092927 400306875 /nfs/dbraw/zinc/30/68/75/400306875.db2.gz BVLHYBJVXFONPD-UHFFFAOYSA-N 0 0 323.462 3.438 10 30 DGEERN C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccncc1 ZINC000610812015 400310697 /nfs/dbraw/zinc/31/06/97/400310697.db2.gz IJPSXGISHPZRAN-CQSZACIVSA-N 0 0 323.396 3.031 10 30 DGEERN C=CCC[C@@H](NC(=O)c1cscc1Cl)C(=O)OCC ZINC000601620146 400318255 /nfs/dbraw/zinc/31/82/55/400318255.db2.gz IXVGQMAZAVINCX-LLVKDONJSA-N 0 0 301.795 3.029 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000610880342 400319804 /nfs/dbraw/zinc/31/98/04/400319804.db2.gz NSAFMGWAOGXQOF-GFCCVEGCSA-N 0 0 311.307 3.074 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000569598657 400320265 /nfs/dbraw/zinc/32/02/65/400320265.db2.gz WGSSXEVOMHOXIG-ZFWWWQNUSA-N 0 0 313.357 3.054 10 30 DGEERN C=CCCC1(CNC(=O)CCc2cc(OC)no2)CCCC1 ZINC000617417786 400385341 /nfs/dbraw/zinc/38/53/41/400385341.db2.gz GULFSFKHZZCOJR-UHFFFAOYSA-N 0 0 306.406 3.259 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000617417860 400385353 /nfs/dbraw/zinc/38/53/53/400385353.db2.gz JETFZACGBSRALK-AWEZNQCLSA-N 0 0 301.434 3.157 10 30 DGEERN CCOC(=O)[C@](C#N)(Cc1ccccc1)c1cccc(OC)c1 ZINC000114241140 400385430 /nfs/dbraw/zinc/38/54/30/400385430.db2.gz BHYTXTZMRXGJEC-IBGZPJMESA-N 0 0 309.365 3.262 10 30 DGEERN C=CCCC1(CNC(=O)c2ccc3nnn(C)c3c2)CCCC1 ZINC000617416907 400385435 /nfs/dbraw/zinc/38/54/35/400385435.db2.gz CHJODWMCICNWAO-UHFFFAOYSA-N 0 0 312.417 3.225 10 30 DGEERN C=CCCC1(CNC(=O)C[C@H]2CCOC[C@H]2OC)CCCC1 ZINC000617417986 400385487 /nfs/dbraw/zinc/38/54/87/400385487.db2.gz OMPPWVOUWVTMCJ-HZPDHXFCSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCCC1(CNC(=O)C2(C(=O)NC3CC3)CCC2)CCCC1 ZINC000617417211 400385504 /nfs/dbraw/zinc/38/55/04/400385504.db2.gz PSQNDVRZCUCHDT-UHFFFAOYSA-N 0 0 318.461 3.078 10 30 DGEERN C[C@H]1CSC(Nc2ccccc2I)=N1 ZINC000035286985 400388192 /nfs/dbraw/zinc/38/81/92/400388192.db2.gz VPXSPPYXKTUBHC-ZETCQYMHSA-N 0 0 318.183 3.004 10 30 DGEERN C[C@H]1Cc2ccccc2N1C1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000610968380 400330107 /nfs/dbraw/zinc/33/01/07/400330107.db2.gz FUMOCPDSCJDMJF-IRXDYDNUSA-N 0 0 322.456 3.346 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000578878727 400332631 /nfs/dbraw/zinc/33/26/31/400332631.db2.gz FSXPVDQZFGJXHI-GFCCVEGCSA-N 0 0 318.343 3.069 10 30 DGEERN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCCCC[C@@H]1C ZINC000579176289 400335822 /nfs/dbraw/zinc/33/58/22/400335822.db2.gz MDERTCUDPWIDFR-AWEZNQCLSA-N 0 0 314.437 3.024 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000579230243 400337213 /nfs/dbraw/zinc/33/72/13/400337213.db2.gz HBEHGBVZAXPQEB-JQHSSLGASA-N 0 0 314.429 3.263 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000579318274 400337911 /nfs/dbraw/zinc/33/79/11/400337911.db2.gz UWJUOTGAQVCYLK-SFHVURJKSA-N 0 0 316.449 3.129 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2csc(CC)n2)CCOCC1 ZINC000579947828 400343928 /nfs/dbraw/zinc/34/39/28/400343928.db2.gz GTBXHKDSFNQBBN-UHFFFAOYSA-N 0 0 308.447 3.037 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cccc(C[S@](C)=O)c1 ZINC000601746942 400345540 /nfs/dbraw/zinc/34/55/40/400345540.db2.gz FQFGPIDAFCBYOD-NRFANRHFSA-N 0 0 307.459 3.287 10 30 DGEERN C=C(C)C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)OC ZINC000601772824 400347693 /nfs/dbraw/zinc/34/76/93/400347693.db2.gz RHQFIVFFGURXOX-KRWDZBQOSA-N 0 0 311.381 3.006 10 30 DGEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H](CC)C1 ZINC000580940605 400347956 /nfs/dbraw/zinc/34/79/56/400347956.db2.gz ZBLKMMZBLNJHEX-HNNXBMFYSA-N 0 0 311.433 3.461 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc2sccc2c1)C(=O)OC ZINC000601782658 400348458 /nfs/dbraw/zinc/34/84/58/400348458.db2.gz RLFKQGGYXVBICG-CYBMUJFWSA-N 0 0 303.383 3.139 10 30 DGEERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)C3CC3)c21 ZINC000108841941 400348864 /nfs/dbraw/zinc/34/88/64/400348864.db2.gz FZIRTGNAANLTAN-CQSZACIVSA-N 0 0 324.384 3.256 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C(=O)OC ZINC000601783632 400349045 /nfs/dbraw/zinc/34/90/45/400349045.db2.gz CMCQDZRDLLWRHF-RRFJBIMHSA-N 0 0 321.804 3.068 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@H](C)CCc1cccc(F)c1)C(=O)OC ZINC000601783498 400349119 /nfs/dbraw/zinc/34/91/19/400349119.db2.gz WSDUQLYJWWLONI-CZUORRHYSA-N 0 0 321.392 3.018 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1c(Cl)oc2ccccc21)C(=O)OC ZINC000601785231 400349745 /nfs/dbraw/zinc/34/97/45/400349745.db2.gz RFCXKLVEGIOUSO-NSHDSACASA-N 0 0 321.760 3.324 10 30 DGEERN Cc1cccc(CC2CN(C(=O)c3ccc(CC#N)cc3)C2)c1 ZINC000611153205 400351995 /nfs/dbraw/zinc/35/19/95/400351995.db2.gz FISCVJFBLFLLAS-UHFFFAOYSA-N 0 0 304.393 3.376 10 30 DGEERN C=C(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000115106684 400392962 /nfs/dbraw/zinc/39/29/62/400392962.db2.gz WZAPMKYCDNQBOC-UHFFFAOYSA-N 0 0 310.349 3.420 10 30 DGEERN N#Cc1ccc(N2CCCC[C@@H]2c2ccc(F)cc2F)nn1 ZINC000611242178 400362991 /nfs/dbraw/zinc/36/29/91/400362991.db2.gz UIFYNHXUOOXXSJ-OAHLLOKOSA-N 0 0 300.312 3.358 10 30 DGEERN CCc1cc(NC(=O)CCCCOc2cccc(C#N)c2)n[nH]1 ZINC000111582171 400366175 /nfs/dbraw/zinc/36/61/75/400366175.db2.gz IWKAJEDCAMBBLU-UHFFFAOYSA-N 0 0 312.373 3.032 10 30 DGEERN N#Cc1ccc(-c2cc(NCc3ccccc3)nc(N)n2)cc1F ZINC000115838575 400402541 /nfs/dbraw/zinc/40/25/41/400402541.db2.gz ULLMOEKIZFXLNB-UHFFFAOYSA-N 0 0 319.343 3.349 10 30 DGEERN CC1(C#N)CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 ZINC000611561282 400422453 /nfs/dbraw/zinc/42/24/53/400422453.db2.gz KXINGNNNWJKYGV-UHFFFAOYSA-N 0 0 300.377 3.400 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C(=O)OC)nc2)CCCCC1 ZINC000590718990 400422616 /nfs/dbraw/zinc/42/26/16/400422616.db2.gz XZWCBIFYKJWTLH-UHFFFAOYSA-N 0 0 302.374 3.333 10 30 DGEERN CC(C)OC1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000611563024 400422657 /nfs/dbraw/zinc/42/26/57/400422657.db2.gz QIEXPAQLWZSMDA-UHFFFAOYSA-N 0 0 307.438 3.058 10 30 DGEERN C=CCN(C(=O)Cc1c[nH]c2c1cccc2CC)[C@@H](C)COC ZINC000617578556 400416401 /nfs/dbraw/zinc/41/64/01/400416401.db2.gz MJTYZQKAEWEDOZ-AWEZNQCLSA-N 0 0 314.429 3.322 10 30 DGEERN CCC[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccn1 ZINC000611544047 400418985 /nfs/dbraw/zinc/41/89/85/400418985.db2.gz VBOOXPBFNKHKAC-HNNXBMFYSA-N 0 0 300.406 3.258 10 30 DGEERN C=CCN(C(=O)c1ocnc1-c1ccccc1)[C@@H](C)COC ZINC000617583068 400419155 /nfs/dbraw/zinc/41/91/55/400419155.db2.gz AFLKZIQHQXCGCA-ZDUSSCGKSA-N 0 0 300.358 3.005 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](OCC)C(C)C ZINC000602250815 400430352 /nfs/dbraw/zinc/43/03/52/400430352.db2.gz GOYNDOQXUIGRSM-MRXNPFEDSA-N 0 0 320.389 3.171 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000602285190 400434345 /nfs/dbraw/zinc/43/43/45/400434345.db2.gz HNHFJPIZEWTXFI-VVYDWRJNSA-N 0 0 320.458 3.093 10 30 DGEERN C=CCOc1ccc(CN2CCCCC[C@@H]2C(=O)OC)cc1 ZINC000611606432 400428031 /nfs/dbraw/zinc/42/80/31/400428031.db2.gz OTZHKTMJOOTADW-QGZVFWFLSA-N 0 0 303.402 3.169 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)Cc2c(C)nn(CC3CC3)c2C)C1 ZINC000617777362 400451204 /nfs/dbraw/zinc/45/12/04/400451204.db2.gz NEKDLLFMRSTXON-INIZCTEOSA-N 0 0 315.461 3.267 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)C1 ZINC000617778502 400452110 /nfs/dbraw/zinc/45/21/10/400452110.db2.gz HWLIIRMBMOJEPL-MRXNPFEDSA-N 0 0 309.413 3.429 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccsc1C(F)(F)F)C(=O)OC ZINC000602413270 400455849 /nfs/dbraw/zinc/45/58/49/400455849.db2.gz KUGXTDNGHISPDU-VIFPVBQESA-N 0 0 321.320 3.005 10 30 DGEERN Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)ncc1C#N ZINC000590902436 400457433 /nfs/dbraw/zinc/45/74/33/400457433.db2.gz YKUYOAMADXKGQA-GOSISDBHSA-N 0 0 322.412 3.358 10 30 DGEERN N#Cc1ccc(NC(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000045029566 400509250 /nfs/dbraw/zinc/50/92/50/400509250.db2.gz KTRPLMUDZDQIIC-UHFFFAOYSA-N 0 0 317.352 3.066 10 30 DGEERN CCC1CCC(NC(=O)COc2ccc(C#N)cc2OC)CC1 ZINC000073724115 400466513 /nfs/dbraw/zinc/46/65/13/400466513.db2.gz KVYIVVMGNJOHPR-UHFFFAOYSA-N 0 0 316.401 3.031 10 30 DGEERN C=CCN(Cc1cc(C)c(C(=O)OC)[nH]1)Cc1cccc(C#N)c1 ZINC000602457043 400468219 /nfs/dbraw/zinc/46/82/19/400468219.db2.gz YTFZVFJTSLKONF-UHFFFAOYSA-N 0 0 323.396 3.170 10 30 DGEERN C[C@@]1(C#N)CCCN(C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000612036488 400476553 /nfs/dbraw/zinc/47/65/53/400476553.db2.gz CEWILVDENMPYQC-NSHDSACASA-N 0 0 318.324 3.319 10 30 DGEERN C[C@H](CC(=O)NC(C)(C)C#N)c1ccc(Br)cc1 ZINC000125538361 400483057 /nfs/dbraw/zinc/48/30/57/400483057.db2.gz RIMFGHIKLUPGGU-SNVBAGLBSA-N 0 0 309.207 3.361 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2C)C12CCCC2 ZINC000126341491 400491545 /nfs/dbraw/zinc/49/15/45/400491545.db2.gz BRPPQXDPLBXELL-DLBZAZTESA-N 0 0 312.413 3.334 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000126930647 400497042 /nfs/dbraw/zinc/49/70/42/400497042.db2.gz FSWRKFJLMQBZAV-CQSZACIVSA-N 0 0 321.490 3.102 10 30 DGEERN CC(C)(C)[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000612372730 400533196 /nfs/dbraw/zinc/53/31/96/400533196.db2.gz YKCCYCJHRCOQHQ-CQSZACIVSA-N 0 0 303.381 3.275 10 30 DGEERN C=CCN(CCC#N)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602672924 400533713 /nfs/dbraw/zinc/53/37/13/400533713.db2.gz RVGAHNAJXBENDD-UHFFFAOYSA-N 0 0 312.339 3.140 10 30 DGEERN CC[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1nccs1 ZINC000130916748 400544434 /nfs/dbraw/zinc/54/44/34/400544434.db2.gz QNKVFNJANMMRGF-CYBMUJFWSA-N 0 0 317.439 3.374 10 30 DGEERN C=CCC1(NC(=O)c2sc(C(C)C)nc2C)CCOCC1 ZINC000618246238 400549155 /nfs/dbraw/zinc/54/91/55/400549155.db2.gz ANIUMQOQHPQGTQ-UHFFFAOYSA-N 0 0 308.447 3.430 10 30 DGEERN C=CCC1(NC(=O)c2sc([C@H](C)OC)nc2C)CCOCC1 ZINC000618248560 400550597 /nfs/dbraw/zinc/55/05/97/400550597.db2.gz LYWDQBVRHUHSSQ-LBPRGKRZSA-N 0 0 324.446 3.014 10 30 DGEERN C=C(C)C[C@@H](NC/C(C)=C\c1ccccc1COC)C(=O)OC ZINC000602733044 400556997 /nfs/dbraw/zinc/55/69/97/400556997.db2.gz HDKVYDDHEPYDEE-VHUCWBOISA-N 0 0 317.429 3.334 10 30 DGEERN C=C(C)C[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000602733859 400557018 /nfs/dbraw/zinc/55/70/18/400557018.db2.gz LUDAYKHGMQMQFP-ZFWWWQNUSA-N 0 0 320.389 3.013 10 30 DGEERN C=C(C)C[C@@H](NCc1cccc(-c2cccnc2)c1)C(=O)OC ZINC000602733315 400557216 /nfs/dbraw/zinc/55/72/16/400557216.db2.gz HEKTTYRILXXXGT-GOSISDBHSA-N 0 0 310.397 3.346 10 30 DGEERN C=C(C)C[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)OC ZINC000602734586 400557355 /nfs/dbraw/zinc/55/73/55/400557355.db2.gz PNHZAEKXLNWJBX-CQSZACIVSA-N 0 0 316.426 3.408 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000618293940 400564070 /nfs/dbraw/zinc/56/40/70/400564070.db2.gz DIBGEHRDZMRSQI-ICSRJNTNSA-N 0 0 313.441 3.500 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@](O)(C2CC2)C1)c1ccccc1 ZINC000618293942 400564328 /nfs/dbraw/zinc/56/43/28/400564328.db2.gz DIBGEHRDZMRSQI-UYAOXDASSA-N 0 0 313.441 3.500 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc2ccsc21 ZINC000612867487 400619338 /nfs/dbraw/zinc/61/93/38/400619338.db2.gz AQHAGJHQWFSDCH-AWEZNQCLSA-N 0 0 302.399 3.311 10 30 DGEERN O=C1C=CC(=CCc2cc(C=Cc3ccc(O)cc3)on2)C=C1 ZINC000141278759 400624643 /nfs/dbraw/zinc/62/46/43/400624643.db2.gz RTLQTKMEHLDPJT-YVXIVEBUSA-N 0 0 305.333 3.330 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603115894 400643397 /nfs/dbraw/zinc/64/33/97/400643397.db2.gz MIOVVNAOHHYYQW-CWRNSKLLSA-N 0 0 316.401 3.439 10 30 DGEERN O=C1NC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1 ZINC000144065467 400639471 /nfs/dbraw/zinc/63/94/71/400639471.db2.gz OSCYBWPPJTYYJD-UHFFFAOYSA-N 0 0 317.392 3.324 10 30 DGEERN CCO[C@@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)[C@@]12CCCO2 ZINC000612664315 400583125 /nfs/dbraw/zinc/58/31/25/400583125.db2.gz GOPXXAOMODIPCP-LMMKCTJWSA-N 0 0 323.396 3.245 10 30 DGEERN N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cncs3)no2)cc1 ZINC000618421757 400588921 /nfs/dbraw/zinc/58/89/21/400588921.db2.gz FTQZUOJDRMWSEI-CYBMUJFWSA-N 0 0 323.381 3.406 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1OC ZINC000618506794 400605651 /nfs/dbraw/zinc/60/56/51/400605651.db2.gz 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NNCONQTZWKKGNY-KPENOIPVSA-N 0 0 313.468 3.339 10 30 DGEERN C=CCCCN(C)c1nnc(CC(F)(F)F)n1CC1CC1 ZINC000613046235 400647201 /nfs/dbraw/zinc/64/72/01/400647201.db2.gz DETGBFVSMAYWDL-UHFFFAOYSA-N 0 0 302.344 3.195 10 30 DGEERN COCc1cncc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000613174997 400667020 /nfs/dbraw/zinc/66/70/20/400667020.db2.gz PXDGTICZVURPSQ-UHFFFAOYSA-N 0 0 301.733 3.005 10 30 DGEERN C=C(CNC(=O)C(C)(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000592631634 400676781 /nfs/dbraw/zinc/67/67/81/400676781.db2.gz LDHXOBFNNGVIBV-UHFFFAOYSA-N 0 0 303.402 3.184 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000076954622 400681568 /nfs/dbraw/zinc/68/15/68/400681568.db2.gz LXZFIZANWUSSRV-OAHLLOKOSA-N 0 0 315.421 3.034 10 30 DGEERN C=CCCC(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000618769871 400685330 /nfs/dbraw/zinc/68/53/30/400685330.db2.gz CCENGQORSZGMRS-AWEZNQCLSA-N 0 0 324.218 3.315 10 30 DGEERN N#C[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000159687754 400731490 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310.401 3.260 10 30 DGEERN N#CCc1cccc(C(F)(F)F)c1I ZINC000238573071 400999204 /nfs/dbraw/zinc/99/92/04/400999204.db2.gz MVLSAYWHPZFVAM-UHFFFAOYSA-N 0 0 311.044 3.376 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624970949 400999475 /nfs/dbraw/zinc/99/94/75/400999475.db2.gz FYMSKXZYZJSMLF-HZPDHXFCSA-N 0 0 320.481 3.040 10 30 DGEERN C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC000624985210 401002357 /nfs/dbraw/zinc/00/23/57/401002357.db2.gz RVIYFIKITYEHIZ-GBJTYRQASA-N 0 0 322.428 3.279 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000594152445 401007235 /nfs/dbraw/zinc/00/72/35/401007235.db2.gz UPLWCHPQBWMWAR-NSHDSACASA-N 0 0 305.378 3.123 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000629519435 400955914 /nfs/dbraw/zinc/95/59/14/400955914.db2.gz RUKUVOWZJVZEEG-QWHCGFSZSA-N 0 0 316.401 3.076 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)CCCCC#N)cc1)[C@H]1C[C@@H]1C ZINC000594038371 400958711 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C=CCN(C(=O)C1CCc2ccccc2CC1)[C@@H](C)COC ZINC000628054795 401517443 /nfs/dbraw/zinc/51/74/43/401517443.db2.gz FKYUNCKJWCGVSW-HNNXBMFYSA-N 0 0 301.430 3.231 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000623472489 401525421 /nfs/dbraw/zinc/52/54/21/401525421.db2.gz QCVHJFRTWBIMDW-IAGOWNOFSA-N 0 0 313.445 3.121 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000631658131 401526276 /nfs/dbraw/zinc/52/62/76/401526276.db2.gz COBGSFXPCGVGBY-AWEZNQCLSA-N 0 0 304.821 3.391 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000623483532 401529320 /nfs/dbraw/zinc/52/93/20/401529320.db2.gz JRJXCYKNGWSTOA-GFCCVEGCSA-N 0 0 315.417 3.144 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc(Br)c1 ZINC000628142568 401532635 /nfs/dbraw/zinc/53/26/35/401532635.db2.gz IWVXEHJFMWSOKY-BETUJISGSA-N 0 0 322.202 3.478 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCCCOc2ccc(OC)cc2)C1 ZINC000623498540 401533071 /nfs/dbraw/zinc/53/30/71/401533071.db2.gz 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ZINC000628315905 401575181 /nfs/dbraw/zinc/57/51/81/401575181.db2.gz AWYCQRLRDBNUHM-UHFFFAOYSA-N 0 0 305.418 3.320 10 30 DGEERN C=CC(C)(C)CCNC(=O)Cc1c[nH]c2ccc(OC)cc12 ZINC000628317293 401575568 /nfs/dbraw/zinc/57/55/68/401575568.db2.gz DANNJRTVUXZWHJ-UHFFFAOYSA-N 0 0 300.402 3.438 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2COc3c2cccc3Cl)C1 ZINC000623749851 401575597 /nfs/dbraw/zinc/57/55/97/401575597.db2.gz RECKOVDWRIGACG-RISCZKNCSA-N 0 0 306.793 3.381 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000628318519 401575782 /nfs/dbraw/zinc/57/57/82/401575782.db2.gz JAZJHSGAPOSOTI-UHFFFAOYSA-N 0 0 307.390 3.045 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@@H](CO)C[C@H]1C)c1ccccc1 ZINC000623786238 401579722 /nfs/dbraw/zinc/57/97/22/401579722.db2.gz AGVOLWZXCRWLMD-JFIYKMOQSA-N 0 0 316.445 3.496 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000623829181 401584515 /nfs/dbraw/zinc/58/45/15/401584515.db2.gz ZRLSJJPMKDIHHL-ZDUSSCGKSA-N 0 0 319.474 3.172 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cn(CCCC)nc2C)C1 ZINC000623848029 401587108 /nfs/dbraw/zinc/58/71/08/401587108.db2.gz CEKNAMJPINLOQV-HNNXBMFYSA-N 0 0 304.438 3.099 10 30 DGEERN C=CCOCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000623870591 401590801 /nfs/dbraw/zinc/59/08/01/401590801.db2.gz GARWONJQPPXGRG-INIZCTEOSA-N 0 0 320.408 3.306 10 30 DGEERN C=CC[C@@H]1CCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000628405817 401591999 /nfs/dbraw/zinc/59/19/99/401591999.db2.gz VOOHJTVMTJJYNI-GFCCVEGCSA-N 0 0 320.234 3.495 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H](CCOC)Cc1ccco1 ZINC000623877488 401592370 /nfs/dbraw/zinc/59/23/70/401592370.db2.gz CUKMCWYKLAWMSV-CQSZACIVSA-N 0 0 308.422 3.129 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2ccn(-c3ccccc3)n2)C1 ZINC000623536413 401541857 /nfs/dbraw/zinc/54/18/57/401541857.db2.gz UUOLCHPIBGUTBG-INIZCTEOSA-N 0 0 324.428 3.022 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccc(F)c(COC)c1 ZINC000623584561 401550637 /nfs/dbraw/zinc/55/06/37/401550637.db2.gz JTNAIFDFWDMWNK-UHFFFAOYSA-N 0 0 308.397 3.374 10 30 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/nfs/dbraw/zinc/64/64/59/401646459.db2.gz JOUIATCJVMBKIK-UHFFFAOYSA-N 0 0 313.344 3.112 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(Cl)c(O)c(OCC)c2)C1 ZINC000628483796 401606468 /nfs/dbraw/zinc/60/64/68/401606468.db2.gz WSJKCVTVTBTVLT-NSHDSACASA-N 0 0 309.793 3.483 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)CC(=O)c2ccccc2F)C1 ZINC000628487623 401606595 /nfs/dbraw/zinc/60/65/95/401606595.db2.gz JFHWZOCJXIVVSU-KBPBESRZSA-N 0 0 303.377 3.459 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000628486409 401606675 /nfs/dbraw/zinc/60/66/75/401606675.db2.gz HVUKHIVGYGMITB-GFCCVEGCSA-N 0 0 308.219 3.416 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCCOCCc2ccccc2)C1 ZINC000628486995 401606691 /nfs/dbraw/zinc/60/66/91/401606691.db2.gz VQMYBKIVHJCKQD-GOSISDBHSA-N 0 0 301.430 3.451 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C1 ZINC000628487612 401606799 /nfs/dbraw/zinc/60/67/99/401606799.db2.gz JCKYQQBZDXEJKJ-ZDUSSCGKSA-N 0 0 300.402 3.094 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000628489070 401607122 /nfs/dbraw/zinc/60/71/22/401607122.db2.gz OLZVYXPQUJZWOF-UONOGXRCSA-N 0 0 303.377 3.459 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)cn2)C1 ZINC000628490612 401607173 /nfs/dbraw/zinc/60/71/73/401607173.db2.gz CDITYKUEVJEYBT-NSHDSACASA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000628492131 401607577 /nfs/dbraw/zinc/60/75/77/401607577.db2.gz OLXPYADKCVUURH-FCCDEINASA-N 0 0 321.461 3.165 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)C1 ZINC000628491447 401607661 /nfs/dbraw/zinc/60/76/61/401607661.db2.gz YRQLBDYLATZZQK-AWEZNQCLSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000628492389 401607724 /nfs/dbraw/zinc/60/77/24/401607724.db2.gz TUUUBBNKWUOABE-NVXWUHKLSA-N 0 0 309.413 3.356 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cn2c(C)nc3cc(F)c(F)cc32)C1 ZINC000628492517 401607860 /nfs/dbraw/zinc/60/78/60/401607860.db2.gz WJJSBMMAPMTPCW-LBPRGKRZSA-N 0 0 319.355 3.048 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(C)n([C@H]3CCCOC3)c2C)C1 ZINC000628494787 401608182 /nfs/dbraw/zinc/60/81/82/401608182.db2.gz YXPLLKQBXJAZTN-SJORKVTESA-N 0 0 316.445 3.495 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)C1 ZINC000628494024 401608354 /nfs/dbraw/zinc/60/83/54/401608354.db2.gz CVHZNHHIWSFCFZ-LLVKDONJSA-N 0 0 323.318 3.391 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632544882 401613456 /nfs/dbraw/zinc/61/34/56/401613456.db2.gz PCQHRPVDRNGBAP-AGIUHOORSA-N 0 0 307.406 3.086 10 30 DGEERN C=CCN(C)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C ZINC000632569783 401614933 /nfs/dbraw/zinc/61/49/33/401614933.db2.gz CEYKLBAYXTVMRA-UHFFFAOYSA-N 0 0 323.318 3.458 10 30 DGEERN C=CCCC1(CNC(=O)N2CCO[C@@H](CCF)C2)CCCC1 ZINC000624340133 401652994 /nfs/dbraw/zinc/65/29/94/401652994.db2.gz YTHIKWGXAXISOF-HNNXBMFYSA-N 0 0 312.429 3.283 10 30 DGEERN C=CCOCCCNC(=O)NCc1c(Cl)oc2ccccc21 ZINC000624368364 401655781 /nfs/dbraw/zinc/65/57/81/401655781.db2.gz MOFZVXYKYXXTKS-UHFFFAOYSA-N 0 0 322.792 3.478 10 30 DGEERN C=CCOCCCNC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000624368662 401655794 /nfs/dbraw/zinc/65/57/94/401655794.db2.gz VEXDDRNAYJTYEP-HNNXBMFYSA-N 0 0 308.809 3.219 10 30 DGEERN C=CCCC(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629009065 401656618 /nfs/dbraw/zinc/65/66/18/401656618.db2.gz FDIMQKGZDCHJDN-UHFFFAOYSA-N 0 0 303.406 3.084 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000624376189 401656653 /nfs/dbraw/zinc/65/66/53/401656653.db2.gz KOXQDHNXSCMZSG-HOTGVXAUSA-N 0 0 318.465 3.033 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)C1CCCCC1 ZINC000628981476 401653202 /nfs/dbraw/zinc/65/32/02/401653202.db2.gz PBGGDWDKYYNPGD-WMLDXEAASA-N 0 0 308.466 3.132 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000624461958 401662177 /nfs/dbraw/zinc/66/21/77/401662177.db2.gz YQVTWZKRZJVWGB-UHFFFAOYSA-N 0 0 306.454 3.190 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000624460263 401662262 /nfs/dbraw/zinc/66/22/62/401662262.db2.gz RLAYRJXQMAEJAA-HDICACEKSA-N 0 0 306.450 3.191 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCc2cc(OC)ccc2C1 ZINC000624460351 401662435 /nfs/dbraw/zinc/66/24/35/401662435.db2.gz UPZOCXRRFVRBOG-UHFFFAOYSA-N 0 0 302.418 3.365 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C ZINC000624464689 401662534 /nfs/dbraw/zinc/66/25/34/401662534.db2.gz LAEJPXKQFIAMPG-AWEZNQCLSA-N 0 0 304.438 3.475 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000624464473 401662579 /nfs/dbraw/zinc/66/25/79/401662579.db2.gz ANUZQLNHDNKGNF-MRXNPFEDSA-N 0 0 318.417 3.077 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)[C@H](COC)Cc1ccccc1 ZINC000624464313 401662611 /nfs/dbraw/zinc/66/26/11/401662611.db2.gz VBFMSOXGRSGDTR-KRWDZBQOSA-N 0 0 318.461 3.488 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000624465154 401662971 /nfs/dbraw/zinc/66/29/71/401662971.db2.gz GIICJUVVIRGQOP-AWEZNQCLSA-N 0 0 308.447 3.433 10 30 DGEERN C=CCn1c(SCC2CC(C)(C)C2)nnc1-c1cnccn1 ZINC000629161690 401670612 /nfs/dbraw/zinc/67/06/12/401670612.db2.gz FNDXTMLDWDKHAU-UHFFFAOYSA-N 0 0 315.446 3.449 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000633305564 401670941 /nfs/dbraw/zinc/67/09/41/401670941.db2.gz REKSOQYNSMBGEC-UHFFFAOYSA-N 0 0 314.433 3.221 10 30 DGEERN C=CC(C)(C)CNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000633310206 401671527 /nfs/dbraw/zinc/67/15/27/401671527.db2.gz WKSLNMTVCJXFCX-UHFFFAOYSA-N 0 0 317.355 3.274 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCn2nccc21 ZINC000633311638 401671846 /nfs/dbraw/zinc/67/18/46/401671846.db2.gz NLIIEFJBYJIQNS-DLBZAZTESA-N 0 0 324.428 3.205 10 30 DGEERN C=C(C)CCc1noc(Cn2cc(C)c(C(F)(F)F)n2)n1 ZINC000624607234 401675323 /nfs/dbraw/zinc/67/53/23/401675323.db2.gz KJPYUVFMEGTPKF-UHFFFAOYSA-N 0 0 300.284 3.150 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1nccc(OC)c1F ZINC000633354951 401675420 /nfs/dbraw/zinc/67/54/20/401675420.db2.gz XUNKLLKQDVJSPW-UHFFFAOYSA-N 0 0 309.385 3.021 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)C1 ZINC000633355705 401675805 /nfs/dbraw/zinc/67/58/05/401675805.db2.gz ZCKUAOPFEQHZFQ-GFCCVEGCSA-N 0 0 313.401 3.193 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1cc2cccc(Cl)c2nc1C ZINC000633362103 401676407 /nfs/dbraw/zinc/67/64/07/401676407.db2.gz SKNRDWUQIQRDGT-CYBMUJFWSA-N 0 0 318.804 3.254 10 30 DGEERN Cc1ccc([C@@H]2CSCCN2C(=O)c2ccnc(C#N)c2)cc1 ZINC000193284368 292225050 /nfs/dbraw/zinc/22/50/50/292225050.db2.gz KKNIBDMOSWKCIA-KRWDZBQOSA-N 0 0 323.421 3.192 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)cc1F ZINC000057384486 286354599 /nfs/dbraw/zinc/35/45/99/286354599.db2.gz NWQDXPWYKVBZDV-GFCCVEGCSA-N 0 0 304.365 3.486 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)c3sccc3C#N)C2)n1 ZINC000173585333 164700074 /nfs/dbraw/zinc/70/00/74/164700074.db2.gz RDQNTRVKVWCXTQ-LBPRGKRZSA-N 0 0 317.439 3.405 10 30 DGEERN CCOc1cccnc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000175998292 164771629 /nfs/dbraw/zinc/77/16/29/164771629.db2.gz DLJQCLCYUFLSET-UHFFFAOYSA-N 0 0 301.733 3.258 10 30 DGEERN N#Cc1c(Cl)nsc1NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000180964977 164898905 /nfs/dbraw/zinc/89/89/05/164898905.db2.gz QBEYQKPJXFZLNO-VIFPVBQESA-N 0 0 318.789 3.206 10 30 DGEERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(C#N)cn3C)C2)c1 ZINC000182434037 164937654 /nfs/dbraw/zinc/93/76/54/164937654.db2.gz DQUSULRLZUZLHB-MRXNPFEDSA-N 0 0 307.397 3.143 10 30 DGEERN CCC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccnc1 ZINC000186002246 165023990 /nfs/dbraw/zinc/02/39/90/165023990.db2.gz SKKMKYHSRHASQZ-QGZVFWFLSA-N 0 0 318.384 3.487 10 30 DGEERN Cc1nc(C)c([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000186021106 165025148 /nfs/dbraw/zinc/02/51/48/165025148.db2.gz SSIYNIUAPZXNJN-LLVKDONJSA-N 0 0 324.413 3.385 10 30 DGEERN C[C@@H](CCc1ccco1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186020795 165025623 /nfs/dbraw/zinc/02/56/23/165025623.db2.gz FPFQJQWVOIXGPH-ZDUSSCGKSA-N 0 0 307.357 3.165 10 30 DGEERN Cc1cc(OCc2nc(-c3ccccc3F)no2)c(C#N)c(C)n1 ZINC000186777909 165059465 /nfs/dbraw/zinc/05/94/65/165059465.db2.gz OQTUKAZLDNZKQL-UHFFFAOYSA-N 0 0 324.315 3.338 10 30 DGEERN Cc1cc2nnc(SCc3ccc(C#N)c(F)c3)n2c(C)n1 ZINC000187884094 165105186 /nfs/dbraw/zinc/10/51/86/165105186.db2.gz WNOUTIJYBRXHOJ-UHFFFAOYSA-N 0 0 313.361 3.044 10 30 DGEERN C[C@@H](Cc1ccccc1F)Nc1cnn(-c2ncccc2C#N)c1 ZINC000188466213 165125079 /nfs/dbraw/zinc/12/50/79/165125079.db2.gz XDGVSLBHHXGZPB-ZDUSSCGKSA-N 0 0 321.359 3.321 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000189087122 165148662 /nfs/dbraw/zinc/14/86/62/165148662.db2.gz UAYULAHDZKIDFV-LLVKDONJSA-N 0 0 315.373 3.174 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000190484784 165205161 /nfs/dbraw/zinc/20/51/61/165205161.db2.gz INCPWQMVSOENKT-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)cc1F ZINC000190898365 165220476 /nfs/dbraw/zinc/22/04/76/165220476.db2.gz OHJOZJNYGYMJFV-UHFFFAOYSA-N 0 0 323.776 3.466 10 30 DGEERN N#Cc1ccc(CSc2nncn2CC(F)(F)F)cc1F ZINC000191008554 165225347 /nfs/dbraw/zinc/22/53/47/165225347.db2.gz OICXMDYFELNDAO-UHFFFAOYSA-N 0 0 316.283 3.143 10 30 DGEERN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccnc(C#N)c1 ZINC000192500850 165295079 /nfs/dbraw/zinc/29/50/79/165295079.db2.gz GRWYEKGXVYDKPU-UHFFFAOYSA-N 0 0 319.286 3.244 10 30 DGEERN CN(Cc1csc2ccccc12)C(=O)c1ccnc(C#N)c1 ZINC000192708949 165304779 /nfs/dbraw/zinc/30/47/79/165304779.db2.gz PHMLIGPXBYZBAR-UHFFFAOYSA-N 0 0 307.378 3.440 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)ccn1 ZINC000192817186 165308320 /nfs/dbraw/zinc/30/83/20/165308320.db2.gz RWZIOCWRFRZZHX-UHFFFAOYSA-N 0 0 300.321 3.268 10 30 DGEERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000192940493 165311006 /nfs/dbraw/zinc/31/10/06/165311006.db2.gz OZOMGFKJYVPUHC-AWEZNQCLSA-N 0 0 307.397 3.439 10 30 DGEERN Cc1c(Br)cccc1NC(=O)c1ccnc(C#N)c1 ZINC000193084966 165316191 /nfs/dbraw/zinc/31/61/91/165316191.db2.gz JKBFDBUXYXMROZ-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)ccn1 ZINC000193109892 165318123 /nfs/dbraw/zinc/31/81/23/165318123.db2.gz APFKNKNBLLPXGX-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)cc1Cl ZINC000193302056 165322797 /nfs/dbraw/zinc/32/27/97/165322797.db2.gz KVIUBDOEVFFAKN-VIFPVBQESA-N 0 0 303.724 3.237 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)ccn1 ZINC000193466809 165327210 /nfs/dbraw/zinc/32/72/10/165327210.db2.gz GXAFQZJXWDCCDO-UHFFFAOYSA-N 0 0 304.309 3.224 10 30 DGEERN N#Cc1cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)ccn1 ZINC000193710590 165328656 /nfs/dbraw/zinc/32/86/56/165328656.db2.gz WMLIJKLGAUNJCH-UHFFFAOYSA-N 0 0 313.307 3.041 10 30 DGEERN CCN(C(=O)c1ccnc(C#N)c1)c1ccc(C#N)c(Cl)c1 ZINC000193714440 165329459 /nfs/dbraw/zinc/32/94/59/165329459.db2.gz UMPHJANMDUSHHN-UHFFFAOYSA-N 0 0 310.744 3.145 10 30 DGEERN CC(C)(NC(=O)c1ccnc(C#N)c1)c1cccc(Cl)c1F ZINC000193856602 165333182 /nfs/dbraw/zinc/33/31/82/165333182.db2.gz JTXBYLAYSYXCGG-UHFFFAOYSA-N 0 0 317.751 3.411 10 30 DGEERN CC[C@]1(C)Oc2ccc(NC(=O)c3ccnc(C#N)c3)cc2O1 ZINC000194211508 165339342 /nfs/dbraw/zinc/33/93/42/165339342.db2.gz RKRLCIRBQHPTPV-QGZVFWFLSA-N 0 0 309.325 3.103 10 30 DGEERN N#Cc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000194844637 165356846 /nfs/dbraw/zinc/35/68/46/165356846.db2.gz SVGTWDSESABTQT-UHFFFAOYSA-N 0 0 315.376 3.167 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000247164709 165568089 /nfs/dbraw/zinc/56/80/89/165568089.db2.gz ZOZGZZHRFJMYMQ-HOSILWTGSA-N 0 0 300.402 3.266 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc([N+](=O)[O-])c1 ZINC000129394997 196044699 /nfs/dbraw/zinc/04/46/99/196044699.db2.gz CSMMEQWCGWBJLS-UHFFFAOYSA-N 0 0 319.324 3.082 10 30 DGEERN C=CC1CCN(C(=O)Nc2ccc(OC)c(OC)c2OC)CC1 ZINC000171893142 432182518 /nfs/dbraw/zinc/18/25/18/432182518.db2.gz YYYCSOZOCOHXRO-UHFFFAOYSA-N 0 0 320.389 3.142 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171988737 432189506 /nfs/dbraw/zinc/18/95/06/432189506.db2.gz OVYLKXVEDIMMAO-WMZOPIPTSA-N 0 0 314.429 3.021 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000172062633 432194807 /nfs/dbraw/zinc/19/48/07/432194807.db2.gz XZHHGZMXEYKDFK-KPZWWZAWSA-N 0 0 322.364 3.460 10 30 DGEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1-c1ncco1 ZINC000130551347 196089687 /nfs/dbraw/zinc/08/96/87/196089687.db2.gz GPFWNMZFTHJQJB-UHFFFAOYSA-N 0 0 306.325 3.113 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C(C)C ZINC000172504269 432218396 /nfs/dbraw/zinc/21/83/96/432218396.db2.gz UNCXSBZSGRAXDH-HNNXBMFYSA-N 0 0 317.433 3.008 10 30 DGEERN COc1cccc([C@H]2CN(Cc3ccc(C#N)s3)CCO2)c1 ZINC000131667272 196190379 /nfs/dbraw/zinc/19/03/79/196190379.db2.gz YYJLHXHKVOFIBQ-QGZVFWFLSA-N 0 0 314.410 3.202 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000134110076 196362356 /nfs/dbraw/zinc/36/23/56/196362356.db2.gz QEERSOXKWLZTAG-SJORKVTESA-N 0 0 312.413 3.368 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000134151789 196365642 /nfs/dbraw/zinc/36/56/42/196365642.db2.gz FJODGZPLBYDJBJ-SWLSCSKDSA-N 0 0 314.410 3.170 10 30 DGEERN Cc1[nH]nc2ncc(NC(=O)C[C@@H]3CCCCC(=O)N3)cc12 ZINC000328675579 533680168 /nfs/dbraw/zinc/68/01/68/533680168.db2.gz QXAILSBLHGNEPP-JTQLQIEISA-N 0 0 301.350 3.144 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1COc2ccccc21 ZINC000153207164 227081031 /nfs/dbraw/zinc/08/10/31/227081031.db2.gz RPUAKQLPVWZGGR-CXAGYDPISA-N 0 0 321.380 3.439 10 30 DGEERN CC1(C)CN(c2cccnc2C#N)C[C@H](COc2ccccc2)O1 ZINC000291160986 222182784 /nfs/dbraw/zinc/18/27/84/222182784.db2.gz PYBSTWJASBXGMI-MRXNPFEDSA-N 0 0 323.396 3.016 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000161736888 228254223 /nfs/dbraw/zinc/25/42/23/228254223.db2.gz DPLKHBCCWDFPOH-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000162288778 228257320 /nfs/dbraw/zinc/25/73/20/228257320.db2.gz RFESDBMFBWGUGI-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000162219749 228257457 /nfs/dbraw/zinc/25/74/57/228257457.db2.gz FKDDLXUHMNZQFA-UHFFFAOYSA-N 0 0 321.380 3.257 10 30 DGEERN N#CCCCCNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000170884729 228268923 /nfs/dbraw/zinc/26/89/23/228268923.db2.gz WHOYHZOGDGAAAL-QGZVFWFLSA-N 0 0 308.385 3.164 10 30 DGEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NCCCCC#N)C2)cc1 ZINC000172375147 228276409 /nfs/dbraw/zinc/27/64/09/228276409.db2.gz FRRXLEKXPLNGQF-HOCLYGCPSA-N 0 0 315.417 3.276 10 30 DGEERN N#CC1(C(=O)N2CCC(Nc3ccccc3F)CC2)CCCC1 ZINC000174067802 228286560 /nfs/dbraw/zinc/28/65/60/228286560.db2.gz YDYZLLFGRKGSEQ-UHFFFAOYSA-N 0 0 315.392 3.313 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1Cl ZINC000175671956 228304078 /nfs/dbraw/zinc/30/40/78/228304078.db2.gz SWYIIKQXHOVYPL-VXGBXAGGSA-N 0 0 324.833 3.022 10 30 DGEERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C#N)cn1C ZINC000176641668 228317316 /nfs/dbraw/zinc/31/73/16/228317316.db2.gz DDCFNSZOZOKCJA-GFCCVEGCSA-N 0 0 307.353 3.476 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)N(CC#N)C2CCCC2)s1 ZINC000176810181 228320186 /nfs/dbraw/zinc/32/01/86/228320186.db2.gz SVZDFJJHUZXLQD-NSHDSACASA-N 0 0 307.419 3.067 10 30 DGEERN CN(C)C(=O)Sc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000176899750 228320855 /nfs/dbraw/zinc/32/08/55/228320855.db2.gz FYNHPGQIVQAMQC-UHFFFAOYSA-N 0 0 303.431 3.196 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C#N)C2CCCCC2)s1 ZINC000177061068 228323339 /nfs/dbraw/zinc/32/33/39/228323339.db2.gz VTQWVWDANLIFJT-YPMHNXCESA-N 0 0 321.446 3.361 10 30 DGEERN COCc1cc(CNC(=O)c2ccc(C#N)cc2C)ccc1F ZINC000178696591 228345150 /nfs/dbraw/zinc/34/51/50/228345150.db2.gz CAKDGOWSGGMROS-UHFFFAOYSA-N 0 0 312.344 3.082 10 30 DGEERN N#CCCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178686880 228345364 /nfs/dbraw/zinc/34/53/64/228345364.db2.gz YDDWPORZWPXQRH-CYBMUJFWSA-N 0 0 313.323 3.153 10 30 DGEERN N#C[C@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000179236535 228350028 /nfs/dbraw/zinc/35/00/28/228350028.db2.gz KLNLLOPHQMPWBI-OFAQMXQXSA-N 0 0 322.405 3.188 10 30 DGEERN C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180042782 228354354 /nfs/dbraw/zinc/35/43/54/228354354.db2.gz APYVVEGURATRHY-AWEZNQCLSA-N 0 0 305.381 3.470 10 30 DGEERN Cc1nn(C)cc1C(=O)/C=C/c1c(C2CC2)nc2sccn12 ZINC000180562089 228357503 /nfs/dbraw/zinc/35/75/03/228357503.db2.gz MVZVQNRBDUGREP-AATRIKPKSA-N 0 0 312.398 3.211 10 30 DGEERN Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)CCCCC#N)C2)c1 ZINC000183253618 228372421 /nfs/dbraw/zinc/37/24/21/228372421.db2.gz ZLUKUSUYLGPSTI-MRXNPFEDSA-N 0 0 320.458 3.116 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000183978544 228379270 /nfs/dbraw/zinc/37/92/70/228379270.db2.gz BGVLLDDDVRMVKO-HXUWFJFHSA-N 0 0 315.376 3.048 10 30 DGEERN N#CC1(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCCC1 ZINC000184744597 228385709 /nfs/dbraw/zinc/38/57/09/228385709.db2.gz HCQMRACICRDUCV-QWRGUYRKSA-N 0 0 308.303 3.160 10 30 DGEERN N#CC1(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CCCC1 ZINC000184744615 228385832 /nfs/dbraw/zinc/38/58/32/228385832.db2.gz HCQMRACICRDUCV-MNOVXSKESA-N 0 0 308.303 3.160 10 30 DGEERN CCc1noc2ncc(C(=O)N[C@H](C)C[C@H]3CCCO3)cc12 ZINC000328696743 228909352 /nfs/dbraw/zinc/90/93/52/228909352.db2.gz KZKDYQOWUKQRAC-ZYHUDNBSSA-N 0 0 303.362 3.047 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3cncnc3)cn2)CCC1=O ZINC000328696906 228909768 /nfs/dbraw/zinc/90/97/68/228909768.db2.gz DKQGWXRZJALWQU-NEPJUHHUSA-N 0 0 310.357 3.132 10 30 DGEERN C[C@H](NC(=O)Nc1csc(-c2ccccn2)n1)[C@H]1CCCO1 ZINC000329298774 228937543 /nfs/dbraw/zinc/93/75/43/228937543.db2.gz UUSDFTQLHYPYJM-CMPLNLGQSA-N 0 0 318.402 3.099 10 30 DGEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329604478 228950858 /nfs/dbraw/zinc/95/08/58/228950858.db2.gz GUNVOJBPTLISBU-OSAQELSMSA-N 0 0 302.422 3.496 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cn1 ZINC000329875496 228965035 /nfs/dbraw/zinc/96/50/35/228965035.db2.gz GQQWQSVUAOPTES-MWDXBVQZSA-N 0 0 317.433 3.423 10 30 DGEERN C[C@@]12CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333065424 229036659 /nfs/dbraw/zinc/03/66/59/229036659.db2.gz DYEYLDRZTZKMAR-OJUAWKFGSA-N 0 0 301.434 3.146 10 30 DGEERN N#C[C@]1(c2nc(C(F)(F)C(F)(F)F)no2)CC12CCCC2 ZINC000333644420 229039161 /nfs/dbraw/zinc/03/91/61/229039161.db2.gz CRVBEKUWCFWBSH-JTQLQIEISA-N 0 0 307.222 3.449 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000408327219 229623383 /nfs/dbraw/zinc/62/33/83/229623383.db2.gz AGSRYUGBSIHGGC-CZUORRHYSA-N 0 0 307.397 3.469 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NCCc1ccc(CO)cc1 ZINC000302043381 230058723 /nfs/dbraw/zinc/05/87/23/230058723.db2.gz XCUWOFBPGXQTLL-UHFFFAOYSA-N 0 0 321.302 3.119 10 30 DGEERN Cc1nn(C)c(Oc2ccc(Br)c(F)c2)c1C#N ZINC000087430631 259044863 /nfs/dbraw/zinc/04/48/63/259044863.db2.gz YVGSSFGMNMFYGY-UHFFFAOYSA-N 0 0 310.126 3.294 10 30 DGEERN N#Cc1cnc2c(F)ccc(Cl)c2c1NCC1(CCO)CC1 ZINC000186162549 263650287 /nfs/dbraw/zinc/65/02/87/263650287.db2.gz WGAMAPSIQAXOTB-UHFFFAOYSA-N 0 0 319.767 3.473 10 30 DGEERN Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)c(Cl)c1 ZINC000192365967 263779182 /nfs/dbraw/zinc/77/91/82/263779182.db2.gz UHVQHSVSWOADHE-UHFFFAOYSA-N 0 0 314.772 3.329 10 30 DGEERN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)n1 ZINC000357380167 270003898 /nfs/dbraw/zinc/00/38/98/270003898.db2.gz JVICZABGADLPTA-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN C/C(=C\C(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000364900521 265553704 /nfs/dbraw/zinc/55/37/04/265553704.db2.gz MCANVNBAAILFHS-GWKQRERASA-N 0 0 312.413 3.451 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1nccc(C)c1C#N)CC2 ZINC000364661355 265676399 /nfs/dbraw/zinc/67/63/99/265676399.db2.gz RNSWNAZDPBLCIN-UHFFFAOYSA-N 0 0 305.381 3.070 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nc(-c2ccccn2)nc2c1CCC2 ZINC000514598271 424816483 /nfs/dbraw/zinc/81/64/83/424816483.db2.gz OUZWBVFYTLEVMX-GUYCJALGSA-N 0 0 322.412 3.030 10 30 DGEERN CCO[C@@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)C(C)C ZINC000361879532 266289112 /nfs/dbraw/zinc/28/91/12/266289112.db2.gz HWKLZQDWQVQMRG-INIZCTEOSA-N 0 0 315.417 3.222 10 30 DGEERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(NCC(C)(C)C#N)n1 ZINC000618680531 425103993 /nfs/dbraw/zinc/10/39/93/425103993.db2.gz JRMHDIILVOSCGH-ZFWWWQNUSA-N 0 0 317.437 3.054 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)c2nc(C)cc(C#N)n2)C12CCCCC2 ZINC000519710498 267151228 /nfs/dbraw/zinc/15/12/28/267151228.db2.gz UOPCEQIRKCSOMT-JKSUJKDBSA-N 0 0 314.433 3.221 10 30 DGEERN CCS[C@H]1CCCC[C@@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000530931806 267181341 /nfs/dbraw/zinc/18/13/41/267181341.db2.gz YOTONRXQZUDNLP-HOTGVXAUSA-N 0 0 302.443 3.281 10 30 DGEERN CC[C@H](CNC(=O)Cc1cccc(C#N)c1)Oc1cccc(C)c1 ZINC000530981531 267212859 /nfs/dbraw/zinc/21/28/59/267212859.db2.gz DRZVGPLWGVXGOY-GOSISDBHSA-N 0 0 322.408 3.383 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000366865226 267285626 /nfs/dbraw/zinc/28/56/26/267285626.db2.gz MTQOWZBZSXQBRY-KRWDZBQOSA-N 0 0 323.400 3.359 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000369651793 267389485 /nfs/dbraw/zinc/38/94/85/267389485.db2.gz AGMTWHXRSWVPEK-CQSZACIVSA-N 0 0 322.412 3.457 10 30 DGEERN N#Cc1ccc(C2=CCN(C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000378330426 268054051 /nfs/dbraw/zinc/05/40/51/268054051.db2.gz AOVYDRFKGGRCAP-UHFFFAOYSA-N 0 0 318.376 3.122 10 30 DGEERN N#Cc1cccc(CC(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000531151254 268273737 /nfs/dbraw/zinc/27/37/37/268273737.db2.gz SRANWPNWNBFZNI-QGZVFWFLSA-N 0 0 317.392 3.116 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000530675338 268277392 /nfs/dbraw/zinc/27/73/92/268277392.db2.gz RPFWOZNXWDLEHA-UHFFFAOYSA-N 0 0 323.371 3.479 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000530675505 268277825 /nfs/dbraw/zinc/27/78/25/268277825.db2.gz ZJKJWZWTWLHKRH-UHFFFAOYSA-N 0 0 319.364 3.014 10 30 DGEERN N#Cc1ccnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000357417429 268296911 /nfs/dbraw/zinc/29/69/11/268296911.db2.gz UEZCZXVSHFPVCS-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(Br)ccc2F)c1 ZINC000357401712 268297308 /nfs/dbraw/zinc/29/73/08/268297308.db2.gz PSUCBOYAPVKYIB-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1csc(-c2ccncc2)n1 ZINC000361529236 268304343 /nfs/dbraw/zinc/30/43/43/268304343.db2.gz SSPUJOZZLPWNGG-UHFFFAOYSA-N 0 0 312.379 3.391 10 30 DGEERN CC[C@@H]1CCCCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000151547531 432256557 /nfs/dbraw/zinc/25/65/57/432256557.db2.gz UIRHTDNKCXKLCN-MRXNPFEDSA-N 0 0 306.431 3.043 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000488814219 429200964 /nfs/dbraw/zinc/20/09/64/429200964.db2.gz YKEAPWHMWWPXFL-CYBMUJFWSA-N 0 0 303.410 3.356 10 30 DGEERN C=CCn1c(N2CCC(C)(C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453433456 276912466 /nfs/dbraw/zinc/91/24/66/276912466.db2.gz DCVKWNIGQXRMQL-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN N#Cc1ccc2nc(NC[C@@H](CO)c3ccccc3)ccc2c1 ZINC000537877104 430173676 /nfs/dbraw/zinc/17/36/76/430173676.db2.gz SUHMETRQARLPQE-KRWDZBQOSA-N 0 0 303.365 3.294 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cc(-c3cccs3)[nH]n2)c1 ZINC000530912358 430128363 /nfs/dbraw/zinc/12/83/63/430128363.db2.gz OMCYAIBDUMDFAS-UHFFFAOYSA-N 0 0 308.366 3.191 10 30 DGEERN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000192132182 277395200 /nfs/dbraw/zinc/39/52/00/277395200.db2.gz RZOUNIUOSUDFHT-INIZCTEOSA-N 0 0 324.355 3.364 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190513125 277571867 /nfs/dbraw/zinc/57/18/67/277571867.db2.gz CYXHNYQOVYLNAJ-WMLDXEAASA-N 0 0 300.402 3.110 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](COC)CC1 ZINC000453450341 277784482 /nfs/dbraw/zinc/78/44/82/277784482.db2.gz HELXHFOHDQRNLV-OAHLLOKOSA-N 0 0 306.454 3.231 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)[C@H](C)[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000417501676 277785551 /nfs/dbraw/zinc/78/55/51/277785551.db2.gz JWXBIPALWGPDIK-AFIMGQEJSA-N 0 0 318.465 3.361 10 30 DGEERN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCCCC[C@@H]1C ZINC000359110137 277788091 /nfs/dbraw/zinc/78/80/91/277788091.db2.gz XYXRHPSQHOJZFL-GJZGRUSLSA-N 0 0 304.438 3.127 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCCO[C@H](C)C1 ZINC000424230990 277788188 /nfs/dbraw/zinc/78/81/88/277788188.db2.gz APUXPGYKBODJJQ-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)CCOCC1 ZINC000424805317 277824601 /nfs/dbraw/zinc/82/46/01/277824601.db2.gz BDWNCAJYOOZBKW-VXGBXAGGSA-N 0 0 305.340 3.159 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617044881 430590001 /nfs/dbraw/zinc/59/00/01/430590001.db2.gz UOGSFJXYAPYNQK-WFASDCNBSA-N 0 0 310.401 3.077 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)s1 ZINC000622155914 430608938 /nfs/dbraw/zinc/60/89/38/430608938.db2.gz ZFPXMAFIGSVCOS-SMDDNHRTSA-N 0 0 313.426 3.199 10 30 DGEERN C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1O ZINC000408089711 278556666 /nfs/dbraw/zinc/55/66/66/278556666.db2.gz OVXWAHUDAMRFSX-RNCFNFMXSA-N 0 0 319.767 3.106 10 30 DGEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(C#N)cs1 ZINC000176938005 279012844 /nfs/dbraw/zinc/01/28/44/279012844.db2.gz RCTOSKXVGFHVRG-SECBINFHSA-N 0 0 313.338 3.119 10 30 DGEERN Cc1nnc(N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(C#N)c1C ZINC000302651459 279225233 /nfs/dbraw/zinc/22/52/33/279225233.db2.gz BSRKRJJFIPPVGO-GFCCVEGCSA-N 0 0 312.339 3.380 10 30 DGEERN N#Cc1nc(Br)n(Cc2ccc(Cl)cc2)c1C#N ZINC000000161344 431136903 /nfs/dbraw/zinc/13/69/03/431136903.db2.gz TWNIVWNTOPVSCH-UHFFFAOYSA-N 0 0 321.565 3.091 10 30 DGEERN Cc1ccccc1[C@H](C)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000069317850 431174244 /nfs/dbraw/zinc/17/42/44/431174244.db2.gz GXWWYDYMBBTJHK-HNNXBMFYSA-N 0 0 323.396 3.458 10 30 DGEERN CCc1cccc2c(CC(=O)N(CCC#N)CC3CC3)c[nH]c21 ZINC000109277719 431175643 /nfs/dbraw/zinc/17/56/43/431175643.db2.gz XJEVZPFHTJDCMJ-UHFFFAOYSA-N 0 0 309.413 3.425 10 30 DGEERN C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccco1 ZINC000000473185 431190711 /nfs/dbraw/zinc/19/07/11/431190711.db2.gz YNJKGNQGQJHYDD-AQTBWJFISA-N 0 0 303.793 3.479 10 30 DGEERN COc1cc(C(=O)N[C@H](C#N)C2CC2)ccc1OC1CCCC1 ZINC000108834649 431156628 /nfs/dbraw/zinc/15/66/28/431156628.db2.gz PMHNIFOSGRYDSO-OAHLLOKOSA-N 0 0 314.385 3.049 10 30 DGEERN N#C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)C1CC1 ZINC000108828323 431156905 /nfs/dbraw/zinc/15/69/05/431156905.db2.gz LHUYVPXSDFNUIP-SFHVURJKSA-N 0 0 320.392 3.211 10 30 DGEERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C#N)C4CC4)cc3c2C1 ZINC000108828588 431158033 /nfs/dbraw/zinc/15/80/33/431158033.db2.gz UFFMBKLNEYVNGJ-ZMZPIMSZSA-N 0 0 307.397 3.325 10 30 DGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(C)COC1 ZINC000112738248 431302124 /nfs/dbraw/zinc/30/21/24/431302124.db2.gz OKCKIIABTWFRNG-GFCCVEGCSA-N 0 0 319.430 3.239 10 30 DGEERN Cc1ccc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c(C)n1 ZINC000112831290 431306895 /nfs/dbraw/zinc/30/68/95/431306895.db2.gz UGOANNUKHHBDEJ-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CSc1nc2cc(C)ccc2o1 ZINC000113776896 431363075 /nfs/dbraw/zinc/36/30/75/431363075.db2.gz CBDROBYAQOBXDW-LBPRGKRZSA-N 0 0 317.414 3.237 10 30 DGEERN CN(Cc1ccc(F)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000075435393 431476321 /nfs/dbraw/zinc/47/63/21/431476321.db2.gz KMEVAKCOECPCDL-UHFFFAOYSA-N 0 0 315.323 3.178 10 30 DGEERN N#CCCN(C(=O)CN1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116299098 431503429 /nfs/dbraw/zinc/50/34/29/431503429.db2.gz GAPYXOHXSCQDHB-KRWDZBQOSA-N 0 0 323.396 3.363 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000116973453 431543236 /nfs/dbraw/zinc/54/32/36/431543236.db2.gz XSIJDUAWNHBXBS-JSGCOSHPSA-N 0 0 302.374 3.226 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000076492595 431552015 /nfs/dbraw/zinc/55/20/15/431552015.db2.gz RMXPVHMFGGMBCS-QGZVFWFLSA-N 0 0 303.402 3.283 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000076490787 431554159 /nfs/dbraw/zinc/55/41/59/431554159.db2.gz ZZYVQYCGPKKGDB-UHFFFAOYSA-N 0 0 317.389 3.233 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000076945934 431565954 /nfs/dbraw/zinc/56/59/54/431565954.db2.gz URFRAFKTVCGSRX-CYBMUJFWSA-N 0 0 303.406 3.314 10 30 DGEERN N#Cc1cccc(CNC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000117597767 431569139 /nfs/dbraw/zinc/56/91/39/431569139.db2.gz UDEDYFQELMCZAY-INIZCTEOSA-N 0 0 306.365 3.131 10 30 DGEERN CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000117598239 431570107 /nfs/dbraw/zinc/57/01/07/431570107.db2.gz SMGOFJHNVCHVIA-KRWDZBQOSA-N 0 0 320.392 3.473 10 30 DGEERN C[C@@]1(C(=O)Nc2ccn(CCC#N)n2)CCCc2ccccc21 ZINC000117711659 431573867 /nfs/dbraw/zinc/57/38/67/431573867.db2.gz HKIOUYAJGNVSLF-GOSISDBHSA-N 0 0 308.385 3.029 10 30 DGEERN C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C)(C)[C@@H](O)C3 ZINC000014825212 431594569 /nfs/dbraw/zinc/59/45/69/431594569.db2.gz GXNOBSWJKBHASE-INIZCTEOSA-N 0 0 314.381 3.331 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(OCCC)cc1C ZINC000077861340 431626639 /nfs/dbraw/zinc/62/66/39/431626639.db2.gz YMHBKYLIJLXANX-UHFFFAOYSA-N 0 0 318.417 3.147 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(O[C@H](C)CC)cc1 ZINC000077861059 431626685 /nfs/dbraw/zinc/62/66/85/431626685.db2.gz RXXDGQNGSHFTIP-CQSZACIVSA-N 0 0 318.417 3.227 10 30 DGEERN Cc1nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)cc2o1 ZINC000078359507 431664190 /nfs/dbraw/zinc/66/41/90/431664190.db2.gz RTYCSXZCTCXMRQ-LLVKDONJSA-N 0 0 321.336 3.414 10 30 DGEERN C[C@@H](NC(=O)[C@H](C)N(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325284 431672650 /nfs/dbraw/zinc/67/26/50/431672650.db2.gz INXPZHHIYDCSNS-CVEARBPZSA-N 0 0 321.424 3.256 10 30 DGEERN C=C(C)CNC(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000119423550 431689956 /nfs/dbraw/zinc/68/99/56/431689956.db2.gz QIMNLKYBYUXSQD-UHFFFAOYSA-N 0 0 312.417 3.371 10 30 DGEERN CCn1cc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000119498340 431699539 /nfs/dbraw/zinc/69/95/39/431699539.db2.gz OTRJUUWRVQBIBY-UHFFFAOYSA-N 0 0 312.392 3.293 10 30 DGEERN Cc1cc(S(=O)(=O)N(CCC#N)Cc2ccco2)c(C)s1 ZINC000120341353 431727888 /nfs/dbraw/zinc/72/78/88/431727888.db2.gz QYPVUTVOAFWPTK-UHFFFAOYSA-N 0 0 324.427 3.063 10 30 DGEERN CC(C)c1cc(C(=O)N[C@](C)(C#N)C(C)C)nn1C(C)(C)C ZINC000120932539 431736549 /nfs/dbraw/zinc/73/65/49/431736549.db2.gz BEHUJGMHDDCBSG-QGZVFWFLSA-N 0 0 304.438 3.430 10 30 DGEERN N#CC1(NC(=O)CCCc2nnc(-c3ccccc3)o2)CCCC1 ZINC000121856990 431806336 /nfs/dbraw/zinc/80/63/36/431806336.db2.gz ZFZPMZAHZXTZRM-UHFFFAOYSA-N 0 0 324.384 3.012 10 30 DGEERN CCCCCCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122045768 431810532 /nfs/dbraw/zinc/81/05/32/431810532.db2.gz LNMLCYAJXLJXSP-MRXNPFEDSA-N 0 0 318.465 3.264 10 30 DGEERN COc1cc(/C=C\C(=O)c2oc(C)nc2C)cc(OC)c1OC ZINC000033374222 431811324 /nfs/dbraw/zinc/81/13/24/431811324.db2.gz OYVMXPKCCHKFKS-SREVYHEPSA-N 0 0 317.341 3.213 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)c2cc(C#N)cs2)cc1F ZINC000084072231 431813280 /nfs/dbraw/zinc/81/32/80/431813280.db2.gz FRYPWVVMGVNWKX-SECBINFHSA-N 0 0 304.346 3.258 10 30 DGEERN Clc1ccc(C#CCN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121294374 431767066 /nfs/dbraw/zinc/76/70/66/431767066.db2.gz SMFZHKMUXJEHBJ-QGZVFWFLSA-N 0 0 301.773 3.358 10 30 DGEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)c(Br)c1 ZINC000080938437 431778032 /nfs/dbraw/zinc/77/80/32/431778032.db2.gz TUVIEECYJFQUJB-UHFFFAOYSA-N 0 0 318.174 3.220 10 30 DGEERN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(C#N)cn2C)C2CC2)o1 ZINC000081012329 431783122 /nfs/dbraw/zinc/78/31/22/431783122.db2.gz SRTUQZPMDKSVDF-LRDDRELGSA-N 0 0 323.396 3.418 10 30 DGEERN C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000450273255 288264313 /nfs/dbraw/zinc/26/43/13/288264313.db2.gz BCIMHOMCJTXYQG-CXAGYDPISA-N 0 0 323.352 3.433 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122967833 431850311 /nfs/dbraw/zinc/85/03/11/431850311.db2.gz GAKRUZDBEJHWCS-OAHLLOKOSA-N 0 0 321.442 3.319 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1cccc(OC)c1O ZINC000088411532 431857991 /nfs/dbraw/zinc/85/79/91/431857991.db2.gz SCHURPGPDYWIGN-UHFFFAOYSA-N 0 0 304.390 3.193 10 30 DGEERN C#CCOc1ccccc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000123331619 431861530 /nfs/dbraw/zinc/86/15/30/431861530.db2.gz NSVWDPRIUBLOFT-UHFFFAOYSA-N 0 0 323.440 3.114 10 30 DGEERN C=CCN(Cc1cnn(CCC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000122439848 431832184 /nfs/dbraw/zinc/83/21/84/431832184.db2.gz XDFHAATUXQVKSS-UHFFFAOYSA-N 0 0 314.389 3.390 10 30 DGEERN C=CCOCCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808638 431833847 /nfs/dbraw/zinc/83/38/47/431833847.db2.gz XYDJSSRVSBESGM-CYBMUJFWSA-N 0 0 307.346 3.490 10 30 DGEERN CC(C)(C)OC(=O)N1CCC(Sc2ncccc2C#N)CC1 ZINC000085332954 431837951 /nfs/dbraw/zinc/83/79/51/431837951.db2.gz OUSOOWOMIVBCJK-UHFFFAOYSA-N 0 0 319.430 3.445 10 30 DGEERN CC1(CCNc2ccc(C#N)cc2C(F)(F)F)OCCO1 ZINC000124882555 431907815 /nfs/dbraw/zinc/90/78/15/431907815.db2.gz RQKSAJPUWSJSRJ-UHFFFAOYSA-N 0 0 300.280 3.142 10 30 DGEERN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000047282110 431907900 /nfs/dbraw/zinc/90/79/00/431907900.db2.gz RVMNSDJCDBPQHK-LLVKDONJSA-N 0 0 320.801 3.251 10 30 DGEERN CC(C)(C)OC(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1 ZINC000092297634 431908966 /nfs/dbraw/zinc/90/89/66/431908966.db2.gz XZZOXOLRRPISLR-UHFFFAOYSA-N 0 0 314.385 3.208 10 30 DGEERN COc1cc(CN(CCC#N)CCC(C)C)cc2c1OCCO2 ZINC000093100829 431912774 /nfs/dbraw/zinc/91/27/74/431912774.db2.gz NUDXJCXZUAMDTO-UHFFFAOYSA-N 0 0 318.417 3.228 10 30 DGEERN COc1cc(CN(CCC#N)CC(C)(C)C)cc2c1OCCO2 ZINC000093101148 431913696 /nfs/dbraw/zinc/91/36/96/431913696.db2.gz HXOIQQREALGQLL-UHFFFAOYSA-N 0 0 318.417 3.228 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000125277010 431919205 /nfs/dbraw/zinc/91/92/05/431919205.db2.gz XECXBLPQECVFFD-HNNXBMFYSA-N 0 0 301.434 3.218 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094077157 431919239 /nfs/dbraw/zinc/91/92/39/431919239.db2.gz GBYYNXWXHLLHTA-SFHVURJKSA-N 0 0 316.401 3.310 10 30 DGEERN C=CCn1c(SCC(=O)[C@H](C)CC)nc2sccc2c1=O ZINC000089662633 431874772 /nfs/dbraw/zinc/87/47/72/431874772.db2.gz GTKPZPGDNBQJQB-SNVBAGLBSA-N 0 0 322.455 3.351 10 30 DGEERN C=CCn1c(SCC(=O)[C@@H](C)CC)nnc1-c1cccnc1 ZINC000089677789 431874807 /nfs/dbraw/zinc/87/48/07/431874807.db2.gz IONWCAPJICXNTN-LBPRGKRZSA-N 0 0 316.430 3.233 10 30 DGEERN N#CCOc1cccc(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000089770046 431878221 /nfs/dbraw/zinc/87/82/21/431878221.db2.gz XPECGPVHNWNDRM-HKUYNNGSSA-N 0 0 320.392 3.051 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000124093886 431882507 /nfs/dbraw/zinc/88/25/07/431882507.db2.gz KNVRISODVDFRNP-NVXWUHKLSA-N 0 0 314.429 3.438 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000046971827 431903659 /nfs/dbraw/zinc/90/36/59/431903659.db2.gz CPBQRGTYJWFTMN-RHSMWYFYSA-N 0 0 315.417 3.047 10 30 DGEERN N#Cc1ccccc1OCCN1CCO[C@H](c2ccsc2)C1 ZINC000125703454 431933316 /nfs/dbraw/zinc/93/33/16/431933316.db2.gz SNSGAVMRJOBGGD-KRWDZBQOSA-N 0 0 314.410 3.072 10 30 DGEERN N#Cc1ccc(F)c(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000125827816 431937463 /nfs/dbraw/zinc/93/74/63/431937463.db2.gz WQEGKKVDMDRKEF-INIZCTEOSA-N 0 0 302.374 3.332 10 30 DGEERN COc1cc(/C=C\C(=O)c2cccc(O)c2)cc2c1OCCO2 ZINC000096462900 431951957 /nfs/dbraw/zinc/95/19/57/431951957.db2.gz XZGIIJBYNSBRMX-WAYWQWQTSA-N 0 0 312.321 3.068 10 30 DGEERN Cc1ccc(CNc2cnc(C#N)cn2)c(OCC(F)(F)F)c1 ZINC000126843107 431958972 /nfs/dbraw/zinc/95/89/72/431958972.db2.gz NFKMTQSAZIHJLO-UHFFFAOYSA-N 0 0 322.290 3.210 10 30 DGEERN O=C(OCCC(F)(F)C(F)(F)Br)C(F)(F)F ZINC000098210614 431980508 /nfs/dbraw/zinc/98/05/08/431980508.db2.gz COCQIWBOJGUXNT-UHFFFAOYSA-N 0 0 320.986 3.105 10 30 DGEERN C/C(=N/O)c1sc(Cn2cnc(Cl)c2Cl)nc1C ZINC000100016223 431980731 /nfs/dbraw/zinc/98/07/31/431980731.db2.gz VOPOMBVUSCQNMU-UUASQNMZSA-N 0 0 305.190 3.201 10 30 DGEERN COc1ccc(C=CC(O)=CC(=O)C(F)(F)C(F)F)cc1 ZINC000100316287 431981628 /nfs/dbraw/zinc/98/16/28/431981628.db2.gz FYOFWYVPPVPZQV-GORDUTHDSA-N 0 0 304.239 3.137 10 30 DGEERN CC1(C)CC[C@@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328737312 281095105 /nfs/dbraw/zinc/09/51/05/281095105.db2.gz ZZNRQHZSTKRVRA-OWCLPIDISA-N 0 0 317.433 3.384 10 30 DGEERN COc1cc(C)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000055819361 431986070 /nfs/dbraw/zinc/98/60/70/431986070.db2.gz UCYQBBCIBLLYDR-ZDUSSCGKSA-N 0 0 310.353 3.281 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)NCCC ZINC000191484510 432269613 /nfs/dbraw/zinc/26/96/13/432269613.db2.gz RWGCZVZTQTVHAU-UHFFFAOYSA-N 0 0 317.433 3.186 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000173376170 432274021 /nfs/dbraw/zinc/27/40/21/432274021.db2.gz DLQYQBLMLDOPRT-OAHLLOKOSA-N 0 0 313.332 3.337 10 30 DGEERN CC1=NN(c2ccccc2)C(=O)/C1=N/c1ccc(N(C)C)cc1 ZINC000102571717 431995249 /nfs/dbraw/zinc/99/52/49/431995249.db2.gz ASAZWLJLSPILII-HTXNQAPBSA-N 0 0 306.369 3.248 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1sccc1C#N ZINC000102721873 431997462 /nfs/dbraw/zinc/99/74/62/431997462.db2.gz MRONCVLEGMGDRJ-UHFFFAOYSA-N 0 0 316.430 3.270 10 30 DGEERN CCOc1ccc(C(=O)NC2(C#N)CCCC2)cc1OCC ZINC000060852444 432000382 /nfs/dbraw/zinc/00/03/82/432000382.db2.gz QEVUWEVSXLQHEA-UHFFFAOYSA-N 0 0 302.374 3.050 10 30 DGEERN CCOc1ccccc1OCCCC(=O)NC1(C#N)CCCC1 ZINC000060852565 432000848 /nfs/dbraw/zinc/00/08/48/432000848.db2.gz KKVYMTALKCOINC-UHFFFAOYSA-N 0 0 316.401 3.197 10 30 DGEERN C=C[C@H](CC(=O)N[C@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000248064233 432265986 /nfs/dbraw/zinc/26/59/86/432265986.db2.gz PNXOXFZGRLUEAU-HEFCMCLBSA-N 0 0 307.393 3.121 10 30 DGEERN Cc1nc2cc(NC(=O)NCc3cc(C#N)ccc3F)ccc2o1 ZINC000173281886 432268741 /nfs/dbraw/zinc/26/87/41/432268741.db2.gz KGKRKYOWCBFFOR-UHFFFAOYSA-N 0 0 324.315 3.469 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000191947323 432317043 /nfs/dbraw/zinc/31/70/43/432317043.db2.gz BFNLEEMTNHRXPJ-IUODEOHRSA-N 0 0 300.402 3.002 10 30 DGEERN C#CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248825405 432320689 /nfs/dbraw/zinc/32/06/89/432320689.db2.gz JYRYZJDHFUNEHS-DOTOQJQBSA-N 0 0 322.811 3.144 10 30 DGEERN C#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248825411 432320994 /nfs/dbraw/zinc/32/09/94/432320994.db2.gz JYRYZJDHFUNEHS-NVXWUHKLSA-N 0 0 322.811 3.144 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(C#N)cs1 ZINC000183765744 432324166 /nfs/dbraw/zinc/32/41/66/432324166.db2.gz RSOYPFZJBDIWPE-JTQLQIEISA-N 0 0 316.430 3.371 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000248602682 432305392 /nfs/dbraw/zinc/30/53/92/432305392.db2.gz BAKKWKIZUCJHNJ-ZIAGYGMSSA-N 0 0 320.399 3.321 10 30 DGEERN CCc1cc(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)n[nH]1 ZINC000192284878 432354799 /nfs/dbraw/zinc/35/47/99/432354799.db2.gz IBWFIGRZEWGHOB-UHFFFAOYSA-N 0 0 313.361 3.275 10 30 DGEERN CN(CC#Cc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000191895261 432312069 /nfs/dbraw/zinc/31/20/69/432312069.db2.gz XEJHKPHOZWAHBN-UHFFFAOYSA-N 0 0 301.393 3.356 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OC)c(OC)c2OC)CCC1 ZINC000191910832 432312943 /nfs/dbraw/zinc/31/29/43/432312943.db2.gz HLEXPPNQZOJJJN-UHFFFAOYSA-N 0 0 305.374 3.397 10 30 DGEERN CC(C)(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1 ZINC000183647508 432313654 /nfs/dbraw/zinc/31/36/54/432313654.db2.gz YKMZMWONWPWCSE-UHFFFAOYSA-N 0 0 323.400 3.294 10 30 DGEERN C=C[C@@H](CC(=O)NCc1cccnc1N(C)C)c1ccccc1 ZINC000153214027 432392938 /nfs/dbraw/zinc/39/29/38/432392938.db2.gz SAFLQACVGCFKQM-HNNXBMFYSA-N 0 0 309.413 3.124 10 30 DGEERN C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)O1 ZINC000153245684 432394309 /nfs/dbraw/zinc/39/43/09/432394309.db2.gz AATOIWYBEMWAFR-GWCFXTLKSA-N 0 0 304.415 3.395 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000153281503 432397740 /nfs/dbraw/zinc/39/77/40/432397740.db2.gz HQKBHYXEUCXNBN-TZMCWYRMSA-N 0 0 307.438 3.105 10 30 DGEERN CCN(C(=O)c1ccnc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000192682811 432399725 /nfs/dbraw/zinc/39/97/25/432399725.db2.gz CPVWUDQWIKKSGV-CYBMUJFWSA-N 0 0 309.369 3.185 10 30 DGEERN Cc1ccc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)cc1 ZINC000254351436 432402504 /nfs/dbraw/zinc/40/25/04/432402504.db2.gz XIHBNLUNXAQUDD-UHFFFAOYSA-N 0 0 322.368 3.002 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1n[nH]c(-c2ccccc2OC)n1 ZINC000184533594 432403574 /nfs/dbraw/zinc/40/35/74/432403574.db2.gz LICCCWCKUGFUEB-NSHDSACASA-N 0 0 300.362 3.021 10 30 DGEERN O=S(=O)(NN=C/C=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000254844266 432404818 /nfs/dbraw/zinc/40/48/18/432404818.db2.gz HIIRHKAWDYRMCN-WENYHIJHSA-N 0 0 320.801 3.318 10 30 DGEERN CCCc1ccc(S(=O)(=O)NN=C2CCCC[C@H]2C)cc1 ZINC000254836351 432405141 /nfs/dbraw/zinc/40/51/41/432405141.db2.gz FUWPITMIKCAKNB-CYBMUJFWSA-N 0 0 308.447 3.484 10 30 DGEERN C=CCCCCCN(C)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000152954667 432371440 /nfs/dbraw/zinc/37/14/40/432371440.db2.gz KJLUHUKDVHQDTM-UHFFFAOYSA-N 0 0 316.405 3.046 10 30 DGEERN Cc1cc(C)cc(-c2cc(NC(=O)c3cc(C#N)c[nH]3)n[nH]2)c1 ZINC000175503983 432442946 /nfs/dbraw/zinc/44/29/46/432442946.db2.gz WFUVQMHTZQIMKI-UHFFFAOYSA-N 0 0 305.341 3.146 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000193197424 432456336 /nfs/dbraw/zinc/45/63/36/432456336.db2.gz HFRRHPBGAQWHIF-GFCCVEGCSA-N 0 0 322.393 3.457 10 30 DGEERN Cc1ccccc1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184582030 432408396 /nfs/dbraw/zinc/40/83/96/432408396.db2.gz RPBNWTDRVLSLNY-UHFFFAOYSA-N 0 0 318.340 3.091 10 30 DGEERN Cc1cccc(NC(=O)CSc2nnc(C)c(C)c2C#N)c1 ZINC000192768410 432410765 /nfs/dbraw/zinc/41/07/65/432410765.db2.gz NWYKQDTXXLIQKE-UHFFFAOYSA-N 0 0 312.398 3.004 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000272256582 432472284 /nfs/dbraw/zinc/47/22/84/432472284.db2.gz ADHCWKLBMBHSFE-UHFFFAOYSA-N 0 0 320.370 3.429 10 30 DGEERN Cc1nnc([C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)[nH]1 ZINC000154164562 432478945 /nfs/dbraw/zinc/47/89/45/432478945.db2.gz BIRPHNZJDVEHCG-FZKQIMNGSA-N 0 0 317.396 3.425 10 30 DGEERN CCC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000154203140 432482064 /nfs/dbraw/zinc/48/20/64/432482064.db2.gz NZEZFSUBTAUHNV-CQSZACIVSA-N 0 0 317.389 3.190 10 30 DGEERN CCC1(CC)CN(CC#Cc2cccc(Cl)c2)CC[S@@]1=O ZINC000185299116 432488060 /nfs/dbraw/zinc/48/80/60/432488060.db2.gz YAIWEHNQONGPIW-NRFANRHFSA-N 0 0 323.889 3.315 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000185338748 432492677 /nfs/dbraw/zinc/49/26/77/432492677.db2.gz ZBWJZNDWBPZPBH-AWEZNQCLSA-N 0 0 317.429 3.454 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154339618 432493245 /nfs/dbraw/zinc/49/32/45/432493245.db2.gz BHBRPBNDOZWRQM-HOTGVXAUSA-N 0 0 303.402 3.463 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000185583892 432512820 /nfs/dbraw/zinc/51/28/20/432512820.db2.gz NSUATYWAXHXIBW-WBVHZDCISA-N 0 0 314.429 3.243 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000154395077 432495554 /nfs/dbraw/zinc/49/55/54/432495554.db2.gz NJLNJQSLRLJFKA-ZDUSSCGKSA-N 0 0 304.438 3.110 10 30 DGEERN C[C@H]1COCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193812541 432501069 /nfs/dbraw/zinc/50/10/69/432501069.db2.gz BVMHYSBBSNKOKB-RYUDHWBXSA-N 0 0 318.442 3.500 10 30 DGEERN C[C@@H]1COCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193812527 432501508 /nfs/dbraw/zinc/50/15/08/432501508.db2.gz BVMHYSBBSNKOKB-NEPJUHHUSA-N 0 0 318.442 3.500 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000185468754 432503833 /nfs/dbraw/zinc/50/38/33/432503833.db2.gz VFEASUPNVKPVEF-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN N#Cc1cc(F)c(CNc2ccc(N3CCCC3)nc2)c(F)c1 ZINC000194416403 432549607 /nfs/dbraw/zinc/54/96/07/432549607.db2.gz DQGUUGDKNZRWBA-UHFFFAOYSA-N 0 0 314.339 3.444 10 30 DGEERN CSC1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000194458810 432551855 /nfs/dbraw/zinc/55/18/55/432551855.db2.gz JEXSXORPWSBTQQ-UHFFFAOYSA-N 0 0 300.427 3.257 10 30 DGEERN Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H](C#N)C3CC3)c2c1 ZINC000176797724 432553762 /nfs/dbraw/zinc/55/37/62/432553762.db2.gz ZSQNXMFQWIOWAA-GOSISDBHSA-N 0 0 305.381 3.453 10 30 DGEERN C=CCSCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000194476901 432554109 /nfs/dbraw/zinc/55/41/09/432554109.db2.gz QDYNTNOVSIHAQU-CVEARBPZSA-N 0 0 305.443 3.190 10 30 DGEERN Cc1cc(C#N)ccc1CSCc1nsc(N(C)C)n1 ZINC000186086179 432557692 /nfs/dbraw/zinc/55/76/92/432557692.db2.gz OZJBTBYWCKVXAD-UHFFFAOYSA-N 0 0 304.444 3.218 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000186109829 432559525 /nfs/dbraw/zinc/55/95/25/432559525.db2.gz PLRIFHZQDWQLLJ-GJZGRUSLSA-N 0 0 303.402 3.179 10 30 DGEERN C#CCC(C)(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000186128960 432559966 /nfs/dbraw/zinc/55/99/66/432559966.db2.gz OOOCWJZFKNCYCV-UHFFFAOYSA-N 0 0 314.360 3.189 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000272564703 432523970 /nfs/dbraw/zinc/52/39/70/432523970.db2.gz KDMDGSSLQGZCCL-ZBFHGGJFSA-N 0 0 315.417 3.128 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000185864556 432539758 /nfs/dbraw/zinc/53/97/58/432539758.db2.gz ZEZNXOVWQOQZJU-GJZGRUSLSA-N 0 0 302.418 3.453 10 30 DGEERN N#CC1(NC(=O)c2ccc(N3CCCCCC3)nc2)CCCC1 ZINC000194343906 432542438 /nfs/dbraw/zinc/54/24/38/432542438.db2.gz CJHIWSKTWBTTHD-UHFFFAOYSA-N 0 0 312.417 3.028 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000185912524 432543999 /nfs/dbraw/zinc/54/39/99/432543999.db2.gz ZNSWTFMGQSDSBS-STQMWFEESA-N 0 0 303.402 3.237 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000185912544 432545144 /nfs/dbraw/zinc/54/51/44/432545144.db2.gz ZNSWTFMGQSDSBS-CHWSQXEVSA-N 0 0 303.402 3.237 10 30 DGEERN C[C@@H](CC(=O)NCCCC#N)c1ccc(Br)cc1 ZINC000273075975 432545874 /nfs/dbraw/zinc/54/58/74/432545874.db2.gz WPOZIIZODSBVHO-NSHDSACASA-N 0 0 309.207 3.363 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000185931571 432546170 /nfs/dbraw/zinc/54/61/70/432546170.db2.gz VWZPJZHFMRAURV-CYBMUJFWSA-N 0 0 313.850 3.266 10 30 DGEERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccnc(C#N)c1 ZINC000195118840 432605785 /nfs/dbraw/zinc/60/57/85/432605785.db2.gz JOYQZZMBSNWNHZ-UHFFFAOYSA-N 0 0 309.413 3.242 10 30 DGEERN C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CCC1=O ZINC000186565246 432609526 /nfs/dbraw/zinc/60/95/26/432609526.db2.gz YQRTVRYUUCUTRZ-AWEZNQCLSA-N 0 0 318.376 3.276 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000186208793 432569902 /nfs/dbraw/zinc/56/99/02/432569902.db2.gz VISAKNDPTVYEDG-ZDUSSCGKSA-N 0 0 322.380 3.206 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nccn1-c1ccccc1 ZINC000194709340 432571220 /nfs/dbraw/zinc/57/12/20/432571220.db2.gz UNVYDOOBQHTQKL-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194782821 432576948 /nfs/dbraw/zinc/57/69/48/432576948.db2.gz JTFBYZOLJQJOMS-AFAVFJNCSA-N 0 0 324.355 3.137 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000186335730 432583571 /nfs/dbraw/zinc/58/35/71/432583571.db2.gz PVKMSWFLXMPKAR-LLVKDONJSA-N 0 0 302.296 3.072 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)cs2)C12CCCC2 ZINC000177092532 432584397 /nfs/dbraw/zinc/58/43/97/432584397.db2.gz SMZOECJPNZCAFA-LSDHHAIUSA-N 0 0 318.442 3.430 10 30 DGEERN Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(C#N)cn2C)cc1 ZINC000177366433 432617434 /nfs/dbraw/zinc/61/74/34/432617434.db2.gz BKTDERGYSOYUJY-QGZVFWFLSA-N 0 0 307.397 3.053 10 30 DGEERN C=CCCO[C@H](C)c1nc(COc2ccc(OC)cc2)no1 ZINC000273640816 432619566 /nfs/dbraw/zinc/61/95/66/432619566.db2.gz BZJTXTTUFXKFTL-GFCCVEGCSA-N 0 0 304.346 3.311 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000186655226 432619731 /nfs/dbraw/zinc/61/97/31/432619731.db2.gz TVQVSMWMRQAOMM-SJLPKXTDSA-N 0 0 316.445 3.424 10 30 DGEERN Cc1ccc2c(c1)SCCCN2C(=O)c1cc(C#N)cn1C ZINC000187202493 432651290 /nfs/dbraw/zinc/65/12/90/432651290.db2.gz BBSFYDRDFDUCBS-UHFFFAOYSA-N 0 0 311.410 3.348 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000274317779 432651403 /nfs/dbraw/zinc/65/14/03/432651403.db2.gz ADVWSQVXIRXTFL-YJBOKZPZSA-N 0 0 301.430 3.388 10 30 DGEERN C=C1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000264679863 432662153 /nfs/dbraw/zinc/66/21/53/432662153.db2.gz OEBHLHFSNCCEBC-UHFFFAOYSA-N 0 0 320.190 3.118 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1-n1cccn1 ZINC000177821363 432665492 /nfs/dbraw/zinc/66/54/92/432665492.db2.gz NYNCPCZPVFWPHZ-GFCCVEGCSA-N 0 0 322.393 3.296 10 30 DGEERN C=C(C)CCN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000274707723 432700948 /nfs/dbraw/zinc/70/09/48/432700948.db2.gz BINARAFCVFHYBM-INIZCTEOSA-N 0 0 324.327 3.021 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CCCC(=O)NC ZINC000188068401 432702613 /nfs/dbraw/zinc/70/26/13/432702613.db2.gz RLKHDWYEMCVKOH-UHFFFAOYSA-N 0 0 302.418 3.393 10 30 DGEERN Cn1c(SCC#Cc2ccccc2)nnc1-c1ccccn1 ZINC000188098127 432704481 /nfs/dbraw/zinc/70/44/81/432704481.db2.gz AZBBGUONQFZRRG-UHFFFAOYSA-N 0 0 306.394 3.021 10 30 DGEERN CCC(C)(CC)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000226643586 432708348 /nfs/dbraw/zinc/70/83/48/432708348.db2.gz MZMXLMSBYKVSIK-UHFFFAOYSA-N 0 0 300.811 3.069 10 30 DGEERN CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(C#N)cn2)n1 ZINC000160416809 432718636 /nfs/dbraw/zinc/71/86/36/432718636.db2.gz PFVXLXTXCQWWSK-UHFFFAOYSA-N 0 0 324.384 3.097 10 30 DGEERN C=C(CSc1nnc(Cc2ccccc2F)o1)C(=O)OCC ZINC000187686909 432676044 /nfs/dbraw/zinc/67/60/44/432676044.db2.gz XVETVJUREDXFFM-UHFFFAOYSA-N 0 0 322.361 3.011 10 30 DGEERN C=C(C)[C@@H](NCc1nnc(CC)n1C)c1ccc(F)c(F)c1 ZINC000187771747 432683828 /nfs/dbraw/zinc/68/38/28/432683828.db2.gz KTADDXSXZCAVHL-MRXNPFEDSA-N 0 0 306.360 3.063 10 30 DGEERN C=CCCCCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000274576253 432684161 /nfs/dbraw/zinc/68/41/61/432684161.db2.gz BPQTYDFFVIZCEZ-CJNGLKHVSA-N 0 0 300.402 3.367 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(F)c1C#N ZINC000187849426 432688604 /nfs/dbraw/zinc/68/86/04/432688604.db2.gz YCIDRQBYXYVIOO-UGSOOPFHSA-N 0 0 324.355 3.300 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000265344205 432691873 /nfs/dbraw/zinc/69/18/73/432691873.db2.gz ZGBJMAWEUBUPGV-GFCCVEGCSA-N 0 0 308.451 3.215 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000266503480 432759419 /nfs/dbraw/zinc/75/94/19/432759419.db2.gz AJFGYFWMOMRFJR-ZBFHGGJFSA-N 0 0 309.331 3.467 10 30 DGEERN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1nccs1 ZINC000161114204 432760400 /nfs/dbraw/zinc/76/04/00/432760400.db2.gz DJHJPCOTKYTZIG-YPMHNXCESA-N 0 0 314.414 3.083 10 30 DGEERN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)CC2(C#N)CC2)o1 ZINC000165667407 288551765 /nfs/dbraw/zinc/55/17/65/288551765.db2.gz WXADILSTJMHRIK-AWEZNQCLSA-N 0 0 322.430 3.003 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000178735994 432771065 /nfs/dbraw/zinc/77/10/65/432771065.db2.gz WISSTOISWPDFAU-HNNXBMFYSA-N 0 0 308.381 3.202 10 30 DGEERN COc1ccc2[nH]c(C(=O)NCc3ccc(C#N)cc3F)cc2c1 ZINC000189254295 432773542 /nfs/dbraw/zinc/77/35/42/432773542.db2.gz HAKVCVOHFQCTKG-UHFFFAOYSA-N 0 0 323.327 3.117 10 30 DGEERN C=CC[C@@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)c1ccccc1 ZINC000188469343 432727119 /nfs/dbraw/zinc/72/71/19/432727119.db2.gz IXBPAQQPCLLPDT-CQSZACIVSA-N 0 0 321.384 3.109 10 30 DGEERN CC(C)(C)C1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230339123 432728061 /nfs/dbraw/zinc/72/80/61/432728061.db2.gz YVBLTFQGXOPDED-UHFFFAOYSA-N 0 0 312.460 3.067 10 30 DGEERN CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000154208735 292673618 /nfs/dbraw/zinc/67/36/18/292673618.db2.gz FDTSHBBWOFZBBW-CQSZACIVSA-N 0 0 317.389 3.190 10 30 DGEERN C=CCOc1cccc(NC(=O)NC[C@H]2CCC(C)(C)O2)c1 ZINC000188721169 432742778 /nfs/dbraw/zinc/74/27/78/432742778.db2.gz RATKVDHVGHBKCT-OAHLLOKOSA-N 0 0 304.390 3.331 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)o1 ZINC000160789375 432743037 /nfs/dbraw/zinc/74/30/37/432743037.db2.gz VCRCFPMFENHWTN-SNVBAGLBSA-N 0 0 324.789 3.153 10 30 DGEERN C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160829568 432743896 /nfs/dbraw/zinc/74/38/96/432743896.db2.gz MMKZCYZFWNDBOU-MNOVXSKESA-N 0 0 312.822 3.021 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000188786284 432745236 /nfs/dbraw/zinc/74/52/36/432745236.db2.gz YHVFVRNDLOFRSY-IIAWOOMASA-N 0 0 300.402 3.411 10 30 DGEERN N#C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)C1CC1 ZINC000161689083 432793568 /nfs/dbraw/zinc/79/35/68/432793568.db2.gz MFDDSRDVNPXWGZ-OAHLLOKOSA-N 0 0 304.349 3.343 10 30 DGEERN COc1cc(OC)cc([C@@H]2CCN(c3nc(C)ccc3C#N)C2)c1 ZINC000161764650 432796582 /nfs/dbraw/zinc/79/65/82/432796582.db2.gz KVOKBYFTUMXLDK-OAHLLOKOSA-N 0 0 323.396 3.273 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(=O)NCC ZINC000276423135 432806885 /nfs/dbraw/zinc/80/68/85/432806885.db2.gz OHALRPGGKIDTPM-ZDUSSCGKSA-N 0 0 317.433 3.185 10 30 DGEERN CCOC(=O)[C@H](NCc1ccc(C#N)o1)c1cccc(C)c1C ZINC000189667578 432808407 /nfs/dbraw/zinc/80/84/07/432808407.db2.gz LNXIIDANHFKCNM-QGZVFWFLSA-N 0 0 312.369 3.162 10 30 DGEERN C[C@@](O)(CNC(=O)c1cn2ccnc2s1)C1CCCCC1 ZINC000330167949 432895761 /nfs/dbraw/zinc/89/57/61/432895761.db2.gz WDNLOLXVCGDFSA-OAHLLOKOSA-N 0 0 307.419 3.032 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000246054423 432875411 /nfs/dbraw/zinc/87/54/11/432875411.db2.gz QKOOXLVLOCQZTM-DYEKYZERSA-N 0 0 304.415 3.444 10 30 DGEERN C=C[C@@H](Cc1nc(C2(OC)CCOCC2)no1)c1ccccc1 ZINC000278119381 432885532 /nfs/dbraw/zinc/88/55/32/432885532.db2.gz FVIFLVMBKCBCNV-AWEZNQCLSA-N 0 0 314.385 3.234 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCn2cccc2[C@@H]1C ZINC000288238278 432890336 /nfs/dbraw/zinc/89/03/36/432890336.db2.gz SBOYYCFDULMVRW-WMZOPIPTSA-N 0 0 321.424 3.209 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000288192689 432890403 /nfs/dbraw/zinc/89/04/03/432890403.db2.gz XWWUQYCPHJETNU-UHFFFAOYSA-N 0 0 324.424 3.045 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000278305256 432891079 /nfs/dbraw/zinc/89/10/79/432891079.db2.gz RYVLVVHTLFILME-BXUZGUMPSA-N 0 0 315.398 3.125 10 30 DGEERN [O-]C(=[NH+]c1nc2ccsc2s1)N1CCO[C@H](C2CC2)C1 ZINC000330113661 432893183 /nfs/dbraw/zinc/89/31/83/432893183.db2.gz DDUXWZNGGQNVQH-JTQLQIEISA-N 0 0 309.416 3.014 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000288540864 432894107 /nfs/dbraw/zinc/89/41/07/432894107.db2.gz URFPGZZWNRWLSE-UHFFFAOYSA-N 0 0 324.424 3.077 10 30 DGEERN O=C(N[C@H](C1CCCC1)C(F)(F)F)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330168631 432894862 /nfs/dbraw/zinc/89/48/62/432894862.db2.gz WKWUSFUUYJPUIK-JHJVBQTASA-N 0 0 320.355 3.179 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C2CC2)n1 ZINC000296736224 432926577 /nfs/dbraw/zinc/92/65/77/432926577.db2.gz COPZXZZTBCSKNS-BBRMVZONSA-N 0 0 301.390 3.062 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@H](CC)c2nc(C)cs2)cc1 ZINC000296912907 432938980 /nfs/dbraw/zinc/93/89/80/432938980.db2.gz PCSMIIBFBFBYLX-OAHLLOKOSA-N 0 0 313.426 3.383 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000289270057 432939279 /nfs/dbraw/zinc/93/92/79/432939279.db2.gz WVIYARCNXVLJDE-UHFFFAOYSA-N 0 0 315.363 3.334 10 30 DGEERN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1C ZINC000289320905 432945390 /nfs/dbraw/zinc/94/53/90/432945390.db2.gz BPNMXPICAYCVCL-GFCCVEGCSA-N 0 0 313.361 3.028 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000297013495 432948762 /nfs/dbraw/zinc/94/87/62/432948762.db2.gz UAOIOPFRBQZIOU-INXSZFJKSA-N 0 0 313.357 3.197 10 30 DGEERN Cc1noc(C)c1NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000330260735 432900778 /nfs/dbraw/zinc/90/07/78/432900778.db2.gz SVRFVSHFGCRLHF-AWEZNQCLSA-N 0 0 307.394 3.261 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000278853595 432909700 /nfs/dbraw/zinc/90/97/00/432909700.db2.gz XNQKUAMBJVKELB-QLFBSQMISA-N 0 0 304.777 3.002 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC000330520947 432914280 /nfs/dbraw/zinc/91/42/80/432914280.db2.gz HMLPNZXWOSSILL-SCZZXKLOSA-N 0 0 320.336 3.448 10 30 DGEERN C=C(C)C[C@H](C)c1nc(Cn2cc(Br)cn2)no1 ZINC000289048233 432917000 /nfs/dbraw/zinc/91/70/00/432917000.db2.gz MOYFQGXHLRQDKU-VIFPVBQESA-N 0 0 311.183 3.147 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000297208872 432975117 /nfs/dbraw/zinc/97/51/17/432975117.db2.gz LXVPMKWJUHESTJ-CQSZACIVSA-N 0 0 321.218 3.101 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC=C(C(F)(F)F)CC2)cc1 ZINC000297784516 433018455 /nfs/dbraw/zinc/01/84/55/433018455.db2.gz XBCVZLVBSXXRST-UHFFFAOYSA-N 0 0 308.303 3.072 10 30 DGEERN C=CC[C@H](C)[C@H](C)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000290248549 433021136 /nfs/dbraw/zinc/02/11/36/433021136.db2.gz VLBLDHLXXMOIJW-UBHSHLNASA-N 0 0 315.417 3.452 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000297833686 433022673 /nfs/dbraw/zinc/02/26/73/433022673.db2.gz LPFFTWGZYRTIIO-KRWDZBQOSA-N 0 0 314.429 3.083 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000297907984 433031761 /nfs/dbraw/zinc/03/17/61/433031761.db2.gz SZHYEOHIVNCKOW-UHFFFAOYSA-N 0 0 304.297 3.095 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000280349069 433038922 /nfs/dbraw/zinc/03/89/22/433038922.db2.gz UOQWUANFRNPREA-UHFFFAOYSA-N 0 0 300.402 3.317 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)nc(-c2ccccn2)n1 ZINC000280520360 433068119 /nfs/dbraw/zinc/06/81/19/433068119.db2.gz DUGLBWPSBXMCQO-RHSMWYFYSA-N 0 0 310.401 3.240 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1cc(-c2cccnc2)n[nH]1 ZINC000361303722 433091424 /nfs/dbraw/zinc/09/14/24/433091424.db2.gz KWLZNQLWDXQHPS-UHFFFAOYSA-N 0 0 322.343 3.235 10 30 DGEERN Cc1cc(C#N)cc(NCc2csc(Br)c2)n1 ZINC000341547622 433124908 /nfs/dbraw/zinc/12/49/08/433124908.db2.gz MLAAYWZJWKLGRO-UHFFFAOYSA-N 0 0 308.204 3.698 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nnc(-c2ccccc2Cl)s1 ZINC000425275011 433143480 /nfs/dbraw/zinc/14/34/80/433143480.db2.gz BIVJBPLPFUXQQH-GWCFXTLKSA-N 0 0 321.833 3.862 10 30 DGEERN C=CCCCSCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000447048131 433144679 /nfs/dbraw/zinc/14/46/79/433144679.db2.gz KQWLMVMTIXNHMT-UHFFFAOYSA-N 0 0 315.442 3.188 10 30 DGEERN C=C[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC000280598259 433100660 /nfs/dbraw/zinc/10/06/60/433100660.db2.gz CCGZETJTKUIOHF-OIISXLGYSA-N 0 0 315.413 3.194 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425120012 433102289 /nfs/dbraw/zinc/10/22/89/433102289.db2.gz NTXHXTYDTUGNPX-KRWDZBQOSA-N 0 0 300.358 3.108 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@@H](CC)N(C2CC2)C1=O ZINC000420123630 433111398 /nfs/dbraw/zinc/11/13/98/433111398.db2.gz OXJQZVOUBGGBAE-IAGOWNOFSA-N 0 0 312.413 3.379 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000373889485 433165238 /nfs/dbraw/zinc/16/52/38/433165238.db2.gz DFGUZZGLWZFHGP-CLCXKQKWSA-N 0 0 315.413 3.040 10 30 DGEERN COc1cc(C)cc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1C ZINC000447171340 433168277 /nfs/dbraw/zinc/16/82/77/433168277.db2.gz GBHYLSDHUAXHGD-KSSFIOAISA-N 0 0 317.433 3.167 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](COC)CC1 ZINC000453423850 433175907 /nfs/dbraw/zinc/17/59/07/433175907.db2.gz GENCNMBYGAKKFI-OAHLLOKOSA-N 0 0 320.481 3.306 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@@H]1CC[C@H](C(=O)NCC(C)(C)C=C)C1 ZINC000412380802 433177490 /nfs/dbraw/zinc/17/74/90/433177490.db2.gz SASPAPOBRFZTJQ-GASCZTMLSA-N 0 0 320.477 3.060 10 30 DGEERN C=CCn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@@]1(C)CCCO1 ZINC000453432471 433178456 /nfs/dbraw/zinc/17/84/56/433178456.db2.gz BRPDXKZWPRRHSI-CRAIPNDOSA-N 0 0 316.449 3.282 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453426626 433180398 /nfs/dbraw/zinc/18/03/98/433180398.db2.gz SNSIXYGNFUYRAJ-SFHVURJKSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCn1c(N2CC[C@H](C)[C@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453435093 433182894 /nfs/dbraw/zinc/18/28/94/433182894.db2.gz GFRVHXPEPJLZKA-VBQJREDUSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N2CC[C@@](C)(CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453435221 433184396 /nfs/dbraw/zinc/18/43/96/433184396.db2.gz GMZBEFYOSUGNMI-IAGOWNOFSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCCCCCN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O ZINC000447322460 433185597 /nfs/dbraw/zinc/18/55/97/433185597.db2.gz FBPAXJXLEQUZQN-QGZVFWFLSA-N 0 0 308.422 3.001 10 30 DGEERN C=C(C)Cn1c(N2CCC3(CCC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453459199 433196972 /nfs/dbraw/zinc/19/69/72/433196972.db2.gz BSXIOARALCVJDN-QGZVFWFLSA-N 0 0 316.449 3.260 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000453463722 433197958 /nfs/dbraw/zinc/19/79/58/433197958.db2.gz JJLKZQCOASRSEC-BZUAXINKSA-N 0 0 316.449 3.332 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453462807 433199025 /nfs/dbraw/zinc/19/90/25/433199025.db2.gz IRRHQMMMOJIRCQ-DAYGRLMNSA-N 0 0 318.465 3.362 10 30 DGEERN Cn1c2cc(NCc3cc(C#N)ccc3F)ccc2ccc1=O ZINC000447409772 433200430 /nfs/dbraw/zinc/20/04/30/433200430.db2.gz XLAJLKJZGVRWMX-UHFFFAOYSA-N 0 0 307.328 3.161 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)C[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453466527 433200376 /nfs/dbraw/zinc/20/03/76/433200376.db2.gz OHOLDRZKQUVCNT-JKIFEVAISA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453467196 433202022 /nfs/dbraw/zinc/20/20/22/433202022.db2.gz QMYOOVWSDHZHBD-RHSMWYFYSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N(C)CC(C)(C)C)nnc1[C@@]1(C)CCCO1 ZINC000453471839 433202120 /nfs/dbraw/zinc/20/21/20/433202120.db2.gz VKGRYEZZAGBWLP-QGZVFWFLSA-N 0 0 306.454 3.362 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C)[C@H]1C ZINC000350595450 433220577 /nfs/dbraw/zinc/22/05/77/433220577.db2.gz DYUJOGILCSEZFF-VBQJREDUSA-N 0 0 324.428 3.375 10 30 DGEERN C=CCNC(=O)c1ccc(N2CCC(C)=C(c3ccco3)C2)nc1 ZINC000374551816 433222961 /nfs/dbraw/zinc/22/29/61/433222961.db2.gz VVEFAPNSSWQNBJ-UHFFFAOYSA-N 0 0 323.396 3.274 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1cccc(Cl)c1 ZINC000425430190 433237144 /nfs/dbraw/zinc/23/71/44/433237144.db2.gz DNVWXKIWJSEKAN-HOCLYGCPSA-N 0 0 322.836 3.163 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCC1=CCCC1 ZINC000354724504 433239921 /nfs/dbraw/zinc/23/99/21/433239921.db2.gz HEZPCBIHKRDONY-UHFFFAOYSA-N 0 0 318.417 3.360 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000281006964 433251301 /nfs/dbraw/zinc/25/13/01/433251301.db2.gz DWKWZOPLUDUPDG-NOLJZWGESA-N 0 0 300.402 3.366 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000420781224 433255753 /nfs/dbraw/zinc/25/57/53/433255753.db2.gz ASIKWIQVHCYLDW-JKSUJKDBSA-N 0 0 318.417 3.008 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447717238 433261140 /nfs/dbraw/zinc/26/11/40/433261140.db2.gz DIOVFQUFGKCDDA-ZANVPECISA-N 0 0 319.298 3.368 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000281140787 433265317 /nfs/dbraw/zinc/26/53/17/433265317.db2.gz VEJOXSQJMSHRBW-ZNMIVQPWSA-N 0 0 301.386 3.032 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000447897265 433317412 /nfs/dbraw/zinc/31/74/12/433317412.db2.gz LSUGXLBBRCOYHI-UHFFFAOYSA-N 0 0 302.296 3.351 10 30 DGEERN C=CCCCNc1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000447819205 433289181 /nfs/dbraw/zinc/28/91/81/433289181.db2.gz XVSHWEGHNAQXQP-UHFFFAOYSA-N 0 0 302.378 3.975 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccccc3OC[C@H]2C)CCOCC1 ZINC000425559455 433303025 /nfs/dbraw/zinc/30/30/25/433303025.db2.gz HCCACEDODWBIRL-OAHLLOKOSA-N 0 0 315.413 3.169 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccccc1C ZINC000425564105 433303221 /nfs/dbraw/zinc/30/32/21/433303221.db2.gz AMBVNLLCZBAGHA-ZOBUZTSGSA-N 0 0 302.418 3.289 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000425565505 433304595 /nfs/dbraw/zinc/30/45/95/433304595.db2.gz OHNVAQAUHHNMSD-YOEHRIQHSA-N 0 0 314.429 3.081 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000281506843 433305846 /nfs/dbraw/zinc/30/58/46/433305846.db2.gz XDFRLOHYOSFTOZ-RDJZCZTQSA-N 0 0 318.417 3.133 10 30 DGEERN C=C(CC)CNC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000454256329 433348149 /nfs/dbraw/zinc/34/81/49/433348149.db2.gz BXHNPOGGAYFTLH-UHFFFAOYSA-N 0 0 314.332 3.062 10 30 DGEERN C=CCCCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000448042542 433357265 /nfs/dbraw/zinc/35/72/65/433357265.db2.gz JMQTVVGAXWOODW-UHFFFAOYSA-N 0 0 323.234 3.483 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nn(C)cc1Cl ZINC000420968905 433362545 /nfs/dbraw/zinc/36/25/45/433362545.db2.gz XNDMJUPWKYAJSI-UHFFFAOYSA-N 0 0 321.856 3.429 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375118717 433368559 /nfs/dbraw/zinc/36/85/59/433368559.db2.gz ANIKTQWYOZFGKM-IUODEOHRSA-N 0 0 306.406 3.011 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc([C@H](C)OCC)s1 ZINC000361665328 433328507 /nfs/dbraw/zinc/32/85/07/433328507.db2.gz AOYGCGWEOHLMSN-VIFPVBQESA-N 0 0 322.352 3.431 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCC(C)C ZINC000425637523 433331147 /nfs/dbraw/zinc/33/11/47/433331147.db2.gz LZCCXNZXOFPUTH-HOCLYGCPSA-N 0 0 318.417 3.434 10 30 DGEERN C=CCCCNC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000447985901 433337639 /nfs/dbraw/zinc/33/76/39/433337639.db2.gz BFWPINLPBYSRAX-ZDUSSCGKSA-N 0 0 314.389 3.106 10 30 DGEERN C=CCCCNC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000447994238 433340475 /nfs/dbraw/zinc/34/04/75/433340475.db2.gz UDOPXIRXKCGPOG-UHFFFAOYSA-N 0 0 318.808 3.922 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000425666120 433340579 /nfs/dbraw/zinc/34/05/79/433340579.db2.gz XELLAUXHKYMINN-YOEHRIQHSA-N 0 0 311.385 3.394 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000281662362 433340936 /nfs/dbraw/zinc/34/09/36/433340936.db2.gz JAAWKPDXDVANNT-ZJUUUORDSA-N 0 0 315.339 3.004 10 30 DGEERN C=CCCCNC(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000448001231 433344055 /nfs/dbraw/zinc/34/40/55/433344055.db2.gz SOUZABHLAMQVBR-UHFFFAOYSA-N 0 0 302.353 3.408 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000448565801 433426313 /nfs/dbraw/zinc/42/63/13/433426313.db2.gz OPCZCCMFVPBZAK-UHFFFAOYSA-N 0 0 308.385 3.139 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000454440088 433427395 /nfs/dbraw/zinc/42/73/95/433427395.db2.gz SEPYAIOGWBQLSM-OAHLLOKOSA-N 0 0 319.474 3.176 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000448322399 433387518 /nfs/dbraw/zinc/38/75/18/433387518.db2.gz RLGHQXJQWJXHNZ-UHFFFAOYSA-N 0 0 314.307 3.035 10 30 DGEERN C=CCCCNC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000448377808 433404403 /nfs/dbraw/zinc/40/44/03/433404403.db2.gz UANYZIVTSPKARM-DOTOQJQBSA-N 0 0 302.418 3.433 10 30 DGEERN CCc1onc(-c2ccccc2)c1C(=O)Nc1cc(C#N)ccn1 ZINC000361835834 433414538 /nfs/dbraw/zinc/41/45/38/433414538.db2.gz BTUFUADQXYEUTJ-UHFFFAOYSA-N 0 0 318.336 3.423 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000448584670 433437838 /nfs/dbraw/zinc/43/78/38/433437838.db2.gz ZTJMROWESSFMEI-UHFFFAOYSA-N 0 0 323.352 3.191 10 30 DGEERN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)n2C)cc1 ZINC000448610607 433452589 /nfs/dbraw/zinc/45/25/89/433452589.db2.gz JXGZVIHODXLFIB-QGZVFWFLSA-N 0 0 323.396 3.273 10 30 DGEERN COc1ccccc1CCN(C)c1snc(Cl)c1C#N ZINC000301209418 433455875 /nfs/dbraw/zinc/45/58/75/433455875.db2.gz UDSMJVYZYTUJKV-UHFFFAOYSA-N 0 0 307.806 3.356 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC000421267211 433469190 /nfs/dbraw/zinc/46/91/90/433469190.db2.gz VWVMWRYSEDZKCX-GASCZTMLSA-N 0 0 316.405 3.118 10 30 DGEERN N#Cc1cc(NCCc2cn3ccccc3n2)c2ccccc2n1 ZINC000301345690 433518805 /nfs/dbraw/zinc/51/88/05/433518805.db2.gz KFBNYMNEGIMCAR-UHFFFAOYSA-N 0 0 313.364 3.409 10 30 DGEERN C=CCOc1ccccc1CNCc1nn(C)c(C)c1Cl ZINC000421363197 433505361 /nfs/dbraw/zinc/50/53/61/433505361.db2.gz KZKLGPVMJMBIFR-UHFFFAOYSA-N 0 0 305.809 3.237 10 30 DGEERN Cc1ccc(CN(C(=O)c2ccc(C#N)n2C)C(C)C)s1 ZINC000448793054 433550837 /nfs/dbraw/zinc/55/08/37/433550837.db2.gz ROOFRPVDFRGHKQ-UHFFFAOYSA-N 0 0 301.415 3.318 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000448800024 433553794 /nfs/dbraw/zinc/55/37/94/433553794.db2.gz PXOYHXVVALZOPX-UHFFFAOYSA-N 0 0 309.369 3.076 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000448798296 433553989 /nfs/dbraw/zinc/55/39/89/433553989.db2.gz SHLSIZGJROHJNP-RBUKOAKNSA-N 0 0 307.393 3.466 10 30 DGEERN CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(C#N)n1C ZINC000448821618 433565640 /nfs/dbraw/zinc/56/56/40/433565640.db2.gz HINKLOKXRRSTHZ-UHFFFAOYSA-N 0 0 313.376 3.334 10 30 DGEERN COc1cccc(C2=CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 ZINC000448824643 433568425 /nfs/dbraw/zinc/56/84/25/433568425.db2.gz REJPPBRESVSCQB-UHFFFAOYSA-N 0 0 321.380 3.133 10 30 DGEERN C#CC[C@@H](Nc1ncnc2c1ncn2C1CC1)c1ccccc1 ZINC000292593655 433581124 /nfs/dbraw/zinc/58/11/24/433581124.db2.gz BIAFBJFUQFCUFK-OAHLLOKOSA-N 0 0 303.369 3.338 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCc2sccc2[C@H]1C ZINC000455437435 433542256 /nfs/dbraw/zinc/54/22/56/433542256.db2.gz TVXOKYHFZJXOAR-BNOWGMLFSA-N 0 0 306.431 3.110 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000282245429 433542342 /nfs/dbraw/zinc/54/23/42/433542342.db2.gz KIMGBIDPSDYZLS-LLVKDONJSA-N 0 0 300.328 3.120 10 30 DGEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301422676 433546758 /nfs/dbraw/zinc/54/67/58/433546758.db2.gz SPSRLQPVTMRLGM-CYBMUJFWSA-N 0 0 317.408 3.074 10 30 DGEERN Cc1noc(-c2ccnc(N[C@H](C)c3cccc(C#N)c3)c2)n1 ZINC000301429372 433548388 /nfs/dbraw/zinc/54/83/88/433548388.db2.gz IBZCNCYIIGTOPI-LLVKDONJSA-N 0 0 305.341 3.485 10 30 DGEERN C=CCCOCCNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000282897532 433638202 /nfs/dbraw/zinc/63/82/02/433638202.db2.gz TVVDZMJBWYZZPN-OAHLLOKOSA-N 0 0 317.429 3.338 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H](C)c2nc(C)cs2)cc1 ZINC000448886719 433595890 /nfs/dbraw/zinc/59/58/90/433595890.db2.gz PTKLRMOEQLLQPQ-CYBMUJFWSA-N 0 0 316.426 3.436 10 30 DGEERN Cc1cccc(C)c1CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000165008040 292878085 /nfs/dbraw/zinc/87/80/85/292878085.db2.gz GWBIHZFIFNYNNR-INIZCTEOSA-N 0 0 322.408 3.301 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000292849317 433602278 /nfs/dbraw/zinc/60/22/78/433602278.db2.gz QIIWOUWODYELCW-JKSUJKDBSA-N 0 0 322.399 3.429 10 30 DGEERN CCc1noc(COc2ccc(Oc3ncccc3C#N)cc2)n1 ZINC000362265163 433613074 /nfs/dbraw/zinc/61/30/74/433613074.db2.gz DZJIMCYOWKHKJT-UHFFFAOYSA-N 0 0 322.324 3.270 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC000421536272 433614832 /nfs/dbraw/zinc/61/48/32/433614832.db2.gz NQNNJHCNHSRVNR-CJNGLKHVSA-N 0 0 302.418 3.090 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC000282518998 433615461 /nfs/dbraw/zinc/61/54/61/433615461.db2.gz GJCABGLOMHKZTG-GJZGRUSLSA-N 0 0 312.417 3.053 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414509965 433673186 /nfs/dbraw/zinc/67/31/86/433673186.db2.gz CWUPCDXLXVPNSO-MRXNPFEDSA-N 0 0 318.465 3.058 10 30 DGEERN C=CCC1(CNC(=O)c2cccc(-n3cncn3)c2)CCCC1 ZINC000456483440 433685401 /nfs/dbraw/zinc/68/54/01/433685401.db2.gz HFRNIAVIXKHSCN-UHFFFAOYSA-N 0 0 310.401 3.134 10 30 DGEERN C=CCC1(CNC(=O)Cn2ccc(=O)c3ccccc32)CCCC1 ZINC000456486278 433688246 /nfs/dbraw/zinc/68/82/46/433688246.db2.gz NBPTVPRDJBGFRR-UHFFFAOYSA-N 0 0 324.424 3.254 10 30 DGEERN C=CCC1(CNC(=O)[C@@H](OC)c2ccc(O)cc2)CCCC1 ZINC000456491277 433689174 /nfs/dbraw/zinc/68/91/74/433689174.db2.gz ZKPGPOPBFVERAS-INIZCTEOSA-N 0 0 303.402 3.332 10 30 DGEERN C=CCC1(CNC(=O)C[C@H](O)Cc2ccccc2)CCCC1 ZINC000456499938 433691672 /nfs/dbraw/zinc/69/16/72/433691672.db2.gz CESCZZIODBYFPA-QGZVFWFLSA-N 0 0 301.430 3.233 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CCOCC ZINC000283631961 433753322 /nfs/dbraw/zinc/75/33/22/433753322.db2.gz OMQLOIBSGYTZKO-UHFFFAOYSA-N 0 0 318.421 3.204 10 30 DGEERN C=CCC1(C(=O)NCc2cccc(OCCOC)c2)CCCC1 ZINC000449760350 433772841 /nfs/dbraw/zinc/77/28/41/433772841.db2.gz NWEILGJKRIZSRQ-UHFFFAOYSA-N 0 0 317.429 3.465 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000283946376 433805793 /nfs/dbraw/zinc/80/57/93/433805793.db2.gz NBHRATYONRRVLO-OAHLLOKOSA-N 0 0 322.836 3.332 10 30 DGEERN C=CCO[C@H]1CCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000302118759 433810574 /nfs/dbraw/zinc/81/05/74/433810574.db2.gz CWJIJSKAUVQWJH-NSHDSACASA-N 0 0 305.328 3.349 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000456765812 433815504 /nfs/dbraw/zinc/81/55/04/433815504.db2.gz HIMYFJQDYZLVSM-LLVKDONJSA-N 0 0 320.776 3.052 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@@H](CC)Oc1ccccc1C(C)C ZINC000456775262 433822070 /nfs/dbraw/zinc/82/20/70/433822070.db2.gz KSFZIOLEEBFUGH-DOTOQJQBSA-N 0 0 319.445 3.411 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000456775265 433822099 /nfs/dbraw/zinc/82/20/99/433822099.db2.gz KSFZIOLEEBFUGH-RDJZCZTQSA-N 0 0 319.445 3.411 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1ncnc2c3ccccc3oc21 ZINC000435584510 433877037 /nfs/dbraw/zinc/87/70/37/433877037.db2.gz MCPNQLOTJLVRCD-WBMJQRKESA-N 0 0 309.369 3.769 10 30 DGEERN C[C@@H](C(=O)N(c1ccccc1)C1CCCCC1)n1cnc(C#N)n1 ZINC000357021830 433826090 /nfs/dbraw/zinc/82/60/90/433826090.db2.gz GBWKVJQFRLBTKC-AWEZNQCLSA-N 0 0 323.400 3.077 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000362774645 433856747 /nfs/dbraw/zinc/85/67/47/433856747.db2.gz QEQOSVIQMQBUFQ-GFCCVEGCSA-N 0 0 319.430 3.249 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000434298338 433862630 /nfs/dbraw/zinc/86/26/30/433862630.db2.gz HLJDWBFTRXFMRE-CQSZACIVSA-N 0 0 312.479 3.039 10 30 DGEERN C=CCC(CC=C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456944846 433899516 /nfs/dbraw/zinc/89/95/16/433899516.db2.gz YAGBUHIFNXANFB-UHFFFAOYSA-N 0 0 318.383 3.240 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449973356 433904445 /nfs/dbraw/zinc/90/44/45/433904445.db2.gz QRSPJOWSRQIFBT-PXAZEXFGSA-N 0 0 311.360 3.259 10 30 DGEERN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000285164939 433917899 /nfs/dbraw/zinc/91/78/99/433917899.db2.gz PUSPWTHTLICPAV-MJGOQNOKSA-N 0 0 313.445 3.097 10 30 DGEERN C=CCOCc1nc(Cc2cc(Br)cs2)no1 ZINC000436291238 433930408 /nfs/dbraw/zinc/93/04/08/433930408.db2.gz KXZCTDIKTQXOKI-UHFFFAOYSA-N 0 0 315.192 3.187 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC(F)(F)CN ZINC000415590013 433985399 /nfs/dbraw/zinc/98/53/99/433985399.db2.gz ZQFVNJJHNQMXPY-UHFFFAOYSA-N 0 0 311.376 3.254 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000450156151 434000771 /nfs/dbraw/zinc/00/07/71/434000771.db2.gz JSWYGMMQPKXACK-AWEZNQCLSA-N 0 0 309.356 3.488 10 30 DGEERN N#Cc1cccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000340235725 434000935 /nfs/dbraw/zinc/00/09/35/434000935.db2.gz JHGJJBOKKDBVQZ-MAUKXSAKSA-N 0 0 314.335 3.144 10 30 DGEERN Cc1cc([C@@H](NC(=O)c2ccc(C#N)n2C)C2CC2)ccc1F ZINC000450276061 434070372 /nfs/dbraw/zinc/07/03/72/434070372.db2.gz HGBKENUUDQIXMJ-KRWDZBQOSA-N 0 0 311.360 3.225 10 30 DGEERN C#CCCCCNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000378067248 434071004 /nfs/dbraw/zinc/07/10/04/434071004.db2.gz CGMKMCOSSJKPRD-SJORKVTESA-N 0 0 300.402 3.009 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1nc(C)sc1C ZINC000285957529 434117843 /nfs/dbraw/zinc/11/78/43/434117843.db2.gz VUFKJTMNFFCIGV-INIZCTEOSA-N 0 0 312.438 3.053 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn(CCCC)nc1C ZINC000285968848 434122249 /nfs/dbraw/zinc/12/22/49/434122249.db2.gz WIVZIVNVSXQLQJ-SFHVURJKSA-N 0 0 323.440 3.356 10 30 DGEERN C=CCCS(=O)(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000416591379 434142550 /nfs/dbraw/zinc/14/25/50/434142550.db2.gz LLMMCXOBLFUBRA-INIZCTEOSA-N 0 0 305.443 3.162 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1cnc(C2CC2)nc1N ZINC000357715756 434145568 /nfs/dbraw/zinc/14/55/68/434145568.db2.gz OMYJKYHVUGHXMG-UHFFFAOYSA-N 0 0 308.385 3.307 10 30 DGEERN C=CCOc1ccc(CNc2cccc(S(C)(=O)=O)c2)cc1 ZINC000314744684 434149138 /nfs/dbraw/zinc/14/91/38/434149138.db2.gz OYUWQXGMGSBNQZ-UHFFFAOYSA-N 0 0 317.410 3.267 10 30 DGEERN N#CC1(c2ccc(C(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000294863147 434151402 /nfs/dbraw/zinc/15/14/02/434151402.db2.gz OBCNBMZXLUHSDI-XLIONFOSSA-N 0 0 322.408 3.025 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000363812283 434154957 /nfs/dbraw/zinc/15/49/57/434154957.db2.gz FBCUHKGSEKYLPH-AWEZNQCLSA-N 0 0 317.429 3.307 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000450427986 434171650 /nfs/dbraw/zinc/17/16/50/434171650.db2.gz UNIWATAMQLBDFI-YUELXQCFSA-N 0 0 321.804 3.261 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416738223 434183748 /nfs/dbraw/zinc/18/37/48/434183748.db2.gz ZDPFVSMDGNAJEP-HNNXBMFYSA-N 0 0 317.433 3.155 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000457504346 434208900 /nfs/dbraw/zinc/20/89/00/434208900.db2.gz AURKQCCYFHENPW-HLLBOEOZSA-N 0 0 312.369 3.012 10 30 DGEERN C=CCOc1ccccc1CNC(=O)[C@@H](C)CC(F)(F)F ZINC000457567331 434240680 /nfs/dbraw/zinc/24/06/80/434240680.db2.gz VOJXWVVGXLJQSR-NSHDSACASA-N 0 0 301.308 3.456 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000364642027 434276193 /nfs/dbraw/zinc/27/61/93/434276193.db2.gz ZBXFELFHJSDFOW-OALUTQOASA-N 0 0 301.430 3.405 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC000437478437 434268122 /nfs/dbraw/zinc/26/81/22/434268122.db2.gz BWPNYUOACLUVAX-BDJLRTHQSA-N 0 0 303.333 3.283 10 30 DGEERN C/C=C\COc1cccc(CC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000450501197 434231972 /nfs/dbraw/zinc/23/19/72/434231972.db2.gz PTLFJFYANILGAF-ARJAWSKDSA-N 0 0 312.413 3.336 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(C)n1)OCC ZINC000364112300 434236080 /nfs/dbraw/zinc/23/60/80/434236080.db2.gz WGQYBOBUHWOLKC-CABCVRRESA-N 0 0 321.421 3.193 10 30 DGEERN C=CC1CCN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000364552812 434278811 /nfs/dbraw/zinc/27/88/11/434278811.db2.gz YXBCOOHKWSKCJV-AWEZNQCLSA-N 0 0 301.434 3.063 10 30 DGEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC2(CCOCC2)CC1 ZINC000457638895 434278820 /nfs/dbraw/zinc/27/88/20/434278820.db2.gz XBKPABDTZIGRPV-IRXDYDNUSA-N 0 0 321.461 3.213 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)c1ccccc1F ZINC000437520143 434279959 /nfs/dbraw/zinc/27/99/59/434279959.db2.gz PUYJTBKPCIGSAT-XJKSGUPXSA-N 0 0 305.393 3.201 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC000437521649 434280118 /nfs/dbraw/zinc/28/01/18/434280118.db2.gz CKKAABXISFDOEN-YVEFUNNKSA-N 0 0 316.376 3.028 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CC1 ZINC000286675216 434286243 /nfs/dbraw/zinc/28/62/43/434286243.db2.gz FRBPDOXBRGNQEL-IBGZPJMESA-N 0 0 303.405 3.469 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000450602727 434288095 /nfs/dbraw/zinc/28/80/95/434288095.db2.gz DTYNPHRDJMHWOJ-UHFFFAOYSA-N 0 0 319.286 3.118 10 30 DGEERN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(C)C ZINC000328615613 434289007 /nfs/dbraw/zinc/28/90/07/434289007.db2.gz AYRMMADJHJAQCJ-QPSCCSFWSA-N 0 0 317.433 3.445 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccccn1 ZINC000286761244 434290670 /nfs/dbraw/zinc/29/06/70/434290670.db2.gz UDXRUIONHLBXNF-WBVHZDCISA-N 0 0 307.397 3.076 10 30 DGEERN C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)C1CCC1 ZINC000328626336 434290692 /nfs/dbraw/zinc/29/06/92/434290692.db2.gz LOUQXCJFGFBNKJ-KBRIMQKVSA-N 0 0 302.418 3.456 10 30 DGEERN C=CCNc1nnc(S[C@@H](C)C(=O)C2CCCCC2)s1 ZINC000450605625 434293668 /nfs/dbraw/zinc/29/36/68/434293668.db2.gz AIMLYITVGNTNTK-JTQLQIEISA-N 0 0 311.476 3.766 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000417092508 434294535 /nfs/dbraw/zinc/29/45/35/434294535.db2.gz FTVCVYIBGJSEFE-GDBMZVCRSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCNc1nnc(SCc2cc(C(C)(C)C)on2)s1 ZINC000450614536 434297303 /nfs/dbraw/zinc/29/73/03/434297303.db2.gz WKKWNEYUEDVQKX-UHFFFAOYSA-N 0 0 310.448 3.714 10 30 DGEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)C(=O)N1CCCC[C@H]1C ZINC000328686205 434298575 /nfs/dbraw/zinc/29/85/75/434298575.db2.gz YAFCZNLUNLTCDJ-RDBSUJKOSA-N 0 0 323.437 3.022 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N(CCC)CCc1ccccn1 ZINC000286968568 434298568 /nfs/dbraw/zinc/29/85/68/434298568.db2.gz NMHMZPGBQRUPEG-SFHVURJKSA-N 0 0 304.434 3.092 10 30 DGEERN C#CCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000365401699 434300410 /nfs/dbraw/zinc/30/04/10/434300410.db2.gz GLXJCVBYFARVMF-XHSDSOJGSA-N 0 0 319.445 3.291 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365604514 434304071 /nfs/dbraw/zinc/30/40/71/434304071.db2.gz WBEYWPTXEDYDFA-TZIWHRDSSA-N 0 0 319.404 3.104 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CSCc1ccccn1 ZINC000287161999 434305945 /nfs/dbraw/zinc/30/59/45/434305945.db2.gz GPVIHRJOXRMTPF-QGZVFWFLSA-N 0 0 324.449 3.066 10 30 DGEERN C[C@H](NC(=O)[C@@H]1CCc2ccccc21)c1nnc2n1CCCC2 ZINC000328952197 434334039 /nfs/dbraw/zinc/33/40/39/434334039.db2.gz XOTSWUXFKRPWOB-SWLSCSKDSA-N 0 0 310.401 3.362 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H](C)CC(F)(F)F)cc1 ZINC000457820238 434362859 /nfs/dbraw/zinc/36/28/59/434362859.db2.gz VDAHCKPDJHEHSU-NSHDSACASA-N 0 0 301.308 3.456 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCS[C@@H](C)CC1 ZINC000287522512 434384417 /nfs/dbraw/zinc/38/44/17/434384417.db2.gz VCOWZDSGGYBGMJ-RDJZCZTQSA-N 0 0 316.470 3.158 10 30 DGEERN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000329304603 434390526 /nfs/dbraw/zinc/39/05/26/434390526.db2.gz XHWDAQMRPHYPEF-MLHJIOFPSA-N 0 0 314.429 3.394 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000287439129 434360894 /nfs/dbraw/zinc/36/08/94/434360894.db2.gz FWFLHHLMAPAXPD-GFCCVEGCSA-N 0 0 305.324 3.128 10 30 DGEERN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329615602 434445849 /nfs/dbraw/zinc/44/58/49/434445849.db2.gz SFQPWTFLNGRTGE-JKJDWNRSSA-N 0 0 314.433 3.227 10 30 DGEERN CC(C)c1nnc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000358559903 434396915 /nfs/dbraw/zinc/39/69/15/434396915.db2.gz DWBNAIRLLLDXQL-MNOVXSKESA-N 0 0 301.369 3.351 10 30 DGEERN CN(C)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000358570724 434397780 /nfs/dbraw/zinc/39/77/80/434397780.db2.gz RPQMPGBDDUDULA-UHFFFAOYSA-N 0 0 320.352 3.253 10 30 DGEERN C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572469 434399554 /nfs/dbraw/zinc/39/95/54/434399554.db2.gz QBLSEBYPLDJJOQ-APPDUMDISA-N 0 0 302.324 3.221 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCOc2ccccc21 ZINC000287581367 434401960 /nfs/dbraw/zinc/40/19/60/434401960.db2.gz XNTGKWFYFSOEEF-HKUYNNGSSA-N 0 0 319.404 3.304 10 30 DGEERN C=C(CNc1cc(C)nc(-c2cccnc2)n1)c1ccccc1 ZINC000340867977 434402426 /nfs/dbraw/zinc/40/24/26/434402426.db2.gz BYLGAJSFTCGSTC-UHFFFAOYSA-N 0 0 302.381 3.972 10 30 DGEERN C=CCC[C@@H](NC(=O)N[C@](C)(CO)C(C)C)c1ccccc1 ZINC000358800403 434406147 /nfs/dbraw/zinc/40/61/47/434406147.db2.gz BIACSGCEDCAPAQ-SJLPKXTDSA-N 0 0 304.434 3.400 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000417498122 434412324 /nfs/dbraw/zinc/41/23/24/434412324.db2.gz FIKLRUVIVKKZAX-GBJTYRQASA-N 0 0 304.438 3.186 10 30 DGEERN CC(C)n1ncc2c1C[C@@H](NC(=O)CCc1nccs1)CC2 ZINC000329541711 434430152 /nfs/dbraw/zinc/43/01/52/434430152.db2.gz XKURLBUBAKBKTB-ZDUSSCGKSA-N 0 0 318.446 3.367 10 30 DGEERN C#CCC(CC#C)C(=O)NCC1(c2cccc(OC)c2)CCCC1 ZINC000287738298 434438968 /nfs/dbraw/zinc/43/89/68/434438968.db2.gz VWWUHYILCJRPLV-UHFFFAOYSA-N 0 0 323.436 3.286 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000287869007 434471614 /nfs/dbraw/zinc/47/16/14/434471614.db2.gz SXCIXESTHJYAJN-QGZVFWFLSA-N 0 0 314.429 3.069 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000417626221 434476750 /nfs/dbraw/zinc/47/67/50/434476750.db2.gz NRXUVTSLQUTTFT-CQSZACIVSA-N 0 0 304.777 3.397 10 30 DGEERN O=C(NCc1ccc(O)cc1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329863620 434496303 /nfs/dbraw/zinc/49/63/03/434496303.db2.gz ZGCXBGOOZXFDST-KRWDZBQOSA-N 0 0 318.417 3.087 10 30 DGEERN COc1ccc2c(c1)CCN(c1cc(C#N)ccc1C(C)=O)CC2 ZINC000438880739 434538423 /nfs/dbraw/zinc/53/84/23/434538423.db2.gz BZZUAKFJXLIGHD-UHFFFAOYSA-N 0 0 320.392 3.375 10 30 DGEERN C[C@@H]1CC(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000408080600 434540629 /nfs/dbraw/zinc/54/06/29/434540629.db2.gz SAUWKXYTWQUMEN-HUUCEWRRSA-N 0 0 324.424 3.378 10 30 DGEERN Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000408230760 434554056 /nfs/dbraw/zinc/55/40/56/434554056.db2.gz DEKWOHDKWNDBRP-WCQYABFASA-N 0 0 321.218 3.488 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000408327218 434562974 /nfs/dbraw/zinc/56/29/74/434562974.db2.gz AGSRYUGBSIHGGC-CJNGLKHVSA-N 0 0 307.397 3.469 10 30 DGEERN C=CCn1c(SCC[C@H](C)O)nc2cc(Cl)ccc2c1=O ZINC000439276203 434586072 /nfs/dbraw/zinc/58/60/72/434586072.db2.gz QGCLXIHMYMJZPB-JTQLQIEISA-N 0 0 324.833 3.099 10 30 DGEERN C#CCCNC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370502999 434613523 /nfs/dbraw/zinc/61/35/23/434613523.db2.gz MWENLEPGKHFIHM-MRXNPFEDSA-N 0 0 313.788 3.147 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@](F)(c2ccccc2C)C1 ZINC000409735952 434619762 /nfs/dbraw/zinc/61/97/62/434619762.db2.gz FLWATNUQRUAJLK-QGZVFWFLSA-N 0 0 322.449 3.494 10 30 DGEERN C=CCc1cc(C(=O)N2CC[C@@H]2C2CC2)cc(OC)c1OC ZINC000452494495 434627633 /nfs/dbraw/zinc/62/76/33/434627633.db2.gz BIBDBMILFBHLJF-OAHLLOKOSA-N 0 0 301.386 3.057 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(CCC#N)CC1CC1 ZINC000424127790 434630907 /nfs/dbraw/zinc/63/09/07/434630907.db2.gz QSNDCDJGEPXQGL-AWEZNQCLSA-N 0 0 317.462 3.162 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000424125090 434631028 /nfs/dbraw/zinc/63/10/28/434631028.db2.gz NJDRMQQGPBUBMC-FRRDWIJNSA-N 0 0 304.463 3.124 10 30 DGEERN C=CC[C@H](CO)NC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000410072646 434632326 /nfs/dbraw/zinc/63/23/26/434632326.db2.gz PPYLVOOBANINEO-HXUWFJFHSA-N 0 0 323.436 3.141 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000370019152 434606619 /nfs/dbraw/zinc/60/66/19/434606619.db2.gz KGSHPFLHUKJTIS-ZDUSSCGKSA-N 0 0 322.478 3.392 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CCCC1 ZINC000410491739 434651097 /nfs/dbraw/zinc/65/10/97/434651097.db2.gz WGUPMDNBPXPSCN-UHFFFAOYSA-N 0 0 321.442 3.474 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000410634960 434662625 /nfs/dbraw/zinc/66/26/25/434662625.db2.gz VMKYUBPTMBEFKC-KCJUWKMLSA-N 0 0 301.720 3.456 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CCOCC1 ZINC000424579265 434748352 /nfs/dbraw/zinc/74/83/52/434748352.db2.gz CJHCPXDQYQGKGC-UHFFFAOYSA-N 0 0 311.385 3.388 10 30 DGEERN C=CCC1(C(=O)NCc2cccc(OCC)c2)CCOCC1 ZINC000424592826 434751279 /nfs/dbraw/zinc/75/12/79/434751279.db2.gz OZVUKSZBDIAGCM-UHFFFAOYSA-N 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318.417 3.134 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C(=O)OC)ccc2C)CCOCC1 ZINC000424542687 434734965 /nfs/dbraw/zinc/73/49/65/434734965.db2.gz WMNJQGXKNQKNLZ-UHFFFAOYSA-N 0 0 317.385 3.093 10 30 DGEERN C=CCC1(C(=O)N(C)CCOc2ccc(C)cc2)CCOCC1 ZINC000424564898 434743325 /nfs/dbraw/zinc/74/33/25/434743325.db2.gz PSUFKBUHYMWIFA-UHFFFAOYSA-N 0 0 317.429 3.205 10 30 DGEERN C=CCC1(C(=O)N[C@H](CC)c2nc(C)cs2)CCOCC1 ZINC000424643921 434767972 /nfs/dbraw/zinc/76/79/72/434767972.db2.gz GOVBDAGPBLMIBF-CYBMUJFWSA-N 0 0 308.447 3.392 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)COc2cccc(C)c2)CCOCC1 ZINC000424606972 434756659 /nfs/dbraw/zinc/75/66/59/434756659.db2.gz KNDDKQRSBQVNLT-INIZCTEOSA-N 0 0 317.429 3.251 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000452929612 434759262 /nfs/dbraw/zinc/75/92/62/434759262.db2.gz VAQCACPOXVPLIN-PMPSAXMXSA-N 0 0 305.443 3.263 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000452928202 434759668 /nfs/dbraw/zinc/75/96/68/434759668.db2.gz 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COC(=O)c1c(Br)c(C#N)ccc1OC(F)(F)F ZINC000575383324 435033145 /nfs/dbraw/zinc/03/31/45/435033145.db2.gz ABWJIAQIYWBZDY-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1Br ZINC000575382765 435033149 /nfs/dbraw/zinc/03/31/49/435033149.db2.gz UAKIKNLUJUFNLZ-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1c(C)cc(C)cc1C ZINC000575118303 435006686 /nfs/dbraw/zinc/00/66/86/435006686.db2.gz MUJRTSZDNWONJZ-WMZOPIPTSA-N 0 0 316.445 3.045 10 30 DGEERN CCOC(=O)Cc1cc(Cl)c(C#N)cc1OC(F)(F)F ZINC000575383078 435033348 /nfs/dbraw/zinc/03/33/48/435033348.db2.gz FTRSDLKCQGDBCC-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(Cl)cc1OC(F)(F)F ZINC000575383541 435033387 /nfs/dbraw/zinc/03/33/87/435033387.db2.gz ZHGAZZUCJDQCAW-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COC(=O)Cc1c(Br)c(C#N)ccc1C(F)(F)F ZINC000575383563 435033406 /nfs/dbraw/zinc/03/34/06/435033406.db2.gz AMEOOVBTLWWVHA-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN 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DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2sc(Cl)cc2C1 ZINC000578010107 435063988 /nfs/dbraw/zinc/06/39/88/435063988.db2.gz XZWAGTDJKZDKQI-GFCCVEGCSA-N 0 0 324.877 3.349 10 30 DGEERN CC(C)c1nc(CCNC(=O)Cc2cccc(C#N)c2)cs1 ZINC000531153682 435073827 /nfs/dbraw/zinc/07/38/27/435073827.db2.gz NWGFUTFPSGUHQB-UHFFFAOYSA-N 0 0 313.426 3.040 10 30 DGEERN C=CCCCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558263776 435084234 /nfs/dbraw/zinc/08/42/34/435084234.db2.gz JDIYZQHOEVYBID-UHFFFAOYSA-N 0 0 301.346 3.091 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCOC)CCOc1ccc(F)cc1 ZINC000466646451 435086114 /nfs/dbraw/zinc/08/61/14/435086114.db2.gz IZEABODBKVNRNT-HNNXBMFYSA-N 0 0 323.408 3.282 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC000529243957 435035130 /nfs/dbraw/zinc/03/51/30/435035130.db2.gz JEHYODQSIYHHTC-CHWSQXEVSA-N 0 0 301.377 3.299 10 30 DGEERN CCOC(=O)c1c(OC)ccc(C#N)c1SC(F)(F)F ZINC000575394188 435035548 /nfs/dbraw/zinc/03/55/48/435035548.db2.gz GUPCFOWDJVUUBS-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)cc1C=O ZINC000575391496 435035620 /nfs/dbraw/zinc/03/56/20/435035620.db2.gz OBNIHSVQWBESQX-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1cc(F)c(C#N)cc1SC(F)(F)F ZINC000575390716 435035723 /nfs/dbraw/zinc/03/57/23/435035723.db2.gz SZKSFKUBDGSRTQ-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1cc(F)cc(C#N)c1SC(F)(F)F ZINC000575390592 435035779 /nfs/dbraw/zinc/03/57/79/435035779.db2.gz BYWSDXGSIUAJBA-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1OC ZINC000575395010 435036476 /nfs/dbraw/zinc/03/64/76/435036476.db2.gz SZVXHCUKHRGCOS-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCc1ccc(C#N)c(I)c1OC(F)F ZINC000575656286 435039427 /nfs/dbraw/zinc/03/94/27/435039427.db2.gz UIIGFIRAUNIMSD-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1ccc(CC#N)c(OC(F)F)c1I ZINC000575664261 435040639 /nfs/dbraw/zinc/04/06/39/435040639.db2.gz VUIQDJJCZUFMEC-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN N#Cc1cc([N+](=O)[O-])cc(I)c1C(F)F ZINC000575670354 435042263 /nfs/dbraw/zinc/04/22/63/435042263.db2.gz BYIYFGHTRZOBNB-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN CCOc1c(I)cc(C)cc1CC#N ZINC000575697986 435046756 /nfs/dbraw/zinc/04/67/56/435046756.db2.gz WEIWDNKJMISNSY-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CCOc1cc(CC)c(I)cc1CC#N ZINC000575695447 435046818 /nfs/dbraw/zinc/04/68/18/435046818.db2.gz KNMYAKAGIMODML-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN CCOc1cc(CC#N)cc(I)c1C ZINC000575697742 435047071 /nfs/dbraw/zinc/04/70/71/435047071.db2.gz JOONECUUTLKZLU-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN COC(=O)c1c(OC(F)(F)F)ccc(OC(F)(F)F)c1F ZINC000575710763 435049106 /nfs/dbraw/zinc/04/91/06/435049106.db2.gz MQISQHJGJMVWGI-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)cc2c(C)ccnc12 ZINC000576220870 435053784 /nfs/dbraw/zinc/05/37/84/435053784.db2.gz GGOLIRARLXEXAE-YOEHRIQHSA-N 0 0 310.397 3.173 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(OC)ccc1Cl ZINC000576764667 435057168 /nfs/dbraw/zinc/05/71/68/435057168.db2.gz AJXXDLWTZKOLEM-UHFFFAOYSA-N 0 0 324.808 3.150 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000576698660 435057560 /nfs/dbraw/zinc/05/75/60/435057560.db2.gz BPLFKNFDXFIDKO-HOCLYGCPSA-N 0 0 318.417 3.495 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000469538069 435131455 /nfs/dbraw/zinc/13/14/55/435131455.db2.gz QGSAUPQJMXKRCH-LVQVYYBASA-N 0 0 309.450 3.068 10 30 DGEERN CCC1(CC)[C@H](N(C)C(=O)Cc2cccc(C#N)c2)C[C@@H]1OC ZINC000532012218 435134547 /nfs/dbraw/zinc/13/45/47/435134547.db2.gz VBRXSSQWBBVBQC-SJORKVTESA-N 0 0 314.429 3.153 10 30 DGEERN C=CCCCCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000474678654 435155114 /nfs/dbraw/zinc/15/51/14/435155114.db2.gz BPKXCLPWEVOWFA-UHFFFAOYSA-N 0 0 322.206 3.412 10 30 DGEERN C=C(C)COCCNC(=O)NCCc1cccc2ccccc21 ZINC000474811844 435162324 /nfs/dbraw/zinc/16/23/24/435162324.db2.gz RSPMCECYQQMKBK-UHFFFAOYSA-N 0 0 312.413 3.274 10 30 DGEERN CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000475693044 435208149 /nfs/dbraw/zinc/20/81/49/435208149.db2.gz HTYGWDSPDDXCGT-ZMLRMANQSA-N 0 0 312.291 3.107 10 30 DGEERN Cc1cc(C#N)nc(NC[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000561306021 435210013 /nfs/dbraw/zinc/21/00/13/435210013.db2.gz WAKRXYMWJCKAEM-SNVBAGLBSA-N 0 0 320.318 3.891 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000583495143 435242357 /nfs/dbraw/zinc/24/23/57/435242357.db2.gz ROPZJUMQVMBCTF-LPHOPBHVSA-N 0 0 322.408 3.378 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc(-c2ccccc2)n1 ZINC000583436234 435242674 /nfs/dbraw/zinc/24/26/74/435242674.db2.gz WZJYLOWOQSFAAX-ZFWWWQNUSA-N 0 0 314.410 3.131 10 30 DGEERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCC2(C#N)CC2)o1 ZINC000562394950 435258457 /nfs/dbraw/zinc/25/84/57/435258457.db2.gz PQYSSKAYKXUWIC-JSGCOSHPSA-N 0 0 301.390 3.374 10 30 DGEERN Cc1cc(C#N)nc(NC[C@@H](C)Oc2ccc(C(C)C)cc2)n1 ZINC000563718543 435270248 /nfs/dbraw/zinc/27/02/48/435270248.db2.gz SXUDBTFAKBBDRG-CQSZACIVSA-N 0 0 310.401 3.660 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000564634674 435272695 /nfs/dbraw/zinc/27/26/95/435272695.db2.gz WHIVMVOETCQVML-TVFCKZIOSA-N 0 0 314.429 3.356 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC000564730245 435273979 /nfs/dbraw/zinc/27/39/79/435273979.db2.gz OBNNNUDWCKCIFP-BZNIZROVSA-N 0 0 303.333 3.283 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC000565499130 435279601 /nfs/dbraw/zinc/27/96/01/435279601.db2.gz SNJKUEYJQYSALH-CVEARBPZSA-N 0 0 324.852 3.316 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC000565499131 435279729 /nfs/dbraw/zinc/27/97/29/435279729.db2.gz SNJKUEYJQYSALH-HOTGVXAUSA-N 0 0 324.852 3.316 10 30 DGEERN Cc1nnc(-c2cccc(C(=O)NCC3CCC(C#N)CC3)c2)o1 ZINC000566776123 435288138 /nfs/dbraw/zinc/28/81/38/435288138.db2.gz GNYRKZMGZWPRJY-UHFFFAOYSA-N 0 0 324.384 3.105 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC=C ZINC000508810667 435310400 /nfs/dbraw/zinc/31/04/00/435310400.db2.gz DFUHZCHLRMPTFJ-UHFFFAOYSA-N 0 0 307.401 3.405 10 30 DGEERN C=CCCCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000514872217 435445883 /nfs/dbraw/zinc/44/58/83/435445883.db2.gz HEOBRIHIHPHGNY-UHFFFAOYSA-N 0 0 302.334 3.402 10 30 DGEERN C=CCn1c(SCc2coc(C)n2)nnc1-c1ccco1 ZINC000515185019 435467090 /nfs/dbraw/zinc/46/70/90/435467090.db2.gz QXVOMMPNZOUQDO-UHFFFAOYSA-N 0 0 302.359 3.313 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000568816373 435473561 /nfs/dbraw/zinc/47/35/61/435473561.db2.gz JBDLLRRNHLYKRN-KGLIPLIRSA-N 0 0 308.495 3.383 10 30 DGEERN C=CCCCCS(=O)(=O)Cc1noc(-c2ccccc2C)n1 ZINC000568844165 435475699 /nfs/dbraw/zinc/47/56/99/435475699.db2.gz UQODGVVXTBEJQX-UHFFFAOYSA-N 0 0 320.414 3.316 10 30 DGEERN N#Cc1ccsc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481518983 435430055 /nfs/dbraw/zinc/43/00/55/435430055.db2.gz RZNIBVZJPMRHMR-MQMHXKEQSA-N 0 0 300.358 3.435 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000568384268 435431024 /nfs/dbraw/zinc/43/10/24/435431024.db2.gz OWIQQBPLEZNMRN-NJAFHUGGSA-N 0 0 316.445 3.125 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000538604413 435509036 /nfs/dbraw/zinc/50/90/36/435509036.db2.gz VULFQOQSLNUWSR-QGZVFWFLSA-N 0 0 316.445 3.125 10 30 DGEERN C=CCN(C(=O)[C@@H]1C[C@H]1C(C)C)c1nc(C(=O)OCC)cs1 ZINC000483963827 435535683 /nfs/dbraw/zinc/53/56/83/435535683.db2.gz SJBSIHQZABOZEI-NWDGAFQWSA-N 0 0 322.430 3.131 10 30 DGEERN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000484561391 435547595 /nfs/dbraw/zinc/54/75/95/435547595.db2.gz FPQBYMZPKIHNDW-OXJNMPFZSA-N 0 0 322.408 3.399 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cn2)CCCC1(C)C ZINC000569670697 435551433 /nfs/dbraw/zinc/55/14/33/435551433.db2.gz QECKIVPZDPCBTR-AWEZNQCLSA-N 0 0 303.362 3.197 10 30 DGEERN C=CCCCCS(=O)(=O)Cc1cncn1Cc1ccccc1 ZINC000570379666 435614624 /nfs/dbraw/zinc/61/46/24/435614624.db2.gz YOSJPCQUZWSEPJ-UHFFFAOYSA-N 0 0 318.442 3.203 10 30 DGEERN C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)CCC ZINC000570663721 435638710 /nfs/dbraw/zinc/63/87/10/435638710.db2.gz TVWAWDYLANGYHU-UHFFFAOYSA-N 0 0 314.433 3.322 10 30 DGEERN N#Cc1cnccc1N[C@@H]1CCc2c1cccc2Br ZINC000548152590 435672519 /nfs/dbraw/zinc/67/25/19/435672519.db2.gz ZGESGWFBKFUFDQ-OAHLLOKOSA-N 0 0 314.186 3.237 10 30 DGEERN C=CC(C)(C)CNC(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000520400378 435741998 /nfs/dbraw/zinc/74/19/98/435741998.db2.gz HLGAYILOTBZZKK-GFCCVEGCSA-N 0 0 306.431 3.051 10 30 DGEERN Cc1cc(C#N)nc(NCCCCOc2ccc(Cl)cc2)n1 ZINC000571542931 435715301 /nfs/dbraw/zinc/71/53/01/435715301.db2.gz XXLPQGAAQAGGOO-UHFFFAOYSA-N 0 0 316.792 3.581 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(Cl)cc1 ZINC000519902303 435718557 /nfs/dbraw/zinc/71/85/57/435718557.db2.gz NYSFWWKZXOXCCV-UHFFFAOYSA-N 0 0 307.699 3.296 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000572363214 435815639 /nfs/dbraw/zinc/81/56/39/435815639.db2.gz OLAPZHPERNRPDX-NSHDSACASA-N 0 0 314.355 3.338 10 30 DGEERN Cc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)nc(C)n1 ZINC000408280559 301129103 /nfs/dbraw/zinc/12/91/03/301129103.db2.gz PUSVFYKPIKISSU-UHFFFAOYSA-N 0 0 314.433 3.322 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343240028 303183388 /nfs/dbraw/zinc/18/33/88/303183388.db2.gz VMGMCKHWYHXKBK-DOTOQJQBSA-N 0 0 300.308 3.149 10 30 DGEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C1CCOCC1 ZINC000179359984 312804399 /nfs/dbraw/zinc/80/43/99/312804399.db2.gz LKSRDPSJUVCXKI-NSHDSACASA-N 0 0 318.442 3.500 10 30 DGEERN N#Cc1cnccc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC000376385358 312942605 /nfs/dbraw/zinc/94/26/05/312942605.db2.gz OQYWJIWKYLJNLE-UHFFFAOYSA-N 0 0 313.788 3.095 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000540778988 313976073 /nfs/dbraw/zinc/97/60/73/313976073.db2.gz PMJFJSQHDAVXKN-QGZVFWFLSA-N 0 0 324.355 3.270 10 30 DGEERN C[C@@H](NCc1n[nH]cc1Br)c1ccc(C#N)cc1F ZINC000543762400 314157030 /nfs/dbraw/zinc/15/70/30/314157030.db2.gz SCSXJSOOUDVFTR-MRVPVSSYSA-N 0 0 323.169 3.034 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544393659 314189799 /nfs/dbraw/zinc/18/97/99/314189799.db2.gz GJPHJXDZCTYPFP-UHFFFAOYSA-N 0 0 321.336 3.232 10 30 DGEERN N#Cc1cccc(Cc2nc(Cc3c(F)cccc3F)no2)c1 ZINC000545608544 314259433 /nfs/dbraw/zinc/25/94/33/314259433.db2.gz MROYFLBMCQVGEN-UHFFFAOYSA-N 0 0 311.291 3.401 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccnn2-c2cccc(F)c2)c1 ZINC000546728438 314326152 /nfs/dbraw/zinc/32/61/52/314326152.db2.gz YBSCEXJZZADTTP-UHFFFAOYSA-N 0 0 320.327 3.064 10 30 DGEERN COC(=O)c1cccc(CN2CC3(CC3)c3ccccc32)c1C#N ZINC000548491909 314453003 /nfs/dbraw/zinc/45/30/03/314453003.db2.gz YFYOMOAXXYNGJK-UHFFFAOYSA-N 0 0 318.376 3.397 10 30 DGEERN N#Cc1cc(F)c(C(=O)N2CCOCC23CCCCC3)c(F)c1 ZINC000556805330 314777003 /nfs/dbraw/zinc/77/70/03/314777003.db2.gz KCOBJORTSKSZJL-UHFFFAOYSA-N 0 0 320.339 3.012 10 30 DGEERN N#Cc1cncc(N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)n1 ZINC000565650842 315276839 /nfs/dbraw/zinc/27/68/39/315276839.db2.gz KLKLAIRTDTUXRL-LSDHHAIUSA-N 0 0 316.311 3.038 10 30 DGEERN CC(=O)N1CCc2c1cccc2NCc1cccc(F)c1C#N ZINC000573156685 315844631 /nfs/dbraw/zinc/84/46/31/315844631.db2.gz FEUXJGMRWPQIDA-UHFFFAOYSA-N 0 0 309.344 3.218 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000574968807 332898720 /nfs/dbraw/zinc/89/87/20/332898720.db2.gz MJTTYYOMAWAUHR-DLBZAZTESA-N 0 0 319.412 3.382 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N(C[C@H](C)OC)C(C)C ZINC000525436527 331468812 /nfs/dbraw/zinc/46/88/12/331468812.db2.gz BISILWHXKHINLW-HNNXBMFYSA-N 0 0 320.433 3.206 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000186399669 332924757 /nfs/dbraw/zinc/92/47/57/332924757.db2.gz BCYALXUEXMFZSS-JKSUJKDBSA-N 0 0 304.434 3.318 10 30 DGEERN N#C[C@@H](Sc1nnnn1Cc1ccccc1)C1CCCCC1 ZINC000115186600 331691697 /nfs/dbraw/zinc/69/16/97/331691697.db2.gz NQIGVNYSZBFZFA-OAHLLOKOSA-N 0 0 313.430 3.286 10 30 DGEERN N#C[C@H](Sc1nnnn1Cc1ccccc1)C1CCCCC1 ZINC000115186598 331691725 /nfs/dbraw/zinc/69/17/25/331691725.db2.gz NQIGVNYSZBFZFA-HNNXBMFYSA-N 0 0 313.430 3.286 10 30 DGEERN C[C@@H](C(=O)NCC1CCC(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000558667633 331933097 /nfs/dbraw/zinc/93/30/97/331933097.db2.gz HFYJDCCCKPOWGZ-IYXRBSQSSA-N 0 0 315.373 3.144 10 30 DGEERN CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1 ZINC000558926896 331959140 /nfs/dbraw/zinc/95/91/40/331959140.db2.gz OONCZDYYMXDXHV-CABCVRRESA-N 0 0 311.433 3.436 10 30 DGEERN C=CCCCCCNC(=O)NCCn1cnc2ccccc21 ZINC000518559984 332080231 /nfs/dbraw/zinc/08/02/31/332080231.db2.gz NOMOZOVORDYIMY-UHFFFAOYSA-N 0 0 300.406 3.082 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1coc(C2CCCCC2)n1 ZINC000583377024 332372502 /nfs/dbraw/zinc/37/25/02/332372502.db2.gz UKKOGPBISPQMKQ-ZFWWWQNUSA-N 0 0 304.390 3.043 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000566434157 332407742 /nfs/dbraw/zinc/40/77/42/332407742.db2.gz MFNJFFSEOPBLFM-ZDUSSCGKSA-N 0 0 318.421 3.284 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000561215414 332425574 /nfs/dbraw/zinc/42/55/74/332425574.db2.gz KQIWMIYIBBBOOX-UHFFFAOYSA-N 0 0 308.337 3.362 10 30 DGEERN C=CCN(C1CC1)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC000570086292 332709915 /nfs/dbraw/zinc/70/99/15/332709915.db2.gz YQCYDSMYUYEXKG-UHFFFAOYSA-N 0 0 301.411 3.320 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185191693 335118297 /nfs/dbraw/zinc/11/82/97/335118297.db2.gz OWGZTPYJYBXPNP-UONOGXRCSA-N 0 0 323.458 3.212 10 30 DGEERN C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)C(C)(C)C ZINC000188734927 333054381 /nfs/dbraw/zinc/05/43/81/333054381.db2.gz POJNLZCAEQICRO-GFCCVEGCSA-N 0 0 304.394 3.320 10 30 DGEERN C=CC[C@@H](C(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000189432225 333086843 /nfs/dbraw/zinc/08/68/43/333086843.db2.gz SVEBFMIOGWVPTM-GOSISDBHSA-N 0 0 323.392 3.449 10 30 DGEERN C=CCCCNC(=O)NCc1cccc(NC(=O)CCC)c1 ZINC000584331267 333118772 /nfs/dbraw/zinc/11/87/72/333118772.db2.gz GAIMUHAOQAUGFF-UHFFFAOYSA-N 0 0 303.406 3.191 10 30 DGEERN C/C(=C\c1ccc(F)cc1)C(=O)NC1(C#N)CCSCC1 ZINC000179086165 333146281 /nfs/dbraw/zinc/14/62/81/333146281.db2.gz MKBZHXHFDYIZOL-ZRDIBKRKSA-N 0 0 304.390 3.135 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000580326812 333187512 /nfs/dbraw/zinc/18/75/12/333187512.db2.gz NZVULXDPOMJAGW-BBWFWOEESA-N 0 0 308.466 3.458 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000185416018 335131315 /nfs/dbraw/zinc/13/13/15/335131315.db2.gz WJHVNIZCHBATCW-HOTGVXAUSA-N 0 0 316.445 3.240 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCC(C)(C)CCC#N ZINC000195053470 333378807 /nfs/dbraw/zinc/37/88/07/333378807.db2.gz IDHYLXRFPYJTLW-CYBMUJFWSA-N 0 0 324.421 3.259 10 30 DGEERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 ZINC000531870693 333587441 /nfs/dbraw/zinc/58/74/41/333587441.db2.gz NDAIJLDNEPVEQF-CQSZACIVSA-N 0 0 320.433 3.041 10 30 DGEERN C=CCCCCCNC(=O)NCc1csc([C@@H](C)OC)n1 ZINC000563371739 333598219 /nfs/dbraw/zinc/59/82/19/333598219.db2.gz QJLYXVUKPHPERZ-GFCCVEGCSA-N 0 0 311.451 3.396 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000571218031 333683168 /nfs/dbraw/zinc/68/31/68/333683168.db2.gz VYCUARVELQFMSY-KRWDZBQOSA-N 0 0 320.408 3.098 10 30 DGEERN C=CCCCCCNC(=O)NCc1cn2ccc(C)cc2n1 ZINC000571536187 333815103 /nfs/dbraw/zinc/81/51/03/333815103.db2.gz ZOCKTUVIUCEFPR-UHFFFAOYSA-N 0 0 300.406 3.188 10 30 DGEERN C=CCCOCCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000534572075 334285573 /nfs/dbraw/zinc/28/55/73/334285573.db2.gz ZTJPUIWUSUWMET-UHFFFAOYSA-N 0 0 305.418 3.072 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)NCc1cccc(OC)n1 ZINC000112214826 334374157 /nfs/dbraw/zinc/37/41/57/334374157.db2.gz RBNOJLKGGINWQW-UHFFFAOYSA-N 0 0 317.433 3.368 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000341416350 334443885 /nfs/dbraw/zinc/44/38/85/334443885.db2.gz CCLPEMGUJUXERW-TVRKMHQQSA-N 0 0 316.445 3.123 10 30 DGEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416474248 334668412 /nfs/dbraw/zinc/66/84/12/334668412.db2.gz GSFPHSVRFSQWIL-NSHDSACASA-N 0 0 315.822 3.078 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccncc1Br ZINC000582189357 335748829 /nfs/dbraw/zinc/74/88/29/335748829.db2.gz NPGHGNYKUYLGFC-UHFFFAOYSA-N 0 0 312.211 3.134 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191613174 335776758 /nfs/dbraw/zinc/77/67/58/335776758.db2.gz RSNKTGGUGTZBKO-UHFFFAOYSA-N 0 0 320.393 3.020 10 30 DGEERN C=CCC[C@@H](C(=O)NCCc1cccnc1OC)c1ccccc1 ZINC000520385932 335972560 /nfs/dbraw/zinc/97/25/60/335972560.db2.gz HTNKKVQWYCHJIO-GOSISDBHSA-N 0 0 324.424 3.499 10 30 DGEERN C=CCN(CC=C)c1nnc([C@@H]2Cc3ccccc3O2)n1CC=C ZINC000520663920 336003459 /nfs/dbraw/zinc/00/34/59/336003459.db2.gz YLSYIUGNCGMESV-KRWDZBQOSA-N 0 0 322.412 3.319 10 30 DGEERN C=CCn1c2ccccc2nc1S[C@H](C(=O)OC)C1CC1 ZINC000514106343 336361065 /nfs/dbraw/zinc/36/10/65/336361065.db2.gz XOPBBZMKJFUTEO-AWEZNQCLSA-N 0 0 302.399 3.266 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H](C2CC2)C1 ZINC000514601946 336385665 /nfs/dbraw/zinc/38/56/65/336385665.db2.gz ATXNOEMBLFVAEP-CYBMUJFWSA-N 0 0 315.446 3.132 10 30 DGEERN C=CC[C@@H](CO)Nc1cc(SCc2ccccc2)ncn1 ZINC000582251834 336394065 /nfs/dbraw/zinc/39/40/65/336394065.db2.gz JVEUMOSBVCWIKA-AWEZNQCLSA-N 0 0 301.415 3.118 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@H](C)c2ccc3ncsc3c2)C1=O ZINC000514663846 336396042 /nfs/dbraw/zinc/39/60/42/336396042.db2.gz KJBBAPAHNXPWLR-ZWNOBZJWSA-N 0 0 315.398 3.244 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2SCCc3ccccc32)CC1 ZINC000356982683 336568461 /nfs/dbraw/zinc/56/84/61/336568461.db2.gz NSNFUKRLAQFIIB-HNNXBMFYSA-N 0 0 300.427 3.169 10 30 DGEERN C=CCc1cc(C(=O)N2CCC23CCC3)cc(OC)c1OC ZINC000357398290 336584013 /nfs/dbraw/zinc/58/40/13/336584013.db2.gz INXCBLCWTLBGBZ-UHFFFAOYSA-N 0 0 301.386 3.201 10 30 DGEERN C=CCN(c1nnc(-c2ncccc2C)n1CC(C)C)C1CC1 ZINC000359154029 336660426 /nfs/dbraw/zinc/66/04/26/336660426.db2.gz DDBMNAXHBYZIPX-UHFFFAOYSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCCCCNS(=O)(=O)c1ccccc1-c1ccno1 ZINC000582736223 337127873 /nfs/dbraw/zinc/12/78/73/337127873.db2.gz VOTNTLVWBAOQBR-UHFFFAOYSA-N 0 0 320.414 3.366 10 30 DGEERN CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177380480 337155643 /nfs/dbraw/zinc/15/56/43/337155643.db2.gz PXDWTWKBHAFUMD-LSDHHAIUSA-N 0 0 321.469 3.409 10 30 DGEERN C=CCN(Cc1cccs1)Cc1nnc(C2CCC2)n1C ZINC000181044701 337179459 /nfs/dbraw/zinc/17/94/59/337179459.db2.gz YVLBEARUPPLLGV-UHFFFAOYSA-N 0 0 302.447 3.332 10 30 DGEERN C#Cc1cccc(N(CC)Cc2cc(-c3cnn(C)c3)no2)c1 ZINC000185032212 337201575 /nfs/dbraw/zinc/20/15/75/337201575.db2.gz MTUQLBOTKQMAJP-UHFFFAOYSA-N 0 0 306.369 3.083 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000582854654 337210859 /nfs/dbraw/zinc/21/08/59/337210859.db2.gz TZOPCPBGOYCWQM-OAHLLOKOSA-N 0 0 303.406 3.210 10 30 DGEERN C=CCC1(CNC(=O)C2(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000582910458 337216624 /nfs/dbraw/zinc/21/66/24/337216624.db2.gz NAGTXWIVCPQNSQ-UHFFFAOYSA-N 0 0 307.434 3.361 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000583067167 337235052 /nfs/dbraw/zinc/23/50/52/337235052.db2.gz FSMULSWSAADNBQ-QKCSRTOESA-N 0 0 317.414 3.000 10 30 DGEERN C=CCN(C(=O)NCc1ccccc1OC1CCC1)C1CC1 ZINC000536799717 337284403 /nfs/dbraw/zinc/28/44/03/337284403.db2.gz CIJYAZZGYVOMRW-UHFFFAOYSA-N 0 0 300.402 3.478 10 30 DGEERN C=CCC1(C(=O)NC2CCN(c3cccc(C)n3)CC2)CCC1 ZINC000191878148 337300737 /nfs/dbraw/zinc/30/07/37/337300737.db2.gz ZUDTWWINDAURFA-UHFFFAOYSA-N 0 0 313.445 3.221 10 30 DGEERN C[C@H]1CN(c2ccnc3[nH]cc(-c4cccc(C#N)c4)c32)CCO1 ZINC000584598875 337370606 /nfs/dbraw/zinc/37/06/06/337370606.db2.gz PKVURXVLRYHLLM-ZDUSSCGKSA-N 0 0 318.380 3.327 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C#N)[C@@H]1CC[C@@H]2O ZINC000584591579 337373504 /nfs/dbraw/zinc/37/35/04/337373504.db2.gz DBHJOZMELLXPHG-ACJJDMNUSA-N 0 0 301.430 3.175 10 30 DGEERN CC[C@]1(O)C=CC(=O)[C@H](C(c2ccccc2)c2ccccc2)O1 ZINC000584625723 337375562 /nfs/dbraw/zinc/37/55/62/337375562.db2.gz ROXMWTDRWHSZJL-WOJBJXKFSA-N 0 0 308.377 3.441 10 30 DGEERN COC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000584633751 337377535 /nfs/dbraw/zinc/37/75/35/337377535.db2.gz AZRZMIULYFXDHU-UHFFFAOYSA-N 0 0 306.243 3.426 10 30 DGEERN COc1ccc(CC[C@H](C#N)C(=O)OC(C)(C)C)cc1OC ZINC000584653199 337381118 /nfs/dbraw/zinc/38/11/18/337381118.db2.gz LZEZEZSAEMUAMS-CYBMUJFWSA-N 0 0 305.374 3.118 10 30 DGEERN C=CC1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131832897 337439027 /nfs/dbraw/zinc/43/90/27/337439027.db2.gz NYDWOKWZLBPEAZ-UHFFFAOYSA-N 0 0 303.786 3.066 10 30 DGEERN CCc1ccccc1O[C@@H](C(=O)N[C@H](C)C#N)c1ccccc1 ZINC000107233194 337827046 /nfs/dbraw/zinc/82/70/46/337827046.db2.gz HORQRCROVBZLKN-RDTXWAMCSA-N 0 0 308.381 3.397 10 30 DGEERN C[C@H](CC(=O)N[C@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000121079674 337885662 /nfs/dbraw/zinc/88/56/62/337885662.db2.gz BHIHJZOQKDTSMY-QMTHXVAHSA-N 0 0 321.218 3.361 10 30 DGEERN C=C(C)CCN1C(=O)N[C@](CC)(c2cccc(Cl)c2)C1=O ZINC000505449332 340168757 /nfs/dbraw/zinc/16/87/57/340168757.db2.gz NITLHKZZAGVCTE-MRXNPFEDSA-N 0 0 306.793 3.463 10 30 DGEERN C=CCn1c(CC)nnc1N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000516604835 340220390 /nfs/dbraw/zinc/22/03/90/340220390.db2.gz HDDWXZCBMUMFJQ-MRXNPFEDSA-N 0 0 314.408 3.377 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)CC1CC1 ZINC000508933643 340255886 /nfs/dbraw/zinc/25/58/86/340255886.db2.gz YSUVWZCSMKXOQG-UHFFFAOYSA-N 0 0 300.381 3.425 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C#N)CC1 ZINC000508933746 340255919 /nfs/dbraw/zinc/25/59/19/340255919.db2.gz ZRRFIUJYGZPDDU-UHFFFAOYSA-N 0 0 321.428 3.103 10 30 DGEERN C=CCOc1ccccc1C(=O)NCCc1ncc(CC)s1 ZINC000173036115 340355261 /nfs/dbraw/zinc/35/52/61/340355261.db2.gz GAFPEKYSDVUJJA-UHFFFAOYSA-N 0 0 316.426 3.243 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088669011 340462646 /nfs/dbraw/zinc/46/26/46/340462646.db2.gz XMJTWUUNLNVURX-CYBMUJFWSA-N 0 0 323.387 3.151 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000185583856 340503081 /nfs/dbraw/zinc/50/30/81/340503081.db2.gz NSUATYWAXHXIBW-NVXWUHKLSA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000185607804 340503341 /nfs/dbraw/zinc/50/33/41/340503341.db2.gz FRLQQPPTGACTKK-NVXWUHKLSA-N 0 0 317.429 3.222 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC1(C(=O)NCCCC)CCCCC1 ZINC000185614765 340503479 /nfs/dbraw/zinc/50/34/79/340503479.db2.gz MTFQPLQXRPZOGF-HNNXBMFYSA-N 0 0 308.466 3.324 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nc(-c2ccncc2)cs1 ZINC000186147659 340508747 /nfs/dbraw/zinc/50/87/47/340508747.db2.gz ANKMTRLGDYFMNS-GFCCVEGCSA-N 0 0 301.415 3.424 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000186977292 340517184 /nfs/dbraw/zinc/51/71/84/340517184.db2.gz POWHTJRFMCBTAJ-HOCLYGCPSA-N 0 0 303.402 3.236 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000189589878 340538158 /nfs/dbraw/zinc/53/81/58/340538158.db2.gz ZTLQTLGLKMVJBM-GFCCVEGCSA-N 0 0 322.371 3.199 10 30 DGEERN CCC[C@@H](C#N)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000523282508 340618833 /nfs/dbraw/zinc/61/88/33/340618833.db2.gz PYPQLUSULZUTGK-VIFPVBQESA-N 0 0 320.190 3.352 10 30 DGEERN C=C(C)CS(=O)(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528558632 340723926 /nfs/dbraw/zinc/72/39/26/340723926.db2.gz ZNBFOEKOTPNZKC-OAHLLOKOSA-N 0 0 311.422 3.300 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529246481 340750139 /nfs/dbraw/zinc/75/01/39/340750139.db2.gz KYEPQSZKIKUWCI-DDBAPUKQSA-N 0 0 317.404 3.417 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1CCc2ccccc2CC1 ZINC000529247028 340750150 /nfs/dbraw/zinc/75/01/50/340750150.db2.gz PZXDRSWNLIDJRM-RTBURBONSA-N 0 0 313.441 3.279 10 30 DGEERN C=CC(C)(C)CCN1C(=O)N[C@@H](c2ccc(OC)c(F)c2)C1=O ZINC000530197704 340782386 /nfs/dbraw/zinc/78/23/86/340782386.db2.gz SSFCONGDSRQFDC-AWEZNQCLSA-N 0 0 320.364 3.030 10 30 DGEERN COc1cc(C2(C(=O)Nc3cc(C#N)ccn3)CCC2)ccc1C ZINC000435989819 533718169 /nfs/dbraw/zinc/71/81/69/533718169.db2.gz APNNJLYVIVFWPQ-UHFFFAOYSA-N 0 0 321.380 3.331 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000128791895 340914274 /nfs/dbraw/zinc/91/42/74/340914274.db2.gz HNPXHGINQBJJJX-LLVKDONJSA-N 0 0 314.788 3.432 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000130082474 340997345 /nfs/dbraw/zinc/99/73/45/340997345.db2.gz VBNHKWKWTAVADF-MRXNPFEDSA-N 0 0 306.381 3.095 10 30 DGEERN CC(C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000542831047 341022637 /nfs/dbraw/zinc/02/26/37/341022637.db2.gz ZXLPDPKVUFLSKB-GHMZBOCLSA-N 0 0 312.291 3.107 10 30 DGEERN CC1(C#N)CCN(C(=O)CCOc2cccc(Cl)c2)CC1 ZINC000543750934 341056852 /nfs/dbraw/zinc/05/68/52/341056852.db2.gz MIEUQANBNYQICN-UHFFFAOYSA-N 0 0 306.793 3.261 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000544137264 341071652 /nfs/dbraw/zinc/07/16/52/341071652.db2.gz WVIQTKQGQRWHIU-KRWDZBQOSA-N 0 0 302.418 3.087 10 30 DGEERN C=CCOCCCC(=O)Nc1nc(-c2sccc2C)ns1 ZINC000131691598 341108886 /nfs/dbraw/zinc/10/88/86/341108886.db2.gz KSMSASALONVQTE-UHFFFAOYSA-N 0 0 323.443 3.496 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545252643 341117450 /nfs/dbraw/zinc/11/74/50/341117450.db2.gz KAULWXLHAWEHBK-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCCCCCN(C)C(=O)c1cc2c(cc1OC)OCO2 ZINC000546071225 341153384 /nfs/dbraw/zinc/15/33/84/341153384.db2.gz RFRNJPMZCOQVJX-UHFFFAOYSA-N 0 0 305.374 3.242 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000547371060 341209412 /nfs/dbraw/zinc/20/94/12/341209412.db2.gz YTFPFFPDIMSNKU-SMDDNHRTSA-N 0 0 307.356 3.141 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000547371057 341209427 /nfs/dbraw/zinc/20/94/27/341209427.db2.gz YTFPFFPDIMSNKU-BXUZGUMPSA-N 0 0 307.356 3.141 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000135543786 341241669 /nfs/dbraw/zinc/24/16/69/341241669.db2.gz PTTGGPPJBXQRQF-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000135543734 341241671 /nfs/dbraw/zinc/24/16/71/341241671.db2.gz PTTGGPPJBXQRQF-GJZGRUSLSA-N 0 0 324.465 3.495 10 30 DGEERN C#CC[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000079206689 341255321 /nfs/dbraw/zinc/25/53/21/341255321.db2.gz HTKPMTZCOWKOOA-KKUMJFAQSA-N 0 0 321.417 3.025 10 30 DGEERN C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000245521894 341299693 /nfs/dbraw/zinc/29/96/93/341299693.db2.gz CJADHBVBCPCLQF-YNEHKIRRSA-N 0 0 324.421 3.161 10 30 DGEERN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CC1CC1 ZINC000549670197 341300337 /nfs/dbraw/zinc/30/03/37/341300337.db2.gz XRBZBKQSUPLLDT-QGZVFWFLSA-N 0 0 324.428 3.377 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000551271650 341336577 /nfs/dbraw/zinc/33/65/77/341336577.db2.gz SNAVJYQGRUMXQD-WMZOPIPTSA-N 0 0 300.402 3.249 10 30 DGEERN CCO[C@@H](C)c1nc(CN(C)C[C@@H](C#N)CCC#N)cs1 ZINC000247554847 341367254 /nfs/dbraw/zinc/36/72/54/341367254.db2.gz QGEDSBPPKFFDLA-QWHCGFSZSA-N 0 0 306.435 3.116 10 30 DGEERN C=CCn1c(SCC(=O)[C@H](C)CC)nnc1-c1ccco1 ZINC000089679166 341407084 /nfs/dbraw/zinc/40/70/84/341407084.db2.gz VZSGGZSPCQGSRK-LLVKDONJSA-N 0 0 305.403 3.431 10 30 DGEERN C=CC1CC[NH+](Cc2nc3cc(C(=O)[O-])ccc3n2CC)CC1 ZINC000572532943 341410841 /nfs/dbraw/zinc/41/08/41/341410841.db2.gz KUVUHERJRMOYNM-UHFFFAOYSA-N 0 0 313.401 3.152 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CCCC2 ZINC000566143505 341548917 /nfs/dbraw/zinc/54/89/17/341548917.db2.gz AKDRILIUBHZKMF-YOEHRIQHSA-N 0 0 300.402 3.278 10 30 DGEERN C=CCCCCCNC(=O)N(Cc1ccccc1)C[C@@H](C)O ZINC000566435343 341558006 /nfs/dbraw/zinc/55/80/06/341558006.db2.gz QWECATUHXSXMPQ-MRXNPFEDSA-N 0 0 304.434 3.325 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000566628203 341563616 /nfs/dbraw/zinc/56/36/16/341563616.db2.gz KTOYWACLHCCKKM-QFIPXVFZSA-N 0 0 322.474 3.312 10 30 DGEERN CC(C)(C#N)CCC[S@@](=O)Cc1nc(C2CCCC2)no1 ZINC000154311108 341587829 /nfs/dbraw/zinc/58/78/29/341587829.db2.gz ZOAUCVYNRAMOTI-NRFANRHFSA-N 0 0 309.435 3.306 10 30 DGEERN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[C@H](C(C)C)C1 ZINC000568393027 341669811 /nfs/dbraw/zinc/66/98/11/341669811.db2.gz SJEAKSNEPKKCNA-LBPRGKRZSA-N 0 0 316.371 3.441 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000574613201 341763801 /nfs/dbraw/zinc/76/38/01/341763801.db2.gz NQIYCFLYMLNOML-OLZOCXBDSA-N 0 0 322.767 3.424 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000577098665 341885634 /nfs/dbraw/zinc/88/56/34/341885634.db2.gz COXNYNHYLFBFFN-NHYWBVRUSA-N 0 0 318.804 3.071 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](c3ccncc3)C2)CCOCC1 ZINC000577733829 341932791 /nfs/dbraw/zinc/93/27/91/341932791.db2.gz FLXDYMVUCGNEFF-KRWDZBQOSA-N 0 0 314.429 3.161 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)[nH]c2ccc(Cl)cc21 ZINC000577742446 341933450 /nfs/dbraw/zinc/93/34/50/341933450.db2.gz RIPKQQCQIXOSKS-NHYWBVRUSA-N 0 0 318.804 3.451 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Br ZINC000123925443 501030095 /nfs/dbraw/zinc/03/00/95/501030095.db2.gz FFHAQKXYLPPJBX-LDYMZIIASA-N 0 0 311.154 3.010 10 30 DGEERN Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)nn1-c1ccccc1 ZINC000277813677 534041941 /nfs/dbraw/zinc/04/19/41/534041941.db2.gz HGPUGROXPXHREP-QGZVFWFLSA-N 0 0 322.412 3.335 10 30 DGEERN COC(=O)c1ccc(F)c(CNc2cc(C)nc(C)c2C#N)c1 ZINC000302064500 534170266 /nfs/dbraw/zinc/17/02/66/534170266.db2.gz AMEODGUEQPFCRK-UHFFFAOYSA-N 0 0 313.332 3.108 10 30 DGEERN C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cc(C#N)ccn1 ZINC000435997405 534196643 /nfs/dbraw/zinc/19/66/43/534196643.db2.gz SVENYJBAROXEQH-NSHDSACASA-N 0 0 315.373 3.459 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1ccccc1SCC#N ZINC000174014084 534218941 /nfs/dbraw/zinc/21/89/41/534218941.db2.gz FDQURPPWXREAPV-UONOGXRCSA-N 0 0 317.458 3.361 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cc(C(=O)OCC)no2)CCCC1(C)C ZINC000451216530 534324099 /nfs/dbraw/zinc/32/40/99/534324099.db2.gz MEFQQUBOMYCISL-AWEZNQCLSA-N 0 0 320.389 3.058 10 30 DGEERN C=CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000474596220 534325745 /nfs/dbraw/zinc/32/57/45/534325745.db2.gz RPADCHVKYLPLLP-SJORKVTESA-N 0 0 323.392 3.303 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cc(-c2ccsc2)nn1C)OCC ZINC000488302590 534336210 /nfs/dbraw/zinc/33/62/10/534336210.db2.gz XMFHNWRRPQDXDB-AWEZNQCLSA-N 0 0 319.430 3.458 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H](C)COCC)c1ccc(F)c(F)c1 ZINC000488546913 534339514 /nfs/dbraw/zinc/33/95/14/534339514.db2.gz RFXDZATUQNTFDR-NHYWBVRUSA-N 0 0 312.360 3.306 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCc1ccc(Cl)cc1 ZINC000486533467 534358713 /nfs/dbraw/zinc/35/87/13/534358713.db2.gz NGRHFCVVGMWVOB-HZPDHXFCSA-N 0 0 307.821 3.370 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000469532695 534361063 /nfs/dbraw/zinc/36/10/63/534361063.db2.gz GZYINJBLRLMTPT-REWJHTLYSA-N 0 0 319.367 3.453 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000458736377 534372444 /nfs/dbraw/zinc/37/24/44/534372444.db2.gz ODRJVGPUHAGSQE-ZDUSSCGKSA-N 0 0 318.352 3.030 10 30 DGEERN C=C(CNC(=O)N1CCOC[C@H]1CC1CCC1)c1ccccc1 ZINC000458748913 534430995 /nfs/dbraw/zinc/43/09/95/534430995.db2.gz CXSPKKOBEJJKIP-GOSISDBHSA-N 0 0 314.429 3.300 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)c1ncccc1OCC ZINC000177590456 520869710 /nfs/dbraw/zinc/86/97/10/520869710.db2.gz FXMOVELSJFXRRY-UHFFFAOYSA-N 0 0 311.341 3.003 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1ccc(OCC)c(F)c1 ZINC000494883455 534547890 /nfs/dbraw/zinc/54/78/90/534547890.db2.gz QKNQFXKUWBXRDD-CQSZACIVSA-N 0 0 306.381 3.475 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000488881867 534553814 /nfs/dbraw/zinc/55/38/14/534553814.db2.gz UJNRDUNYBYDKGP-BZUAXINKSA-N 0 0 313.397 3.128 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000455098187 534568171 /nfs/dbraw/zinc/56/81/71/534568171.db2.gz UTUWQGOTLQHULU-CABCVRRESA-N 0 0 322.792 3.398 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000183124812 534573754 /nfs/dbraw/zinc/57/37/54/534573754.db2.gz BHUUSWMBCNKXPM-IAGOWNOFSA-N 0 0 310.397 3.025 10 30 DGEERN CCOC(=O)c1sc(N=NCc2cccc(C)c2)nc1C ZINC000033377369 521610396 /nfs/dbraw/zinc/61/03/96/521610396.db2.gz SLBIKVJTOIOCCT-SXGWCWSVSA-N 0 0 303.387 3.383 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(F)ccc1OC(C)C ZINC000454662890 534603947 /nfs/dbraw/zinc/60/39/47/534603947.db2.gz DDMHJKFURGBJCY-OCCSQVGLSA-N 0 0 308.353 3.078 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000177204665 534727534 /nfs/dbraw/zinc/72/75/34/534727534.db2.gz BZBPDFQZFVUOAV-IRXDYDNUSA-N 0 0 324.380 3.074 10 30 DGEERN N#CCc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000170632232 534730814 /nfs/dbraw/zinc/73/08/14/534730814.db2.gz ZMKDNLQTOZSZPU-UHFFFAOYSA-N 0 0 304.309 3.055 10 30 DGEERN COc1ccc(C)cc1CO/N=C/c1ccccc1[N+](=O)[O-] ZINC000032741485 523814884 /nfs/dbraw/zinc/81/48/84/523814884.db2.gz MHYUXNAAWXBKJQ-LICLKQGHSA-N 0 0 300.314 3.463 10 30 DGEERN C=CCCCS(=O)(=O)N(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000489270533 534739642 /nfs/dbraw/zinc/73/96/42/534739642.db2.gz RCAFNEGRAYWKEN-QGZVFWFLSA-N 0 0 323.458 3.300 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000489822388 534740554 /nfs/dbraw/zinc/74/05/54/534740554.db2.gz SOHRFVWSFXIALL-INIZCTEOSA-N 0 0 311.422 3.085 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)CCCCO1 ZINC000460061671 534840340 /nfs/dbraw/zinc/84/03/40/534840340.db2.gz LRTZKMQOZSIYEF-KRWDZBQOSA-N 0 0 318.373 3.069 10 30 DGEERN Cc1ccc(NC(=S)N/N=C\c2ccc([N+](=O)[O-])s2)cc1 ZINC000004467817 525263956 /nfs/dbraw/zinc/26/39/56/525263956.db2.gz VCWSBOYDLOTCCC-ZSOIEALJSA-N 0 0 320.399 3.285 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000153316454 525321622 /nfs/dbraw/zinc/32/16/22/525321622.db2.gz PHPZLDPJRSBQFT-CQSZACIVSA-N 0 0 316.364 3.235 10 30 DGEERN O=C1c2ccc(O)cc2O/C1=C\c1ccc(F)c([N+](=O)[O-])c1 ZINC000178944231 534848862 /nfs/dbraw/zinc/84/88/62/534848862.db2.gz GWODGSAXPWSNFP-NSIKDUERSA-N 0 0 301.229 3.056 10 30 DGEERN Cc1coc(-c2cccc(NC(=O)c3cc(C#N)cn3C)c2)n1 ZINC000154658223 526279726 /nfs/dbraw/zinc/27/97/26/526279726.db2.gz SNHKPEOSUFZFNV-UHFFFAOYSA-N 0 0 306.325 3.113 10 30 DGEERN CC#CCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000185235418 526294373 /nfs/dbraw/zinc/29/43/73/526294373.db2.gz PJXIBYWYVCPUHC-INIZCTEOSA-N 0 0 305.805 3.434 10 30 DGEERN C=CCN(CCc1ccccc1)Cc1nnc(C2CCC2)n1C ZINC000181152421 526314611 /nfs/dbraw/zinc/31/46/11/526314611.db2.gz RKXVWBPOEWAHSZ-UHFFFAOYSA-N 0 0 310.445 3.313 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000352579263 526321543 /nfs/dbraw/zinc/32/15/43/526321543.db2.gz AUBHAXFBMXDPHC-OAHLLOKOSA-N 0 0 324.380 3.176 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1cccc(NC(C)=O)c1 ZINC000353112461 526324088 /nfs/dbraw/zinc/32/40/88/526324088.db2.gz OJENZUCFOQUDNM-UHFFFAOYSA-N 0 0 312.369 3.109 10 30 DGEERN C=CCN(CCc1ccco1)c1nnc(-c2ccoc2)n1CC ZINC000358731162 526328548 /nfs/dbraw/zinc/32/85/48/526328548.db2.gz FWWWHGRZJKXKMR-UHFFFAOYSA-N 0 0 312.373 3.386 10 30 DGEERN C=CCN(Cc1c(C)nn(C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000155005081 526332354 /nfs/dbraw/zinc/33/23/54/526332354.db2.gz GCZHNTBYQVPCPT-UHFFFAOYSA-N 0 0 314.389 3.133 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1nc(CC)oc1C ZINC000350683570 526341250 /nfs/dbraw/zinc/34/12/50/526341250.db2.gz STAFPYATXIPMNQ-UHFFFAOYSA-N 0 0 314.385 3.382 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCCS1 ZINC000341154953 526348704 /nfs/dbraw/zinc/34/87/04/526348704.db2.gz YXTFYCMYXJVFDU-HNNXBMFYSA-N 0 0 320.414 3.395 10 30 DGEERN C=CCN1C(=O)N(C(CC)CC)C(=O)[C@H]1Cc1ccccc1 ZINC000430884923 526403606 /nfs/dbraw/zinc/40/36/06/526403606.db2.gz JKJRNFOFOJDXNV-MRXNPFEDSA-N 0 0 300.402 3.237 10 30 DGEERN C=CCN1C(=O)N(C[C@@H](C)C(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431257029 526404649 /nfs/dbraw/zinc/40/46/49/526404649.db2.gz JQMJXGFVQWUJGS-WBVHZDCISA-N 0 0 314.429 3.340 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000424721757 526435166 /nfs/dbraw/zinc/43/51/66/526435166.db2.gz MKARMOVSMYGCBW-LLVKDONJSA-N 0 0 324.446 3.408 10 30 DGEERN C=C(C)CN(CC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358956311 526545498 /nfs/dbraw/zinc/54/54/98/526545498.db2.gz GAQRYYBKNQWVSO-UHFFFAOYSA-N 0 0 314.288 3.234 10 30 DGEERN N#Cc1cc(F)ccc1CN1CCO[C@H](c2cccs2)C1 ZINC000157833499 526558185 /nfs/dbraw/zinc/55/81/85/526558185.db2.gz KGBQSWWWEKIDEG-HNNXBMFYSA-N 0 0 302.374 3.332 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sccc1F ZINC000354281154 526558638 /nfs/dbraw/zinc/55/86/38/526558638.db2.gz JFKDFNAHGPGABH-UHFFFAOYSA-N 0 0 309.362 3.191 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nc(C)sc1C ZINC000342391096 526558812 /nfs/dbraw/zinc/55/88/12/526558812.db2.gz FJLCCRHKDPPNHF-UHFFFAOYSA-N 0 0 320.414 3.064 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)c1ccnc2cccnc21 ZINC000338721034 526563199 /nfs/dbraw/zinc/56/31/99/526563199.db2.gz GRHRFHJRVRHNKT-UHFFFAOYSA-N 0 0 309.369 3.298 10 30 DGEERN C=CCNC(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000413041994 526582957 /nfs/dbraw/zinc/58/29/57/526582957.db2.gz XPORJZKEUQTQBE-UHFFFAOYSA-N 0 0 306.409 3.378 10 30 DGEERN C=C(C)CNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433911178 526612904 /nfs/dbraw/zinc/61/29/04/526612904.db2.gz YDNOAHKQJWKMDI-UHFFFAOYSA-N 0 0 311.223 3.475 10 30 DGEERN C=C(C)COCCNC(=O)CCCC(=O)c1ccc(C)cc1 ZINC000184433800 526630053 /nfs/dbraw/zinc/63/00/53/526630053.db2.gz BKKRSSZBXMRCRD-UHFFFAOYSA-N 0 0 303.402 3.057 10 30 DGEERN C=C(C)COCCNC(=O)c1cccc(-c2cscn2)c1 ZINC000354076370 526652901 /nfs/dbraw/zinc/65/29/01/526652901.db2.gz UMXLRVBXVMWQLE-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN N#Cc1ccc(NCCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000154504765 526661490 /nfs/dbraw/zinc/66/14/90/526661490.db2.gz ALDQIXYKTJABBQ-BBRMVZONSA-N 0 0 303.362 3.210 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCc2cccc(Br)c2C1 ZINC000185610558 526663687 /nfs/dbraw/zinc/66/36/87/526663687.db2.gz LHNIAQBWXMYQJZ-UHFFFAOYSA-N 0 0 320.230 3.383 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(c2ccc(OC)cc2)CC1 ZINC000367568665 526669793 /nfs/dbraw/zinc/66/97/93/526669793.db2.gz ZWKWETCHDGPDOV-UHFFFAOYSA-N 0 0 309.409 3.064 10 30 DGEERN C#CCC(CC#C)C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000289348534 526673122 /nfs/dbraw/zinc/67/31/22/526673122.db2.gz LGBVOWTWQUTGJV-UHFFFAOYSA-N 0 0 312.800 3.074 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 ZINC000295503897 526674959 /nfs/dbraw/zinc/67/49/59/526674959.db2.gz DSQNDABKGZRKAJ-LIRRHRJNSA-N 0 0 322.408 3.049 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](c1ccco1)c1ccccc1OC ZINC000288170808 526675230 /nfs/dbraw/zinc/67/52/30/526675230.db2.gz MOADDHFFCQIXBM-IBGZPJMESA-N 0 0 321.376 3.157 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000129009584 526679170 /nfs/dbraw/zinc/67/91/70/526679170.db2.gz MTNYUYRMCRQAJX-NSHDSACASA-N 0 0 303.387 3.311 10 30 DGEERN C#CCCCCC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000180262517 526686870 /nfs/dbraw/zinc/68/68/70/526686870.db2.gz BVCSRMLXXTTZLH-PBHICJAKSA-N 0 0 303.377 3.308 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000185222087 526693420 /nfs/dbraw/zinc/69/34/20/526693420.db2.gz PHJWVAUQVNBDRN-MRXNPFEDSA-N 0 0 320.477 3.086 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000185104790 526694079 /nfs/dbraw/zinc/69/40/79/526694079.db2.gz GQCBEQZSNNIKRS-OAHLLOKOSA-N 0 0 314.429 3.010 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000154982992 526698565 /nfs/dbraw/zinc/69/85/65/526698565.db2.gz YOWUPZIVFRNQJH-HNNXBMFYSA-N 0 0 314.385 3.065 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000185598398 526698537 /nfs/dbraw/zinc/69/85/37/526698537.db2.gz DGQMACPLZPAHGM-CQSZACIVSA-N 0 0 310.397 3.497 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000185837623 526702220 /nfs/dbraw/zinc/70/22/20/526702220.db2.gz ZRTFCXQBILOUDL-OLZOCXBDSA-N 0 0 307.825 3.032 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433970750 526702676 /nfs/dbraw/zinc/70/26/76/526702676.db2.gz HJDNZLVNIULURQ-GFCCVEGCSA-N 0 0 304.390 3.114 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC)C[C@@H]1COc2ccccc2O1 ZINC000184976027 526704489 /nfs/dbraw/zinc/70/44/89/526704489.db2.gz IIYWOKIBZDCIQN-LSDHHAIUSA-N 0 0 303.402 3.277 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000185252178 526706208 /nfs/dbraw/zinc/70/62/08/526706208.db2.gz RXHZZODEJZZTHN-HNNXBMFYSA-N 0 0 300.402 3.136 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)[C@H](C)C1 ZINC000186430490 526707618 /nfs/dbraw/zinc/70/76/18/526707618.db2.gz YWGZOZJHBDCDQJ-YESZJQIVSA-N 0 0 320.477 3.250 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000185558446 526710688 /nfs/dbraw/zinc/71/06/88/526710688.db2.gz LGPAOTHKIRBHCZ-LBPRGKRZSA-N 0 0 309.793 3.102 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000185124231 526712131 /nfs/dbraw/zinc/71/21/31/526712131.db2.gz SXQCJRDKLGNXKW-AWEZNQCLSA-N 0 0 302.418 3.500 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000185068939 526712150 /nfs/dbraw/zinc/71/21/50/526712150.db2.gz MJGCHHVBIAUTHS-NSHDSACASA-N 0 0 309.793 3.330 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000341480741 526713812 /nfs/dbraw/zinc/71/38/12/526713812.db2.gz LZUGLWLAUPABQE-TVQRCGJNSA-N 0 0 317.355 3.359 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000184965851 526714417 /nfs/dbraw/zinc/71/44/17/526714417.db2.gz YXIVRIAIIOZFCH-AWEZNQCLSA-N 0 0 300.402 3.463 10 30 DGEERN C=CCOCC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000337486684 526718568 /nfs/dbraw/zinc/71/85/68/526718568.db2.gz ZXBBNKQWBVTSSO-UHFFFAOYSA-N 0 0 311.385 3.281 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](CCC)C1 ZINC000338805190 526718862 /nfs/dbraw/zinc/71/88/62/526718862.db2.gz JJERPHPOQQAXFG-HNNXBMFYSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@@H]1CCSC1 ZINC000358824367 526719173 /nfs/dbraw/zinc/71/91/73/526719173.db2.gz FGTXHKMRFLRACB-CYBMUJFWSA-N 0 0 304.419 3.056 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000338847680 526722553 /nfs/dbraw/zinc/72/25/53/526722553.db2.gz BZRWFKYZSGVHEU-HZPDHXFCSA-N 0 0 318.465 3.231 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CCC(c2nccs2)CC1 ZINC000338805485 526723437 /nfs/dbraw/zinc/72/34/37/526723437.db2.gz QKOIXENYAHMPRC-UHFFFAOYSA-N 0 0 303.435 3.003 10 30 DGEERN C=CCOCCCC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000173721239 526729758 /nfs/dbraw/zinc/72/97/58/526729758.db2.gz OKXUCZLPCRNPAV-CVEARBPZSA-N 0 0 309.450 3.165 10 30 DGEERN C=CCOCCCC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000173721150 526729847 /nfs/dbraw/zinc/72/98/47/526729847.db2.gz OKXUCZLPCRNPAV-HOTGVXAUSA-N 0 0 309.450 3.165 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000346397558 526764527 /nfs/dbraw/zinc/76/45/27/526764527.db2.gz WCNMSBYHPZCUPY-RDJZCZTQSA-N 0 0 314.385 3.265 10 30 DGEERN C=C(C)[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)OCC ZINC000339607417 526811251 /nfs/dbraw/zinc/81/12/51/526811251.db2.gz MQKFBIONZMKDKU-WBMJQRKESA-N 0 0 318.373 3.244 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)OCC ZINC000339421954 526815567 /nfs/dbraw/zinc/81/55/67/526815567.db2.gz PKIBPZWULVMJOO-DYVFJYSZSA-N 0 0 321.417 3.252 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC)OCC ZINC000339356029 526815986 /nfs/dbraw/zinc/81/59/86/526815986.db2.gz AEJTZXLNISYHNN-LNLFQRSKSA-N 0 0 317.429 3.213 10 30 DGEERN C=CCOCc1nc(-c2cc(N(C)C)nc3ccccc32)no1 ZINC000357164590 526816810 /nfs/dbraw/zinc/81/68/10/526816810.db2.gz APXJJRNGAJWHKJ-UHFFFAOYSA-N 0 0 310.357 3.053 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000437503306 526833233 /nfs/dbraw/zinc/83/32/33/526833233.db2.gz XBBRJRYCIANWLG-SJKOYZFVSA-N 0 0 316.376 3.326 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1coc2ccc(OC)cc12 ZINC000337744711 526848320 /nfs/dbraw/zinc/84/83/20/526848320.db2.gz SXNZXVJICLKCSB-YVEFUNNKSA-N 0 0 315.369 3.152 10 30 DGEERN C=CCOc1ccc(CN(C)[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000430191294 526860803 /nfs/dbraw/zinc/86/08/03/526860803.db2.gz IVVKPNRZCNFTDB-KRWDZBQOSA-N 0 0 305.418 3.271 10 30 DGEERN C=C(CNC(=O)NCCC[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000358565899 526870233 /nfs/dbraw/zinc/87/02/33/526870233.db2.gz BARWAQDTISNFNY-ZWKOTPCHSA-N 0 0 316.445 3.330 10 30 DGEERN C=C(CNC(=O)N[C@@H](CO)c1sccc1C)c1ccccc1 ZINC000358586532 526873445 /nfs/dbraw/zinc/87/34/45/526873445.db2.gz JUQRCWFAPBHISV-HNNXBMFYSA-N 0 0 316.426 3.103 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](CC)C2)cc1 ZINC000420869208 526880009 /nfs/dbraw/zinc/88/00/09/526880009.db2.gz UIXUOUATJWPFGX-CVEARBPZSA-N 0 0 318.417 3.008 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@H]2CCO[C@H](CC)C2)cc1 ZINC000420869212 526881211 /nfs/dbraw/zinc/88/12/11/526881211.db2.gz UIXUOUATJWPFGX-JKSUJKDBSA-N 0 0 318.417 3.008 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000369485823 526887308 /nfs/dbraw/zinc/88/73/08/526887308.db2.gz KRAWTDPEZJWAQM-AWEZNQCLSA-N 0 0 324.808 3.303 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC000426740360 526890716 /nfs/dbraw/zinc/89/07/16/526890716.db2.gz HNAWJZQDDCYAOH-QGZVFWFLSA-N 0 0 303.402 3.375 10 30 DGEERN C=C(Cl)C[S@@](=O)Cc1sc(C)nc1C(F)(F)F ZINC000183693048 526891953 /nfs/dbraw/zinc/89/19/53/526891953.db2.gz FGZVHQYJRDUGDL-QGZVFWFLSA-N 0 0 303.758 3.472 10 30 DGEERN C=CCOc1ccc(CNc2cn(C)nc2OC)cc1Cl ZINC000353202768 526892635 /nfs/dbraw/zinc/89/26/35/526892635.db2.gz BZIWGZZKBGOZAH-UHFFFAOYSA-N 0 0 307.781 3.259 10 30 DGEERN C=C1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2C)CC1 ZINC000337894409 526909444 /nfs/dbraw/zinc/90/94/44/526909444.db2.gz CDVIZWGXZDDEGS-UHFFFAOYSA-N 0 0 320.343 3.100 10 30 DGEERN C=C1CCN(c2nnc(CCc3ccco3)n2CC(C)C)CC1 ZINC000338994061 526909664 /nfs/dbraw/zinc/90/96/64/526909664.db2.gz BJDPZZQVTRNPNV-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H](CO)c2ccsc2)c1 ZINC000352547544 526916313 /nfs/dbraw/zinc/91/63/13/526916313.db2.gz HVKNJEUAXIGSAS-OAHLLOKOSA-N 0 0 318.398 3.168 10 30 DGEERN C=CCOc1ccccc1-c1nc([C@H]2CCOC[C@H]2C)no1 ZINC000347237410 526921654 /nfs/dbraw/zinc/92/16/54/526921654.db2.gz QQNNVZWJTPGXEF-OLZOCXBDSA-N 0 0 300.358 3.441 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1ccc(OC(C)C)nn1 ZINC000191306991 526928370 /nfs/dbraw/zinc/92/83/70/526928370.db2.gz QZTVFQMGBYAQEB-UHFFFAOYSA-N 0 0 313.357 3.081 10 30 DGEERN C=CCOc1ccccc1CNc1nnc(-c2ccncc2)o1 ZINC000154764006 526952197 /nfs/dbraw/zinc/95/21/97/526952197.db2.gz RDRVXCFTFKJABR-UHFFFAOYSA-N 0 0 308.341 3.309 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)CC1 ZINC000330989139 526958082 /nfs/dbraw/zinc/95/80/82/526958082.db2.gz RTPUDIXOQBOALW-HNNXBMFYSA-N 0 0 304.438 3.300 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000433723629 526958346 /nfs/dbraw/zinc/95/83/46/526958346.db2.gz SJVSAARFZZJNAU-NSHDSACASA-N 0 0 314.307 3.061 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000434310419 526967851 /nfs/dbraw/zinc/96/78/51/526967851.db2.gz ZACQYDKGCJUAHQ-OAHLLOKOSA-N 0 0 324.490 3.039 10 30 DGEERN C=CC1CCN(C(=O)Nc2cccc(-c3noc(C)n3)c2)CC1 ZINC000111738558 526971216 /nfs/dbraw/zinc/97/12/16/526971216.db2.gz FPHCLXFBHUCODX-UHFFFAOYSA-N 0 0 312.373 3.475 10 30 DGEERN C=CC1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CC)CC1 ZINC000338608246 526984896 /nfs/dbraw/zinc/98/48/96/526984896.db2.gz YYYLCXSZILXQSX-QGZVFWFLSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCSCCNC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000177689960 526997967 /nfs/dbraw/zinc/99/79/67/526997967.db2.gz QCCOZJSYIBRHOH-UHFFFAOYSA-N 0 0 316.430 3.221 10 30 DGEERN C=CCC(C)(C)CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000352540806 527003009 /nfs/dbraw/zinc/00/30/09/527003009.db2.gz PSDWTZRHPAPPIC-UHFFFAOYSA-N 0 0 305.466 3.417 10 30 DGEERN C=CCSCCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184498092 527003951 /nfs/dbraw/zinc/00/39/51/527003951.db2.gz BXYKTMMHJBRENV-UHFFFAOYSA-N 0 0 302.399 3.299 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000131329866 527023713 /nfs/dbraw/zinc/02/37/13/527023713.db2.gz CDRNHIHFGVOALT-MRXNPFEDSA-N 0 0 301.434 3.469 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000133675500 527033473 /nfs/dbraw/zinc/03/34/73/527033473.db2.gz SSQMJPIRJHXJAP-UHFFFAOYSA-N 0 0 307.415 3.105 10 30 DGEERN C=CCC1(C(=O)NCC2(CCOCC)CCC2)CCOCC1 ZINC000424733997 527051996 /nfs/dbraw/zinc/05/19/96/527051996.db2.gz JIHGVLXAMTVJKF-UHFFFAOYSA-N 0 0 309.450 3.072 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2CCCC(F)(F)C2)CCOCC1 ZINC000424817763 527054819 /nfs/dbraw/zinc/05/48/19/527054819.db2.gz FHRYWEOCNCWZPV-CYBMUJFWSA-N 0 0 301.377 3.301 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCc3c2cccc3F)CCOCC1 ZINC000424599425 527059294 /nfs/dbraw/zinc/05/92/94/527059294.db2.gz MVDPSQRNFMRHIS-INIZCTEOSA-N 0 0 303.377 3.302 10 30 DGEERN C=CCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152378135 527077680 /nfs/dbraw/zinc/07/76/80/527077680.db2.gz GTDGBQDYLYQJNY-HOCLYGCPSA-N 0 0 310.800 3.307 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000183314618 527094637 /nfs/dbraw/zinc/09/46/37/527094637.db2.gz MYMVODLEYRGMDJ-HIFRSBDPSA-N 0 0 322.474 3.484 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000184737161 527095436 /nfs/dbraw/zinc/09/54/36/527095436.db2.gz CKUJGNOHHMWOHY-AWEZNQCLSA-N 0 0 317.414 3.177 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000184975621 527095797 /nfs/dbraw/zinc/09/57/97/527095797.db2.gz DHBUKTHDBKNPRG-HNNXBMFYSA-N 0 0 301.390 3.110 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000185221319 527095812 /nfs/dbraw/zinc/09/58/12/527095812.db2.gz DMCDCAYEFXCRND-OLZOCXBDSA-N 0 0 319.430 3.139 10 30 DGEERN C#CCOc1ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc1 ZINC000296930696 527101011 /nfs/dbraw/zinc/10/10/11/527101011.db2.gz IOZMCYBWSHMDRA-UHFFFAOYSA-N 0 0 313.319 3.293 10 30 DGEERN C=CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000363591831 527104896 /nfs/dbraw/zinc/10/48/96/527104896.db2.gz HFVYWPAUGMQQCY-UHFFFAOYSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCCCC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000178584780 527105937 /nfs/dbraw/zinc/10/59/37/527105937.db2.gz AHDCAXGJDLJDQL-SJORKVTESA-N 0 0 315.413 3.148 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](CO)CC(C)C ZINC000413823730 527106355 /nfs/dbraw/zinc/10/63/55/527106355.db2.gz ARTMHUGGSUKJKF-ROUUACIJSA-N 0 0 318.461 3.222 10 30 DGEERN C=CCCCC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000429587407 527109697 /nfs/dbraw/zinc/10/96/97/527109697.db2.gz ALUVYJIYXSULSK-ZDUSSCGKSA-N 0 0 303.328 3.113 10 30 DGEERN C=CC[C@@H]1N(C(=O)N[C@@H](C)c2csnn2)CCCC1(C)C ZINC000413806196 527116189 /nfs/dbraw/zinc/11/61/89/527116189.db2.gz BNQZPTPEKWMVLN-AAEUAGOBSA-N 0 0 308.451 3.375 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000133259968 527124338 /nfs/dbraw/zinc/12/43/38/527124338.db2.gz GTOZKVNNBOOAOV-CQSZACIVSA-N 0 0 319.453 3.063 10 30 DGEERN C=CCCCCCN(C)C(=O)[C@H]1CCCN1c1nccs1 ZINC000156869114 527126516 /nfs/dbraw/zinc/12/65/16/527126516.db2.gz BCSVANDXYNPBSG-CQSZACIVSA-N 0 0 307.463 3.317 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)N[C@](C)(CO)C(C)C)c1C(C)C ZINC000331157477 527157640 /nfs/dbraw/zinc/15/76/40/527157640.db2.gz CAUAMHAAZQUHSX-QGZVFWFLSA-N 0 0 308.422 3.361 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000285656945 527173677 /nfs/dbraw/zinc/17/36/77/527173677.db2.gz FCTCEHJSPGHVDE-QGZVFWFLSA-N 0 0 323.392 3.068 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000287661721 527179804 /nfs/dbraw/zinc/17/98/04/527179804.db2.gz ORWCFUIDSOSPNF-UHFFFAOYSA-N 0 0 312.772 3.151 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000344489082 527180417 /nfs/dbraw/zinc/18/04/17/527180417.db2.gz PGOVGHALJGJOPU-UHFFFAOYSA-N 0 0 311.385 3.045 10 30 DGEERN C=CCCCN(C)C(=O)NCCCn1cnc2ccccc21 ZINC000076939636 527182895 /nfs/dbraw/zinc/18/28/95/527182895.db2.gz CYPKRTUEXIOJPO-UHFFFAOYSA-N 0 0 300.406 3.034 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000152599800 527184453 /nfs/dbraw/zinc/18/44/53/527184453.db2.gz OKMRMEKZDCVKEF-UHFFFAOYSA-N 0 0 301.434 3.177 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000434901307 527185641 /nfs/dbraw/zinc/18/56/41/527185641.db2.gz UPIFCICXLONHMR-UHFFFAOYSA-N 0 0 322.405 3.451 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000346761268 527187027 /nfs/dbraw/zinc/18/70/27/527187027.db2.gz IOZRCOGLHMZFCJ-MRXNPFEDSA-N 0 0 314.429 3.081 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000346761267 527189398 /nfs/dbraw/zinc/18/93/98/527189398.db2.gz IOZRCOGLHMZFCJ-INIZCTEOSA-N 0 0 314.429 3.081 10 30 DGEERN C=CCCCN(C)C(=O)c1nn(-c2ccc(F)cc2)cc1C ZINC000283122708 527190121 /nfs/dbraw/zinc/19/01/21/527190121.db2.gz ZBPSKKGESNWEJF-UHFFFAOYSA-N 0 0 301.365 3.358 10 30 DGEERN C=CCCCN(C)C(=O)c1ccccc1COC1CCOCC1 ZINC000126926307 527191040 /nfs/dbraw/zinc/19/10/40/527191040.db2.gz YHXKOJWKBQQNJJ-UHFFFAOYSA-N 0 0 317.429 3.420 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969911 527191161 /nfs/dbraw/zinc/19/11/61/527191161.db2.gz TVRDRIHXNXNVRE-UHFFFAOYSA-N 0 0 314.288 3.234 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000337083115 527194430 /nfs/dbraw/zinc/19/44/30/527194430.db2.gz XVSYEEZPANRDRM-DAYGRLMNSA-N 0 0 301.430 3.357 10 30 DGEERN C=CCCCN(C)c1nnc(C2CCC2)n1C[C@H]1CCCO1 ZINC000339024405 527195872 /nfs/dbraw/zinc/19/58/72/527195872.db2.gz WRFWGVAKGXNIQA-OAHLLOKOSA-N 0 0 304.438 3.127 10 30 DGEERN C=CCCCN1C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C1=O ZINC000358800268 527196549 /nfs/dbraw/zinc/19/65/49/527196549.db2.gz LWQYOUSSWHHTKQ-NVXWUHKLSA-N 0 0 312.413 3.383 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000183478708 527200170 /nfs/dbraw/zinc/20/01/70/527200170.db2.gz SROXPLSXTKFFSH-DOMZBBRYSA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000185655459 527202184 /nfs/dbraw/zinc/20/21/84/527202184.db2.gz IRJOOYQYHSAGOX-LLVKDONJSA-N 0 0 312.797 3.186 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000248496003 527205878 /nfs/dbraw/zinc/20/58/78/527205878.db2.gz LDNXVRVLUZLXMG-KGYLQXTDSA-N 0 0 314.212 3.150 10 30 DGEERN C=CC[C@H]1N(C(=O)N[C@H](C)CCC(=O)OCC)CCCC1(C)C ZINC000445213881 527225006 /nfs/dbraw/zinc/22/50/06/527225006.db2.gz ANRIWNLCUFMCKV-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN C=CC[C@H]1N(C(=O)Nc2cnc(N(C)C)nc2)CCCC1(C)C ZINC000444912867 527225383 /nfs/dbraw/zinc/22/53/83/527225383.db2.gz NSPDEVSKBJMXQS-CQSZACIVSA-N 0 0 317.437 3.141 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000352253080 527257005 /nfs/dbraw/zinc/25/70/05/527257005.db2.gz VJHSYNGGNUJZLO-GFCCVEGCSA-N 0 0 324.371 3.101 10 30 DGEERN C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000350751290 527272007 /nfs/dbraw/zinc/27/20/07/527272007.db2.gz CMGHYNCAOJUASH-ZFWWWQNUSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000181389141 527287666 /nfs/dbraw/zinc/28/76/66/527287666.db2.gz ZQKXVVSPEHRURI-YOEHRIQHSA-N 0 0 318.417 3.220 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000357937826 527291414 /nfs/dbraw/zinc/29/14/14/527291414.db2.gz QOGDZPYLBBYMNH-ZDUSSCGKSA-N 0 0 301.390 3.111 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000343357880 527293584 /nfs/dbraw/zinc/29/35/84/527293584.db2.gz KJDHTKLNQWHKRO-ZFWWWQNUSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000282401507 527299721 /nfs/dbraw/zinc/29/97/21/527299721.db2.gz WNPUVJKABGSTKN-CYBMUJFWSA-N 0 0 317.462 3.175 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N(CCC)C[C@H]1CCCCO1 ZINC000351119124 527312697 /nfs/dbraw/zinc/31/26/97/527312697.db2.gz SYRLVUAQVUWZHH-MRXNPFEDSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000337835917 527314566 /nfs/dbraw/zinc/31/45/66/527314566.db2.gz CBJBPEOZBYKRAL-KSSFIOAISA-N 0 0 300.450 3.433 10 30 DGEERN C=CCn1c(CC2CCCC2)nnc1N1CCS[C@H](C)C1 ZINC000337830622 527314729 /nfs/dbraw/zinc/31/47/29/527314729.db2.gz YWOFHSUSACLEBN-CYBMUJFWSA-N 0 0 306.479 3.139 10 30 DGEERN C=CCCN(C)C(=O)c1ccccc1SCc1nc(C)no1 ZINC000342045992 527317020 /nfs/dbraw/zinc/31/70/20/527317020.db2.gz ZVCKCSWLNFLFHO-UHFFFAOYSA-N 0 0 317.414 3.318 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCCC1(C)C ZINC000351117500 527320155 /nfs/dbraw/zinc/32/01/55/527320155.db2.gz QMNKNQBZMRFVAK-UHFFFAOYSA-N 0 0 300.406 3.221 10 30 DGEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N(CC)C1CC1 ZINC000351120111 527325592 /nfs/dbraw/zinc/32/55/92/527325592.db2.gz WCFMYTVBFXPIEG-UHFFFAOYSA-N 0 0 300.381 3.183 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CC(=C)C ZINC000337915475 527360929 /nfs/dbraw/zinc/36/09/29/527360929.db2.gz TVDNDSLYPNGMCE-MRXNPFEDSA-N 0 0 310.401 3.153 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000347838300 527390925 /nfs/dbraw/zinc/39/09/25/527390925.db2.gz ZUWMBFDIAOJHKU-PBHICJAKSA-N 0 0 305.393 3.340 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173415793 527391426 /nfs/dbraw/zinc/39/14/26/527391426.db2.gz MWQJGRWIIXCBRV-KGLIPLIRSA-N 0 0 308.447 3.139 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H](CCC)C(=O)OC)c1ccccc1 ZINC000428025070 527463736 /nfs/dbraw/zinc/46/37/36/527463736.db2.gz QPYWXQGQKOGBQR-JKSUJKDBSA-N 0 0 303.402 3.194 10 30 DGEERN C=CCC[C@H](CCC)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000433075923 527468037 /nfs/dbraw/zinc/46/80/37/527468037.db2.gz IHEUXZJZUFPUGR-KRWDZBQOSA-N 0 0 315.461 3.077 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(Cl)c2ccccc2n1C ZINC000424932557 527496979 /nfs/dbraw/zinc/49/69/79/527496979.db2.gz NMBGNGLVFWZQSM-FZMZJTMJSA-N 0 0 318.804 3.153 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000424930492 527497525 /nfs/dbraw/zinc/49/75/25/527497525.db2.gz FXGYBGVAQGSTCA-HOCLYGCPSA-N 0 0 303.402 3.185 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)cc1OCC ZINC000424935047 527497692 /nfs/dbraw/zinc/49/76/92/527497692.db2.gz WLCJHQAPKVGRIW-FZMZJTMJSA-N 0 0 309.793 3.060 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc(C)c(Cl)c1Cl ZINC000424931044 527497962 /nfs/dbraw/zinc/49/79/62/527497962.db2.gz IMQAGZNBCZAITR-ONGXEEELSA-N 0 0 315.200 3.018 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC1(CCO)CCC1 ZINC000337613243 527507541 /nfs/dbraw/zinc/50/75/41/527507541.db2.gz WVHZMXBSTYQGKC-UHFFFAOYSA-N 0 0 302.418 3.479 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000337141840 527510300 /nfs/dbraw/zinc/51/03/00/527510300.db2.gz SRLMXWRTZICGQZ-KRWDZBQOSA-N 0 0 314.429 3.391 10 30 DGEERN C=CCCn1cc(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)nn1 ZINC000424612380 527518421 /nfs/dbraw/zinc/51/84/21/527518421.db2.gz FWZOKJBHNUZPGL-GOSISDBHSA-N 0 0 324.428 3.448 10 30 DGEERN C=C[C@@](C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000343716421 527545568 /nfs/dbraw/zinc/54/55/68/527545568.db2.gz PEWLWVJLCHQXGW-LJQANCHMSA-N 0 0 313.372 3.436 10 30 DGEERN C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC=C ZINC000337871291 527578956 /nfs/dbraw/zinc/57/89/56/527578956.db2.gz VFLJDAODJVQVGS-ZIAGYGMSSA-N 0 0 304.438 3.005 10 30 DGEERN C=CCN(C)c1nnc(CCC(C)C)n1C[C@H]1CCCCO1 ZINC000339122405 527579234 /nfs/dbraw/zinc/57/92/34/527579234.db2.gz DVCPQJCZYDRYBS-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCN(C1CC1)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000433892089 527580843 /nfs/dbraw/zinc/58/08/43/527580843.db2.gz WHXNOBAKBVMOKM-UHFFFAOYSA-N 0 0 323.458 3.466 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1nc2ccccc2o1 ZINC000342003277 527584841 /nfs/dbraw/zinc/58/48/41/527584841.db2.gz HJKLKQFTDAQAJB-UHFFFAOYSA-N 0 0 312.291 3.337 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000448819552 527586582 /nfs/dbraw/zinc/58/65/82/527586582.db2.gz BPRAWSONDRRIRA-UHFFFAOYSA-N 0 0 324.302 3.060 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000346215270 527588162 /nfs/dbraw/zinc/58/81/62/527588162.db2.gz ZVCFCSUVBSJRSZ-UHFFFAOYSA-N 0 0 309.291 3.267 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1oc(CC2CC2)nc1C ZINC000355171154 527589553 /nfs/dbraw/zinc/58/95/53/527589553.db2.gz YTVZGEFKEKIDFD-UHFFFAOYSA-N 0 0 302.296 3.126 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)OC)ccn1 ZINC000415188276 527597370 /nfs/dbraw/zinc/59/73/70/527597370.db2.gz QRXVCSKWKQACJJ-UHFFFAOYSA-N 0 0 316.401 3.077 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000428033472 527603180 /nfs/dbraw/zinc/60/31/80/527603180.db2.gz AKVZHJBRXOQQDB-ZDUSSCGKSA-N 0 0 314.385 3.366 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000438017309 527620532 /nfs/dbraw/zinc/62/05/32/527620532.db2.gz UNTLTHDBGSWJLH-BHIYHBOVSA-N 0 0 317.429 3.070 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000361102163 527622266 /nfs/dbraw/zinc/62/22/66/527622266.db2.gz LDLPMBNKPZKILQ-IRXDYDNUSA-N 0 0 300.402 3.148 10 30 DGEERN C=CCN(CCC#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000359386437 527654026 /nfs/dbraw/zinc/65/40/26/527654026.db2.gz XISCNOOWPRAGMF-UHFFFAOYSA-N 0 0 324.424 3.457 10 30 DGEERN C=CCN(CCC#N)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000428879165 527659628 /nfs/dbraw/zinc/65/96/28/527659628.db2.gz GAWANOVDGGHCNP-KRWDZBQOSA-N 0 0 313.445 3.214 10 30 DGEERN CCCCn1nccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182947807 527717946 /nfs/dbraw/zinc/71/79/46/527717946.db2.gz OBVFDONIZDYSNR-UHFFFAOYSA-N 0 0 308.385 3.491 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000329595308 527808178 /nfs/dbraw/zinc/80/81/78/527808178.db2.gz IDZOTVXTTUJQAF-IXYNUQLISA-N 0 0 318.465 3.337 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000120937539 527934163 /nfs/dbraw/zinc/93/41/63/527934163.db2.gz ICIVOEYILXWOHQ-AWEZNQCLSA-N 0 0 314.307 3.182 10 30 DGEERN CC(C)O[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1(C)C ZINC000440992542 528081843 /nfs/dbraw/zinc/08/18/43/528081843.db2.gz SWJVSXFATJGVHZ-FJBKBRRZSA-N 0 0 321.465 3.208 10 30 DGEERN CCCCCCCCC(=O)NCCc1nnc2n1CCCC2 ZINC000166216638 528122777 /nfs/dbraw/zinc/12/27/77/528122777.db2.gz IQDVHWSNHMCNIL-UHFFFAOYSA-N 0 0 306.454 3.024 10 30 DGEERN CCCCCCCCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181406445 528122806 /nfs/dbraw/zinc/12/28/06/528122806.db2.gz RXDAAROPBZRQPX-KRWDZBQOSA-N 0 0 320.481 3.034 10 30 DGEERN CCOc1c(F)cccc1C(=O)N(CCC#N)CC(F)(F)F ZINC000177613762 528180486 /nfs/dbraw/zinc/18/04/86/528180486.db2.gz VYYAUTRLRYMMLQ-UHFFFAOYSA-N 0 0 318.270 3.143 10 30 DGEERN CC(C)c1cccc(S(=O)(=O)N(CC#N)C2CCCC2)c1 ZINC000173183959 528185549 /nfs/dbraw/zinc/18/55/49/528185549.db2.gz BKGSTBQCAJRHHZ-UHFFFAOYSA-N 0 0 306.431 3.267 10 30 DGEERN CCOC(=O)c1cccc(Oc2cc(C#N)ccc2[N+](=O)[O-])c1 ZINC000302223674 528255720 /nfs/dbraw/zinc/25/57/20/528255720.db2.gz UJEKCDFEAVCMAF-UHFFFAOYSA-N 0 0 312.281 3.435 10 30 DGEERN CC(C)C[C@@H]1C[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)CCO1 ZINC000328749672 528394896 /nfs/dbraw/zinc/39/48/96/528394896.db2.gz QCUSWFVSNDRGAX-BZUAXINKSA-N 0 0 324.465 3.328 10 30 DGEERN CC(C)Cc1ccc(C(=O)CCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108837025 528644043 /nfs/dbraw/zinc/64/40/43/528644043.db2.gz ABUHQYZMEDNHAH-QGZVFWFLSA-N 0 0 312.413 3.266 10 30 DGEERN CCN(C[C@H](C)C#N)C[C@H](O)COc1ccccc1C(C)C ZINC000157667680 528705441 /nfs/dbraw/zinc/70/54/41/528705441.db2.gz WTVUELXOZCLTDX-CVEARBPZSA-N 0 0 304.434 3.031 10 30 DGEERN CCCc1nc([C@H](Nc2ccc(C#N)cn2)c2ccccc2)no1 ZINC000301641483 528757391 /nfs/dbraw/zinc/75/73/91/528757391.db2.gz BKHLFSJRCYDCJH-QGZVFWFLSA-N 0 0 319.368 3.490 10 30 DGEERN CCC(CC)[C@@H](CCNC(=O)N1CCC(C)(C#N)CC1)OC ZINC000357134598 528813981 /nfs/dbraw/zinc/81/39/81/528813981.db2.gz JMHFMBUAJBWARS-OAHLLOKOSA-N 0 0 309.454 3.163 10 30 DGEERN CC[C@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CCCC1 ZINC000178124082 529166284 /nfs/dbraw/zinc/16/62/84/529166284.db2.gz HCFACFMAASCQAU-ZDUSSCGKSA-N 0 0 306.793 3.450 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000183968655 529300267 /nfs/dbraw/zinc/30/02/67/529300267.db2.gz BHZFTIITGCKXRH-CQSZACIVSA-N 0 0 310.357 3.036 10 30 DGEERN CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1cc(F)ccc1F ZINC000449923574 535799832 /nfs/dbraw/zinc/79/98/32/535799832.db2.gz FSFNDNUXDJAPNX-CQSZACIVSA-N 0 0 303.312 3.056 10 30 DGEERN CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(C#N)n3C)cc2O1 ZINC000451027965 535945668 /nfs/dbraw/zinc/94/56/68/535945668.db2.gz XZOVJKCQLKDDIE-QGZVFWFLSA-N 0 0 311.341 3.046 10 30 DGEERN Cn1c(COc2ccc(C#N)cc2Cl)nnc1C1CCC1 ZINC000181052912 546151605 /nfs/dbraw/zinc/15/16/05/546151605.db2.gz JNMPNGUYEWRCDE-UHFFFAOYSA-N 0 0 302.765 3.187 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ncc(C(F)(F)F)s1)OCC ZINC000277070152 546368222 /nfs/dbraw/zinc/36/82/22/546368222.db2.gz DXGWDHYOFBRPNB-QMMMGPOBSA-N 0 0 308.325 3.472 10 30 DGEERN O=C(N[C@@H]1CCO[C@H]1C1CC1)NC1CCC(C(F)(F)F)CC1 ZINC000328860514 546482238 /nfs/dbraw/zinc/48/22/38/546482238.db2.gz ZAEQYLWXXHICTO-TUUUFIMRSA-N 0 0 320.355 3.179 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NCC1CCCC1)C2 ZINC000329278756 546484286 /nfs/dbraw/zinc/48/42/86/546484286.db2.gz MDLCPQQWPXYXDC-AWEZNQCLSA-N 0 0 318.465 3.189 10 30 DGEERN CC(=O)N1CCC(C(=O)NC2(c3nc(C)cs3)CCC2)CC1 ZINC000329290662 546484735 /nfs/dbraw/zinc/48/47/35/546484735.db2.gz IJWXRFJNPPJDCL-UHFFFAOYSA-N 0 0 321.446 3.046 10 30 DGEERN CC1(C)CN(C(=O)Nc2cccc3c2OCCC3=O)[C@@H]1C1CC1 ZINC000329526416 546487155 /nfs/dbraw/zinc/48/71/55/546487155.db2.gz RKVXUOFMMKSMJF-MRXNPFEDSA-N 0 0 314.385 3.318 10 30 DGEERN Cc1[nH]n(C)c2nnc(NC(=O)C[C@@H]3CCc4ccccc4C3)c1-2 ZINC000329718459 546490763 /nfs/dbraw/zinc/49/07/63/546490763.db2.gz YVHZIDNSPMQNKF-GFCCVEGCSA-N 0 0 323.400 3.388 10 30 DGEERN O=C(CO[C@@H]1CCCc2ccccc21)N[C@@H]1CCCNC1=O ZINC000330362370 546498982 /nfs/dbraw/zinc/49/89/82/546498982.db2.gz ZLRFXTBPCOTHCD-HUUCEWRRSA-N 0 0 302.374 3.156 10 30 DGEERN C=CCn1c(S[C@@H](C)[C@H](C)O)nnc1-c1cccc(C)c1 ZINC000445589821 546839283 /nfs/dbraw/zinc/83/92/83/546839283.db2.gz XTEOEODPCGVOGU-STQMWFEESA-N 0 0 303.431 3.301 10 30 DGEERN C=CCn1c(S[C@H](C)[C@H](C)O)nnc1-c1ccccc1F ZINC000445591216 546839291 /nfs/dbraw/zinc/83/92/91/546839291.db2.gz CVTAMGMXIDYTKO-WDEREUQCSA-N 0 0 307.394 3.132 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cc(F)ccc2F)c1 ZINC000730404737 574528862 /nfs/dbraw/zinc/52/88/62/574528862.db2.gz MPPYIBJYNFUJPY-UHFFFAOYSA-N 0 0 302.276 3.334 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)Cc2csc(C)n2)c1 ZINC000730699592 574534093 /nfs/dbraw/zinc/53/40/93/574534093.db2.gz IBHLDLXVCYELCF-GFCCVEGCSA-N 0 0 315.394 3.310 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](C)OCCC=C)c1 ZINC000730699338 574534168 /nfs/dbraw/zinc/53/41/68/574534168.db2.gz FSTBOGFYACVWNK-HUUCEWRRSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)c2cc(C)nn2CC)c1 ZINC000730702463 574534346 /nfs/dbraw/zinc/53/43/46/574534346.db2.gz GDZRESVYTFRBLP-AWEZNQCLSA-N 0 0 312.369 3.141 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)CC[C@@H]2CCCO2)c1 ZINC000730702018 574534374 /nfs/dbraw/zinc/53/43/74/574534374.db2.gz XBJMOKYDFCLDRA-HOCLYGCPSA-N 0 0 302.370 3.262 10 30 DGEERN C#Cc1ccc(C(=O)N(CC)[C@@H](C)Cc2ccc(OC)cc2)cn1 ZINC000731335038 574547436 /nfs/dbraw/zinc/54/74/36/574547436.db2.gz JUKFRGINTMCVHB-HNNXBMFYSA-N 0 0 322.408 3.165 10 30 DGEERN C[C@H](OC(=O)c1sccc1C#N)C(=O)c1ccc(F)cc1F ZINC000731719596 574557364 /nfs/dbraw/zinc/55/73/64/574557364.db2.gz KKCFPDRGVIMFGQ-QMMMGPOBSA-N 0 0 321.304 3.326 10 30 DGEERN C#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)nc1 ZINC000732029275 574564937 /nfs/dbraw/zinc/56/49/37/574564937.db2.gz HUTDDSFFOUTWAS-OAHLLOKOSA-N 0 0 310.784 3.346 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1 ZINC000741528560 574566255 /nfs/dbraw/zinc/56/62/55/574566255.db2.gz LGYPSNKZWCTMDY-UHFFFAOYSA-N 0 0 323.348 3.046 10 30 DGEERN C#CCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000733247674 574610072 /nfs/dbraw/zinc/61/00/72/574610072.db2.gz NMYVERSUNHHXKD-UHFFFAOYSA-N 0 0 303.365 3.087 10 30 DGEERN C#CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000733247234 574610131 /nfs/dbraw/zinc/61/01/31/574610131.db2.gz DYTUUNCJCJFBCG-UHFFFAOYSA-N 0 0 304.802 3.146 10 30 DGEERN C#CCCNC(=O)c1ccccc1SCc1cc(C)no1 ZINC000733247539 574610139 /nfs/dbraw/zinc/61/01/39/574610139.db2.gz LDWWPCXBULCEMH-UHFFFAOYSA-N 0 0 300.383 3.028 10 30 DGEERN C#CCCNC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000733356812 574617693 /nfs/dbraw/zinc/61/76/93/574617693.db2.gz PAMLQTMLHXQGRN-NSHDSACASA-N 0 0 309.207 3.175 10 30 DGEERN N#Cc1ccc(COC(=O)CNc2ccccc2Cl)cc1 ZINC000733499175 574627333 /nfs/dbraw/zinc/62/73/33/574627333.db2.gz KXZPQZPMVKPMSB-UHFFFAOYSA-N 0 0 300.745 3.367 10 30 DGEERN C=C(CSc1nccn1-c1ccc(OC)cc1)C(=O)OCC ZINC000733871909 574641051 /nfs/dbraw/zinc/64/10/51/574641051.db2.gz YIJMKBDUSXBGPV-UHFFFAOYSA-N 0 0 318.398 3.092 10 30 DGEERN Cc1nn(C)c(C)c1C(=NNc1ccc(C)cn1)C(F)(F)F ZINC000733901361 574641851 /nfs/dbraw/zinc/64/18/51/574641851.db2.gz LSWYJZGJISUDKT-UHFFFAOYSA-N 0 0 311.311 3.119 10 30 DGEERN CC[C@H](CC1CCCCC1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000733934879 574643774 /nfs/dbraw/zinc/64/37/74/574643774.db2.gz LNYHCOOIYOCJNG-SJLPKXTDSA-N 0 0 317.477 3.182 10 30 DGEERN C=C(COC(=O)/C=C\c1ccc(Cl)s1)C(=O)OCC ZINC000734026294 574647602 /nfs/dbraw/zinc/64/76/02/574647602.db2.gz KCGCZEGXYMIQMH-ALCCZGGFSA-N 0 0 300.763 3.077 10 30 DGEERN C(=Nn1cnc2ccccc21)c1nccn1Cc1ccccc1 ZINC000734092767 574650850 /nfs/dbraw/zinc/65/08/50/574650850.db2.gz AGPZBGLBJRZMFR-UHFFFAOYSA-N 0 0 301.353 3.163 10 30 DGEERN C=CC[C@H](NC(=O)c1coc(Br)c1)c1ccncc1 ZINC000734457854 574663034 /nfs/dbraw/zinc/66/30/34/574663034.db2.gz QFNLVECVMWOGPP-LBPRGKRZSA-N 0 0 321.174 3.484 10 30 DGEERN C=CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccncc1 ZINC000734459680 574663087 /nfs/dbraw/zinc/66/30/87/574663087.db2.gz JLBHQLGZHFZISV-GFCCVEGCSA-N 0 0 317.370 3.407 10 30 DGEERN C=CC[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)c1ccncc1 ZINC000734456232 574662522 /nfs/dbraw/zinc/66/25/22/574662522.db2.gz UJIISWQKPXKJIK-MRXNPFEDSA-N 0 0 320.352 3.179 10 30 DGEERN C=CCN(CC=C)C(=O)CSC[C@H]1OCCc2ccccc21 ZINC000734510222 574665391 /nfs/dbraw/zinc/66/53/91/574665391.db2.gz QVFCHSAFDSUHDE-QGZVFWFLSA-N 0 0 317.454 3.234 10 30 DGEERN O=[N+]([O-])c1ccc(N=NC2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000734744534 574675278 /nfs/dbraw/zinc/67/52/78/574675278.db2.gz SCEDAPGSGFQOKJ-UHFFFAOYSA-N 0 0 317.267 3.230 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)CC[C@@H]1CCCO1 ZINC000735342698 574698855 /nfs/dbraw/zinc/69/88/55/574698855.db2.gz DWMAYSPNUCGAAQ-AWEZNQCLSA-N 0 0 323.776 3.245 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1cncs1 ZINC000735341490 574698987 /nfs/dbraw/zinc/69/89/87/574698987.db2.gz MCKNTWCAHMTMSV-UHFFFAOYSA-N 0 0 308.746 3.056 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)CC2CCOCC2)c1 ZINC000735400507 574700597 /nfs/dbraw/zinc/70/05/97/574700597.db2.gz SWTCNMLHSDJRAX-AWEZNQCLSA-N 0 0 302.370 3.120 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000735877416 574719100 /nfs/dbraw/zinc/71/91/00/574719100.db2.gz JWEVLAPGMGYZJM-HNNXBMFYSA-N 0 0 315.335 3.338 10 30 DGEERN C=C(Cl)CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000736242195 574737259 /nfs/dbraw/zinc/73/72/59/574737259.db2.gz KLTWJGXDCZNGNW-UHFFFAOYSA-N 0 0 322.723 3.153 10 30 DGEERN C=C(Cl)CNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000736246192 574738297 /nfs/dbraw/zinc/73/82/97/574738297.db2.gz PMXOHBSDUNKBFQ-UHFFFAOYSA-N 0 0 313.582 3.413 10 30 DGEERN C=C(Cl)CNC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000736246288 574738456 /nfs/dbraw/zinc/73/84/56/574738456.db2.gz VUKVMDHXTOQNLS-UHFFFAOYSA-N 0 0 310.184 3.316 10 30 DGEERN C=CCn1c2ccccc2n(CN(C)C[C@H]2CCCO2)c1=S ZINC000738064484 574858607 /nfs/dbraw/zinc/85/86/07/574858607.db2.gz CEWQZBDDGVBEDP-CQSZACIVSA-N 0 0 317.458 3.427 10 30 DGEERN N#Cc1cccc(OCC(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000739609636 574909007 /nfs/dbraw/zinc/90/90/07/574909007.db2.gz BVLDWSQZXHMIFP-UHFFFAOYSA-N 0 0 304.349 3.015 10 30 DGEERN C#CCSCCNC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000739817741 574912521 /nfs/dbraw/zinc/91/25/21/574912521.db2.gz KKCNWGLRSJXFKE-INIZCTEOSA-N 0 0 319.470 3.450 10 30 DGEERN C#CCSCCNC(=O)NC(C1CCCC1)C1CCCC1 ZINC000740058453 574921384 /nfs/dbraw/zinc/92/13/84/574921384.db2.gz VYJZCNRHZJYPBD-UHFFFAOYSA-N 0 0 308.491 3.401 10 30 DGEERN CCC(=NNCc1cccc2cccnc21)c1c(C)nn(C)c1C ZINC000741847239 574973283 /nfs/dbraw/zinc/97/32/83/574973283.db2.gz IZSCVKNFYDBMON-UHFFFAOYSA-N 0 0 321.428 3.489 10 30 DGEERN C#CCN(CC#CC)C(=O)c1cn(CC(C)C)c2ccccc12 ZINC000742130539 574981865 /nfs/dbraw/zinc/98/18/65/574981865.db2.gz IZYNDHIINNGVQG-UHFFFAOYSA-N 0 0 306.409 3.396 10 30 DGEERN C=CCOc1ccc(OC(=O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000742864826 575023174 /nfs/dbraw/zinc/02/31/74/575023174.db2.gz YZTGYBZQFXLKCG-UHFFFAOYSA-N 0 0 321.373 3.024 10 30 DGEERN C=CCNC(=S)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000743006668 575028614 /nfs/dbraw/zinc/02/86/14/575028614.db2.gz GWBSAQRKBUPGPN-VIFPVBQESA-N 0 0 303.214 3.077 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)Nc1ccnn1CCC ZINC000743081091 575035029 /nfs/dbraw/zinc/03/50/29/575035029.db2.gz VCOJPILDXCGNNX-UHFFFAOYSA-N 0 0 316.336 3.088 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1cc(NC(C)=O)c(F)cc1F ZINC000729564899 575255994 /nfs/dbraw/zinc/25/59/94/575255994.db2.gz KFTOUJJNZIRHFQ-UHFFFAOYSA-N 0 0 311.332 3.353 10 30 DGEERN O=C(/C=C\c1cnn2ccccc12)c1ccc(-n2cccn2)cc1 ZINC000729643616 575258335 /nfs/dbraw/zinc/25/83/35/575258335.db2.gz DJPHOGZHOYOLBE-YFHOEESVSA-N 0 0 314.348 3.416 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cccnc2Cl)c(F)c1 ZINC000729856649 575264490 /nfs/dbraw/zinc/26/44/90/575264490.db2.gz FFYOGEVAUPPODG-UHFFFAOYSA-N 0 0 304.712 3.067 10 30 DGEERN C#CCCCNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000742333295 575838631 /nfs/dbraw/zinc/83/86/31/575838631.db2.gz UIMOJFABJNLQRS-UHFFFAOYSA-N 0 0 307.459 3.293 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1csc(-c2ccccn2)n1 ZINC000725715522 575840674 /nfs/dbraw/zinc/84/06/74/575840674.db2.gz XHKRKMXPQNQZES-MRXNPFEDSA-N 0 0 314.414 3.263 10 30 DGEERN C#CCCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000742789100 575901606 /nfs/dbraw/zinc/90/16/06/575901606.db2.gz VLYMOIGWUKIJOY-UHFFFAOYSA-N 0 0 312.417 3.279 10 30 DGEERN CC(N=Nc1ccc(Br)cn1)c1ccc(O)cc1 ZINC000727265891 576116324 /nfs/dbraw/zinc/11/63/24/576116324.db2.gz BCRKUXPHDYXYPT-UHFFFAOYSA-N 0 0 306.163 3.386 10 30 DGEERN Cc1ccc(NN=C2c3ccccc3N(CC(C)C)C2=O)nc1 ZINC000727262912 576116903 /nfs/dbraw/zinc/11/69/03/576116903.db2.gz CZMIVNCRRMNKSP-UHFFFAOYSA-N 0 0 308.385 3.209 10 30 DGEERN C=CCNC(=O)COC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000727555552 576131660 /nfs/dbraw/zinc/13/16/60/576131660.db2.gz YMHXILFXXNETDI-UHFFFAOYSA-N 0 0 317.429 3.152 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C)cn1 ZINC000728808446 576207110 /nfs/dbraw/zinc/20/71/10/576207110.db2.gz ZDPTYMBZELMKIQ-UHFFFAOYSA-N 0 0 316.364 3.118 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)nc1 ZINC000728809916 576207693 /nfs/dbraw/zinc/20/76/93/576207693.db2.gz BDUSTXQHGGBHPS-LLVKDONJSA-N 0 0 300.308 3.174 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@@H]2CCCc3cc(OC)ccc32)nc1 ZINC000728811193 576207947 /nfs/dbraw/zinc/20/79/47/576207947.db2.gz RXWBYBQEDZDKOL-LJQANCHMSA-N 0 0 320.392 3.221 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000154603251 620692846 /nfs/dbraw/zinc/69/28/46/620692846.db2.gz CZMOZRAIQVWBQH-AWEZNQCLSA-N 0 0 309.312 3.409 10 30 DGEERN N#C[C@@H](COC(=O)C[C@H]1CSCCS1)Cc1ccccc1 ZINC000155015733 620755604 /nfs/dbraw/zinc/75/56/04/620755604.db2.gz LEVXKHVXPQFJTG-GJZGRUSLSA-N 0 0 321.467 3.151 10 30 DGEERN N#CCOc1ccc(CC(=O)OCCc2ccc(F)cc2)cc1 ZINC000111991806 620778943 /nfs/dbraw/zinc/77/89/43/620778943.db2.gz VJFJPTVHHOZJRM-UHFFFAOYSA-N 0 0 313.328 3.056 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H](C)C2CCOCC2)cc1OC ZINC000151485637 620449006 /nfs/dbraw/zinc/44/90/06/620449006.db2.gz HYRPNFXLZZWJTI-ZDUSSCGKSA-N 0 0 320.385 3.232 10 30 DGEERN C#C[C@@H](OC(=O)CCCOc1cccc(C(C)=O)c1)C1CC1 ZINC000152857630 620525644 /nfs/dbraw/zinc/52/56/44/620525644.db2.gz VYBYHQHOBPAQRB-QGZVFWFLSA-N 0 0 300.354 3.003 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccc(F)cc1)Cc1cccs1 ZINC000153300076 620547329 /nfs/dbraw/zinc/54/73/29/620547329.db2.gz XPXVJMMLECRVBP-ZDUSSCGKSA-N 0 0 303.358 3.355 10 30 DGEERN C#CCC(C)(C)COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000153354917 620554118 /nfs/dbraw/zinc/55/41/18/620554118.db2.gz NZWGDWNMMPAMES-CQSZACIVSA-N 0 0 323.433 3.273 10 30 DGEERN CC(=O)CCc1ccc(OCC(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000153363649 620554807 /nfs/dbraw/zinc/55/48/07/620554807.db2.gz HDKRTHSCFMXPCD-INIZCTEOSA-N 0 0 317.385 3.068 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCSC(C)(C)C ZINC000112763537 620851760 /nfs/dbraw/zinc/85/17/60/620851760.db2.gz DEFNDYYIHONVFN-LBPRGKRZSA-N 0 0 307.415 3.400 10 30 DGEERN CSCCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000114619586 621024638 /nfs/dbraw/zinc/02/46/38/621024638.db2.gz WTPMFGJWMZLIQI-LLVKDONJSA-N 0 0 303.412 3.134 10 30 DGEERN C#Cc1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)c1 ZINC000103033868 621224657 /nfs/dbraw/zinc/22/46/57/621224657.db2.gz AMCHCMJSLFJDOS-VAWYXSNFSA-N 0 0 313.360 3.287 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)c2cccc3ncccc32)c1 ZINC000103061365 621242193 /nfs/dbraw/zinc/24/21/93/621242193.db2.gz ZXURVZASPVLVOI-UHFFFAOYSA-N 0 0 322.389 3.041 10 30 DGEERN C[C@H](OC(=O)c1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000118990917 621604900 /nfs/dbraw/zinc/60/49/00/621604900.db2.gz GESBOTUXOJKSKU-JTQLQIEISA-N 0 0 315.350 3.309 10 30 DGEERN C=CCN(Cc1c(Cl)nc(Cl)n1C)CC(F)(F)F ZINC000119486142 621678676 /nfs/dbraw/zinc/67/86/76/621678676.db2.gz YTBAXUTVQBOJEI-UHFFFAOYSA-N 0 0 302.127 3.277 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cnc(Cl)s1 ZINC000120880939 622043785 /nfs/dbraw/zinc/04/37/85/622043785.db2.gz BUNLAFVHZUIORP-UHFFFAOYSA-N 0 0 315.789 3.283 10 30 DGEERN COCCC1(C(=O)OCC#Cc2cccc(OC)c2)CCCC1 ZINC000121187363 622157812 /nfs/dbraw/zinc/15/78/12/622157812.db2.gz VXGWVPDMDKGNJG-UHFFFAOYSA-N 0 0 316.397 3.187 10 30 DGEERN C#CC[C@@H](OC(=O)COC/C=C/c1ccccc1)c1ccccn1 ZINC000124211519 622959171 /nfs/dbraw/zinc/95/91/71/622959171.db2.gz QJMASKNVBBQFAL-YRVHBARZSA-N 0 0 321.376 3.419 10 30 DGEERN C#CCN(C(=O)NCCc1ccc(F)cc1C)C1CCCC1 ZINC000124398422 623035281 /nfs/dbraw/zinc/03/52/81/623035281.db2.gz MAWRIKJDFORFDO-UHFFFAOYSA-N 0 0 302.393 3.264 10 30 DGEERN COc1cccc(C#CCOC(=O)c2cnc(C(C)C)s2)c1 ZINC000124477441 623104411 /nfs/dbraw/zinc/10/44/11/623104411.db2.gz AIHANFMRIZXASE-UHFFFAOYSA-N 0 0 315.394 3.484 10 30 DGEERN COc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1C#N ZINC000125034690 623279005 /nfs/dbraw/zinc/27/90/05/623279005.db2.gz PVIRPHOTPJQNCJ-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN Cc1ccc(CCCCC(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 ZINC000126917000 624171099 /nfs/dbraw/zinc/17/10/99/624171099.db2.gz SUQNTENAVBEMMO-QGZVFWFLSA-N 0 0 312.413 3.039 10 30 DGEERN CCOC(=O)c1cccc(OC(=O)c2sccc2C#N)c1 ZINC000127993013 624668919 /nfs/dbraw/zinc/66/89/19/624668919.db2.gz JTUBGEHQQFDSDY-UHFFFAOYSA-N 0 0 301.323 3.016 10 30 DGEERN C[C@H](OC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)C(C)(C)C#N ZINC000130627966 625881220 /nfs/dbraw/zinc/88/12/20/625881220.db2.gz MPPDBFXKURCQAK-TYNCELHUSA-N 0 0 314.385 3.376 10 30 DGEERN C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1F)C(C)(C)C#N ZINC000130798813 625903821 /nfs/dbraw/zinc/90/38/21/625903821.db2.gz UBGPKKDSQWOSDJ-JTQLQIEISA-N 0 0 309.312 3.409 10 30 DGEERN CC#CCOC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000133836867 626841485 /nfs/dbraw/zinc/84/14/85/626841485.db2.gz BAUKSPRYYACLNN-UHFFFAOYSA-N 0 0 315.369 3.164 10 30 DGEERN C#C[C@H](OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000134108477 626856081 /nfs/dbraw/zinc/85/60/81/626856081.db2.gz LCRMDJUKNUHISA-HNNXBMFYSA-N 0 0 308.337 3.183 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCc1ccccc1F ZINC000108626750 631910338 /nfs/dbraw/zinc/91/03/38/631910338.db2.gz DORCSEDHJSWKTM-CYBMUJFWSA-N 0 0 313.328 3.251 10 30 DGEERN CC(C)(CC#N)COC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000184824131 660189406 /nfs/dbraw/zinc/18/94/06/660189406.db2.gz WZHVWZYSWRKFCU-UHFFFAOYSA-N 0 0 316.279 3.119 10 30 DGEERN C#CCC(C)(C)COC(=O)c1cccnc1OCC(F)(F)F ZINC000185373362 660219556 /nfs/dbraw/zinc/21/95/56/660219556.db2.gz CMLFZIPCDIAOFD-UHFFFAOYSA-N 0 0 315.291 3.229 10 30 DGEERN C#CCC(C)(C)COC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000185370400 660219557 /nfs/dbraw/zinc/21/95/57/660219557.db2.gz LGAMPIZOTBWZJJ-UHFFFAOYSA-N 0 0 318.388 3.467 10 30 DGEERN CCCCCCCCCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173812917 659402583 /nfs/dbraw/zinc/40/25/83/659402583.db2.gz FNJBYNGPMDECHG-ROUUACIJSA-N 0 0 324.509 3.306 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000185781334 660241190 /nfs/dbraw/zinc/24/11/90/660241190.db2.gz RYNFDODKZPTKIX-HNNXBMFYSA-N 0 0 317.335 3.299 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Oc1cccc(C)c1)c1ccccn1 ZINC000073294394 660261171 /nfs/dbraw/zinc/26/11/71/660261171.db2.gz VGJKOCBOYJBEMW-MAUKXSAKSA-N 0 0 309.365 3.465 10 30 DGEERN C#CC[C@@H](OC(=O)COc1ccc(C)cc1C)c1ccccn1 ZINC000073294798 660261197 /nfs/dbraw/zinc/26/11/97/660261197.db2.gz NVEMHNIQZPRRLL-GOSISDBHSA-N 0 0 309.365 3.385 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@H]1CC=CCC1 ZINC000073720128 660534001 /nfs/dbraw/zinc/53/40/01/660534001.db2.gz QPYGHMUKNQUYPA-INIZCTEOSA-N 0 0 315.417 3.246 10 30 DGEERN C#CC(C)(C)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000704265775 660806543 /nfs/dbraw/zinc/80/65/43/660806543.db2.gz MNIHNRRGXOCCMU-NSHDSACASA-N 0 0 308.219 3.471 10 30 DGEERN C#CCN(CC)C(=O)/C=C\c1ccc(C)cc1Br ZINC000704339877 660807750 /nfs/dbraw/zinc/80/77/50/660807750.db2.gz XRPWEBDRUQGFKR-HJWRWDBZSA-N 0 0 306.203 3.252 10 30 DGEERN N#Cc1cc(Br)cnc1NCC[C@H]1CCSC1 ZINC000704866213 660823239 /nfs/dbraw/zinc/82/32/39/660823239.db2.gz JXBGXWXGCHHPSB-VIFPVBQESA-N 0 0 312.236 3.271 10 30 DGEERN C#C[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000709572750 660929639 /nfs/dbraw/zinc/92/96/39/660929639.db2.gz AYNMJAZQUKLROE-JTQLQIEISA-N 0 0 310.166 3.074 10 30 DGEERN CC(C)(C)OC(=O)N1CC(CNc2ccc(CC#N)cc2)C1 ZINC000710903528 660936745 /nfs/dbraw/zinc/93/67/45/660936745.db2.gz YUOZALDWPCXMIX-UHFFFAOYSA-N 0 0 301.390 3.031 10 30 DGEERN N#Cc1c(Br)cccc1N[C@@H]1COC2(CCC2)C1 ZINC000711154730 660940368 /nfs/dbraw/zinc/94/03/68/660940368.db2.gz MTWAZUIBOIKLNQ-JTQLQIEISA-N 0 0 307.191 3.444 10 30 DGEERN N#C[C@H](C(=O)C1(c2ccccc2)CCOCC1)c1ccccn1 ZINC000049458405 655523934 /nfs/dbraw/zinc/52/39/34/655523934.db2.gz TYDMSBJURXUYCO-INIZCTEOSA-N 0 0 306.365 3.006 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000175729408 655538854 /nfs/dbraw/zinc/53/88/54/655538854.db2.gz FPSRSTPHGJAWOU-CYBMUJFWSA-N 0 0 307.315 3.294 10 30 DGEERN O=C(/C=C\c1ccc(Br)c(F)c1)c1cnccn1 ZINC000254992126 655555816 /nfs/dbraw/zinc/55/58/16/655555816.db2.gz HOODXSCKBSMIFS-RQOWECAXSA-N 0 0 307.122 3.274 10 30 DGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175776663 655574405 /nfs/dbraw/zinc/57/44/05/655574405.db2.gz OYFBLLWDSRRELB-NSHDSACASA-N 0 0 311.297 3.088 10 30 DGEERN COc1cccc(C2CC(=O)C(=CN[C@H](C)C(C)C)C(=O)C2)c1 ZINC000121021342 655599840 /nfs/dbraw/zinc/59/98/40/655599840.db2.gz GPOXWQIASDSBOX-AFYYWNPRSA-N 0 0 315.413 3.229 10 30 DGEERN CON=Cc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000255112639 655600577 /nfs/dbraw/zinc/60/05/77/655600577.db2.gz CBAFWKSKMNKEEF-LBPRGKRZSA-N 0 0 323.352 3.461 10 30 DGEERN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000175874988 655618877 /nfs/dbraw/zinc/61/88/77/655618877.db2.gz MRMJDJHUFAPWIV-KGLIPLIRSA-N 0 0 310.438 3.152 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@@H](C)NC(=O)C1CCCCC1)C(C)C ZINC000177741373 655636145 /nfs/dbraw/zinc/63/61/45/655636145.db2.gz APJBMZBJXXKGTM-GDBMZVCRSA-N 0 0 307.434 3.053 10 30 DGEERN C=C[C@@H](C)OC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000187636841 655649458 /nfs/dbraw/zinc/64/94/58/655649458.db2.gz XEARKBMKIVFQIZ-CYBMUJFWSA-N 0 0 319.426 3.132 10 30 DGEERN COCCC1(C(=O)OC[C@H](C#N)Cc2ccccc2)CCC1 ZINC000177943107 655678764 /nfs/dbraw/zinc/67/87/64/655678764.db2.gz PQYTZRZPDCZHRQ-INIZCTEOSA-N 0 0 301.386 3.119 10 30 DGEERN CC[C@@H](Nc1ncc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000723857622 655726179 /nfs/dbraw/zinc/72/61/79/655726179.db2.gz JLLRCBVSEUZVGT-ZWNOBZJWSA-N 0 0 324.222 3.333 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCCc1cccc(C(F)(F)F)c1 ZINC000176137184 655736709 /nfs/dbraw/zinc/73/67/09/655736709.db2.gz WNAZIAIMCKQPHE-UHFFFAOYSA-N 0 0 322.286 3.315 10 30 DGEERN C[C@@H](C(=O)O[C@H](C#N)C1CC1)c1ccc(Br)s1 ZINC000176066984 655738096 /nfs/dbraw/zinc/73/80/96/655738096.db2.gz HOGVFCUOVDCWCK-VXNVDRBHSA-N 0 0 314.204 3.459 10 30 DGEERN COc1ccccc1C[C@H]1CCCN1C(=O)C#Cc1ccccc1 ZINC000176148868 655744259 /nfs/dbraw/zinc/74/42/59/655744259.db2.gz IRFAZWULSMJCHW-LJQANCHMSA-N 0 0 319.404 3.280 10 30 DGEERN COc1ccccc1NC(=O)CON=Cc1ccc(Cl)cc1 ZINC000255428014 655747400 /nfs/dbraw/zinc/74/74/00/655747400.db2.gz DZEFUSWENQHQSU-UHFFFAOYSA-N 0 0 318.760 3.338 10 30 DGEERN N#C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C1CCCCC1 ZINC000161110322 655748485 /nfs/dbraw/zinc/74/84/85/655748485.db2.gz IJELVSKSMIDNPU-LPQFERQCSA-N 0 0 304.415 3.049 10 30 DGEERN CC(C)(C)c1nc(CON=Cc2ccc([N+](=O)[O-])o2)cs1 ZINC000255437499 655749740 /nfs/dbraw/zinc/74/97/40/655749740.db2.gz ZAYLSQKBGJZOGM-UHFFFAOYSA-N 0 0 309.347 3.493 10 30 DGEERN C=CCCCOC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000080325830 655752566 /nfs/dbraw/zinc/75/25/66/655752566.db2.gz ZLPHSSBTAVCNQC-MRXNPFEDSA-N 0 0 303.402 3.259 10 30 DGEERN C=CCCCN(C)C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000176669340 655776098 /nfs/dbraw/zinc/77/60/98/655776098.db2.gz YGPFTNUCAQXDFJ-QGZVFWFLSA-N 0 0 310.438 3.058 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000255557661 655795949 /nfs/dbraw/zinc/79/59/49/655795949.db2.gz QFIPOIRTMRRYII-SREVYHEPSA-N 0 0 318.292 3.010 10 30 DGEERN CC(C)Oc1ccccc1C=NOCC(=O)NC1CCCCC1 ZINC000255565851 655802555 /nfs/dbraw/zinc/80/25/55/655802555.db2.gz SYYATDPSDJLLRP-UHFFFAOYSA-N 0 0 318.417 3.273 10 30 DGEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)CCc1ccc(C)cc1 ZINC000069911099 655806382 /nfs/dbraw/zinc/80/63/82/655806382.db2.gz RIFBRELCBRIKQC-KRWDZBQOSA-N 0 0 314.429 3.333 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nc(-c2ccoc2)no1)C(C)(C)C ZINC000159725612 655850885 /nfs/dbraw/zinc/85/08/85/655850885.db2.gz PJRPXPJONAARDF-CYBMUJFWSA-N 0 0 316.357 3.243 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1cccc(OCCOC)c1)C(C)(C)C ZINC000159865768 655853199 /nfs/dbraw/zinc/85/31/99/655853199.db2.gz SCVXZTUJOIXPDA-QGZVFWFLSA-N 0 0 318.413 3.236 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(OCC(F)F)n1)C(C)(C)C ZINC000159866204 655853252 /nfs/dbraw/zinc/85/32/52/655853252.db2.gz IHQSWFZMBROOSF-LBPRGKRZSA-N 0 0 311.328 3.320 10 30 DGEERN COC[C@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 ZINC000714268520 661198381 /nfs/dbraw/zinc/19/83/81/661198381.db2.gz HBMMNUJEPSURSR-WAAGHKOSSA-N 0 0 313.170 3.297 10 30 DGEERN C[C@H](Oc1ccc(Br)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000177035908 655889639 /nfs/dbraw/zinc/88/96/39/655889639.db2.gz VHCDAGAORUJPDB-TVQRCGJNSA-N 0 0 324.174 3.062 10 30 DGEERN N#Cc1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)ccc1F ZINC000255731209 655892675 /nfs/dbraw/zinc/89/26/75/655892675.db2.gz XLZGDEACSRAXHS-FPLPWBNLSA-N 0 0 320.320 3.249 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccc(O)c(F)c1)C2=O ZINC000255768218 655896971 /nfs/dbraw/zinc/89/69/71/655896971.db2.gz GOEFTYMDXKBBRF-XFFZJAGNSA-N 0 0 300.285 3.199 10 30 DGEERN N#Cc1ccc(OC(=O)/C=C\c2ccnc(Cl)c2)c(F)c1 ZINC000255844927 655911543 /nfs/dbraw/zinc/91/15/43/655911543.db2.gz XSPDBBFSYQWXAH-RQOWECAXSA-N 0 0 302.692 3.365 10 30 DGEERN C=C(C)COC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000177198103 655916886 /nfs/dbraw/zinc/91/68/86/655916886.db2.gz OYAPTWBQUGMJGG-JTQLQIEISA-N 0 0 314.307 3.028 10 30 DGEERN C[C@H](CC(C)(C)C#N)NCc1ncc(Br)s1 ZINC000714949008 661204785 /nfs/dbraw/zinc/20/47/85/661204785.db2.gz BMLTTWCWIPVEBY-MRVPVSSYSA-N 0 0 302.241 3.324 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@H](C)Sc2nncn2C)CC1 ZINC000177695401 655940331 /nfs/dbraw/zinc/94/03/31/655940331.db2.gz 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ZINC000195055525 656208528 /nfs/dbraw/zinc/20/85/28/656208528.db2.gz UGKNKWGJOPDIQV-OAHLLOKOSA-N 0 0 314.429 3.306 10 30 DGEERN C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc2c(c1)OCCO2 ZINC000066882966 656301092 /nfs/dbraw/zinc/30/10/92/656301092.db2.gz HUOQHZQKGIWNBN-ZDUSSCGKSA-N 0 0 323.348 3.442 10 30 DGEERN O=C(CCc1nnc(C2CCCC2)o1)OCC#Cc1ccccc1 ZINC000162871870 656422638 /nfs/dbraw/zinc/42/26/38/656422638.db2.gz PENLMFMAWNKZEJ-UHFFFAOYSA-N 0 0 324.380 3.255 10 30 DGEERN C=CCNc1ncc(C(=O)N(C)Cc2ccc(Cl)nc2)s1 ZINC000178505906 656514248 /nfs/dbraw/zinc/51/42/48/656514248.db2.gz WGQHGWYIBOUNJT-UHFFFAOYSA-N 0 0 322.821 3.062 10 30 DGEERN N#Cc1sc(NC[C@H]2CC[C@H](C(F)(F)F)O2)nc1Cl ZINC000722379935 656625960 /nfs/dbraw/zinc/62/59/60/656625960.db2.gz NFTLDXQPCDUJAG-IYSWYEEDSA-N 0 0 311.716 3.190 10 30 DGEERN COC1(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)CCCCC1 ZINC000187388276 661287351 /nfs/dbraw/zinc/28/73/51/661287351.db2.gz SRKJOBWEGZDOJX-OAHLLOKOSA-N 0 0 319.376 3.400 10 30 DGEERN Cc1nc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c(C)s1 ZINC000178761241 657040672 /nfs/dbraw/zinc/04/06/72/657040672.db2.gz GNXRFHJGPGGQDD-CQSZACIVSA-N 0 0 300.383 3.299 10 30 DGEERN N#Cc1ccc(NS(=O)(=O)/C=C/c2ccc(F)cc2)c(F)c1 ZINC000178809150 657066034 /nfs/dbraw/zinc/06/60/34/657066034.db2.gz RIEAEQZLKLYVAH-BQYQJAHWSA-N 0 0 320.320 3.249 10 30 DGEERN C=C(Br)CNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000049445733 657341337 /nfs/dbraw/zinc/34/13/37/657341337.db2.gz DDNASVZHVZUOCF-MPEURRAXSA-N 0 0 313.239 3.115 10 30 DGEERN C=C(C)CN(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000180415998 657363325 /nfs/dbraw/zinc/36/33/25/657363325.db2.gz IMFVXFCYXLAFPP-UHFFFAOYSA-N 0 0 318.417 3.359 10 30 DGEERN COc1ccc(CSCc2ncc(Cl)n2C)cc1C#N ZINC000179012302 657391300 /nfs/dbraw/zinc/39/13/00/657391300.db2.gz ZVWMSSPOIFRBLM-UHFFFAOYSA-N 0 0 307.806 3.387 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)Cc1ncc(C)c(OC)c1C ZINC000303439650 657535372 /nfs/dbraw/zinc/53/53/72/657535372.db2.gz HLXRCVSTESNQDE-UHFFFAOYSA-N 0 0 312.388 3.482 10 30 DGEERN C[C@H]1CCN(c2cc(Br)c(C#N)cc2F)CCO1 ZINC000720455007 657750940 /nfs/dbraw/zinc/75/09/40/657750940.db2.gz PWSSHMHWEHSSOE-VIFPVBQESA-N 0 0 313.170 3.075 10 30 DGEERN C#C[C@H](C)OC(=O)CCCCCC(=O)c1ccc(OC)cc1 ZINC000191122924 657792677 /nfs/dbraw/zinc/79/26/77/657792677.db2.gz DULVIUPWQUSYLE-AWEZNQCLSA-N 0 0 302.370 3.393 10 30 DGEERN C=C(C)COC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000098070068 657842945 /nfs/dbraw/zinc/84/29/45/657842945.db2.gz QIDYZSNWIWHFBR-ZDUSSCGKSA-N 0 0 303.402 3.222 10 30 DGEERN COc1ccc(/C=C2/COc3c(OC)cccc3C2=O)cc1O ZINC000098125407 657912435 /nfs/dbraw/zinc/91/24/35/657912435.db2.gz PTJZZFREBDFNEP-WQLSENKSSA-N 0 0 312.321 3.068 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)C[C@H]1CCCCO1 ZINC000088810367 658640661 /nfs/dbraw/zinc/64/06/61/658640661.db2.gz FJRCEBSUPZFWKG-HUUCEWRRSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C1CCCC1 ZINC000163861402 658904840 /nfs/dbraw/zinc/90/48/40/658904840.db2.gz SZFKYXMSFRIBQE-UONOGXRCSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)CSc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000163993701 658912316 /nfs/dbraw/zinc/91/23/16/658912316.db2.gz VILUNGBTISTRHG-UHFFFAOYSA-N 0 0 318.398 3.091 10 30 DGEERN C#CCN(C(=O)c1cc2ccccc2c(OC)n1)C1CCCC1 ZINC000164043769 658914033 /nfs/dbraw/zinc/91/40/33/658914033.db2.gz IQLZXDBINKUMJT-UHFFFAOYSA-N 0 0 308.381 3.261 10 30 DGEERN N#Cc1ccccc1N1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000055190839 658916836 /nfs/dbraw/zinc/91/68/36/658916836.db2.gz HICWOBJDNAVSHZ-ZROIWOOFSA-N 0 0 323.402 3.359 10 30 DGEERN Cc1nccn1CCCNc1c(C#N)cnc2cc(C)ccc21 ZINC000223147416 658964342 /nfs/dbraw/zinc/96/43/42/658964342.db2.gz GGTYNTQUSBPECL-UHFFFAOYSA-N 0 0 305.385 3.422 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1csc([C@H]2CCCO2)n1 ZINC000165737210 659003037 /nfs/dbraw/zinc/00/30/37/659003037.db2.gz JVWYGQNWBHQHQK-OAHLLOKOSA-N 0 0 313.378 3.203 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)Cc1ccc(C)s1 ZINC000057217363 659008664 /nfs/dbraw/zinc/00/86/64/659008664.db2.gz ZQTBAVHQELNWNM-UHFFFAOYSA-N 0 0 301.367 3.475 10 30 DGEERN C#CCN(CC#C)C(=O)c1ccc(-c2ccc(OC)cc2)cc1F ZINC000075392718 659013533 /nfs/dbraw/zinc/01/35/33/659013533.db2.gz YTTNTCZJEITKDZ-UHFFFAOYSA-N 0 0 321.351 3.210 10 30 DGEERN C#CCN(CC#C)C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000075392037 659013855 /nfs/dbraw/zinc/01/38/55/659013855.db2.gz JALDFUKKIJPCDW-UHFFFAOYSA-N 0 0 321.376 3.184 10 30 DGEERN C#CCOCCC(=O)O[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000166885960 659061275 /nfs/dbraw/zinc/06/12/75/659061275.db2.gz APUCGPFQXOEWFR-OLZOCXBDSA-N 0 0 317.410 3.371 10 30 DGEERN Oc1ccc(/C=N/Cc2cccc(-c3ccccn3)c2)c(O)c1O ZINC000158254607 659153180 /nfs/dbraw/zinc/15/31/80/659153180.db2.gz ZJWBHXGSNXWCCQ-UDWIEESQSA-N 0 0 320.348 3.485 10 30 DGEERN CCCN(CCc1ccccn1)C(=O)/C=C/c1ccccc1C#N ZINC000061435357 659266095 /nfs/dbraw/zinc/26/60/95/659266095.db2.gz CMRLJVDCSDNCFP-ZHACJKMWSA-N 0 0 319.408 3.448 10 30 DGEERN N#C[C@H](C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777050 659297582 /nfs/dbraw/zinc/29/75/82/659297582.db2.gz 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/nfs/dbraw/zinc/61/64/03/659616403.db2.gz BSBNAYDPXWLPDH-MNOVXSKESA-N 0 0 323.311 3.048 10 30 DGEERN N#CCC1(COC(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000174748448 659625784 /nfs/dbraw/zinc/62/57/84/659625784.db2.gz YLCAEXBXHSKBDR-UHFFFAOYSA-N 0 0 313.275 3.365 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@@H](C)C(F)(F)F)c(OC)c1 ZINC000174894023 659910995 /nfs/dbraw/zinc/91/09/95/659910995.db2.gz IJKUFNCCQQMGFO-JTQLQIEISA-N 0 0 318.291 3.297 10 30 DGEERN N#C[C@H](COC(=O)CCC1CCOCC1)Cc1ccccc1 ZINC000175374572 659920071 /nfs/dbraw/zinc/92/00/71/659920071.db2.gz AOFWUCCHAUPBAS-QGZVFWFLSA-N 0 0 301.386 3.119 10 30 DGEERN C#Cc1cccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)c1 ZINC000170844556 659925968 /nfs/dbraw/zinc/92/59/68/659925968.db2.gz BELQIOGIXXNHPQ-UHFFFAOYSA-N 0 0 323.352 3.335 10 30 DGEERN N#C[C@H](COC(=O)COCc1ccccc1)Cc1cccs1 ZINC000180095419 659951970 /nfs/dbraw/zinc/95/19/70/659951970.db2.gz DXUFAQKFUCNMLG-OAHLLOKOSA-N 0 0 315.394 3.190 10 30 DGEERN C#CC[C@H](OC(=O)Cc1ccc2c(c1)CCC2)c1ccccn1 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/nfs/dbraw/zinc/73/46/01/1199734601.db2.gz KOWWTYWJQNPIMS-CYBMUJFWSA-N 0 0 315.186 3.279 10 30 DGEERN N#CCc1cccc(NC(=O)c2ccc(Br)nc2)c1 ZINC000313454702 1199762139 /nfs/dbraw/zinc/76/21/39/1199762139.db2.gz WUUXJMGUHDZVMS-UHFFFAOYSA-N 0 0 316.158 3.162 10 30 DGEERN C=CCCCCCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000315145433 1199801377 /nfs/dbraw/zinc/80/13/77/1199801377.db2.gz UMADNIFNNZJOIN-UHFFFAOYSA-N 0 0 310.394 3.112 10 30 DGEERN C=CCC[C@H](CO)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000320135989 1199845380 /nfs/dbraw/zinc/84/53/80/1199845380.db2.gz LDTTZYMXXHAOEE-VBROQKIQSA-N 0 0 314.212 3.450 10 30 DGEERN C#CCCCCNC(=O)NCc1nc(-c2ccccc2)cs1 ZINC000119014107 1199999640 /nfs/dbraw/zinc/99/96/40/1199999640.db2.gz CKVZETKVQPFGDC-UHFFFAOYSA-N 0 0 313.426 3.413 10 30 DGEERN C=CCOc1ccc(CNc2ccc3[nH]nnc3c2)cc1OC ZINC000120492254 1200155199 /nfs/dbraw/zinc/15/51/99/1200155199.db2.gz OUYXYGBATGBEJU-UHFFFAOYSA-N 0 0 310.357 3.143 10 30 DGEERN CC[C@H]1CO[C@@H](C)CN1c1cc(Br)ccc1C#N ZINC000123143199 1200275500 /nfs/dbraw/zinc/27/55/00/1200275500.db2.gz JYXWQDWKZNPLQV-GWCFXTLKSA-N 0 0 309.207 3.324 10 30 DGEERN CN(C[C@@H]1CCCCO1)c1cc(Br)ccc1C#N ZINC000123144912 1200276403 /nfs/dbraw/zinc/27/64/03/1200276403.db2.gz CGDJIGDKLOFIMI-ZDUSSCGKSA-N 0 0 309.207 3.326 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@@H]1CCCC[C@H]1O ZINC000123308518 1200277599 /nfs/dbraw/zinc/27/75/99/1200277599.db2.gz DSPMMZINKRDTBE-SMDDNHRTSA-N 0 0 309.207 3.284 10 30 DGEERN N#Cc1ccc(Br)cc1Oc1ccc(C(N)=O)cc1 ZINC000123469210 1200279406 /nfs/dbraw/zinc/27/94/06/1200279406.db2.gz PKEBSLRGZYYXIZ-UHFFFAOYSA-N 0 0 317.142 3.212 10 30 DGEERN C#CCOCCC(=O)Nc1ncc(-c2ccccc2C)s1 ZINC000155022458 1202598506 /nfs/dbraw/zinc/59/85/06/1202598506.db2.gz FHVABVTWLUNGPL-UHFFFAOYSA-N 0 0 300.383 3.097 10 30 DGEERN CCC[C@@](C)(O)CNc1ccc(C#N)c(Br)c1F ZINC000230687340 1202598573 /nfs/dbraw/zinc/59/85/73/1202598573.db2.gz ZJZNRWROIVTETN-CYBMUJFWSA-N 0 0 315.186 3.423 10 30 DGEERN N#Cc1ccc(NC[C@@H]2CCCCO2)c(F)c1Br ZINC000231845409 1202600310 /nfs/dbraw/zinc/60/03/10/1202600310.db2.gz AYMKYZPECLKPHI-JTQLQIEISA-N 0 0 313.170 3.441 10 30 DGEERN N#Cc1c(F)cccc1OCc1cncc(Br)c1 ZINC000158775694 1202604156 /nfs/dbraw/zinc/60/41/56/1202604156.db2.gz YNQIFTQCJAWFRQ-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@@H](O)c1ccco1 ZINC000236544433 1202611901 /nfs/dbraw/zinc/61/19/01/1202611901.db2.gz PSMUKPBZNPOFDN-GFCCVEGCSA-N 0 0 307.147 3.059 10 30 DGEERN C=CCCN(CC(=O)Nc1ccncc1)OCc1ccccc1 ZINC000187381397 1203026366 /nfs/dbraw/zinc/02/63/66/1203026366.db2.gz MOBQZWRWKVVIEV-UHFFFAOYSA-N 0 0 311.385 3.030 10 30 DGEERN CC#CCCCC(=O)Nc1nc(CCCC)[nH]c1C(=O)OCC ZINC000191962969 1203287609 /nfs/dbraw/zinc/28/76/09/1203287609.db2.gz UKEZLNDNMJTIKV-UHFFFAOYSA-N 0 0 319.405 3.061 10 30 DGEERN C=C[C@H](C)ONC(=O)c1cc(Br)ccc1Cl ZINC000400937183 1204340274 /nfs/dbraw/zinc/34/02/74/1204340274.db2.gz OBWUJXVSDKWBQW-ZETCQYMHSA-N 0 0 304.571 3.338 10 30 DGEERN N#CCSc1cccc(C(=O)NOCc2ccc(F)cc2)c1 ZINC000184171088 1204348745 /nfs/dbraw/zinc/34/87/45/1204348745.db2.gz QRNOYFKUNQWKGS-UHFFFAOYSA-N 0 0 316.357 3.303 10 30 DGEERN C=C1CCC(CNC(=O)c2csc(Br)n2)CC1 ZINC000724445078 1084541878 /nfs/dbraw/zinc/54/18/78/1084541878.db2.gz QCPMMIKDUGXBSW-UHFFFAOYSA-N 0 0 315.236 3.382 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(C)cc1 ZINC000588401925 1082143212 /nfs/dbraw/zinc/14/32/12/1082143212.db2.gz LHNJDWAJJXPURD-MLRPBERTSA-N 0 0 312.413 3.414 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1cnc2ccc(C)cn12 ZINC000588409649 1082167243 /nfs/dbraw/zinc/16/72/43/1082167243.db2.gz CRDFYSYXCQUEFL-XQRVVYSFSA-N 0 0 308.337 3.253 10 30 DGEERN COc1ccc(/C=C\C(=O)OCC2(C#N)CCCC2)cc1OC ZINC000588411700 1082174764 /nfs/dbraw/zinc/17/47/64/1082174764.db2.gz MIWZVPZVRHFNDL-VURMDHGXSA-N 0 0 315.369 3.344 10 30 DGEERN Cc1cccnc1/C=C\C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000588456751 1082334871 /nfs/dbraw/zinc/33/48/71/1082334871.db2.gz WATFERBGQKNPCR-LMVHVUTASA-N 0 0 312.394 3.390 10 30 DGEERN COc1ccc(C(=O)/C=C\c2cocn2)cc1Br ZINC000588561409 1082636114 /nfs/dbraw/zinc/63/61/14/1082636114.db2.gz JGJIKNXBHJYCPJ-ARJAWSKDSA-N 0 0 308.131 3.342 10 30 DGEERN Cn1c2ccc(/C=C3\COc4ccccc4C3=O)cc2sc1=O ZINC000588590210 1082824411 /nfs/dbraw/zinc/82/44/11/1082824411.db2.gz KPMUKOBKZWXDJK-XYOKQWHBSA-N 0 0 323.373 3.259 10 30 DGEERN N#CCc1cccc(NC(=O)c2nscc2Br)c1 ZINC000404763429 1094267400 /nfs/dbraw/zinc/26/74/00/1094267400.db2.gz KKTFJMQWYJKFMM-UHFFFAOYSA-N 0 0 322.187 3.224 10 30 DGEERN COc1ccc2c(c1)/C(=C\c1ccc(OC)c(O)c1)C(=O)CC2 ZINC000095579374 185380665 /nfs/dbraw/zinc/38/06/65/185380665.db2.gz WMIPBDHAUXFACY-CXUHLZMHSA-N 0 0 310.349 3.465 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCc2cc(Br)ccc21 ZINC000278423868 214142444 /nfs/dbraw/zinc/14/24/44/214142444.db2.gz RBLQDMXALUSUNL-UHFFFAOYSA-N 0 0 316.198 3.001 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2ccc3nnn(C)c3c2)CCCC1(C)C ZINC000278460065 214168310 /nfs/dbraw/zinc/16/83/10/214168310.db2.gz SRQKAIBRNIKVBD-INIZCTEOSA-N 0 0 312.417 3.175 10 30 DGEERN COc1ccc(/C=C2/C(=O)CCc3c(OC)cccc32)cc1O ZINC000103071907 432002971 /nfs/dbraw/zinc/00/29/71/432002971.db2.gz PPKONVUKJLKSPW-XNTDXEJSSA-N 0 0 310.349 3.465 10 30 DGEERN N#Cc1nc(N2CC=C(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000302722785 230821822 /nfs/dbraw/zinc/82/18/22/230821822.db2.gz MCMLCNNGNYLWTP-UHFFFAOYSA-N 0 0 306.325 3.155 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000278558427 214234968 /nfs/dbraw/zinc/23/49/68/214234968.db2.gz PIINTMHYXQZHKF-ZWNOBZJWSA-N 0 0 304.371 3.323 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(OC)ccc1Br ZINC000078827842 185116524 /nfs/dbraw/zinc/11/65/24/185116524.db2.gz BURISYUWKKKIGZ-UHFFFAOYSA-N 0 0 312.207 3.496 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C)nn1-c1cc(C)ccn1 ZINC000278597805 214264814 /nfs/dbraw/zinc/26/48/14/214264814.db2.gz IDMBQLBZEMVZSS-UHFFFAOYSA-N 0 0 313.405 3.314 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891793 432003418 /nfs/dbraw/zinc/00/34/18/432003418.db2.gz DVGDMGZYMWPMHL-JSGCOSHPSA-N 0 0 306.793 3.283 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(C#N)cc3)c21 ZINC000103129826 432003456 /nfs/dbraw/zinc/00/34/56/432003456.db2.gz ASNLYDCITHVPQB-UHFFFAOYSA-N 0 0 303.365 3.321 10 30 DGEERN CC[C@@H](CC#N)NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000183917171 529445378 /nfs/dbraw/zinc/44/53/78/529445378.db2.gz WRRTUXODVVEEGA-NSHDSACASA-N 0 0 317.776 3.075 10 30 DGEERN CCc1cc(C)c(C(=O)N(CCOC)c2ccc(C#N)cc2)o1 ZINC000160833477 529522614 /nfs/dbraw/zinc/52/26/14/529522614.db2.gz SBOSIWRVNTXEIT-UHFFFAOYSA-N 0 0 312.369 3.315 10 30 DGEERN C=CCN(Cc1nnsc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000063288346 432005309 /nfs/dbraw/zinc/00/53/09/432005309.db2.gz MKIPTCCQXRUKDL-UHFFFAOYSA-N 0 0 324.793 3.288 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccco1 ZINC000062888766 432005253 /nfs/dbraw/zinc/00/52/53/432005253.db2.gz VDCILDHDCMIEEF-UHFFFAOYSA-N 0 0 314.341 3.335 10 30 DGEERN C=CCN(Cc1nc(CCC)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381240 432005515 /nfs/dbraw/zinc/00/55/15/432005515.db2.gz VCCZHINWORHWHF-UHFFFAOYSA-N 0 0 316.361 3.119 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000278210377 214024478 /nfs/dbraw/zinc/02/44/78/214024478.db2.gz GYHYMYZYFQIVTA-GHMZBOCLSA-N 0 0 321.427 3.186 10 30 DGEERN CN1CC[C@@H](CNC(=O)c2cccc(CC#N)c2)c2ccccc21 ZINC000056047838 529793729 /nfs/dbraw/zinc/79/37/29/529793729.db2.gz LMTKFPKHXOMBLP-KRWDZBQOSA-N 0 0 319.408 3.106 10 30 DGEERN C=C[C@H](Cc1nc(C2(OC)CCOCC2)no1)c1ccccc1 ZINC000278119384 213971623 /nfs/dbraw/zinc/97/16/23/213971623.db2.gz FVIFLVMBKCBCNV-CQSZACIVSA-N 0 0 314.385 3.234 10 30 DGEERN CC(C)CCN(CCC#N)C(=O)c1coc(Br)c1 ZINC000103440324 432009826 /nfs/dbraw/zinc/00/98/26/432009826.db2.gz TZWYUUXPXHUXKP-UHFFFAOYSA-N 0 0 313.195 3.444 10 30 DGEERN N#Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109085197 185550336 /nfs/dbraw/zinc/55/03/36/185550336.db2.gz CCOFVMMBAYSWCS-CABCVRRESA-N 0 0 312.319 3.256 10 30 DGEERN CSCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000066394363 432015884 /nfs/dbraw/zinc/01/58/84/432015884.db2.gz BCFDUWDRMHFLNF-JTQLQIEISA-N 0 0 303.214 3.427 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000279708960 215079144 /nfs/dbraw/zinc/07/91/44/215079144.db2.gz KHZYRHPZZIQZIM-GOEBONIOSA-N 0 0 305.418 3.022 10 30 DGEERN CCCCCCCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000130427100 282652557 /nfs/dbraw/zinc/65/25/57/282652557.db2.gz RYUBQXYUWWOUFJ-WBVHZDCISA-N 0 0 320.477 3.349 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000133780130 186011340 /nfs/dbraw/zinc/01/13/40/186011340.db2.gz PNJFGPRAEJZREH-UHFFFAOYSA-N 0 0 307.397 3.205 10 30 DGEERN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000172147825 198047164 /nfs/dbraw/zinc/04/71/64/198047164.db2.gz GVBUQNVLOIOBNI-NSHDSACASA-N 0 0 324.808 3.147 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)C2CCCC2)cc1 ZINC000172209397 198058816 /nfs/dbraw/zinc/05/88/16/198058816.db2.gz UVFBPIBIHAYVQO-CYBMUJFWSA-N 0 0 315.417 3.303 10 30 DGEERN C=C(CSc1nnc(C)n1-c1ccccc1C)C(=O)OCC ZINC000172292311 198071733 /nfs/dbraw/zinc/07/17/33/198071733.db2.gz AZTDMPONSSJNJD-UHFFFAOYSA-N 0 0 317.414 3.096 10 30 DGEERN COc1ccccc1N1CCC(Nc2cccc(C#N)n2)CC1 ZINC000172409381 198092976 /nfs/dbraw/zinc/09/29/76/198092976.db2.gz UCCPSDZZFXFGNO-UHFFFAOYSA-N 0 0 308.385 3.043 10 30 DGEERN Cc1cc(C)c(C)c(OCCC(=O)NC2(C#N)CCCC2)c1 ZINC000107249401 432029472 /nfs/dbraw/zinc/02/94/72/432029472.db2.gz QZXQANYAKBSFFJ-UHFFFAOYSA-N 0 0 300.402 3.333 10 30 DGEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)no1 ZINC000173442729 198216177 /nfs/dbraw/zinc/21/61/77/198216177.db2.gz RBGOZVWLFZQAPD-CQSZACIVSA-N 0 0 310.357 3.042 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173953580 198272188 /nfs/dbraw/zinc/27/21/88/198272188.db2.gz BNNTXLIFQQBLBP-HNNXBMFYSA-N 0 0 313.401 3.032 10 30 DGEERN Cc1cccc(C=NN2C(=S)N=NC2COc2ccccc2)c1 ZINC000002339328 180920391 /nfs/dbraw/zinc/92/03/91/180920391.db2.gz VMTIRGYYTLJDRI-WQRHYEAKSA-N 0 0 324.409 3.336 10 30 DGEERN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000003010706 180976684 /nfs/dbraw/zinc/97/66/84/180976684.db2.gz BJTHJERRJQRMJB-KRWDZBQOSA-N 0 0 315.369 3.201 10 30 DGEERN CN(C(=O)CO/N=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000003314453 181003929 /nfs/dbraw/zinc/00/39/29/181003929.db2.gz KUEIBQSTDLHXMH-WOJGMQOQSA-N 0 0 302.761 3.354 10 30 DGEERN C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000107914550 432041702 /nfs/dbraw/zinc/04/17/02/432041702.db2.gz FLPQDEVAIIRSOG-MRXNPFEDSA-N 0 0 310.397 3.107 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ccnn1C ZINC000163783593 432042189 /nfs/dbraw/zinc/04/21/89/432042189.db2.gz UQLCQLYTHXYMIW-UHFFFAOYSA-N 0 0 323.849 3.282 10 30 DGEERN N#Cc1cc(F)c(C(=O)N[C@H]2CCOc3ccccc32)c(F)c1 ZINC000176182948 283095941 /nfs/dbraw/zinc/09/59/41/283095941.db2.gz GRICFXDUMZNJOU-AWEZNQCLSA-N 0 0 314.291 3.090 10 30 DGEERN Cc1cc(C(=O)Nc2ccccc2C#N)n(-c2ccccc2)n1 ZINC000005058647 181198731 /nfs/dbraw/zinc/19/87/31/181198731.db2.gz VRYGBPGJRCVRPT-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1OC(C)(C)C ZINC000077861263 191786961 /nfs/dbraw/zinc/78/69/61/191786961.db2.gz ZFDPCMUSFRVENX-UHFFFAOYSA-N 0 0 318.417 3.227 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1Nc1cccc(OC)c1 ZINC000179241468 432051862 /nfs/dbraw/zinc/05/18/62/432051862.db2.gz GVIRCQUUUJSSBK-ZDUSSCGKSA-N 0 0 309.369 3.471 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(C)sc1C ZINC000179264334 432052523 /nfs/dbraw/zinc/05/25/23/432052523.db2.gz DDYXDUDMBLNNIS-UHFFFAOYSA-N 0 0 311.410 3.460 10 30 DGEERN C=C[C@@H](CC(=O)Nc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000179287344 432052865 /nfs/dbraw/zinc/05/28/65/432052865.db2.gz LSKAIHWTQYGMMG-ZDUSSCGKSA-N 0 0 310.353 3.167 10 30 DGEERN O=[N+]([O-])c1ccc(N=NC=C(Cl)CCl)c([N+](=O)[O-])c1 ZINC000005511836 181251980 /nfs/dbraw/zinc/25/19/80/181251980.db2.gz CKNZCEJEJGMQEO-ZCGKFZJYSA-N 0 0 305.077 3.220 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179306653 432053181 /nfs/dbraw/zinc/05/31/81/432053181.db2.gz BAMMHSZDMVCMHW-OAHLLOKOSA-N 0 0 308.422 3.422 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1nc(C(C)(C)C)cs1 ZINC000081158020 192230902 /nfs/dbraw/zinc/23/09/02/192230902.db2.gz AMVUKURZMBXCML-JTQLQIEISA-N 0 0 316.430 3.142 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCc1cccs1 ZINC000081298054 192246433 /nfs/dbraw/zinc/24/64/33/192246433.db2.gz BTRROXSHQPQORP-CYBMUJFWSA-N 0 0 314.410 3.088 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132918933 432055790 /nfs/dbraw/zinc/05/57/90/432055790.db2.gz NKQYEEBUTBDBQK-MRXNPFEDSA-N 0 0 322.412 3.140 10 30 DGEERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)o1 ZINC000165800225 432056971 /nfs/dbraw/zinc/05/69/71/432056971.db2.gz PBMVWJKOPIEBRE-MRXNPFEDSA-N 0 0 311.341 3.065 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2C)C12CCC2 ZINC000133110116 432058148 /nfs/dbraw/zinc/05/81/48/432058148.db2.gz FUGYNMBZHSMQBP-SJORKVTESA-N 0 0 312.413 3.286 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(C#N)cn1C ZINC000081548581 192288630 /nfs/dbraw/zinc/28/86/30/192288630.db2.gz FWHNKNVPJFONRE-KEYYUXOJSA-N 0 0 307.397 3.303 10 30 DGEERN N#Cc1ccnc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000285990094 283220243 /nfs/dbraw/zinc/22/02/43/283220243.db2.gz CRBKAHKJBHCGFT-SCTDSRPQSA-N 0 0 317.392 3.362 10 30 DGEERN N#Cc1cnc2c(Br)cc([N+](=O)[O-])cc2c1Cl ZINC000095937958 283238350 /nfs/dbraw/zinc/23/83/50/283238350.db2.gz YNOFDLZGNVSUFM-UHFFFAOYSA-N 0 0 312.510 3.431 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168771290 432069577 /nfs/dbraw/zinc/06/95/77/432069577.db2.gz BYCODZOKAQJFEJ-OCCSQVGLSA-N 0 0 315.335 3.257 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000179198557 198997709 /nfs/dbraw/zinc/99/77/09/198997709.db2.gz URBLEEFEICWNML-LBPRGKRZSA-N 0 0 315.335 3.451 10 30 DGEERN CCN(Cc1c(C)nn(C)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463831 199039920 /nfs/dbraw/zinc/03/99/20/199039920.db2.gz UBQXWPNXMSOQTR-CQSZACIVSA-N 0 0 312.417 3.192 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)s1 ZINC000180810370 199212115 /nfs/dbraw/zinc/21/21/15/199212115.db2.gz DEZSCQJOMKPBAI-BZNIZROVSA-N 0 0 320.364 3.206 10 30 DGEERN N#Cc1c(N)cccc1[S@](=O)c1cccc(Br)c1 ZINC000005933063 181298084 /nfs/dbraw/zinc/29/80/84/181298084.db2.gz JNNOSSLVLGASPM-SFHVURJKSA-N 0 0 321.199 3.070 10 30 in-vivo DGEERN CC(C)C[C@H](CO)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185806283 199889554 /nfs/dbraw/zinc/88/95/54/199889554.db2.gz VBVPVPYZVLXBLS-CYBMUJFWSA-N 0 0 309.797 3.082 10 30 DGEERN Cn1cc([C@@H]2CCCN2Cc2ccc(Cl)cc2C#N)cn1 ZINC000186946841 200036954 /nfs/dbraw/zinc/03/69/54/200036954.db2.gz AMSLVXNVXCKDIV-INIZCTEOSA-N 0 0 300.793 3.282 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000189145607 200355960 /nfs/dbraw/zinc/35/59/60/200355960.db2.gz LCKIVNNRSUPUQK-ROUUACIJSA-N 0 0 324.428 3.192 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccnc1-c1csc(C)c1 ZINC000189207490 200364014 /nfs/dbraw/zinc/36/40/14/200364014.db2.gz LBZLUAXHNDQEHG-ZDUSSCGKSA-N 0 0 317.414 3.177 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189828564 432094046 /nfs/dbraw/zinc/09/40/46/432094046.db2.gz LZEOWDQBSDDBPG-HNNXBMFYSA-N 0 0 315.413 3.063 10 30 DGEERN Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C#N)ccn3)c12 ZINC000435999946 238381283 /nfs/dbraw/zinc/38/12/83/238381283.db2.gz AIYXMJGNWPVNLQ-UHFFFAOYSA-N 0 0 321.340 3.174 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)Nc1cc(-n2cccn2)ccc1C ZINC000189836681 432095806 /nfs/dbraw/zinc/09/58/06/432095806.db2.gz YUVWJZKDCOWCDU-INIZCTEOSA-N 0 0 324.428 3.182 10 30 DGEERN C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccnc(C#N)c1 ZINC000193843348 201133053 /nfs/dbraw/zinc/13/30/53/201133053.db2.gz NYCMVZBZTDWWKL-LJQANCHMSA-N 0 0 305.381 3.191 10 30 DGEERN C=C=CC(=O)[C@H](c1cccs1)[C@H](O)c1ccc(OC)cc1 ZINC000090755568 192927989 /nfs/dbraw/zinc/92/79/89/192927989.db2.gz ZRMDTPSKASTGRJ-IAGOWNOFSA-N 0 0 300.379 3.166 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccccc2OC)c1C ZINC000194794589 201289659 /nfs/dbraw/zinc/28/96/59/201289659.db2.gz HTDTYGQWELGGCB-UHFFFAOYSA-N 0 0 313.401 3.228 10 30 DGEERN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccnc(C#N)c1 ZINC000195026915 201328929 /nfs/dbraw/zinc/32/89/29/201328929.db2.gz CCFYPIQESJMOLU-UHFFFAOYSA-N 0 0 306.369 3.114 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1ccn(C)c(=O)c1 ZINC000189887786 432099525 /nfs/dbraw/zinc/09/95/25/432099525.db2.gz LJESTTZGTBCGTP-UHFFFAOYSA-N 0 0 310.397 3.490 10 30 DGEERN CS[C@@H]1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247254770 202658939 /nfs/dbraw/zinc/65/89/39/202658939.db2.gz XYFBCKBGMISNGA-AEGPPILISA-N 0 0 318.442 3.116 10 30 DGEERN CCCn1c(C)nnc1CSCc1ccc(OC)c(C#N)c1 ZINC000091037252 192974080 /nfs/dbraw/zinc/97/40/80/192974080.db2.gz WVVBRLPFKUFJNA-UHFFFAOYSA-N 0 0 316.430 3.310 10 30 DGEERN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449957777 240497262 /nfs/dbraw/zinc/49/72/62/240497262.db2.gz DTHUUFLWVCJKNX-YVEFUNNKSA-N 0 0 311.360 3.259 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000450106489 240562889 /nfs/dbraw/zinc/56/28/89/240562889.db2.gz TUOVFLZRDQKDLG-UHFFFAOYSA-N 0 0 307.397 3.040 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000450509429 240745461 /nfs/dbraw/zinc/74/54/61/240745461.db2.gz KLDXTJFRSSBOAF-UHFFFAOYSA-N 0 0 315.348 3.465 10 30 DGEERN COCCCOc1cccc(CNc2ccc(C)c(C#N)n2)c1 ZINC000189967648 432107289 /nfs/dbraw/zinc/10/72/89/432107289.db2.gz DKWNSDQGCPQXBK-UHFFFAOYSA-N 0 0 311.385 3.289 10 30 DGEERN C=CCC1(CNS(=O)(=O)C[C@@H]2CCCC2(F)F)CCCC1 ZINC000451960130 241286665 /nfs/dbraw/zinc/28/66/65/241286665.db2.gz OVLVJSLLMSVZJA-ZDUSSCGKSA-N 0 0 321.433 3.478 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000452781178 241515624 /nfs/dbraw/zinc/51/56/24/241515624.db2.gz ZPEMFNYEWGQWOU-SWLSCSKDSA-N 0 0 300.402 3.223 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453426625 241782570 /nfs/dbraw/zinc/78/25/70/241782570.db2.gz SNSIXYGNFUYRAJ-GOSISDBHSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@@]3(CCOC3)C2)nnc1C(C)(C)C ZINC000453454559 241791301 /nfs/dbraw/zinc/79/13/01/241791301.db2.gz QJCNUDSCFSSHRX-GOSISDBHSA-N 0 0 318.465 3.159 10 30 DGEERN C=C(C)Cn1c(N2CCC(=C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453461254 241794975 /nfs/dbraw/zinc/79/49/75/241794975.db2.gz GBYCDSMYWYJQNB-KRWDZBQOSA-N 0 0 302.422 3.036 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NCCCC(C)(F)F ZINC000453783526 241852400 /nfs/dbraw/zinc/85/24/00/241852400.db2.gz JYYMZGQBWNLZEH-UHFFFAOYSA-N 0 0 324.371 3.295 10 30 DGEERN C=CCC1(CNC(=O)N[C@H](C)Cc2cc(C)n[nH]2)CCCC1 ZINC000454715100 242016584 /nfs/dbraw/zinc/01/65/84/242016584.db2.gz RXVHLWZVGFHIMN-CYBMUJFWSA-N 0 0 304.438 3.085 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000455313866 242167097 /nfs/dbraw/zinc/16/70/97/242167097.db2.gz QZYGDGJNSKDXML-AWEZNQCLSA-N 0 0 302.374 3.228 10 30 DGEERN COc1ccc(CSCC(=O)N2CCCC[C@@H]2C)cc1C#N ZINC000135344681 432113423 /nfs/dbraw/zinc/11/34/23/432113423.db2.gz NTQYERFRTCWUBL-ZDUSSCGKSA-N 0 0 318.442 3.201 10 30 DGEERN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1C ZINC000089918680 283974220 /nfs/dbraw/zinc/97/42/20/283974220.db2.gz TTYFQEHEDDTTMR-CQSZACIVSA-N 0 0 322.364 3.475 10 30 DGEERN C=CCC1(NC(=O)c2ccnn2CC(F)(F)F)CCCCC1 ZINC000456368130 242432271 /nfs/dbraw/zinc/43/22/71/242432271.db2.gz OUXBVHKRSNVMAM-UHFFFAOYSA-N 0 0 315.339 3.454 10 30 DGEERN C=CCOc1ccc(C(=O)NCc2cnc(CCC)o2)cc1 ZINC000456502510 242473906 /nfs/dbraw/zinc/47/39/06/242473906.db2.gz MJIHWVRTNACIOF-UHFFFAOYSA-N 0 0 300.358 3.122 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000457944160 242917001 /nfs/dbraw/zinc/91/70/01/242917001.db2.gz KRCMVIRLWPXFPP-UONOGXRCSA-N 0 0 310.463 3.462 10 30 DGEERN C=C(CNC(=O)NCCCC1CCOCC1)c1ccccc1 ZINC000458762405 243150192 /nfs/dbraw/zinc/15/01/92/243150192.db2.gz POOKGUGBBGCLLO-UHFFFAOYSA-N 0 0 302.418 3.206 10 30 DGEERN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)c2ccccc21 ZINC000120976322 284062259 /nfs/dbraw/zinc/06/22/59/284062259.db2.gz QYZJLWFOOXIRDK-QGZVFWFLSA-N 0 0 306.365 3.225 10 30 DGEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(CC1CC1)CC1CC1 ZINC000460792313 243565859 /nfs/dbraw/zinc/56/58/59/243565859.db2.gz IQFLLQGNMXUSRK-UHFFFAOYSA-N 0 0 311.433 3.476 10 30 DGEERN CC#CCCCC(=O)N(CC)[C@@H](COC)Cc1ccccc1 ZINC000466422473 243917725 /nfs/dbraw/zinc/91/77/25/243917725.db2.gz UIGMSYLVJXVPLE-GOSISDBHSA-N 0 0 301.430 3.286 10 30 DGEERN C=C1OC(=O)O[C@]1(C)c1ccc([C@@]2(C)OC(=O)OC2=C)cc1 ZINC000257467317 203067995 /nfs/dbraw/zinc/06/79/95/203067995.db2.gz XAQNDERCTICFDO-HOTGVXAUSA-N 0 0 302.282 3.478 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1csc(C)n1)OCC ZINC000275083846 212112102 /nfs/dbraw/zinc/11/21/02/212112102.db2.gz OQFPZINHAQIBCW-HUUCEWRRSA-N 0 0 308.447 3.486 10 30 DGEERN C[C@H](Sc1nnnn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000118174272 284127066 /nfs/dbraw/zinc/12/70/66/284127066.db2.gz QLBJLRJTOVREFF-ZDUSSCGKSA-N 0 0 321.409 3.446 10 30 DGEERN CC(C)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000474415770 244397477 /nfs/dbraw/zinc/39/74/77/244397477.db2.gz SJCGNERCAJQUOT-RDTXWAMCSA-N 0 0 322.449 3.143 10 30 DGEERN C=CC[C@H](CO)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000275007226 212069591 /nfs/dbraw/zinc/06/95/91/212069591.db2.gz FGTURNOHIIBOOD-GFCCVEGCSA-N 0 0 309.822 3.131 10 30 DGEERN Cc1cccc([C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)n1 ZINC000093453325 193254058 /nfs/dbraw/zinc/25/40/58/193254058.db2.gz IUEBKYXEUZLZMX-SFHVURJKSA-N 0 0 317.396 3.247 10 30 DGEERN C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606363 193273343 /nfs/dbraw/zinc/27/33/43/193273343.db2.gz VKVOSADLXJOFOW-SJKOYZFVSA-N 0 0 300.333 3.252 10 30 DGEERN CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(C#N)o1 ZINC000093844781 193317081 /nfs/dbraw/zinc/31/70/81/193317081.db2.gz YBEUNYPUKGEXGJ-KRWDZBQOSA-N 0 0 312.369 3.278 10 30 DGEERN Cc1cc(Cl)ccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000122941802 284229196 /nfs/dbraw/zinc/22/91/96/284229196.db2.gz RPKIEHSQNDRYDD-UHFFFAOYSA-N 0 0 314.772 3.329 10 30 DGEERN Cc1cccc(OCCCNC(=O)c2sccc2C#N)c1C ZINC000487721718 245098987 /nfs/dbraw/zinc/09/89/87/245098987.db2.gz PQWWTAXDUKOTSC-UHFFFAOYSA-N 0 0 314.410 3.436 10 30 DGEERN COC(=O)[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C1CC1 ZINC000488814728 245236436 /nfs/dbraw/zinc/23/64/36/245236436.db2.gz KDJLJPPUPWMNGS-SNVBAGLBSA-N 0 0 316.304 3.016 10 30 DGEERN O=C1NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H](c2ccco2)N1 ZINC000008518553 181561672 /nfs/dbraw/zinc/56/16/72/181561672.db2.gz HDROVCPGALLLTL-SJKOYZFVSA-N 0 0 308.337 3.034 10 30 DGEERN CCCCc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)n[nH]1 ZINC000126660176 284313056 /nfs/dbraw/zinc/31/30/56/284313056.db2.gz OMFLOOULIZLXTK-GFCCVEGCSA-N 0 0 312.373 3.030 10 30 DGEERN C=CCCCN(C)C(=O)Cc1ccc(Br)s1 ZINC000135110147 335019345 /nfs/dbraw/zinc/01/93/45/335019345.db2.gz MABVBEWIERQCCZ-UHFFFAOYSA-N 0 0 302.237 3.478 10 30 DGEERN C=C(Cl)CNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000266464238 205365223 /nfs/dbraw/zinc/36/52/23/205365223.db2.gz FBNXBYNKGDNKTH-BXUZGUMPSA-N 0 0 312.772 3.050 10 30 DGEERN N/C(=N\O)c1cccc(OCc2cccc(Br)c2)c1 ZINC000019509187 182126675 /nfs/dbraw/zinc/12/66/75/182126675.db2.gz JZWVCMGQYWUZJM-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN N/C(=N\O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019510412 182126920 /nfs/dbraw/zinc/12/69/20/182126920.db2.gz ZQXZSAMFSTYPBO-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C[C@H](Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000019951413 182169627 /nfs/dbraw/zinc/16/96/27/182169627.db2.gz ICHFAYVGWFTWBK-LBPRGKRZSA-N 0 0 300.383 3.135 10 30 DGEERN N#CCCNC(=O)CNc1cc(Cl)c(Cl)cc1Cl ZINC000019986857 182173879 /nfs/dbraw/zinc/17/38/79/182173879.db2.gz DIIONRCAKMQOGR-UHFFFAOYSA-N 0 0 306.580 3.089 10 30 DGEERN Cc1cccc(N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 ZINC000160132730 197388278 /nfs/dbraw/zinc/38/82/78/197388278.db2.gz DNYGLZAMGKGREZ-UHFFFAOYSA-N 0 0 319.408 3.138 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000181640495 432139114 /nfs/dbraw/zinc/13/91/14/432139114.db2.gz CUQNUEQUZCOFOF-HZPDHXFCSA-N 0 0 321.852 3.303 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000135911552 432139119 /nfs/dbraw/zinc/13/91/19/432139119.db2.gz QOLXFNFFVFJQCZ-CYBMUJFWSA-N 0 0 304.438 3.391 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(C)cc1OCCOC ZINC000267986479 206379673 /nfs/dbraw/zinc/37/96/73/206379673.db2.gz YIWYMEANKCRENF-UHFFFAOYSA-N 0 0 320.433 3.128 10 30 DGEERN COC(=O)c1cc(NCC#Cc2ccccc2)c(F)cc1F ZINC000190334138 432145144 /nfs/dbraw/zinc/14/51/44/432145144.db2.gz XJJQMWYVZHNWOS-UHFFFAOYSA-N 0 0 301.292 3.215 10 30 DGEERN COc1cc(Br)c(C(=O)[C@@H](C)CC#N)cc1OC ZINC000037755049 182924188 /nfs/dbraw/zinc/92/41/88/182924188.db2.gz IXTHAWWHAYHKMD-QMMMGPOBSA-N 0 0 312.163 3.199 10 30 DGEERN O/N=C/c1ccc(OCc2ccccc2)c(Br)n1 ZINC000039961331 183025424 /nfs/dbraw/zinc/02/54/24/183025424.db2.gz PBYXJLWMHLTXTB-OVCLIPMQSA-N 0 0 307.147 3.231 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000274317067 211506836 /nfs/dbraw/zinc/50/68/36/211506836.db2.gz ZRGDKYHDJYAVBZ-QWHCGFSZSA-N 0 0 321.417 3.492 10 30 DGEERN C=CCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21 ZINC000040278180 183050631 /nfs/dbraw/zinc/05/06/31/183050631.db2.gz YSGUUEGTSCPZHL-UHFFFAOYSA-N 0 0 321.380 3.161 10 30 DGEERN OCC1CCN(c2ccccc2NCC#Cc2ccccc2)CC1 ZINC000190389756 432149784 /nfs/dbraw/zinc/14/97/84/432149784.db2.gz ROJQURLWISYCKK-UHFFFAOYSA-N 0 0 320.436 3.359 10 30 DGEERN COc1ccc([C@@H](C)Nc2nnc(C)c(C)c2C#N)cc1F ZINC000043533428 183370477 /nfs/dbraw/zinc/37/04/77/183370477.db2.gz OSIZYRXSJAXREC-LLVKDONJSA-N 0 0 300.337 3.286 10 30 DGEERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000159562172 197361504 /nfs/dbraw/zinc/36/15/04/197361504.db2.gz YHGQQBLVTIWVPW-OCCSQVGLSA-N 0 0 306.431 3.426 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000106505187 194219870 /nfs/dbraw/zinc/21/98/70/194219870.db2.gz BGUMZMMYXXCWHE-INIZCTEOSA-N 0 0 301.390 3.371 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 ZINC000273448454 210784643 /nfs/dbraw/zinc/78/46/43/210784643.db2.gz IGHYGPXLKPYBBF-UWVGGRQHSA-N 0 0 302.827 3.089 10 30 DGEERN CCc1nnc(NCc2cnc(Cl)s2)c(C#N)c1CC ZINC000285688427 218584451 /nfs/dbraw/zinc/58/44/51/218584451.db2.gz QMJHHPLVYJJINO-UHFFFAOYSA-N 0 0 307.810 3.195 10 30 DGEERN CN(Cc1cccc(Br)c1)Cc1cccnc1C#N ZINC000061664380 184181773 /nfs/dbraw/zinc/18/17/73/184181773.db2.gz SLAHDOXRSOPFQG-UHFFFAOYSA-N 0 0 316.202 3.348 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)c1 ZINC000062555151 184242483 /nfs/dbraw/zinc/24/24/83/184242483.db2.gz BAZXFXHSFSPXQV-QGZVFWFLSA-N 0 0 320.392 3.489 10 30 DGEERN O=C1Nc2ccccc2/C1=N/c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006864661 284929657 /nfs/dbraw/zinc/92/96/57/284929657.db2.gz AJKXQNOBCCVVFS-UHFFFAOYSA-N 0 0 301.689 3.321 10 30 DGEERN C=CCOc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066055099 184386075 /nfs/dbraw/zinc/38/60/75/184386075.db2.gz VHMRTROJRIAYFT-UHFFFAOYSA-N 0 0 318.417 3.309 10 30 DGEERN COc1cc(OC(=O)C[C@H]2CCOc3ccccc32)ccc1C#N ZINC000195168268 207648106 /nfs/dbraw/zinc/64/81/06/207648106.db2.gz VHSJPJZKRXIPAY-CYBMUJFWSA-N 0 0 323.348 3.429 10 30 DGEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCc1ccsc1 ZINC000177808305 252724188 /nfs/dbraw/zinc/72/41/88/252724188.db2.gz BGJSKSQADZFMRE-UHFFFAOYSA-N 0 0 314.410 3.136 10 30 DGEERN Cn1ncc(C(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)c1C#N ZINC000407975880 207721059 /nfs/dbraw/zinc/72/10/59/207721059.db2.gz RMDXTXVKPMDIPG-MRXNPFEDSA-N 0 0 322.412 3.125 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCO[C@@H](c2ccsc2)C1)OCC ZINC000270053117 208108395 /nfs/dbraw/zinc/10/83/95/208108395.db2.gz COTJAYALQSMLPJ-HUUCEWRRSA-N 0 0 309.431 3.019 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000270318253 208389304 /nfs/dbraw/zinc/38/93/04/208389304.db2.gz FSQWMTHNCVSTRE-ZSEKCTLFSA-N 0 0 308.447 3.093 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289210952 220795789 /nfs/dbraw/zinc/79/57/89/220795789.db2.gz YIYANWAHXYHWFE-UHFFFAOYSA-N 0 0 320.348 3.139 10 30 DGEERN C#CCOc1cccc(NC(=O)CCCC[C@H](C)C(C)=O)c1 ZINC000151599845 196700681 /nfs/dbraw/zinc/70/06/81/196700681.db2.gz NPSBMAHDKFUEQK-AWEZNQCLSA-N 0 0 301.386 3.423 10 30 DGEERN CCOC(=O)C(C)=NNc1ccc(Br)cc1CC ZINC000242750750 257259395 /nfs/dbraw/zinc/25/93/95/257259395.db2.gz ZZDAIKANEXJABP-UHFFFAOYSA-N 0 0 313.195 3.362 10 30 DGEERN N#CC1(NC(=O)Cc2csc(-c3cccs3)n2)CCCC1 ZINC000122035293 195393070 /nfs/dbraw/zinc/39/30/70/195393070.db2.gz ZHJUDUOGKZFUKC-UHFFFAOYSA-N 0 0 317.439 3.367 10 30 DGEERN COc1ccc(C#N)cc1NCc1noc(-c2ccccc2)n1 ZINC000444422349 533274094 /nfs/dbraw/zinc/27/40/94/533274094.db2.gz YIAOWOFBMVFMBN-UHFFFAOYSA-N 0 0 306.325 3.229 10 30 DGEERN COC(=O)[C@H](N[C@H]1CCCc2ccccc21)c1cccc(C#N)c1 ZINC000176708059 533356052 /nfs/dbraw/zinc/35/60/52/533356052.db2.gz ZQKMFJPOSLYIHB-RBUKOAKNSA-N 0 0 320.392 3.440 10 30 DGEERN C=CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC[C@H]21 ZINC000584807691 400106345 /nfs/dbraw/zinc/10/63/45/400106345.db2.gz LAGHJXAOJAMQOB-GDBMZVCRSA-N 0 0 312.392 3.183 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000581437439 400079397 /nfs/dbraw/zinc/07/93/97/400079397.db2.gz LZXGODUVAVHRBC-AWEZNQCLSA-N 0 0 308.447 3.178 10 30 DGEERN Cc1noc([C@@H]2CC[C@H](CNc3ccc(Cl)cc3C#N)O2)n1 ZINC000286570951 400081312 /nfs/dbraw/zinc/08/13/12/400081312.db2.gz GCKCICOJYDFUCX-OCCSQVGLSA-N 0 0 318.764 3.235 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000581668393 400082000 /nfs/dbraw/zinc/08/20/00/400082000.db2.gz HOUMVXURPHAEJQ-QLFBSQMISA-N 0 0 309.450 3.415 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000581832496 400083238 /nfs/dbraw/zinc/08/32/38/400083238.db2.gz KCFRPDAUOWKOME-GOSISDBHSA-N 0 0 316.445 3.425 10 30 DGEERN Cn1ccnc1C[C@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000587987827 400177434 /nfs/dbraw/zinc/17/74/34/400177434.db2.gz FRJXNGPAUBGRIZ-INIZCTEOSA-N 0 0 303.369 3.083 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)CCc1ccnn1C ZINC000328632153 400183952 /nfs/dbraw/zinc/18/39/52/400183952.db2.gz RQUMKWVWMMUKBI-GFCCVEGCSA-N 0 0 318.446 3.194 10 30 DGEERN N#Cc1cc(C(F)(F)F)ccc1N1C(=O)c2ccccc2C1=O ZINC000307202414 400128557 /nfs/dbraw/zinc/12/85/57/400128557.db2.gz DVAMKBKLPGOWJF-UHFFFAOYSA-N 0 0 316.238 3.378 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(C)C ZINC000608872178 400129727 /nfs/dbraw/zinc/12/97/27/400129727.db2.gz NJEGFXXDWVVJEH-MRXNPFEDSA-N 0 0 302.418 3.466 10 30 DGEERN Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c(C)[nH]1 ZINC000609066739 400137370 /nfs/dbraw/zinc/13/73/70/400137370.db2.gz RQKHYFZNLUFHNN-UHFFFAOYSA-N 0 0 305.284 3.357 10 30 DGEERN C=C[C@@H](C(=O)OC)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000586774008 400153429 /nfs/dbraw/zinc/15/34/29/400153429.db2.gz LJNXFTAAQWIUNF-HOTGVXAUSA-N 0 0 309.356 3.276 10 30 DGEERN C=C[C@H](C(=O)OC)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000586774007 400153470 /nfs/dbraw/zinc/15/34/70/400153470.db2.gz LJNXFTAAQWIUNF-CVEARBPZSA-N 0 0 309.356 3.276 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC000609253841 400156052 /nfs/dbraw/zinc/15/60/52/400156052.db2.gz NAVZUECKXJIWLZ-QGZVFWFLSA-N 0 0 324.359 3.139 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC000616483568 400156900 /nfs/dbraw/zinc/15/69/00/400156900.db2.gz GGOWQUHASWEHKQ-ZWKOTPCHSA-N 0 0 320.477 3.323 10 30 DGEERN C=CCC1(c2nc(-c3cc(C)nc(OC)c3)no2)CCOCC1 ZINC000351300613 400246255 /nfs/dbraw/zinc/24/62/55/400246255.db2.gz UXPPZVYTBGKHQB-UHFFFAOYSA-N 0 0 315.373 3.073 10 30 DGEERN C=CCC1(c2nc(-c3ncsc3Cl)no2)CCOCC1 ZINC000351312693 400246418 /nfs/dbraw/zinc/24/64/18/400246418.db2.gz QACIMRLBNJGPBO-UHFFFAOYSA-N 0 0 311.794 3.471 10 30 DGEERN COC[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610355757 400248325 /nfs/dbraw/zinc/24/83/25/400248325.db2.gz YQDRVLAQEHDEGX-KBXCAEBGSA-N 0 0 323.396 3.306 10 30 DGEERN CC(C)(C)OC(=O)N1CCCOC[C@H]1c1ccccc1C#N ZINC000616648648 400192632 /nfs/dbraw/zinc/19/26/32/400192632.db2.gz UCIZSKZSSRZTTQ-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN C[C@@](CO)(Nc1cc(C#N)c2cc(Cl)ccc2n1)C1CC1 ZINC000092684438 400194613 /nfs/dbraw/zinc/19/46/13/400194613.db2.gz BNWYWEAWVLQGEL-INIZCTEOSA-N 0 0 301.777 3.333 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)C3(C#N)CCC3)s2)cs1 ZINC000609853591 400195358 /nfs/dbraw/zinc/19/53/58/400195358.db2.gz BBEIOPUPFUYMMP-UHFFFAOYSA-N 0 0 317.439 3.490 10 30 DGEERN CS(=O)(=O)N1c2ccccc2CC[C@@H]1c1ccccc1C#N ZINC000616668166 400196728 /nfs/dbraw/zinc/19/67/28/400196728.db2.gz HTUJTPXWGBIFJQ-QGZVFWFLSA-N 0 0 312.394 3.012 10 30 DGEERN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616663053 400197084 /nfs/dbraw/zinc/19/70/84/400197084.db2.gz PVTDDIAQMAKNFT-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000610528790 400272750 /nfs/dbraw/zinc/27/27/50/400272750.db2.gz UKFWHZOHTSNBBQ-UONOGXRCSA-N 0 0 308.385 3.117 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)OCCCC ZINC000068738968 400283173 /nfs/dbraw/zinc/28/31/73/400283173.db2.gz AERZYACKRGPMJU-CQSZACIVSA-N 0 0 320.389 3.315 10 30 DGEERN N#Cc1cc(CNc2ccc(Br)cc2F)ccn1 ZINC000068751366 400284003 /nfs/dbraw/zinc/28/40/03/400284003.db2.gz YEDYQCNUVNZDPA-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN Cc1ccccc1CC1CN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000610640209 400284559 /nfs/dbraw/zinc/28/45/59/400284559.db2.gz BVQIHAXWBPHZRM-UHFFFAOYSA-N 0 0 319.408 3.251 10 30 DGEERN N#Cc1ccc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc1 ZINC000068769042 400285379 /nfs/dbraw/zinc/28/53/79/400285379.db2.gz XVUYSWHKJQFCJO-HNNXBMFYSA-N 0 0 321.359 3.045 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000617035098 400286845 /nfs/dbraw/zinc/28/68/45/400286845.db2.gz HMVBKECEMSZAMK-ZMSDIMECSA-N 0 0 314.429 3.056 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1OC ZINC000617035588 400286850 /nfs/dbraw/zinc/28/68/50/400286850.db2.gz PCBWZNUUIDUIMO-LSDHHAIUSA-N 0 0 303.402 3.325 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1cccs1 ZINC000617034499 400286864 /nfs/dbraw/zinc/28/68/64/400286864.db2.gz AASSFWADUUXYPB-KBPBESRZSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(N)=O)cc1 ZINC000617036687 400287879 /nfs/dbraw/zinc/28/78/79/400287879.db2.gz DAWYMADAVXUNQA-DOMZBBRYSA-N 0 0 301.390 3.042 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000617035826 400288053 /nfs/dbraw/zinc/28/80/53/400288053.db2.gz SXSUDDHHQCADBE-HZPDHXFCSA-N 0 0 317.429 3.497 10 30 DGEERN CC(C)[C@@H](C#N)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000610675662 400289053 /nfs/dbraw/zinc/28/90/53/400289053.db2.gz XJUPNOCVOQQKGG-CQSZACIVSA-N 0 0 320.506 3.106 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc2nccn12 ZINC000617039264 400289153 /nfs/dbraw/zinc/28/91/53/400289153.db2.gz FGTDEZPAZIEKNJ-OCCSQVGLSA-N 0 0 303.431 3.189 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000617038028 400289191 /nfs/dbraw/zinc/28/91/91/400289191.db2.gz UIKDWNXVESWRQA-HIFRSBDPSA-N 0 0 310.397 3.393 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617039344 400289314 /nfs/dbraw/zinc/28/93/14/400289314.db2.gz GGIPDQDLAYHLHI-OCCSQVGLSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)cc1C ZINC000617040567 400290020 /nfs/dbraw/zinc/29/00/20/400290020.db2.gz WATKTWZCTACUKE-MAUKXSAKSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000617041485 400290139 /nfs/dbraw/zinc/29/01/39/400290139.db2.gz FDXWEIOFGINFGJ-UPJWGTAASA-N 0 0 306.372 3.120 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000617042067 400291185 /nfs/dbraw/zinc/29/11/85/400291185.db2.gz MSLCNLXULMDDNH-CZUORRHYSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC000617042422 400291288 /nfs/dbraw/zinc/29/12/88/400291288.db2.gz QYWROXVJQQBQQM-VYDXJSESSA-N 0 0 301.434 3.005 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccccn1 ZINC000617042914 400291586 /nfs/dbraw/zinc/29/15/86/400291586.db2.gz XCUZXZVMJCTJPB-LSDHHAIUSA-N 0 0 300.402 3.296 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1N ZINC000617044671 400292314 /nfs/dbraw/zinc/29/23/14/400292314.db2.gz QOSILIXLAFYBRP-YOEHRIQHSA-N 0 0 324.428 3.319 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C[C@@H](CNC(C)=O)CC(C)C ZINC000617044546 400292374 /nfs/dbraw/zinc/29/23/74/400292374.db2.gz PDCWRYGCTQHLFQ-OKZBNKHCSA-N 0 0 322.493 3.426 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](O)Cc1ccccc1 ZINC000617044609 400292517 /nfs/dbraw/zinc/29/25/17/400292517.db2.gz PXLCQECDQCNUED-KURKYZTESA-N 0 0 301.430 3.231 10 30 DGEERN CC(C)(C)OC(=O)N1CC(N[C@H](C#N)c2ccccc2Cl)C1 ZINC000409438185 400301687 /nfs/dbraw/zinc/30/16/87/400301687.db2.gz CIKNVNXFLPHPCJ-CQSZACIVSA-N 0 0 321.808 3.114 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000610790352 400306713 /nfs/dbraw/zinc/30/67/13/400306713.db2.gz DRVSXBGGCVHUFE-DZGCQCFKSA-N 0 0 322.355 3.266 10 30 DGEERN C[C@H](Nc1ccc(C#N)nc1)C1CCN(CC(F)(F)F)CC1 ZINC000589596458 400307054 /nfs/dbraw/zinc/30/70/54/400307054.db2.gz WCKWSTHTRPVOHJ-NSHDSACASA-N 0 0 312.339 3.028 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601546587 400307079 /nfs/dbraw/zinc/30/70/79/400307079.db2.gz NSCJDEVDSLOIFI-CQSZACIVSA-N 0 0 302.374 3.487 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1nnc(CCC(C)C)s1)OCC ZINC000617095470 400307728 /nfs/dbraw/zinc/30/77/28/400307728.db2.gz QEBOTHLLHOCVFQ-GFCCVEGCSA-N 0 0 311.451 3.437 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610849883 400313469 /nfs/dbraw/zinc/31/34/69/400313469.db2.gz BKBMDUGVUDFFDS-HIFRSBDPSA-N 0 0 318.417 3.191 10 30 DGEERN C[C@@H](NC(=O)N[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 ZINC000610884598 400320775 /nfs/dbraw/zinc/32/07/75/400320775.db2.gz BZPDLTLFJLMHCG-RISCZKNCSA-N 0 0 307.344 3.496 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3nccn3C2)CCCC1 ZINC000617416562 400384360 /nfs/dbraw/zinc/38/43/60/400384360.db2.gz WKCNSCOGGPEKTC-OAHLLOKOSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCn3cncc3C2)CCCC1 ZINC000617416870 400384458 /nfs/dbraw/zinc/38/44/58/400384458.db2.gz AZAAWIFWZFFABA-HNNXBMFYSA-N 0 0 301.434 3.088 10 30 DGEERN C=CCCC1(CNC(=O)c2c(C)c(C)n[nH]c2=O)CCCC1 ZINC000617416355 400384624 /nfs/dbraw/zinc/38/46/24/400384624.db2.gz MQKWXSIHFKLDLV-UHFFFAOYSA-N 0 0 303.406 3.055 10 30 DGEERN C=CCCC1(CNC(=O)c2ccc3c(c2)nnn3C)CCCC1 ZINC000617417243 400385082 /nfs/dbraw/zinc/38/50/82/400385082.db2.gz RCJINNVQLWTWOV-UHFFFAOYSA-N 0 0 312.417 3.225 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](CC(C)C)NC(C)=O)CCCC1 ZINC000617417275 400385267 /nfs/dbraw/zinc/38/52/67/400385267.db2.gz SKSGNVDHYPMOPO-INIZCTEOSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCCC1 ZINC000617418695 400386493 /nfs/dbraw/zinc/38/64/93/400386493.db2.gz CCJYCYXGCHLJER-JKSUJKDBSA-N 0 0 301.434 3.166 10 30 DGEERN C=CCSCCNC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000590446757 400386608 /nfs/dbraw/zinc/38/66/08/400386608.db2.gz ZEJBIVVNBHYZGO-UHFFFAOYSA-N 0 0 305.321 3.060 10 30 DGEERN N#Cc1cc(NCc2ccc3c(c2)OCCO3)c(F)cc1F ZINC000114907509 400391022 /nfs/dbraw/zinc/39/10/22/400391022.db2.gz DUZIUQGJKOESPR-UHFFFAOYSA-N 0 0 302.280 3.220 10 30 DGEERN C=CCC[C@@H](C(=O)Nc1nnc(C2CC2)n1C)c1ccccc1 ZINC000617284682 400343094 /nfs/dbraw/zinc/34/30/94/400343094.db2.gz HPCKCQZFQZCWNH-OAHLLOKOSA-N 0 0 310.401 3.381 10 30 DGEERN C=C(C)[C@H](NC(=O)c1cn2c(n1)CCC2)c1ccc(F)c(F)c1 ZINC000580775172 400347678 /nfs/dbraw/zinc/34/76/78/400347678.db2.gz ABTWEISAIADJPU-INIZCTEOSA-N 0 0 317.339 3.155 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C(=O)OC ZINC000601781210 400347893 /nfs/dbraw/zinc/34/78/93/400347893.db2.gz HJBOJPQALZXOQS-MRVPVSSYSA-N 0 0 321.320 3.005 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(C(F)F)cc1F)C(=O)OC ZINC000601783151 400348307 /nfs/dbraw/zinc/34/83/07/400348307.db2.gz AFPBVVNXJJWBTB-LBPRGKRZSA-N 0 0 315.291 3.001 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)OC ZINC000601783499 400349027 /nfs/dbraw/zinc/34/90/27/400349027.db2.gz WSDUQLYJWWLONI-XJKSGUPXSA-N 0 0 321.392 3.018 10 30 DGEERN CC[C@@H](CC#N)Nc1ccc(I)cc1 ZINC000036987642 400392396 /nfs/dbraw/zinc/39/23/96/400392396.db2.gz 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/nfs/dbraw/zinc/36/72/56/400367256.db2.gz YVAZMUZPYXHSDF-CABCVRRESA-N 0 0 301.438 3.181 10 30 DGEERN CS(=O)(=O)OCc1cc(Br)cc2ccccc21 ZINC000115612637 400399312 /nfs/dbraw/zinc/39/93/12/400399312.db2.gz RKHMGQZMTYJMOS-UHFFFAOYSA-N 0 0 315.188 3.079 10 30 DGEERN N#C[C@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 ZINC000039859766 400399360 /nfs/dbraw/zinc/39/93/60/400399360.db2.gz POQSMNBVCMTXPZ-LJQANCHMSA-N 0 0 308.381 3.162 10 30 DGEERN C=CCCSCCNC(=O)c1cc(C(F)(F)F)cnc1C ZINC000602179666 400420777 /nfs/dbraw/zinc/42/07/77/400420777.db2.gz SFKGLMKMFZHNDH-UHFFFAOYSA-N 0 0 318.364 3.448 10 30 DGEERN C=CCCNC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000617616472 400426424 /nfs/dbraw/zinc/42/64/24/400426424.db2.gz YJMQFNKGMLZGGU-UHFFFAOYSA-N 0 0 308.425 3.381 10 30 DGEERN C=CCCOCC(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000590691578 400417208 /nfs/dbraw/zinc/41/72/08/400417208.db2.gz JPBJMFXEFQTCJH-AWEZNQCLSA-N 0 0 301.308 3.341 10 30 DGEERN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Cc1cccc(C#N)c1 ZINC000611548124 400420057 /nfs/dbraw/zinc/42/00/57/400420057.db2.gz FHPFZOVPGRHNOO-FZMZJTMJSA-N 0 0 310.319 3.290 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000617786343 400454454 /nfs/dbraw/zinc/45/44/54/400454454.db2.gz XPPAVHPGVHEPEB-CYBMUJFWSA-N 0 0 305.422 3.114 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000617788464 400455176 /nfs/dbraw/zinc/45/51/76/400455176.db2.gz JLPADQBPACQXGK-WBMJQRKESA-N 0 0 305.805 3.458 10 30 DGEERN CC(C)(C)n1nc(C(=O)NC2(C#N)CCCC2)cc1C1CC1 ZINC000124814619 400479716 /nfs/dbraw/zinc/47/97/16/400479716.db2.gz XTDFQCCELXQOAY-UHFFFAOYSA-N 0 0 300.406 3.082 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000126578012 400493426 /nfs/dbraw/zinc/49/34/26/400493426.db2.gz WBNGHYRKPMTNLA-CJNGLKHVSA-N 0 0 306.381 3.091 10 30 DGEERN C=C[C@@H](C)NC(=O)CCc1ccc(OC)cc1Br ZINC000612263352 400515077 /nfs/dbraw/zinc/51/50/77/400515077.db2.gz HJQDSTSZIFHCAJ-SNVBAGLBSA-N 0 0 312.207 3.081 10 30 DGEERN N#Cc1ccc(CNC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000045407900 400520891 /nfs/dbraw/zinc/52/08/91/400520891.db2.gz BABWZCDKLGVTCV-UHFFFAOYSA-N 0 0 318.348 3.245 10 30 DGEERN C=CCSc1ccccc1C(=O)NCCO[C@H]1CC1(F)F ZINC000618132709 400531578 /nfs/dbraw/zinc/53/15/78/400531578.db2.gz GDOCCDKUAZPKIB-ZDUSSCGKSA-N 0 0 313.369 3.119 10 30 DGEERN CC(C)Oc1ncc(C(=O)Nc2cc(C#N)ccn2)cc1Cl ZINC000618137444 400532870 /nfs/dbraw/zinc/53/28/70/400532870.db2.gz BQQUBMJKEIHPLR-UHFFFAOYSA-N 0 0 316.748 3.041 10 30 DGEERN CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000612371206 400533271 /nfs/dbraw/zinc/53/32/71/400533271.db2.gz GBZZNCSBBOTHBQ-CYBMUJFWSA-N 0 0 301.365 3.195 10 30 DGEERN C=CCN(CCC#N)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000602672990 400533798 /nfs/dbraw/zinc/53/37/98/400533798.db2.gz UCNMQXMUEOAPCZ-UHFFFAOYSA-N 0 0 307.401 3.046 10 30 DGEERN C=CCC1(NC(=O)c2ccc(C)c(OCC)c2)CCOCC1 ZINC000618247815 400550456 /nfs/dbraw/zinc/55/04/56/400550456.db2.gz LGYMETKTKFFJLU-UHFFFAOYSA-N 0 0 303.402 3.249 10 30 DGEERN C=CCC1(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)CCOCC1 ZINC000618251240 400552147 /nfs/dbraw/zinc/55/21/47/400552147.db2.gz FMMSRZAVFCVFCR-YJBOKZPZSA-N 0 0 303.377 3.113 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc2ccc(F)c(F)c2n1)C(=O)OC ZINC000602732393 400555500 /nfs/dbraw/zinc/55/55/00/400555500.db2.gz BMOUATCMHFASJN-CQSZACIVSA-N 0 0 320.339 3.110 10 30 DGEERN C=C(C)C[C@H](NCc1csc(-c2ccccc2)n1)C(=O)OC ZINC000602730950 400555721 /nfs/dbraw/zinc/55/57/21/400555721.db2.gz GYORVKHRQKVYPS-HNNXBMFYSA-N 0 0 316.426 3.408 10 30 DGEERN C=C(C)C[C@H](NCc1ccc2nc(C)sc2c1)C(=O)OC ZINC000602734581 400556813 /nfs/dbraw/zinc/55/68/13/400556813.db2.gz PMLGIVILKQZKFT-AWEZNQCLSA-N 0 0 304.415 3.202 10 30 DGEERN C=C(C)C[C@@H](NCc1cc(Cl)cc(Cl)c1N)C(=O)OC ZINC000602737424 400558727 /nfs/dbraw/zinc/55/87/27/400558727.db2.gz BWDOHYGXABJHLI-GFCCVEGCSA-N 0 0 317.216 3.173 10 30 DGEERN C=C(C)C[C@H](NCc1ccc(Br)s1)C(=O)OC ZINC000602735612 400558764 /nfs/dbraw/zinc/55/87/64/400558764.db2.gz YJSJECWDQYKVJQ-JTQLQIEISA-N 0 0 318.236 3.108 10 30 DGEERN C=C(C)C[C@@H](NCc1ccsc1Br)C(=O)OC ZINC000602739612 400559932 /nfs/dbraw/zinc/55/99/32/400559932.db2.gz RKUWXLGLDWNGRD-SNVBAGLBSA-N 0 0 318.236 3.108 10 30 DGEERN C=CCN(Cc1cccs1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602761091 400565827 /nfs/dbraw/zinc/56/58/27/400565827.db2.gz WFGWOTVBJOWUGY-NSHDSACASA-N 0 0 306.387 3.272 10 30 DGEERN C=CCCCN(C)c1nnc([C@@]2(C)CCCO2)n1CC1CC1 ZINC000612940222 400629209 /nfs/dbraw/zinc/62/92/09/400629209.db2.gz GNIHQIMUZNKXNZ-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN O=CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000142410672 400630166 /nfs/dbraw/zinc/63/01/66/400630166.db2.gz MXEIHRGVDBFARS-UHFFFAOYSA-N 0 0 307.393 3.450 10 30 DGEERN Cc1cc(C(=O)N(C)C2(C#N)CCC2)c(C)n1Cc1ccncc1 ZINC000613017678 400643474 /nfs/dbraw/zinc/64/34/74/400643474.db2.gz QAXIZUSVPPHMCX-UHFFFAOYSA-N 0 0 322.412 3.067 10 30 DGEERN C=CCC[C@H](CO)NC(=O)Nc1ccccc1CCSC ZINC000603075755 400636969 /nfs/dbraw/zinc/63/69/69/400636969.db2.gz HRUXHIUWJZNCNG-CQSZACIVSA-N 0 0 308.447 3.041 10 30 DGEERN C=CC[C@H](CO)Nc1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC000591931535 400582073 /nfs/dbraw/zinc/58/20/73/400582073.db2.gz ZKMOFGBYAKDHPH-LLVKDONJSA-N 0 0 312.797 3.039 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1ccc(C(=O)OC(C)(C)C)cn1 ZINC000591946812 400585970 /nfs/dbraw/zinc/58/59/70/400585970.db2.gz FRVFDRLMHUPSFW-KGLIPLIRSA-N 0 0 304.390 3.182 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000591988839 400593054 /nfs/dbraw/zinc/59/30/54/400593054.db2.gz XWTDDRJOEJRJDB-BFHYXJOUSA-N 0 0 310.438 3.151 10 30 DGEERN C=C(C)CN(C)c1nnc(Cc2ccsc2)n1CC1CC1 ZINC000612754372 400596838 /nfs/dbraw/zinc/59/68/38/400596838.db2.gz JVCZWMWAVUISQJ-UHFFFAOYSA-N 0 0 302.447 3.353 10 30 DGEERN C=C(C)CCNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592031900 400597932 /nfs/dbraw/zinc/59/79/32/400597932.db2.gz XPOUWEJIUUHMSR-UHFFFAOYSA-N 0 0 310.438 3.106 10 30 DGEERN Cc1ccc(S(=O)(=O)OCCCCCCCCO)cc1 ZINC000139129069 400603592 /nfs/dbraw/zinc/60/35/92/400603592.db2.gz 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IMOKHRDKPOLPMA-UHFFFAOYSA-N 0 0 303.189 3.019 10 30 DGEERN C=CCOCCCNC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000618525739 400611665 /nfs/dbraw/zinc/61/16/65/400611665.db2.gz FYPLFRZHXLUBJG-CYBMUJFWSA-N 0 0 323.820 3.258 10 30 DGEERN C=CCN(c1nnc(-c2scnc2C)n1CC1CC1)C1CC1 ZINC000613053194 400648989 /nfs/dbraw/zinc/64/89/89/400648989.db2.gz RKUQJGPPBOXDJF-UHFFFAOYSA-N 0 0 315.446 3.275 10 30 DGEERN C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)OC)nc1 ZINC000603147032 400649386 /nfs/dbraw/zinc/64/93/86/400649386.db2.gz VZPYICIVVYAIQN-UHFFFAOYSA-N 0 0 305.378 3.078 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(CC)CCSC ZINC000592396863 400645384 /nfs/dbraw/zinc/64/53/84/400645384.db2.gz CMLRPBLSZYNTLW-LBPRGKRZSA-N 0 0 312.508 3.222 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000076486221 400657214 /nfs/dbraw/zinc/65/72/14/400657214.db2.gz WLHDKBIFCSGFFP-QGZVFWFLSA-N 0 0 316.445 3.174 10 30 DGEERN C=CCOCC(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000618785790 400688756 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C=CC[C@H](CO)NC(=O)NCc1ccc(-c2cccc(C)c2)cc1 ZINC000185632023 400905592 /nfs/dbraw/zinc/90/55/92/400905592.db2.gz PJNNEASPANSNAV-LJQANCHMSA-N 0 0 324.424 3.398 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593761185 400906197 /nfs/dbraw/zinc/90/61/97/400906197.db2.gz IXBIFDNWDJOEIX-UHFFFAOYSA-N 0 0 307.401 3.369 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@H]2CCCc3ccccc32)nn1 ZINC000593939724 400922615 /nfs/dbraw/zinc/92/26/15/400922615.db2.gz IMKSMXQVKPIBSB-JTSKRJEESA-N 0 0 315.442 3.181 10 30 DGEERN C=CCN(Cc1nnc(C(C)C)n1C)Cc1ccccc1F ZINC000195102307 400923407 /nfs/dbraw/zinc/92/34/07/400923407.db2.gz ZPGGSMDLINRDSH-UHFFFAOYSA-N 0 0 302.397 3.266 10 30 DGEERN CC(=O)N(C)c1ccc(NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000593947128 400924236 /nfs/dbraw/zinc/92/42/36/400924236.db2.gz OMEJZMRLMQMCIL-UHFFFAOYSA-N 0 0 322.412 3.478 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)NCc1ccc(C#N)cc1 ZINC000056404842 400924981 /nfs/dbraw/zinc/92/49/81/400924981.db2.gz RIJMQVWOCFNPLG-UHFFFAOYSA-N 0 0 323.396 3.299 10 30 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DGEERN C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000623623653 401557442 /nfs/dbraw/zinc/55/74/42/401557442.db2.gz XAKZGTFMZKLXSX-JSGCOSHPSA-N 0 0 306.381 3.298 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000623919941 401598942 /nfs/dbraw/zinc/59/89/42/401598942.db2.gz VDGBTJRYNRNHMT-DOMZBBRYSA-N 0 0 304.365 3.257 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Oc3ccncc3C)CC2)C1 ZINC000632777145 401625753 /nfs/dbraw/zinc/62/57/53/401625753.db2.gz WAFVMDGXIFIBHQ-UHFFFAOYSA-N 0 0 300.402 3.116 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cc(NC(=O)NCC)ccc2C)C1 ZINC000632784165 401626137 /nfs/dbraw/zinc/62/61/37/401626137.db2.gz UIJQDPJPFQKMKT-UHFFFAOYSA-N 0 0 301.390 3.431 10 30 DGEERN C=C1CC(C)(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)C1 ZINC000632813771 401628153 /nfs/dbraw/zinc/62/81/53/401628153.db2.gz GKEWFNBGUFPGIJ-UHFFFAOYSA-N 0 0 301.390 3.383 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCCc2ccc(Cl)c(OC)c2)C1 ZINC000624129734 401630539 /nfs/dbraw/zinc/63/05/39/401630539.db2.gz VYXLDBBIHNEYRY-CQSZACIVSA-N 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C=CCC(C)(C)CNC(=O)N(C)Cc1c(C)nn(CC)c1C ZINC000633262137 401667467 /nfs/dbraw/zinc/66/74/67/401667467.db2.gz KSSNZQOLDXRFNI-UHFFFAOYSA-N 0 0 306.454 3.264 10 30 DGEERN C=CCC1(C(=O)Nc2cccc3oc(C)nc32)CCOCC1 ZINC000633348444 401674849 /nfs/dbraw/zinc/67/48/49/401674849.db2.gz XWSGXIKEKXYZJH-UHFFFAOYSA-N 0 0 300.358 3.448 10 30 DGEERN C=CCC(C)(C)c1noc(-c2cncc(N3CCCC3=O)c2)n1 ZINC000624633485 401677184 /nfs/dbraw/zinc/67/71/84/401677184.db2.gz BVGQAMIMJHPUMJ-UHFFFAOYSA-N 0 0 312.373 3.112 10 30 DGEERN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C12CCCC2 ZINC000365018299 286259520 /nfs/dbraw/zinc/25/95/20/286259520.db2.gz VXWROMNXEULQQN-HUUCEWRRSA-N 0 0 319.449 3.059 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000173208171 296686327 /nfs/dbraw/zinc/68/63/27/296686327.db2.gz ZTOKGKVZUNIYGL-WDEREUQCSA-N 0 0 312.822 3.021 10 30 DGEERN C[C@H]1CC(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000408080598 165944209 /nfs/dbraw/zinc/94/42/09/165944209.db2.gz SAUWKXYTWQUMEN-GJZGRUSLSA-N 0 0 324.424 3.378 10 30 DGEERN Cc1ccnc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n1 ZINC000363783147 286957921 /nfs/dbraw/zinc/95/79/21/286957921.db2.gz WEBUUVYTBJOQJX-UHFFFAOYSA-N 0 0 313.792 3.089 10 30 DGEERN CCOc1ccc(C#N)cc1NCc1cnc2nc(C)cc(C)n12 ZINC000181419340 164913934 /nfs/dbraw/zinc/91/39/34/164913934.db2.gz CAWCYBBRMRPAAV-UHFFFAOYSA-N 0 0 321.384 3.229 10 30 DGEERN CC(C)C[C@H](C)CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183649708 164957106 /nfs/dbraw/zinc/95/71/06/164957106.db2.gz AJAGFDULCVFRKK-ZDUSSCGKSA-N 0 0 311.389 3.150 10 30 DGEERN Cc1ccc(F)cc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185837269 165017649 /nfs/dbraw/zinc/01/76/49/165017649.db2.gz NEMHBVGKIOZSJG-UHFFFAOYSA-N 0 0 307.332 3.199 10 30 DGEERN C[C@@H](CNc1cnn(-c2ncccc2C#N)c1)Cc1ccccc1 ZINC000187396531 165089815 /nfs/dbraw/zinc/08/98/15/165089815.db2.gz OGQJCRVZBUZNTN-OAHLLOKOSA-N 0 0 317.396 3.430 10 30 DGEERN CCC1(CC)CN(Cc2ccc(Cl)cc2C#N)CC[S@]1=O ZINC000187562269 165095188 /nfs/dbraw/zinc/09/51/88/165095188.db2.gz QFHIXRLKHRFTHM-OAQYLSRUSA-N 0 0 324.877 3.335 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000188461294 165124758 /nfs/dbraw/zinc/12/47/58/165124758.db2.gz SDELISSTIZBUQF-UHFFFAOYSA-N 0 0 311.385 3.325 10 30 DGEERN CS[C@H]1CCCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188823385 165140213 /nfs/dbraw/zinc/14/02/13/165140213.db2.gz LXWWUZQKSUMXLR-INIZCTEOSA-N 0 0 314.454 3.334 10 30 DGEERN Cn1cnc(-c2cccc(OCc3ccc(C#N)c(F)c3)c2)n1 ZINC000190171281 165191695 /nfs/dbraw/zinc/19/16/95/165191695.db2.gz IHKJCLZOKYRFLI-UHFFFAOYSA-N 0 0 308.316 3.072 10 30 DGEERN COc1ccc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)cc1F ZINC000190745612 165215708 /nfs/dbraw/zinc/21/57/08/165215708.db2.gz NCOJGVXVAGUYQA-QFIPXVFZSA-N 0 0 321.348 3.294 10 30 DGEERN COc1ccc(OCc2ccc(C#N)c(F)c2)c([N+](=O)[O-])c1 ZINC000191524539 165257609 /nfs/dbraw/zinc/25/76/09/165257609.db2.gz PYFKNNHMSDSSKW-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000192162878 165285372 /nfs/dbraw/zinc/28/53/72/165285372.db2.gz RUHCMIPYHVHLSA-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN COc1cc(OC)cc(N(C)Cc2ccc(C#N)c(F)c2)c1 ZINC000192217644 165286843 /nfs/dbraw/zinc/28/68/43/165286843.db2.gz MXNUYKLNHCYRIT-UHFFFAOYSA-N 0 0 300.333 3.351 10 30 DGEERN N#Cc1cc(C(=O)NCC2(c3ccccc3)CCCC2)ccn1 ZINC000192457351 165292942 /nfs/dbraw/zinc/29/29/42/165292942.db2.gz NFFIYVJHLKZIHS-UHFFFAOYSA-N 0 0 305.381 3.195 10 30 DGEERN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccnc(C#N)c1 ZINC000192775036 165306194 /nfs/dbraw/zinc/30/61/94/165306194.db2.gz SAUZBAIQCPJBJJ-LBPRGKRZSA-N 0 0 305.337 3.499 10 30 DGEERN N#Cc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)ccn1 ZINC000192757356 165306636 /nfs/dbraw/zinc/30/66/36/165306636.db2.gz UPHLPNNTYVKDJS-UHFFFAOYSA-N 0 0 320.377 3.253 10 30 DGEERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000192940507 165312238 /nfs/dbraw/zinc/31/22/38/165312238.db2.gz OZOMGFKJYVPUHC-CQSZACIVSA-N 0 0 307.397 3.439 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc3c(cccc3Cl)s2)ccn1 ZINC000193751861 165330778 /nfs/dbraw/zinc/33/07/78/165330778.db2.gz CBNSNWCRNLCYGD-UHFFFAOYSA-N 0 0 314.757 3.469 10 30 DGEERN N#Cc1ccc(OCCN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171619535 432151578 /nfs/dbraw/zinc/15/15/78/432151578.db2.gz KSJOJNQXIBXDCU-UHFFFAOYSA-N 0 0 317.392 3.477 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccn2)CC1 ZINC000171632002 432153992 /nfs/dbraw/zinc/15/39/92/432153992.db2.gz OCMIVIPCXLENSW-UHFFFAOYSA-N 0 0 322.368 3.321 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)N[C@@](C)(C#N)CCc2ccccc2)n1 ZINC000171835507 432177208 /nfs/dbraw/zinc/17/72/08/432177208.db2.gz WMVHEYGSIDYWOS-QFBILLFUSA-N 0 0 324.428 3.092 10 30 DGEERN CC(C)(C)OC(=O)c1ccc(C[S@](=O)CCCC#N)cc1 ZINC000190832338 432192104 /nfs/dbraw/zinc/19/21/04/432192104.db2.gz MXBNVXJBVRWHCT-OAQYLSRUSA-N 0 0 307.415 3.194 10 30 DGEERN CC(C)Oc1ccc(NC(=O)[C@H]2CCCc3n[nH]cc32)cc1C#N ZINC000131016691 196133131 /nfs/dbraw/zinc/13/31/31/196133131.db2.gz OSQRMEJTKSAMIV-AWEZNQCLSA-N 0 0 324.384 3.127 10 30 DGEERN CCOC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000191018589 432212831 /nfs/dbraw/zinc/21/28/31/432212831.db2.gz CQWDDFAQYJIAIA-MRXNPFEDSA-N 0 0 300.402 3.033 10 30 DGEERN C=CC[C@@H](CO)Nc1cncc(SCc2ccccc2)n1 ZINC000182665607 432214911 /nfs/dbraw/zinc/21/49/11/432214911.db2.gz UYZDZGLAWWFNER-AWEZNQCLSA-N 0 0 301.415 3.118 10 30 DGEERN CC(C)COc1ccc([C@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182718538 432222396 /nfs/dbraw/zinc/22/23/96/432222396.db2.gz YHLXGEXMOKWWEB-KBPBESRZSA-N 0 0 303.406 3.241 10 30 DGEERN Cc1ccn(-c2ccccc2CNc2nnc(C)c(C)c2C#N)n1 ZINC000132162680 196231584 /nfs/dbraw/zinc/23/15/84/196231584.db2.gz SRURMTOIFHNSTI-UHFFFAOYSA-N 0 0 318.384 3.071 10 30 DGEERN N#CC1(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000124804431 226991545 /nfs/dbraw/zinc/99/15/45/226991545.db2.gz OZKDPNQFJHGMFS-UHFFFAOYSA-N 0 0 312.291 3.080 10 30 DGEERN Cc1ccc(Cc2nc(C(=O)N[C@@H](C#N)C3CC3)cs2)cc1 ZINC000129462057 227013317 /nfs/dbraw/zinc/01/33/17/227013317.db2.gz UTNHZEJSYVNENB-AWEZNQCLSA-N 0 0 311.410 3.074 10 30 DGEERN N#CCC[C@@H](C#N)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000131564115 227024939 /nfs/dbraw/zinc/02/49/39/227024939.db2.gz JZSTYIQRRHNPCC-LBPRGKRZSA-N 0 0 308.337 3.104 10 30 DGEERN C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccccc1-n1cccn1 ZINC000159712924 228242917 /nfs/dbraw/zinc/24/29/17/228242917.db2.gz QZANLYBOGFFZAV-CQSZACIVSA-N 0 0 308.385 3.133 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccccc1OC(F)F ZINC000160246796 228245530 /nfs/dbraw/zinc/24/55/30/228245530.db2.gz RXKGHEOECXZQIQ-UHFFFAOYSA-N 0 0 316.307 3.398 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000161907917 228255454 /nfs/dbraw/zinc/25/54/54/228255454.db2.gz FVRWCBIMSQBUGG-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN Cc1ccc(C(=O)NC2(C#N)CCCC2)c(Br)c1 ZINC000162093793 228255939 /nfs/dbraw/zinc/25/59/39/228255939.db2.gz BCGZRRWQJFQTNA-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000169267123 228267309 /nfs/dbraw/zinc/26/73/09/228267309.db2.gz PMHUTONIKXUXPA-SNVBAGLBSA-N 0 0 324.789 3.153 10 30 DGEERN N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171738083 228273493 /nfs/dbraw/zinc/27/34/93/228273493.db2.gz RKSYETORMLVFSZ-OLZOCXBDSA-N 0 0 304.340 3.411 10 30 DGEERN N#CCC[C@H](C#N)CN1CCc2cccc(Br)c2C1 ZINC000172418850 228276276 /nfs/dbraw/zinc/27/62/76/228276276.db2.gz BODBZLWJWIIWPM-GFCCVEGCSA-N 0 0 318.218 3.251 10 30 DGEERN N#Cc1c(NC(=O)c2cccc3ccccc32)nc2n1CCS2 ZINC000175196817 228298127 /nfs/dbraw/zinc/29/81/27/228298127.db2.gz VVAPEVLGYPZDJN-UHFFFAOYSA-N 0 0 320.377 3.266 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000176529075 228315171 /nfs/dbraw/zinc/31/51/71/228315171.db2.gz QVIAULXZRUATLV-UHFFFAOYSA-N 0 0 308.366 3.273 10 30 DGEERN Cc1cc(C)cc(OCCNC(=O)c2ccc(C#N)cc2C)c1 ZINC000178615374 228344186 /nfs/dbraw/zinc/34/41/86/228344186.db2.gz OSAKSTILWJBOCM-UHFFFAOYSA-N 0 0 308.381 3.292 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1O)C1CC1 ZINC000179556061 228352672 /nfs/dbraw/zinc/35/26/72/228352672.db2.gz WUCMCHZLNMVWJT-QGZVFWFLSA-N 0 0 306.365 3.015 10 30 DGEERN COCc1ccsc1C(=O)N(CCC#N)Cc1ccco1 ZINC000179871278 228353623 /nfs/dbraw/zinc/35/36/23/228353623.db2.gz LMVMWSVJLLVZEH-UHFFFAOYSA-N 0 0 304.371 3.044 10 30 DGEERN C[C@H](c1ccncc1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180042235 228354105 /nfs/dbraw/zinc/35/41/05/228354105.db2.gz CCNYHKIADJOSMP-CQSZACIVSA-N 0 0 305.381 3.470 10 30 DGEERN Cc1nc(C(F)(F)F)c(C[S@](=O)CCCCC#N)s1 ZINC000183697609 228375490 /nfs/dbraw/zinc/37/54/90/228375490.db2.gz XGSKAHQGFOHMMV-LJQANCHMSA-N 0 0 310.366 3.413 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000184354945 228383061 /nfs/dbraw/zinc/38/30/61/228383061.db2.gz BBAJHNXZWMOWNR-IUODEOHRSA-N 0 0 323.352 3.233 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000184354987 228383120 /nfs/dbraw/zinc/38/31/20/228383120.db2.gz BBAJHNXZWMOWNR-DOMZBBRYSA-N 0 0 323.352 3.233 10 30 DGEERN N#CCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000184928153 228387019 /nfs/dbraw/zinc/38/70/19/228387019.db2.gz HMTNIBHVJSAZCJ-UHFFFAOYSA-N 0 0 309.156 3.090 10 30 DGEERN Cc1cc[nH]c(=O)c1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328610309 228904283 /nfs/dbraw/zinc/90/42/83/228904283.db2.gz HHAQKLIPBCOKEO-GDBMZVCRSA-N 0 0 312.369 3.178 10 30 DGEERN O=C(NC[C@@H]1COc2ccccc2O1)N1CCC[C@H]1C1CCC1 ZINC000328910931 228920143 /nfs/dbraw/zinc/92/01/43/228920143.db2.gz FZWAHDXUBUJGHX-CABCVRRESA-N 0 0 316.401 3.005 10 30 DGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000329489794 228945913 /nfs/dbraw/zinc/94/59/13/228945913.db2.gz YOACIOHHAKWTMR-MCIONIFRSA-N 0 0 323.462 3.194 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC([C@@H](C)O)CC2)C1 ZINC000329748538 228958509 /nfs/dbraw/zinc/95/85/09/228958509.db2.gz FLFRMKIGTKDPQC-DJIMGWMZSA-N 0 0 316.445 3.248 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC([C@H](C)O)CC2)C1 ZINC000329748541 228958584 /nfs/dbraw/zinc/95/85/84/228958584.db2.gz FLFRMKIGTKDPQC-XIRDDKMYSA-N 0 0 316.445 3.248 10 30 DGEERN N#C[C@H]1CN(Cc2ccc(SC(F)F)cc2)CCN1C1CC1 ZINC000360093253 229391559 /nfs/dbraw/zinc/39/15/59/229391559.db2.gz QFUVYUCWNOAOKU-AWEZNQCLSA-N 0 0 323.412 3.173 10 30 DGEERN Cc1ccc(C[C@H](C)C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000181272559 263580147 /nfs/dbraw/zinc/58/01/47/263580147.db2.gz ZKVDXTOCBQDTDG-INIZCTEOSA-N 0 0 322.408 3.241 10 30 DGEERN CCOc1ccccc1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000194866814 263822717 /nfs/dbraw/zinc/82/27/17/263822717.db2.gz NPBSYDMCKQWITB-UHFFFAOYSA-N 0 0 308.381 3.158 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@@H]2COc3ccccc3O2)c1 ZINC000347430324 264219234 /nfs/dbraw/zinc/21/92/34/264219234.db2.gz NOPJVGCDXXVBHB-OAHLLOKOSA-N 0 0 308.337 3.013 10 30 DGEERN N#Cc1csc(CN[C@@H]2CCSc3ccc(F)cc32)n1 ZINC000352836750 265188786 /nfs/dbraw/zinc/18/87/86/265188786.db2.gz XJNADGIVECBGTE-GFCCVEGCSA-N 0 0 305.403 3.481 10 30 DGEERN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000521323753 266810481 /nfs/dbraw/zinc/81/04/81/266810481.db2.gz OCNVQPHSHRPCCF-DLBZAZTESA-N 0 0 319.412 3.382 10 30 DGEERN COc1ccc(CCNC(=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000151275396 432234733 /nfs/dbraw/zinc/23/47/33/432234733.db2.gz RABRSTNOIWBCCZ-UHFFFAOYSA-N 0 0 314.772 3.193 10 30 DGEERN COc1ccccc1O[C@H]1CCCN(c2ccncc2C#N)C1 ZINC000376197446 266902004 /nfs/dbraw/zinc/90/20/04/266902004.db2.gz FTYPUKGGDZAWFT-HNNXBMFYSA-N 0 0 309.369 3.010 10 30 DGEERN CCN(CCNC(=O)Cc1cccc(C#N)c1)c1cccc(C)c1 ZINC000531157771 267063824 /nfs/dbraw/zinc/06/38/24/267063824.db2.gz WKCUKYOIJBNZHX-UHFFFAOYSA-N 0 0 321.424 3.052 10 30 DGEERN CCS[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000530931805 267182047 /nfs/dbraw/zinc/18/20/47/267182047.db2.gz YOTONRXQZUDNLP-CVEARBPZSA-N 0 0 302.443 3.281 10 30 DGEERN C[C@H]1CSCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000191245883 432239131 /nfs/dbraw/zinc/23/91/31/432239131.db2.gz KGXADLZXBXNHMZ-CYBMUJFWSA-N 0 0 300.427 3.067 10 30 DGEERN Cc1ccccc1C1(CNC(=O)Cc2cccc(C#N)c2)CC1 ZINC000530676205 268061906 /nfs/dbraw/zinc/06/19/06/268061906.db2.gz FGDDNWYVSJOXEE-UHFFFAOYSA-N 0 0 304.393 3.257 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)Cc2cnc3ccccc3c2)c1 ZINC000131334946 268102537 /nfs/dbraw/zinc/10/25/37/268102537.db2.gz JOBVIQAZECJMGJ-UHFFFAOYSA-N 0 0 319.339 3.104 10 30 DGEERN N#Cc1ccc(NCC[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000341396109 268155378 /nfs/dbraw/zinc/15/53/78/268155378.db2.gz OOIYJAKEPJNJKL-SNVBAGLBSA-N 0 0 323.112 3.046 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2(c3cccc(F)c3)CC2)c1 ZINC000530914612 268274826 /nfs/dbraw/zinc/27/48/26/268274826.db2.gz HRLNMNJFBUNDOX-UHFFFAOYSA-N 0 0 308.356 3.088 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2cc(-c3ccccc3)no2)c1 ZINC000530670853 268276116 /nfs/dbraw/zinc/27/61/16/268276116.db2.gz QIPWWILRDHGYFJ-UHFFFAOYSA-N 0 0 317.348 3.072 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000531154358 268277232 /nfs/dbraw/zinc/27/72/32/268277232.db2.gz ICILQXQKFCVAMU-XJKSGUPXSA-N 0 0 312.319 3.051 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000531150109 268278018 /nfs/dbraw/zinc/27/80/18/268278018.db2.gz PXWOJNJJFRXATN-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000531511654 268278381 /nfs/dbraw/zinc/27/83/81/268278381.db2.gz AUXJGSYEAWZZFI-UHFFFAOYSA-N 0 0 320.327 3.064 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000531390416 268278618 /nfs/dbraw/zinc/27/86/18/268278618.db2.gz WUHQOPUWMGNXJO-UHFFFAOYSA-N 0 0 319.364 3.088 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](n3ccnc3CC)C2)CCC1 ZINC000191346814 432252073 /nfs/dbraw/zinc/25/20/73/432252073.db2.gz UPVZPSHKMXJKOY-HNNXBMFYSA-N 0 0 301.434 3.355 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160829836 287676576 /nfs/dbraw/zinc/67/65/76/287676576.db2.gz MMKZCYZFWNDBOU-GHMZBOCLSA-N 0 0 312.822 3.021 10 30 DGEERN c1ccc([C@@H]2C/C(=N\N3CCOCC3)c3ccccc3O2)cc1 ZINC000005446533 275068170 /nfs/dbraw/zinc/06/81/70/275068170.db2.gz ZJDMLNNDJAWQMT-ZMESVYRVSA-N 0 0 308.381 3.247 10 30 DGEERN C=CCOc1ccccc1CNc1ccn([C@H](C)COC)n1 ZINC000495173081 429184497 /nfs/dbraw/zinc/18/44/97/429184497.db2.gz MCWGZROLKREJMR-CQSZACIVSA-N 0 0 301.390 3.267 10 30 DGEERN C#Cc1cccc(N2C(=O)[C@H]3C[C@@H](C4CCCCC4)CN3C2=O)c1 ZINC000373077038 275388330 /nfs/dbraw/zinc/38/83/30/275388330.db2.gz BMOYKHWTXHMFTP-SJLPKXTDSA-N 0 0 322.408 3.405 10 30 DGEERN C(#Cc1ccccc1)CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000361688779 275388707 /nfs/dbraw/zinc/38/87/07/275388707.db2.gz CGICVOSDUVWHFE-UHFFFAOYSA-N 0 0 313.404 3.282 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCOCC1 ZINC000424888562 275422324 /nfs/dbraw/zinc/42/23/24/275422324.db2.gz IGEYPEPXOPRPNJ-GOSISDBHSA-N 0 0 324.424 3.425 10 30 DGEERN CC(=O)CCCn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000338401553 275442668 /nfs/dbraw/zinc/44/26/68/275442668.db2.gz WDXOPARITPSHPO-UHFFFAOYSA-N 0 0 302.761 3.204 10 30 DGEERN CC(C)(C)[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1O ZINC000408195375 275528728 /nfs/dbraw/zinc/52/87/28/275528728.db2.gz OJPCXISTVPZDIX-WBVHZDCISA-N 0 0 309.413 3.340 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000341328477 276865336 /nfs/dbraw/zinc/86/53/36/276865336.db2.gz FSSTYNSUBOFIAV-CJNGLKHVSA-N 0 0 300.402 3.203 10 30 DGEERN C=CCC1(CN2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)CCCC1 ZINC000420061468 276882890 /nfs/dbraw/zinc/88/28/90/276882890.db2.gz LTMAXIPEOACNKR-KKUMJFAQSA-N 0 0 302.418 3.186 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000352420025 276906450 /nfs/dbraw/zinc/90/64/50/276906450.db2.gz XYSWRUQDIHEVKW-IBGZPJMESA-N 0 0 315.413 3.284 10 30 DGEERN C=CCn1c(N2CC(C)(C)C[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000414527547 276912300 /nfs/dbraw/zinc/91/23/00/276912300.db2.gz MRDFDBOEDZIKKS-GUYCJALGSA-N 0 0 304.438 3.115 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000425871779 276919975 /nfs/dbraw/zinc/91/99/75/276919975.db2.gz IQISYRLPCLACFE-HRCADAONSA-N 0 0 306.450 3.188 10 30 DGEERN CC(=O)c1ccsc1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000292066249 277115867 /nfs/dbraw/zinc/11/58/67/277115867.db2.gz KLTOHEXSKAEIFP-UHFFFAOYSA-N 0 0 319.430 3.047 10 30 DGEERN CN1CCc2c(c3cc(F)ccc3n2C#Cc2cccnc2)C1 ZINC000075567492 277187022 /nfs/dbraw/zinc/18/70/22/277187022.db2.gz DPTCIIYSUBFZKY-UHFFFAOYSA-N 0 0 305.356 3.021 10 30 DGEERN CC(C)(C)[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000279248922 277240320 /nfs/dbraw/zinc/24/03/20/277240320.db2.gz HSVWXPLHZGNWJU-INIZCTEOSA-N 0 0 312.413 3.129 10 30 DGEERN CC(C)C1CCC(NC(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000330257390 277339846 /nfs/dbraw/zinc/33/98/46/277339846.db2.gz LMEOXIBWGMAKQU-UHFFFAOYSA-N 0 0 317.433 3.274 10 30 DGEERN COC(=O)[C@@H]1CCN(CC#Cc2ccccc2)c2ccccc21 ZINC000192132146 277351918 /nfs/dbraw/zinc/35/19/18/277351918.db2.gz RZXQFJFQBSTWAR-GOSISDBHSA-N 0 0 305.377 3.205 10 30 DGEERN C=C(C)C(C)(C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000424862883 277763003 /nfs/dbraw/zinc/76/30/03/277763003.db2.gz HLPHSKALMVYAKI-UHFFFAOYSA-N 0 0 306.372 3.074 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](COC)CC1 ZINC000453450339 277784457 /nfs/dbraw/zinc/78/44/57/277784457.db2.gz HELXHFOHDQRNLV-HNNXBMFYSA-N 0 0 306.454 3.231 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CC2(CCCC2)OC(C)(C)C1)OCC ZINC000468288569 277788705 /nfs/dbraw/zinc/78/87/05/277788705.db2.gz VQIZFWVHAAJRGR-OAHLLOKOSA-N 0 0 309.450 3.308 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CC2(CCCC2)OC(C)(C)C1)OCC ZINC000468288568 277797977 /nfs/dbraw/zinc/79/79/77/277797977.db2.gz VQIZFWVHAAJRGR-HNNXBMFYSA-N 0 0 309.450 3.308 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000278489821 277807654 /nfs/dbraw/zinc/80/76/54/277807654.db2.gz LIKXFGHAYYTIQI-XNRPHZJLSA-N 0 0 321.417 3.460 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccoc1C(F)(F)F ZINC000291523002 277843547 /nfs/dbraw/zinc/84/35/47/277843547.db2.gz PBRLBTVKFJITOY-UHFFFAOYSA-N 0 0 301.186 3.489 10 30 DGEERN C=CCN(Cc1csc(N(CC)C(C)=O)n1)CC(F)(F)F ZINC000112408461 277855561 /nfs/dbraw/zinc/85/55/61/277855561.db2.gz LCQBKQXGCNXRNH-UHFFFAOYSA-N 0 0 321.368 3.066 10 30 DGEERN C=CCN(c1nnc([C@@]2(C)CCCO2)n1CC(C)C)C1CC1 ZINC000453477102 277855657 /nfs/dbraw/zinc/85/56/57/277855657.db2.gz GZBKILSUOFVTLK-QGZVFWFLSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCC1(C(=O)Nc2ccn(C3CCOCC3)n2)CCCC1 ZINC000618908515 430595683 /nfs/dbraw/zinc/59/56/83/430595683.db2.gz LHSUOZDJKJQTNU-UHFFFAOYSA-N 0 0 303.406 3.310 10 30 DGEERN C=CC[C@H](CO)Nc1nc2c(cccc2Br)s1 ZINC000621290515 430602375 /nfs/dbraw/zinc/60/23/75/430602375.db2.gz MRXMDXBIDMNVKB-MRVPVSSYSA-N 0 0 313.220 3.408 10 30 DGEERN N#Cc1c(C#N)c2c(nc1NCC[C@H]1CCOC1)CCCCCC2 ZINC000619489685 430596725 /nfs/dbraw/zinc/59/67/25/430596725.db2.gz CXJRPTFODAARSG-AWEZNQCLSA-N 0 0 324.428 3.322 10 30 DGEERN C=CCn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453441350 277894132 /nfs/dbraw/zinc/89/41/32/277894132.db2.gz OEYVCKWFOVXQSF-KEYYUXOJSA-N 0 0 304.438 3.115 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000456132782 277916895 /nfs/dbraw/zinc/91/68/95/277916895.db2.gz SCDYAIZOJJDQPZ-SGMGOOAPSA-N 0 0 307.356 3.405 10 30 DGEERN CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](C)c1cccnc1 ZINC000115229781 278997711 /nfs/dbraw/zinc/99/77/11/278997711.db2.gz SOOUTBJXTMNBIE-OAHLLOKOSA-N 0 0 307.397 3.496 10 30 DGEERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)o1 ZINC000329264622 279021524 /nfs/dbraw/zinc/02/15/24/279021524.db2.gz GTOSWMLXURZBAA-DMDPSCGWSA-N 0 0 322.409 3.081 10 30 DGEERN C[C@@H]1CN(C)c2ccccc2CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301573638 288112424 /nfs/dbraw/zinc/11/24/24/288112424.db2.gz PEEPVZGMEDQOLS-CYBMUJFWSA-N 0 0 322.368 3.311 10 30 DGEERN N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109124404 431170930 /nfs/dbraw/zinc/17/09/30/431170930.db2.gz ZAEFBHMWXUXOEB-UONOGXRCSA-N 0 0 304.340 3.221 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 ZINC000110315074 431186641 /nfs/dbraw/zinc/18/66/41/431186641.db2.gz BQYDVWCUFJTXLU-DOTOQJQBSA-N 0 0 312.413 3.449 10 30 DGEERN Cc1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000000493669 431194683 /nfs/dbraw/zinc/19/46/83/431194683.db2.gz YHHMOFBXKAZYNE-LDADJPATSA-N 0 0 312.442 3.382 10 30 DGEERN Cc1cc(O[C@H](C)C(=O)N[C@H](C#N)C2CC2)ccc1C(C)C ZINC000108830906 431156387 /nfs/dbraw/zinc/15/63/87/431156387.db2.gz LLGRPGCNHGOFNG-CXAGYDPISA-N 0 0 300.402 3.304 10 30 DGEERN N#C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)C1CC1 ZINC000108839539 431157512 /nfs/dbraw/zinc/15/75/12/431157512.db2.gz STLMHHIGIKCCGT-NSHDSACASA-N 0 0 319.158 3.227 10 30 DGEERN Cc1c(C(=O)N(C)[C@@H](C)CC#N)cnn1-c1ccccc1Cl ZINC000069702739 431212312 /nfs/dbraw/zinc/21/23/12/431212312.db2.gz VJIGJFCSTDRTKC-NSHDSACASA-N 0 0 316.792 3.208 10 30 DGEERN C=CCN(CC=C)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113021722 431322152 /nfs/dbraw/zinc/32/21/52/431322152.db2.gz GFRMVUKWLMBAGZ-UHFFFAOYSA-N 0 0 300.333 3.224 10 30 DGEERN CC(C)(C#N)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219355 431333606 /nfs/dbraw/zinc/33/36/06/431333606.db2.gz SVBUWLRNSIVHFO-HNNXBMFYSA-N 0 0 322.412 3.332 10 30 DGEERN N#Cc1ccsc1NC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000114494266 431395324 /nfs/dbraw/zinc/39/53/24/431395324.db2.gz YWXXDHVWRJWKJR-QGZVFWFLSA-N 0 0 315.442 3.381 10 30 DGEERN CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](C)c1cccnc1 ZINC000115223745 431441054 /nfs/dbraw/zinc/44/10/54/431441054.db2.gz RHOHBJNIUAONFH-HNNXBMFYSA-N 0 0 323.396 3.136 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2coc(Br)c2)C1 ZINC000116813590 431530807 /nfs/dbraw/zinc/53/08/07/431530807.db2.gz KJDDXLSICYLBAM-NOZJJQNGSA-N 0 0 311.179 3.244 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(Br)cc1OC ZINC000076485380 431553390 /nfs/dbraw/zinc/55/33/90/431553390.db2.gz NTUJYZUFZJVNNF-UHFFFAOYSA-N 0 0 312.207 3.496 10 30 DGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000117598596 431570896 /nfs/dbraw/zinc/57/08/96/431570896.db2.gz NQKKSSZGEVOGGK-UGSOOPFHSA-N 0 0 306.365 3.081 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1ccccc1OC1CCC1 ZINC000118266321 431594839 /nfs/dbraw/zinc/59/48/39/431594839.db2.gz GDNHCZGEMFNKSA-CQSZACIVSA-N 0 0 303.402 3.215 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000077448493 431596048 /nfs/dbraw/zinc/59/60/48/431596048.db2.gz ZLMBVNSRJRFJGA-UHFFFAOYSA-N 0 0 304.390 3.222 10 30 DGEERN COc1ccc(Cl)cc1NCC(=O)Nc1ccccc1C#N ZINC000015086495 431603539 /nfs/dbraw/zinc/60/35/39/431603539.db2.gz BFWRPJUZGHQFHJ-UHFFFAOYSA-N 0 0 315.760 3.271 10 30 DGEERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)Cc1cccc(C#N)c1 ZINC000026325280 431670238 /nfs/dbraw/zinc/67/02/38/431670238.db2.gz INXPZHHIYDCSNS-JKSUJKDBSA-N 0 0 321.424 3.256 10 30 DGEERN C=CCCCN(C)C(=O)c1ccccc1CSc1nc[nH]n1 ZINC000119359207 431682240 /nfs/dbraw/zinc/68/22/40/431682240.db2.gz YXCNLQMEXPWYDF-UHFFFAOYSA-N 0 0 316.430 3.135 10 30 DGEERN CC(C)CCO[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000119424519 431688007 /nfs/dbraw/zinc/68/80/07/431688007.db2.gz BQHHOBBKOVZHJI-ZDUSSCGKSA-N 0 0 322.355 3.114 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCc2occc21 ZINC000119521467 431701872 /nfs/dbraw/zinc/70/18/72/431701872.db2.gz CEOQDJNMHBXDFM-WFASDCNBSA-N 0 0 310.353 3.112 10 30 DGEERN C[C@@H](CC(=O)N[C@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000121079517 431743202 /nfs/dbraw/zinc/74/32/02/431743202.db2.gz BHIHJZOQKDTSMY-IINYFYTJSA-N 0 0 321.218 3.361 10 30 DGEERN N#Cc1ccc2ncc(CNc3cccc(-c4cnco4)c3)n2c1 ZINC000119741121 431715672 /nfs/dbraw/zinc/71/56/72/431715672.db2.gz PSQXSYJGVVVXHJ-UHFFFAOYSA-N 0 0 315.336 3.473 10 30 DGEERN C=CCn1c2ccccc2nc1SCC(=O)Nc1ccncc1 ZINC000119883951 431718447 /nfs/dbraw/zinc/71/84/47/431718447.db2.gz DSNFUSWUXKDNRT-UHFFFAOYSA-N 0 0 324.409 3.348 10 30 DGEERN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(C#N)cn1C ZINC000081602782 431793949 /nfs/dbraw/zinc/79/39/49/431793949.db2.gz OGMUJODBXKUBCL-UHFFFAOYSA-N 0 0 321.302 3.188 10 30 DGEERN COc1ccc(C2(NC(=O)c3cc(C#N)cn3C)CCCC2)cc1 ZINC000081729444 431800341 /nfs/dbraw/zinc/80/03/41/431800341.db2.gz BEXFHHHVBWAAKW-UHFFFAOYSA-N 0 0 323.396 3.105 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121557526 431802859 /nfs/dbraw/zinc/80/28/59/431802859.db2.gz QPNMAYVZIADLCA-DZGCQCFKSA-N 0 0 303.402 3.386 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)C1CCOCC1 ZINC000121840197 431804784 /nfs/dbraw/zinc/80/47/84/431804784.db2.gz HCRUDLKJXTXMJW-AWEZNQCLSA-N 0 0 305.393 3.403 10 30 DGEERN O[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924643 431807704 /nfs/dbraw/zinc/80/77/04/431807704.db2.gz CQZFMAQTGWBIHM-UWVGGRQHSA-N 0 0 319.220 3.332 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083654014 431811593 /nfs/dbraw/zinc/81/15/93/431811593.db2.gz QFFJAFOMZYCICZ-UONOGXRCSA-N 0 0 318.417 3.167 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000080974639 431778748 /nfs/dbraw/zinc/77/87/48/431778748.db2.gz GAMUYZIUOUOULE-CYBMUJFWSA-N 0 0 315.373 3.003 10 30 DGEERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(C#N)cn1C ZINC000081031977 431783165 /nfs/dbraw/zinc/78/31/65/431783165.db2.gz MZCOESGZHPXUIB-UHFFFAOYSA-N 0 0 322.195 3.476 10 30 DGEERN N#Cc1cc(NCC(=O)Nc2ccccc2F)ccc1Cl ZINC000122480686 431835292 /nfs/dbraw/zinc/83/52/92/431835292.db2.gz LTTWMPBKPPHTSQ-UHFFFAOYSA-N 0 0 303.724 3.401 10 30 DGEERN N#Cc1csc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000092095019 431907707 /nfs/dbraw/zinc/90/77/07/431907707.db2.gz GRTDBLSHJPISMG-MLGOLLRUSA-N 0 0 320.364 3.206 10 30 DGEERN C=CCN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000092261484 431908816 /nfs/dbraw/zinc/90/88/16/431908816.db2.gz YOTSAQDPUCKSSX-UHFFFAOYSA-N 0 0 302.381 3.394 10 30 DGEERN C=C(Br)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000125017157 431911120 /nfs/dbraw/zinc/91/11/20/431911120.db2.gz FUGJXOLBFJECGL-JTQLQIEISA-N 0 0 300.196 3.263 10 30 DGEERN C=CCSCCNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000125262885 431919155 /nfs/dbraw/zinc/91/91/55/431919155.db2.gz RLGUUEWJJHZJGB-HNNXBMFYSA-N 0 0 306.475 3.487 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000125256627 431919815 /nfs/dbraw/zinc/91/98/15/431919815.db2.gz PLCQRALCBYZSKT-GDBMZVCRSA-N 0 0 324.428 3.152 10 30 DGEERN C=CCn1c(SCC(=O)[C@H](C)CC)nnc1-c1ccncc1 ZINC000089662452 431874945 /nfs/dbraw/zinc/87/49/45/431874945.db2.gz HGPUZMVKUOBPDB-GFCCVEGCSA-N 0 0 316.430 3.233 10 30 DGEERN Cn1cccc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091050499 431900165 /nfs/dbraw/zinc/90/01/65/431900165.db2.gz XCWJKLYEORJINN-UHFFFAOYSA-N 0 0 315.376 3.494 10 30 DGEERN CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101270 431903121 /nfs/dbraw/zinc/90/31/21/431903121.db2.gz SLSXJFPNGSGWGZ-RTBURBONSA-N 0 0 320.392 3.266 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000046971824 431903841 /nfs/dbraw/zinc/90/38/41/431903841.db2.gz CPBQRGTYJWFTMN-PBHICJAKSA-N 0 0 315.417 3.047 10 30 DGEERN C[C@@H]1CC(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](C)O1 ZINC000091855927 431905143 /nfs/dbraw/zinc/90/51/43/431905143.db2.gz ANJRFSSSHAHPGA-VXGBXAGGSA-N 0 0 303.406 3.257 10 30 DGEERN COc1ccc(S[C@H](C)C(=O)NC2(C#N)CCCC2)cc1 ZINC000124832269 431906199 /nfs/dbraw/zinc/90/61/99/431906199.db2.gz AAEMBPUVOKIPQN-GFCCVEGCSA-N 0 0 304.415 3.128 10 30 DGEERN CCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccc(C)cc1 ZINC000127487491 431973779 /nfs/dbraw/zinc/97/37/79/431973779.db2.gz BFZBFFZRLJPMQM-UHFFFAOYSA-N 0 0 322.397 3.086 10 30 DGEERN N#Cc1ccc([C@H](O)C[N@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000127525507 431973967 /nfs/dbraw/zinc/97/39/67/431973967.db2.gz RCMDWZADMOCIBH-QGZVFWFLSA-N 0 0 310.422 3.442 10 30 DGEERN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000048652196 431929477 /nfs/dbraw/zinc/92/94/77/431929477.db2.gz DIMZQDLNVWSQSQ-UHFFFAOYSA-N 0 0 306.774 3.321 10 30 DGEERN CC(C)(C)c1ccc(OCC(=O)N(CCC#N)CCC#N)cc1 ZINC000049890995 431943924 /nfs/dbraw/zinc/94/39/24/431943924.db2.gz QCODXTKRIGCQAM-UHFFFAOYSA-N 0 0 313.401 3.019 10 30 DGEERN Cc1nccn1-c1ccc([C@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000126546652 431953394 /nfs/dbraw/zinc/95/33/94/431953394.db2.gz WRSZUJNHJDKNNT-LBPRGKRZSA-N 0 0 304.357 3.016 10 30 DGEERN COC(=O)CCCCCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000097438590 431969698 /nfs/dbraw/zinc/96/96/98/431969698.db2.gz MRLDZEOEEXFAKL-UHFFFAOYSA-N 0 0 323.780 3.067 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCC(C)(C)CC1 ZINC000128173227 431989169 /nfs/dbraw/zinc/98/91/69/431989169.db2.gz QIINVZRQDRCJDX-CYBMUJFWSA-N 0 0 300.402 3.411 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)C(=O)OC ZINC000191505687 432270763 /nfs/dbraw/zinc/27/07/63/432270763.db2.gz YPTVMTZIKVPXLZ-ZDUSSCGKSA-N 0 0 318.417 3.469 10 30 DGEERN Cn1c(=O)c2sccc2nc1SCC#Cc1ccccc1 ZINC000191751897 432298341 /nfs/dbraw/zinc/29/83/41/432298341.db2.gz HEXVSTIQSNYHSV-UHFFFAOYSA-N 0 0 312.419 3.139 10 30 DGEERN COc1ccccc1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102808397 431998573 /nfs/dbraw/zinc/99/85/73/431998573.db2.gz KZYVSBDKGIWJCC-MOSHPQCFSA-N 0 0 321.380 3.244 10 30 DGEERN COc1cccc([C@H]2CN(CC#Cc3ccccc3)CCO2)c1 ZINC000192076546 432331179 /nfs/dbraw/zinc/33/11/79/432331179.db2.gz PAEATHOOPOSFMA-HXUWFJFHSA-N 0 0 307.393 3.120 10 30 DGEERN O[C@@H]1C[C@H](c2cc(F)ccc2F)N(CC#Cc2ccccc2)C1 ZINC000192125606 432335651 /nfs/dbraw/zinc/33/56/51/432335651.db2.gz IVXXRQNLWQTVFI-VQIMIIECSA-N 0 0 313.347 3.124 10 30 DGEERN CCc1cccc(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000183942426 432336153 /nfs/dbraw/zinc/33/61/53/432336153.db2.gz ZRFWLYFVWOFMKG-NRFANRHFSA-N 0 0 318.420 3.359 10 30 DGEERN C[C@@H](NCC#Cc1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000192185434 432342552 /nfs/dbraw/zinc/34/25/52/432342552.db2.gz ONCOIKIPGKVBFG-MRXNPFEDSA-N 0 0 317.392 3.363 10 30 DGEERN COc1ccc([C@H](C)C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000174402460 432344203 /nfs/dbraw/zinc/34/42/03/432344203.db2.gz XLQRCTVYGGDYMZ-LBPRGKRZSA-N 0 0 312.344 3.126 10 30 DGEERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000184057808 432350543 /nfs/dbraw/zinc/35/05/43/432350543.db2.gz ZSJPUARNCTYKNR-ZDUSSCGKSA-N 0 0 311.341 3.484 10 30 DGEERN C[C@@H]1CN(CCCSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000173899569 432306568 /nfs/dbraw/zinc/30/65/68/432306568.db2.gz LAOIDNKEWAADJY-CZUORRHYSA-N 0 0 308.422 3.234 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2c(F)cccc2Cl)cc1 ZINC000173906061 432306689 /nfs/dbraw/zinc/30/66/89/432306689.db2.gz YGYRJPVBPPVICT-UHFFFAOYSA-N 0 0 318.735 3.160 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000183595261 432306881 /nfs/dbraw/zinc/30/68/81/432306881.db2.gz XCICJRKESPKYCB-LBPRGKRZSA-N 0 0 312.797 3.186 10 30 DGEERN CC[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173905631 432307334 /nfs/dbraw/zinc/30/73/34/432307334.db2.gz UMYNKYWXPSLXER-GOSISDBHSA-N 0 0 308.381 3.247 10 30 DGEERN C[C@H]1CC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)C1 ZINC000183654464 432312580 /nfs/dbraw/zinc/31/25/80/432312580.db2.gz BUOFUDGCAPFILI-CHWSQXEVSA-N 0 0 323.400 3.150 10 30 DGEERN CCc1ccsc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183677628 432315650 /nfs/dbraw/zinc/31/56/50/432315650.db2.gz WPLTUOMMWSGSOU-UHFFFAOYSA-N 0 0 323.381 3.015 10 30 DGEERN COc1ccc(COc2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000153084486 432382458 /nfs/dbraw/zinc/38/24/58/432382458.db2.gz MXXFFHXMBQIHGT-UHFFFAOYSA-N 0 0 322.364 3.494 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000252952339 432388640 /nfs/dbraw/zinc/38/86/40/432388640.db2.gz NLEUADNJGIYDTE-RDBSUJKOSA-N 0 0 314.212 3.150 10 30 DGEERN C=CC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000253232699 432389842 /nfs/dbraw/zinc/38/98/42/432389842.db2.gz GCHWXIVXJPICPN-GBESFXJTSA-N 0 0 307.393 3.121 10 30 DGEERN COC(=O)c1sc(C)cc1OCc1ccc(OC)c(C#N)c1 ZINC000153307654 432398905 /nfs/dbraw/zinc/39/89/05/432398905.db2.gz BVANDGHYZZJGNI-UHFFFAOYSA-N 0 0 317.366 3.302 10 30 DGEERN CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)cc1C ZINC000184120461 432358461 /nfs/dbraw/zinc/35/84/61/432358461.db2.gz WTHZADRJEJCHMT-UHFFFAOYSA-N 0 0 316.401 3.061 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000153654285 432429703 /nfs/dbraw/zinc/42/97/03/432429703.db2.gz QPVSUELQFPMFEX-LBPRGKRZSA-N 0 0 310.401 3.309 10 30 DGEERN C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCO1 ZINC000193046768 432441819 /nfs/dbraw/zinc/44/18/19/432441819.db2.gz ZZPDDNCHGMPKHV-SWLSCSKDSA-N 0 0 301.390 3.177 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NCCc1ccsc1 ZINC000184634598 432414061 /nfs/dbraw/zinc/41/40/61/432414061.db2.gz YTUYJUWQMWBWIN-UHFFFAOYSA-N 0 0 317.410 3.294 10 30 DGEERN CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)C(C)C)cc1C#N ZINC000153541906 432418324 /nfs/dbraw/zinc/41/83/24/432418324.db2.gz AXMOELQBYIYAKV-LLVKDONJSA-N 0 0 318.377 3.293 10 30 DGEERN CCC(C)(CC)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184677523 432419541 /nfs/dbraw/zinc/41/95/41/432419541.db2.gz KTGKZPNJQFSGIK-UHFFFAOYSA-N 0 0 300.811 3.069 10 30 DGEERN Cc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1C#N ZINC000193480589 432475831 /nfs/dbraw/zinc/47/58/31/432475831.db2.gz PHSCLAZBLZOQRQ-UHFFFAOYSA-N 0 0 311.366 3.149 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000185263158 432484621 /nfs/dbraw/zinc/48/46/21/432484621.db2.gz KAICLSCQBZUBNC-MRXNPFEDSA-N 0 0 301.430 3.453 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176192525 432499782 /nfs/dbraw/zinc/49/97/82/432499782.db2.gz GYLZOHSSNREMIB-WBMJQRKESA-N 0 0 311.360 3.259 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)O[C@H](C#N)C(C)(C)C)C1 ZINC000154607482 432509642 /nfs/dbraw/zinc/50/96/42/432509642.db2.gz KUDOOSHASVTICR-QWHCGFSZSA-N 0 0 324.421 3.115 10 30 DGEERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCCC1 ZINC000185046932 432460616 /nfs/dbraw/zinc/46/06/16/432460616.db2.gz ATKQPWYYIKKYIJ-CQSZACIVSA-N 0 0 315.373 3.116 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000185578624 432511983 /nfs/dbraw/zinc/51/19/83/432511983.db2.gz ISZQCAAPXFEMTQ-AWEZNQCLSA-N 0 0 320.408 3.085 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCCc1cc(OC)ccc1OC ZINC000185951491 432549579 /nfs/dbraw/zinc/54/95/79/432549579.db2.gz NWUPRXHDMSKYQJ-AWEZNQCLSA-N 0 0 305.418 3.355 10 30 DGEERN C#C[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000186009858 432553393 /nfs/dbraw/zinc/55/33/93/432553393.db2.gz DFAIASYOUATLBW-CHWSQXEVSA-N 0 0 305.447 3.177 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)ccc1O ZINC000186010561 432553607 /nfs/dbraw/zinc/55/36/07/432553607.db2.gz JHENNMOLSROXBO-NSHDSACASA-N 0 0 323.331 3.157 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@@H]2OC)nc2sccc2c1=O ZINC000273142715 432556973 /nfs/dbraw/zinc/55/69/73/432556973.db2.gz UJSONUPFCIGQDX-RYUDHWBXSA-N 0 0 322.455 3.304 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)s1 ZINC000176454766 432523563 /nfs/dbraw/zinc/52/35/63/432523563.db2.gz OAPFSHAKCWLULG-VIFPVBQESA-N 0 0 319.361 3.422 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000185873380 432541115 /nfs/dbraw/zinc/54/11/15/432541115.db2.gz KLXDJOAOYSORGN-CQSZACIVSA-N 0 0 319.405 3.424 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000185909190 432545010 /nfs/dbraw/zinc/54/50/10/432545010.db2.gz HQYQJKJFBNQLCB-CQSZACIVSA-N 0 0 306.365 3.055 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000185943438 432548338 /nfs/dbraw/zinc/54/83/38/432548338.db2.gz MKGRNVIOCDTXCQ-GXFFZTMASA-N 0 0 316.228 3.225 10 30 DGEERN CCCCOC[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195160281 432608985 /nfs/dbraw/zinc/60/89/85/432608985.db2.gz RINAPKVOCJXDGZ-MAUKXSAKSA-N 0 0 304.434 3.119 10 30 DGEERN C=C1CCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000264069084 432610811 /nfs/dbraw/zinc/61/08/11/432610811.db2.gz FTDIUHNDYGUDQR-UHFFFAOYSA-N 0 0 316.788 3.446 10 30 DGEERN CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000186608631 432613708 /nfs/dbraw/zinc/61/37/08/432613708.db2.gz OZSHFETXYBMRGB-QMTHXVAHSA-N 0 0 312.822 3.021 10 30 DGEERN CCN(C(=O)[C@H]1CCOC[C@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000194757712 432573607 /nfs/dbraw/zinc/57/36/07/432573607.db2.gz MMNPLSVMRLVLAA-RISCZKNCSA-N 0 0 306.793 3.237 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194782837 432576330 /nfs/dbraw/zinc/57/63/30/432576330.db2.gz JTFBYZOLJQJOMS-OAUYIBNBSA-N 0 0 324.355 3.137 10 30 DGEERN N#Cc1csc(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000177110240 432586574 /nfs/dbraw/zinc/58/65/74/432586574.db2.gz ZVJIPIQEIVWUBB-LLVKDONJSA-N 0 0 303.412 3.444 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(C#N)c1 ZINC000195039082 432596636 /nfs/dbraw/zinc/59/66/36/432596636.db2.gz GMSWSRAYLLHHIY-UHFFFAOYSA-N 0 0 317.801 3.497 10 30 DGEERN C=C(C)CNC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000156408849 432596751 /nfs/dbraw/zinc/59/67/51/432596751.db2.gz IOZLKLUJJONZJB-CQSZACIVSA-N 0 0 321.852 3.304 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000186487884 432600343 /nfs/dbraw/zinc/60/03/43/432600343.db2.gz ZYTZTYMMPPOCTB-QWHCGFSZSA-N 0 0 324.384 3.132 10 30 DGEERN CCCN(Cc1nnc(C(C)C)n1C)Cc1ccc(C#N)cc1 ZINC000195080593 432600577 /nfs/dbraw/zinc/60/05/77/432600577.db2.gz PRXOFEDAUVJEPH-UHFFFAOYSA-N 0 0 311.433 3.222 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1cc(O)ccc1OC ZINC000186659408 432619865 /nfs/dbraw/zinc/61/98/65/432619865.db2.gz HTTADIYSUCJFKO-UHFFFAOYSA-N 0 0 304.390 3.193 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)n1cnc2ccccc21 ZINC000264181058 432623695 /nfs/dbraw/zinc/62/36/95/432623695.db2.gz LOGFKKWRAVQLHO-NSHDSACASA-N 0 0 311.307 3.174 10 30 DGEERN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(C#N)cn2C)s1 ZINC000177446133 432624887 /nfs/dbraw/zinc/62/48/87/432624887.db2.gz FEFIZHDEGICFNS-LLVKDONJSA-N 0 0 316.430 3.057 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)n1 ZINC000177501874 432631245 /nfs/dbraw/zinc/63/12/45/432631245.db2.gz MEOBHOROUSHSSA-LBPRGKRZSA-N 0 0 317.439 3.405 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186808723 432632363 /nfs/dbraw/zinc/63/23/63/432632363.db2.gz DFPNCOVHBFLJEJ-GUYCJALGSA-N 0 0 315.392 3.367 10 30 DGEERN CC(=O)Nc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000186894635 432634906 /nfs/dbraw/zinc/63/49/06/432634906.db2.gz DKDCOYCQBZUISQ-UHFFFAOYSA-N 0 0 319.364 3.187 10 30 DGEERN CC(=O)Nc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000186952108 432638351 /nfs/dbraw/zinc/63/83/51/432638351.db2.gz BKGZCRAAJPHFJO-UHFFFAOYSA-N 0 0 319.364 3.187 10 30 DGEERN CS[C@@H]1CCC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000187089669 432645517 /nfs/dbraw/zinc/64/55/17/432645517.db2.gz XJHGYZGAABSKBW-HZPDHXFCSA-N 0 0 314.454 3.380 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000274292704 432647390 /nfs/dbraw/zinc/64/73/90/432647390.db2.gz OSRCYSOQZHHJIC-HNNXBMFYSA-N 0 0 301.434 3.290 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCCC1(C)C ZINC000157324770 432618363 /nfs/dbraw/zinc/61/83/63/432618363.db2.gz MXBFCHXNDOCZIR-BBRMVZONSA-N 0 0 300.402 3.411 10 30 DGEERN N#CCc1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1 ZINC000187911283 432694042 /nfs/dbraw/zinc/69/40/42/432694042.db2.gz OHGPDRDQCLTRHL-UHFFFAOYSA-N 0 0 311.288 3.480 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccc4ncsc4c3)n2c1 ZINC000178193642 432706098 /nfs/dbraw/zinc/70/60/98/432706098.db2.gz WQESVVYHMLOPKH-UHFFFAOYSA-N 0 0 305.366 3.428 10 30 DGEERN C=CCCCN(C)C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000265522094 432706550 /nfs/dbraw/zinc/70/65/50/432706550.db2.gz PDTJXNODFOUQIW-UHFFFAOYSA-N 0 0 321.417 3.070 10 30 DGEERN N#Cc1cccc(OCCSc2nc(C3CC3)cc(=O)[nH]2)c1 ZINC000188141785 432708085 /nfs/dbraw/zinc/70/80/85/432708085.db2.gz MJAUWUWVEZREEY-UHFFFAOYSA-N 0 0 313.382 3.102 10 30 DGEERN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000274932048 432721090 /nfs/dbraw/zinc/72/10/90/432721090.db2.gz OQKBOKYOFGBGMO-LBPRGKRZSA-N 0 0 301.394 3.012 10 30 DGEERN CCN(C(=O)c1cn2ccnc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000188372440 432722397 /nfs/dbraw/zinc/72/23/97/432722397.db2.gz SLDWZRCFSUPKGT-GFCCVEGCSA-N 0 0 324.409 3.491 10 30 DGEERN CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1nccs1 ZINC000177900950 432671940 /nfs/dbraw/zinc/67/19/40/432671940.db2.gz SLVIZUDGYKXLRT-NSHDSACASA-N 0 0 304.350 3.427 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCN(C(=O)[C@H](C)CC(=C)C)C1CC1 ZINC000274476334 432672198 /nfs/dbraw/zinc/67/21/98/432672198.db2.gz OQYBSZRRYFBDBV-HZPDHXFCSA-N 0 0 320.477 3.298 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(O)ccc1OC ZINC000187729525 432679139 /nfs/dbraw/zinc/67/91/39/432679139.db2.gz JCKCOGAFUFFEKR-UHFFFAOYSA-N 0 0 324.380 3.325 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NCc1cn2c(n1)CCCC2 ZINC000265271123 432683904 /nfs/dbraw/zinc/68/39/04/432683904.db2.gz UTWYHGQJAJVVCT-UHFFFAOYSA-N 0 0 321.306 3.117 10 30 DGEERN C[C@H](NCc1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1 ZINC000178050536 432689830 /nfs/dbraw/zinc/68/98/30/432689830.db2.gz NLKZVQQKGKHACP-ZDUSSCGKSA-N 0 0 321.359 3.129 10 30 DGEERN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1nccs1 ZINC000161113992 432759606 /nfs/dbraw/zinc/75/96/06/432759606.db2.gz DJHJPCOTKYTZIG-AAEUAGOBSA-N 0 0 314.414 3.083 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000161437124 432780324 /nfs/dbraw/zinc/78/03/24/432780324.db2.gz SLBIRPDRACDQKP-QGZVFWFLSA-N 0 0 319.408 3.123 10 30 DGEERN C=CCC[C@@H](C(=O)N[C@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000188481412 432727004 /nfs/dbraw/zinc/72/70/04/432727004.db2.gz ZTVZCPJYOUYBGI-SJORKVTESA-N 0 0 324.428 3.288 10 30 DGEERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000230344060 432728038 /nfs/dbraw/zinc/72/80/38/432728038.db2.gz VAOVOOIQBDVANB-CHWSQXEVSA-N 0 0 312.460 3.113 10 30 DGEERN C#CCN(C(=O)N[C@H]1CCOc2c(C)cccc21)C1CCCC1 ZINC000188635296 432734886 /nfs/dbraw/zinc/73/48/86/432734886.db2.gz HMHLVABKPWMATN-KRWDZBQOSA-N 0 0 312.413 3.406 10 30 DGEERN CC(C)(C#N)CCCCS(=O)(=O)c1ccc(F)c(F)c1 ZINC000232522999 432736499 /nfs/dbraw/zinc/73/64/99/432736499.db2.gz UXRDLDCLMOSGKS-UHFFFAOYSA-N 0 0 301.358 3.459 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(SC)CC1 ZINC000188704305 432740328 /nfs/dbraw/zinc/74/03/28/432740328.db2.gz XCQKFCCWSVMIKK-UHFFFAOYSA-N 0 0 306.387 3.005 10 30 DGEERN C=C(CSc1nncn1[C@@H](C)c1ccccc1)C(=O)OCC ZINC000276603025 432822710 /nfs/dbraw/zinc/82/27/10/432822710.db2.gz KSSKWAWEIQYXNQ-ZDUSSCGKSA-N 0 0 317.414 3.099 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000267239013 432826008 /nfs/dbraw/zinc/82/60/08/432826008.db2.gz XFOCVNUFULLCLK-OAHLLOKOSA-N 0 0 302.418 3.137 10 30 DGEERN C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)o2)CCCN1C(=O)OC(C)(C)C ZINC000189523901 432796586 /nfs/dbraw/zinc/79/65/86/432796586.db2.gz FOEHPHWSUMBWGG-SWLSCSKDSA-N 0 0 319.405 3.029 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](COC)OC ZINC000276445161 432809041 /nfs/dbraw/zinc/80/90/41/432809041.db2.gz SHLAPDKMXBEZGP-OAHLLOKOSA-N 0 0 320.433 3.321 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000189680689 432810155 /nfs/dbraw/zinc/81/01/55/432810155.db2.gz AQQLOKBHPVNIFG-IBGZPJMESA-N 0 0 312.413 3.281 10 30 DGEERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330151556 432895423 /nfs/dbraw/zinc/89/54/23/432895423.db2.gz WFVFOQIZLXTPSK-QHSBEEBCSA-N 0 0 323.462 3.128 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000288525627 432894205 /nfs/dbraw/zinc/89/42/05/432894205.db2.gz SWNBKGRFKSJZLG-KRWDZBQOSA-N 0 0 317.816 3.149 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000277431440 432849075 /nfs/dbraw/zinc/84/90/75/432849075.db2.gz MYKGPPUSZGEACH-HNNXBMFYSA-N 0 0 301.386 3.142 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000330151408 432895247 /nfs/dbraw/zinc/89/52/47/432895247.db2.gz WEKVTGXECJRJLC-WBMJQRKESA-N 0 0 304.390 3.050 10 30 DGEERN C#Cc1ccc(CNC(=O)NC[C@@H](C)c2nc(C)cs2)cc1 ZINC000296787231 432927119 /nfs/dbraw/zinc/92/71/19/432927119.db2.gz WEARLELNOKDHNT-GFCCVEGCSA-N 0 0 313.426 3.036 10 30 DGEERN C#Cc1ccc(CNC(=O)NC[C@H](C)c2nc(C)cs2)cc1 ZINC000296787234 432927245 /nfs/dbraw/zinc/92/72/45/432927245.db2.gz WEARLELNOKDHNT-LBPRGKRZSA-N 0 0 313.426 3.036 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000296818257 432928128 /nfs/dbraw/zinc/92/81/28/432928128.db2.gz CJXQADRNVNEYTF-IAGOWNOFSA-N 0 0 300.402 3.186 10 30 DGEERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCO[C@@H]2CCC[C@H]21 ZINC000330213572 432897554 /nfs/dbraw/zinc/89/75/54/432897554.db2.gz FMSYIJWWHSLUNF-BZUAXINKSA-N 0 0 322.449 3.036 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000278654492 432898524 /nfs/dbraw/zinc/89/85/24/432898524.db2.gz DXJMPZFQITUCPG-BFYDXBDKSA-N 0 0 319.376 3.137 10 30 DGEERN O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330257538 432901180 /nfs/dbraw/zinc/90/11/80/432901180.db2.gz LPRCWYKKVPTKLI-GOEBONIOSA-N 0 0 315.417 3.028 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000296480093 432913310 /nfs/dbraw/zinc/91/33/10/432913310.db2.gz YIRXTTMJIRGIPU-ROUUACIJSA-N 0 0 317.429 3.033 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000278911150 432916795 /nfs/dbraw/zinc/91/67/95/432916795.db2.gz ZYBTVYNXWKXLJA-ZJPYXAASSA-N 0 0 315.413 3.004 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)CCC1 ZINC000297213718 432976742 /nfs/dbraw/zinc/97/67/42/432976742.db2.gz ZEDNIYLZSGVTAI-HZPDHXFCSA-N 0 0 300.402 3.164 10 30 DGEERN CCC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000155352101 292705169 /nfs/dbraw/zinc/70/51/69/292705169.db2.gz YAMLYZAYPJMCAA-CABCVRRESA-N 0 0 300.402 3.364 10 30 DGEERN C=CCOc1ccc(CC(=O)NC(C)(C)C(F)(F)F)cc1 ZINC000297715752 433010496 /nfs/dbraw/zinc/01/04/96/433010496.db2.gz GPSHPUZICGGUOP-UHFFFAOYSA-N 0 0 301.308 3.251 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CC(=C)C)Cc1ccccc1 ZINC000297938707 433034411 /nfs/dbraw/zinc/03/44/11/433034411.db2.gz FDNKKSBGBXCQMO-UHFFFAOYSA-N 0 0 314.429 3.016 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)nc(-c2ccccn2)n1 ZINC000280520372 433067876 /nfs/dbraw/zinc/06/78/76/433067876.db2.gz DUGLBWPSBXMCQO-YOEHRIQHSA-N 0 0 310.401 3.240 10 30 DGEERN Cc1cc([C@H]2CCCN2C(=O)NCC2CCC(C#N)CC2)no1 ZINC000373005960 433073723 /nfs/dbraw/zinc/07/37/23/433073723.db2.gz QLLQSKVUYWYZSL-ZBCRRDGASA-N 0 0 316.405 3.160 10 30 DGEERN Cc1nc(-c2ccc(C)c(NC(=O)c3sccc3C#N)c2)n[nH]1 ZINC000361286070 433082753 /nfs/dbraw/zinc/08/27/53/433082753.db2.gz AMCAINJHVHUFRL-UHFFFAOYSA-N 0 0 323.381 3.274 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@H]2CCCC[C@H]2CC(F)(F)F)C1=O ZINC000420047713 433102102 /nfs/dbraw/zinc/10/21/02/433102102.db2.gz SAXRTPOEHVIMIW-TUAOUCFPSA-N 0 0 318.339 3.384 10 30 DGEERN C=CC[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000420099025 433111803 /nfs/dbraw/zinc/11/18/03/433111803.db2.gz DZPFYPIUIWQDAK-MLHJIOFPSA-N 0 0 324.424 3.237 10 30 DGEERN C=CC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC000280632289 433115223 /nfs/dbraw/zinc/11/52/23/433115223.db2.gz HEELOPKEEUYPLQ-IXDOHACOSA-N 0 0 315.413 3.194 10 30 DGEERN CC#CCCCC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373606962 433156327 /nfs/dbraw/zinc/15/63/27/433156327.db2.gz DDHVAOQUUQBLMS-ZWKOTPCHSA-N 0 0 307.397 3.038 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC000373640842 433157745 /nfs/dbraw/zinc/15/77/45/433157745.db2.gz SOMDDBWDUIFWPW-UHFFFAOYSA-N 0 0 305.381 3.070 10 30 DGEERN C=CCOCCCC(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000373872961 433165200 /nfs/dbraw/zinc/16/52/00/433165200.db2.gz UPKNDWAOSODPDV-SFHVURJKSA-N 0 0 305.393 3.375 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC000453442668 433185182 /nfs/dbraw/zinc/18/51/82/433185182.db2.gz PZANLLDGNIHWCN-HZPDHXFCSA-N 0 0 316.449 3.498 10 30 DGEERN C=CCn1c(N2CCC[C@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453445299 433190336 /nfs/dbraw/zinc/19/03/36/433190336.db2.gz UOPYSVRLYQOBIL-YOEHRIQHSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453455935 433194969 /nfs/dbraw/zinc/19/49/69/433194969.db2.gz UMMFVOIZDQBMFV-GOSISDBHSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)Cn1c(N2CC[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453462509 433197278 /nfs/dbraw/zinc/19/72/78/433197278.db2.gz HBWAHRVEXSAKKR-RHSMWYFYSA-N 0 0 304.438 3.116 10 30 DGEERN COc1ccc(C#N)cc1CNc1ccc2ccc(=O)n(C)c2c1 ZINC000447406399 433197822 /nfs/dbraw/zinc/19/78/22/433197822.db2.gz DJIBZVGTSDVXRY-UHFFFAOYSA-N 0 0 319.364 3.031 10 30 DGEERN C=C(C)Cn1c(N2CCC=C(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465666 433201159 /nfs/dbraw/zinc/20/11/59/433201159.db2.gz MTVJLTNUPHIZTO-QGZVFWFLSA-N 0 0 302.422 3.036 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(C2CCC2)c1 ZINC000291275367 433233443 /nfs/dbraw/zinc/23/34/43/433233443.db2.gz HPVZKTKRWOPIHH-UHFFFAOYSA-N 0 0 300.402 3.317 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000374962038 433320528 /nfs/dbraw/zinc/32/05/28/433320528.db2.gz KYVAHKVECWNKLC-RHSMWYFYSA-N 0 0 301.386 3.267 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000338845991 433321693 /nfs/dbraw/zinc/32/16/93/433321693.db2.gz FWVLGUMCRULJDC-YJBOKZPZSA-N 0 0 318.465 3.407 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(OCCC)c1 ZINC000425619846 433322930 /nfs/dbraw/zinc/32/29/30/433322930.db2.gz MWSXBIUODBDZER-BBRMVZONSA-N 0 0 304.390 3.188 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@](C)(OC)C1 ZINC000338849178 433324228 /nfs/dbraw/zinc/32/42/28/433324228.db2.gz JHJMTHMRUZOMSH-QGZVFWFLSA-N 0 0 316.405 3.120 10 30 DGEERN CCCCCCCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374758736 433271238 /nfs/dbraw/zinc/27/12/38/433271238.db2.gz CVKCZSXHGQONGO-WBVHZDCISA-N 0 0 311.466 3.031 10 30 DGEERN C=CC[C@H](CC)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000281272071 433278786 /nfs/dbraw/zinc/27/87/86/433278786.db2.gz HHBFRSGMHQLYOP-AWEZNQCLSA-N 0 0 302.349 3.494 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000425563288 433302417 /nfs/dbraw/zinc/30/24/17/433302417.db2.gz INXLDXVFZJQTPO-SPUZQDLCSA-N 0 0 314.429 3.165 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2ccsc2)CC1 ZINC000425569746 433305538 /nfs/dbraw/zinc/30/55/38/433305538.db2.gz ZSNXZKGYMUNTMO-HOCLYGCPSA-N 0 0 320.458 3.228 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000425573376 433308291 /nfs/dbraw/zinc/30/82/91/433308291.db2.gz KITPEYDBDPXXHO-PVAVHDDUSA-N 0 0 302.418 3.023 10 30 DGEERN C=CCCCNC(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000448019184 433346274 /nfs/dbraw/zinc/34/62/74/433346274.db2.gz UMTHAYWXKYOOGL-UHFFFAOYSA-N 0 0 308.403 3.267 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(OC(F)F)c1 ZINC000299300837 433358681 /nfs/dbraw/zinc/35/86/81/433358681.db2.gz OKIHPVHQFOFQEZ-UHFFFAOYSA-N 0 0 309.234 3.479 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cccs1)C(C)C ZINC000425862477 433364064 /nfs/dbraw/zinc/36/40/64/433364064.db2.gz XJWYPJUGHPATRN-ZFWWWQNUSA-N 0 0 308.447 3.259 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000299410548 433367346 /nfs/dbraw/zinc/36/73/46/433367346.db2.gz QRMLJVOTVDWUHL-UHFFFAOYSA-N 0 0 316.279 3.040 10 30 DGEERN C=CCCCNC(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000447994376 433340419 /nfs/dbraw/zinc/34/04/19/433340419.db2.gz WKYXDSTZOLYAFI-UHFFFAOYSA-N 0 0 318.808 3.922 10 30 DGEERN C=CCCCNC(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000448001107 433344099 /nfs/dbraw/zinc/34/40/99/433344099.db2.gz SCPZKZDWBPYNAB-UHFFFAOYSA-N 0 0 303.284 3.110 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000448378261 433403449 /nfs/dbraw/zinc/40/34/49/433403449.db2.gz VDDRSXGXEFEIDS-UHFFFAOYSA-N 0 0 308.381 3.375 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H]2CCO[C@H](CC)C2)c1 ZINC000421079272 433423488 /nfs/dbraw/zinc/42/34/88/433423488.db2.gz JIZCJJWQYPLVEW-LSDHHAIUSA-N 0 0 304.390 3.331 10 30 DGEERN C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281957122 433441373 /nfs/dbraw/zinc/44/13/73/433441373.db2.gz FXZBLOPBRLMERZ-LJQANCHMSA-N 0 0 319.452 3.451 10 30 DGEERN C=CCC1(c2nc(-c3ccc4cc[nH]c4n3)no2)CCOCC1 ZINC000351282681 433456069 /nfs/dbraw/zinc/45/60/69/433456069.db2.gz BFCQDRJJPJHGKX-UHFFFAOYSA-N 0 0 310.357 3.237 10 30 DGEERN CC(C)c1noc(CCCNc2ccc(Cl)c(C#N)n2)n1 ZINC000301234133 433463071 /nfs/dbraw/zinc/46/30/71/433463071.db2.gz KWPJJVRXQJGMMZ-UHFFFAOYSA-N 0 0 305.769 3.158 10 30 DGEERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C#N)n1C ZINC000448627714 433463304 /nfs/dbraw/zinc/46/33/04/433463304.db2.gz MBYVMZFGBGKJJO-JTQLQIEISA-N 0 0 303.312 3.008 10 30 DGEERN C=CCNC(=O)c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)nc1 ZINC000301232862 433463453 /nfs/dbraw/zinc/46/34/53/433463453.db2.gz JXGXZNNLHIHGHU-IRXDYDNUSA-N 0 0 307.397 3.213 10 30 DGEERN N#CCc1ccc(CN2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000361981777 433481613 /nfs/dbraw/zinc/48/16/13/433481613.db2.gz CIMBKTLKKBEIPD-HXUWFJFHSA-N 0 0 322.408 3.032 10 30 DGEERN COc1ccc([C@H](O)CNc2cc(C#N)nc3ccccc32)cc1 ZINC000301362115 433522804 /nfs/dbraw/zinc/52/28/04/433522804.db2.gz QSQBWHQNRAJAKU-LJQANCHMSA-N 0 0 319.364 3.261 10 30 DGEERN Cc1cc(C)c2ncc(C#N)c(N(C)CC(=O)NC(C)(C)C)c2c1 ZINC000301368240 433526391 /nfs/dbraw/zinc/52/63/91/433526391.db2.gz TYDBDESLKSWUBL-UHFFFAOYSA-N 0 0 324.428 3.074 10 30 DGEERN Cc1csc(CN(C)c2nc(C(F)(F)F)ccc2C#N)n1 ZINC000301296833 433494177 /nfs/dbraw/zinc/49/41/77/433494177.db2.gz SFEQRJQCOAHYFW-UHFFFAOYSA-N 0 0 312.320 3.373 10 30 DGEERN Cc1cccc(NC2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000301301625 433496653 /nfs/dbraw/zinc/49/66/53/433496653.db2.gz RJXYGRXJVQNALS-UHFFFAOYSA-N 0 0 310.376 3.482 10 30 DGEERN C=CCOc1ccc(C[NH2+]C[C@H](CC)CC(=O)[O-])cc1Cl ZINC000426652365 433553257 /nfs/dbraw/zinc/55/32/57/433553257.db2.gz SPKORGNLKASAGS-GFCCVEGCSA-N 0 0 311.809 3.495 10 30 DGEERN N#Cc1cc(NC[C@H]2CCC[C@@H]2O)nc2ccc(Cl)cc12 ZINC000301476114 433572902 /nfs/dbraw/zinc/57/29/02/433572902.db2.gz STVWGEBCICDVPC-BMIGLBTASA-N 0 0 301.777 3.333 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)Cc1cscn1 ZINC000282247702 433541944 /nfs/dbraw/zinc/54/19/44/433541944.db2.gz KOHVQWOOYMMCAX-UHFFFAOYSA-N 0 0 305.451 3.146 10 30 DGEERN N#CCc1ccc(NC(=O)N2CCC=C(Br)C2)cc1 ZINC000282709858 433628858 /nfs/dbraw/zinc/62/88/58/433628858.db2.gz NAVXUFRTZBFEAL-UHFFFAOYSA-N 0 0 320.190 3.269 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC2CCC1CC2 ZINC000362304616 433631454 /nfs/dbraw/zinc/63/14/54/433631454.db2.gz GXFFQEWJVPDIKQ-PVARCSIZSA-N 0 0 312.413 3.363 10 30 DGEERN C=CCC1(NC(=O)C(=O)c2cnn(C(C)(C)C)c2)CCCCC1 ZINC000456390713 433635722 /nfs/dbraw/zinc/63/57/22/433635722.db2.gz YVNDXYYDYFLTGQ-UHFFFAOYSA-N 0 0 317.433 3.216 10 30 DGEERN Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C#N)n2C)cc1 ZINC000448982625 433640637 /nfs/dbraw/zinc/64/06/37/433640637.db2.gz DCOBMBMOEFPASQ-MRXNPFEDSA-N 0 0 307.397 3.053 10 30 DGEERN C#CCOCCC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000376018721 433641915 /nfs/dbraw/zinc/64/19/15/433641915.db2.gz ZSGSCDWHLSEPPN-SFHVURJKSA-N 0 0 321.367 3.115 10 30 DGEERN C=CCCOCCCCC(=O)NC[C@@H]1CC12CCSCC2 ZINC000421593750 433647811 /nfs/dbraw/zinc/64/78/11/433647811.db2.gz WTKFVUPAGDUWSI-HNNXBMFYSA-N 0 0 311.491 3.399 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000292849314 433601106 /nfs/dbraw/zinc/60/11/06/433601106.db2.gz QIIWOUWODYELCW-HZPDHXFCSA-N 0 0 322.399 3.429 10 30 DGEERN C=C(C)[C@H](NC(=O)[C@@H](C)c1ccnn1C)c1ccc(F)c(F)c1 ZINC000421527085 433610987 /nfs/dbraw/zinc/61/09/87/433610987.db2.gz IJKFJCXVHKEFEH-ZBEGNZNMSA-N 0 0 319.355 3.235 10 30 DGEERN C=CCOc1ccccc1C(=O)NCC1CCC(OC)CC1 ZINC000427082720 433652737 /nfs/dbraw/zinc/65/27/37/433652737.db2.gz XOZMZSAJMJXHDB-UHFFFAOYSA-N 0 0 303.402 3.186 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C#N)C(C)(C)C ZINC000362341733 433653655 /nfs/dbraw/zinc/65/36/55/433653655.db2.gz JAEAZGOYQVKPTJ-CVEARBPZSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1CCCC12CCC2 ZINC000376111180 433666010 /nfs/dbraw/zinc/66/60/10/433666010.db2.gz HMKLDTSKHRZQNN-UHFFFAOYSA-N 0 0 300.402 3.480 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCn2c(cc3ccccc32)C1 ZINC000362382864 433669445 /nfs/dbraw/zinc/66/94/45/433669445.db2.gz FFBAJSLDFOQXHH-LJQANCHMSA-N 0 0 312.413 3.212 10 30 DGEERN CCN(CC(C)(C)C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000362386640 433680518 /nfs/dbraw/zinc/68/05/18/433680518.db2.gz HTAUERBRFFLEED-QGZVFWFLSA-N 0 0 310.438 3.143 10 30 DGEERN C=CCn1c(N2CC(C)(C)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000414527545 433691126 /nfs/dbraw/zinc/69/11/26/433691126.db2.gz MRDFDBOEDZIKKS-DYVFJYSZSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCSc1ccccc1C(=O)Nc1cnc(N(C)C)nc1 ZINC000362419788 433705046 /nfs/dbraw/zinc/70/50/46/433705046.db2.gz PLERPGOQBBLFMW-UHFFFAOYSA-N 0 0 314.414 3.073 10 30 DGEERN C=CCN(C(=O)Cc1cscc1Br)C1CC1 ZINC000293346499 433706782 /nfs/dbraw/zinc/70/67/82/433706782.db2.gz BSPWKHQUQMMKCF-UHFFFAOYSA-N 0 0 300.221 3.230 10 30 DGEERN Cc1cc(NCC(=O)Nc2c(C)cccc2C)c(C#N)c(C)n1 ZINC000301764915 433710678 /nfs/dbraw/zinc/71/06/78/433710678.db2.gz GYBPEFPMEZNCCC-UHFFFAOYSA-N 0 0 308.385 3.238 10 30 DGEERN Cn1c2cc(NC(=O)Nc3ccc(C#N)cc3)ccc2ccc1=O ZINC000362471540 433726820 /nfs/dbraw/zinc/72/68/20/433726820.db2.gz HDCJFUUJUSWNDA-UHFFFAOYSA-N 0 0 318.336 3.054 10 30 DGEERN COc1cc(Nc2cc(C)nc(C)c2C#N)ccc1NC(C)=O ZINC000301794933 433728994 /nfs/dbraw/zinc/72/89/94/433728994.db2.gz SMBZGMFTJWOEQF-UHFFFAOYSA-N 0 0 310.357 3.281 10 30 DGEERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000362541122 433745846 /nfs/dbraw/zinc/74/58/46/433745846.db2.gz NHMVDCUISAXGMY-CYBMUJFWSA-N 0 0 321.380 3.032 10 30 DGEERN C=CCOCCCC(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000456607682 433746885 /nfs/dbraw/zinc/74/68/85/433746885.db2.gz MRAMEISKMVALTH-INIZCTEOSA-N 0 0 302.418 3.057 10 30 DGEERN C=CCC[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)OCC ZINC000456626193 433754250 /nfs/dbraw/zinc/75/42/50/433754250.db2.gz LBRHCKFDZIAHTC-WLMCBFPDSA-N 0 0 319.376 3.243 10 30 DGEERN Cc1ccnc(C2CCN(c3snc(Cl)c3C#N)CC2)n1 ZINC000374924405 293462614 /nfs/dbraw/zinc/46/26/14/293462614.db2.gz GVLUXVONGCCWQZ-UHFFFAOYSA-N 0 0 319.821 3.151 10 30 DGEERN C=C[C@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000362602200 433780075 /nfs/dbraw/zinc/78/00/75/433780075.db2.gz SYFUSECXPWQARW-LBPRGKRZSA-N 0 0 300.406 3.440 10 30 DGEERN Cc1c([C@H](C)Nc2ccc(C#N)nn2)cnn1-c1ccc(F)cc1 ZINC000301914062 433793591 /nfs/dbraw/zinc/79/35/91/433793591.db2.gz HYVRJGFGKRQDSE-NSHDSACASA-N 0 0 322.347 3.155 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C)n2[C@H](C)CO ZINC000456730536 433796838 /nfs/dbraw/zinc/79/68/38/433796838.db2.gz UURSHFRFABJRIZ-QWHCGFSZSA-N 0 0 315.417 3.439 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000456756086 433808143 /nfs/dbraw/zinc/80/81/43/433808143.db2.gz GUTNUKBEZPCDCZ-CYBMUJFWSA-N 0 0 301.365 3.230 10 30 DGEERN C=CCOc1ccc(CNc2nccc(-c3cnn(C)c3)n2)cc1 ZINC000362650776 433809432 /nfs/dbraw/zinc/80/94/32/433809432.db2.gz VYJJTOCJJOTTCE-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1F ZINC000343556722 433816100 /nfs/dbraw/zinc/81/61/00/433816100.db2.gz LERCWBOIOYTUSL-AEFFLSMTSA-N 0 0 314.335 3.144 10 30 DGEERN Cc1ccc(CN(C(=O)c2ccc(C#N)n2C)C2CC2)cc1C ZINC000449926948 433876811 /nfs/dbraw/zinc/87/68/11/433876811.db2.gz VKVSGNZQODBVON-UHFFFAOYSA-N 0 0 307.397 3.318 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC[C@@]12CCOC2)c1ccc(F)c(F)c1 ZINC000422181284 433896058 /nfs/dbraw/zinc/89/60/58/433896058.db2.gz LZNPKJRWRYAIMC-WBVHZDCISA-N 0 0 322.355 3.156 10 30 DGEERN C=C(C)[C@H](NC(=O)N1CC[C@@]12CCOC2)c1ccc(F)c(F)c1 ZINC000422181283 433896938 /nfs/dbraw/zinc/89/69/38/433896938.db2.gz LZNPKJRWRYAIMC-RDJZCZTQSA-N 0 0 322.355 3.156 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1 ZINC000285246658 433921746 /nfs/dbraw/zinc/92/17/46/433921746.db2.gz GZDDZSQWRJLXGY-IBGZPJMESA-N 0 0 306.409 3.463 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCOc2ccc(F)cc2C1 ZINC000362839564 433881126 /nfs/dbraw/zinc/88/11/26/433881126.db2.gz FAWDCJLGAHWBQF-UHFFFAOYSA-N 0 0 310.328 3.299 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CC)c(F)c1 ZINC000436377419 433949462 /nfs/dbraw/zinc/94/94/62/433949462.db2.gz HKUZKEIBHCERPV-CZUORRHYSA-N 0 0 306.381 3.491 10 30 DGEERN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(C#N)ccn1 ZINC000357377524 433979738 /nfs/dbraw/zinc/97/97/38/433979738.db2.gz FVTARPSEATZDFS-UHFFFAOYSA-N 0 0 324.365 3.159 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)C#N ZINC000294155555 434019936 /nfs/dbraw/zinc/01/99/36/434019936.db2.gz ALVPIBJWSKPIDN-DTWKUNHWSA-N 0 0 301.173 3.131 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2c(cc1O)CCCC2 ZINC000436531348 433995246 /nfs/dbraw/zinc/99/52/46/433995246.db2.gz HGGVFXVWGAVLGA-UHFFFAOYSA-N 0 0 313.319 3.462 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1nnc(C(C)C)s1 ZINC000285815252 434076726 /nfs/dbraw/zinc/07/67/26/434076726.db2.gz VFYDUGURKLKBEM-CQSZACIVSA-N 0 0 313.426 3.026 10 30 DGEERN C=CCN(Cc1nnc(C2CC2)s1)Cc1cccc(C#N)c1 ZINC000450297616 434087391 /nfs/dbraw/zinc/08/73/91/434087391.db2.gz JJQLBRYAZSPMAL-UHFFFAOYSA-N 0 0 310.426 3.475 10 30 DGEERN C=CCC(F)(F)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000294496392 434116866 /nfs/dbraw/zinc/11/68/66/434116866.db2.gz BIKLEEJXZYBBEU-ZDUSSCGKSA-N 0 0 323.387 3.137 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000449906706 294146925 /nfs/dbraw/zinc/14/69/25/294146925.db2.gz ZWFFIICRODUVPT-RDJZCZTQSA-N 0 0 307.397 3.038 10 30 DGEERN N#Cc1ccnc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000285990099 434129183 /nfs/dbraw/zinc/12/91/83/434129183.db2.gz CRBKAHKJBHCGFT-ZHALLVOQSA-N 0 0 317.392 3.362 10 30 DGEERN C=CCOc1ccc(CC(=O)N(CC=C)CC(F)(F)F)cc1 ZINC000294708285 434130181 /nfs/dbraw/zinc/13/01/81/434130181.db2.gz LPHNJVAJVSOUPC-UHFFFAOYSA-N 0 0 313.319 3.371 10 30 DGEERN Cc1cccc(C2=CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 ZINC000450367780 434131266 /nfs/dbraw/zinc/13/12/66/434131266.db2.gz DEBHPMVUAWGJBJ-UHFFFAOYSA-N 0 0 305.381 3.135 10 30 DGEERN C=CCN(C(=O)Cc1ccc(C)cc1Br)C1CC1 ZINC000450395526 434148512 /nfs/dbraw/zinc/14/85/12/434148512.db2.gz ZSWROOKMBHMPPV-UHFFFAOYSA-N 0 0 308.219 3.477 10 30 DGEERN C[C@@H]1CCN(c2ncc(Br)cc2C#N)CCS1 ZINC000294945370 434154558 /nfs/dbraw/zinc/15/45/58/434154558.db2.gz JXUIPZXHLKIXIW-SECBINFHSA-N 0 0 312.236 3.048 10 30 DGEERN C#Cc1cccc(N(C(=O)c2nnn(C(C)C)c2C)C(C)C)c1 ZINC000294960133 434154855 /nfs/dbraw/zinc/15/48/55/434154855.db2.gz YYPGJQBMZBWQBU-UHFFFAOYSA-N 0 0 310.401 3.204 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416695954 434163043 /nfs/dbraw/zinc/16/30/43/434163043.db2.gz DFIDEXXUJKPYHH-INIZCTEOSA-N 0 0 317.433 3.299 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000357784177 434178110 /nfs/dbraw/zinc/17/81/10/434178110.db2.gz QECWXYJAPSMROJ-CQSZACIVSA-N 0 0 314.776 3.062 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1COc1cccnc1C ZINC000416728989 434180809 /nfs/dbraw/zinc/18/08/09/434180809.db2.gz YRHWUWDFCMAWQC-JKSUJKDBSA-N 0 0 317.433 3.298 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1COc1cccnc1C ZINC000416728973 434181089 /nfs/dbraw/zinc/18/10/89/434181089.db2.gz YRHWUWDFCMAWQC-CVEARBPZSA-N 0 0 317.433 3.298 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000457504347 434206474 /nfs/dbraw/zinc/20/64/74/434206474.db2.gz AURKQCCYFHENPW-VYDXJSESSA-N 0 0 312.369 3.012 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000457505415 434210757 /nfs/dbraw/zinc/21/07/57/434210757.db2.gz NVMJQBDNAGMMDF-CVEARBPZSA-N 0 0 322.836 3.417 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)c1nc(C2CCC2)no1 ZINC000450526186 434243588 /nfs/dbraw/zinc/24/35/88/434243588.db2.gz GYCBTOFMZMRRPY-UHFFFAOYSA-N 0 0 303.362 3.005 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000364513533 434274662 /nfs/dbraw/zinc/27/46/62/434274662.db2.gz VBLGQIVNXNQVRS-KRWDZBQOSA-N 0 0 316.401 3.284 10 30 DGEERN C=CCOCCNC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000378599584 434231862 /nfs/dbraw/zinc/23/18/62/434231862.db2.gz VZKRXSDQZRGUDN-CQSZACIVSA-N 0 0 324.808 3.056 10 30 DGEERN CC(C)Cn1cc(C(=O)N2CCC(C)(C#N)CC2)c(C(F)F)n1 ZINC000450503235 434235251 /nfs/dbraw/zinc/23/52/51/434235251.db2.gz WQIJXXJQWHKEMI-UHFFFAOYSA-N 0 0 324.375 3.243 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccccn1 ZINC000286761240 434289021 /nfs/dbraw/zinc/28/90/21/434289021.db2.gz UDXRUIONHLBXNF-NVXWUHKLSA-N 0 0 307.397 3.076 10 30 DGEERN C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1cccs1 ZINC000328639786 434292144 /nfs/dbraw/zinc/29/21/44/434292144.db2.gz XCMWSIBOLAHGSV-SCDSUCTJSA-N 0 0 305.403 3.277 10 30 DGEERN CC(=O)Nc1ccn([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1 ZINC000328631825 434293417 /nfs/dbraw/zinc/29/34/17/434293417.db2.gz RJVPKBNCUIOYCE-CYBMUJFWSA-N 0 0 320.343 3.216 10 30 DGEERN C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H](n2cccn2)C1 ZINC000328680749 434295877 /nfs/dbraw/zinc/29/58/77/434295877.db2.gz CDOVMTCVKSTYKW-ZIAGYGMSSA-N 0 0 318.446 3.127 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCC[C@H](C)C1)CCC2 ZINC000328664475 434297418 /nfs/dbraw/zinc/29/74/18/434297418.db2.gz YONFNTTYGADUEE-AEGPPILISA-N 0 0 304.438 3.151 10 30 DGEERN C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000365475756 434300560 /nfs/dbraw/zinc/30/05/60/434300560.db2.gz RGBOYKDPRLIMLD-LLVKDONJSA-N 0 0 302.353 3.312 10 30 DGEERN Cc1nnc([C@@H]2CCCCN2CC(=O)N[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000328689806 434301263 /nfs/dbraw/zinc/30/12/63/434301263.db2.gz QODDQZUZMIIJOJ-CFVMTHIKSA-N 0 0 319.453 3.175 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000365604513 434302982 /nfs/dbraw/zinc/30/29/82/434302982.db2.gz WBEYWPTXEDYDFA-PZJWPPBQSA-N 0 0 319.404 3.104 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccccn1 ZINC000287246174 434313880 /nfs/dbraw/zinc/31/38/80/434313880.db2.gz GOXUUAKMBSSKGH-SFHVURJKSA-N 0 0 321.424 3.248 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000364549441 434277543 /nfs/dbraw/zinc/27/75/43/434277543.db2.gz WPACFYRVGOEENZ-HOCLYGCPSA-N 0 0 318.465 3.365 10 30 DGEERN CCc1nnc(N[C@H](C)COCc2ccccc2)c(C#N)c1CC ZINC000390665093 434367844 /nfs/dbraw/zinc/36/78/44/434367844.db2.gz SDOSYVCMHHOFQU-CQSZACIVSA-N 0 0 324.428 3.490 10 30 DGEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC(C)(C)C1 ZINC000329231296 434377666 /nfs/dbraw/zinc/37/76/66/434377666.db2.gz KODBWBQVICQNIK-RDBSUJKOSA-N 0 0 315.479 3.230 10 30 DGEERN C[C@H](CCC1CCCCC1)NC(=O)N1CCc2cncnc2C1 ZINC000329290884 434386960 /nfs/dbraw/zinc/38/69/60/434386960.db2.gz AQLHGYZLYASCAW-CQSZACIVSA-N 0 0 316.449 3.498 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1Cc2ccccc2[C@H]1C ZINC000438049529 434389916 /nfs/dbraw/zinc/38/99/16/434389916.db2.gz BHNUSQVAGBMWKZ-CPUCHLNUSA-N 0 0 300.402 3.254 10 30 DGEERN CC#CCCNC(=O)c1c(Cl)cc(F)cc1Br ZINC000450687447 434342855 /nfs/dbraw/zinc/34/28/55/434342855.db2.gz ORKPDDKAVIZOON-UHFFFAOYSA-N 0 0 318.573 3.385 10 30 DGEERN CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(C#N)n1C ZINC000450695541 434349661 /nfs/dbraw/zinc/34/96/61/434349661.db2.gz JFMGSJDGURRSGI-UHFFFAOYSA-N 0 0 301.321 3.075 10 30 DGEERN Cc1cc([C@@H](C)NC(=O)N2CCc3cncnc3C2)c(C)s1 ZINC000329110603 434358821 /nfs/dbraw/zinc/35/88/21/434358821.db2.gz QKOAXFJBUXOGKP-LLVKDONJSA-N 0 0 316.430 3.188 10 30 DGEERN Cc1ccc2c(c1)CCN(C(=O)Nc1cn(C)nc1C1CC1)C2 ZINC000329625132 434446842 /nfs/dbraw/zinc/44/68/42/434446842.db2.gz OLXDREUKAUYINU-UHFFFAOYSA-N 0 0 310.401 3.210 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@H]1CC=CCC1)C2 ZINC000329625601 434447220 /nfs/dbraw/zinc/44/72/20/434447220.db2.gz VGKDFQLYQZRAOB-KBPBESRZSA-N 0 0 316.449 3.108 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000438077257 434394395 /nfs/dbraw/zinc/39/43/95/434394395.db2.gz RMLAGQXJGUKYKH-NXHRZFHOSA-N 0 0 314.429 3.344 10 30 DGEERN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1O ZINC000358587988 434399979 /nfs/dbraw/zinc/39/99/79/434399979.db2.gz LJRTVHPPVXJOJG-NSHDSACASA-N 0 0 300.333 3.262 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCc2ccsc2C1 ZINC000287608406 434408838 /nfs/dbraw/zinc/40/88/38/434408838.db2.gz ZCXPAAMOMYGTBN-KRWDZBQOSA-N 0 0 324.449 3.450 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000417498121 434411492 /nfs/dbraw/zinc/41/14/92/434411492.db2.gz FIKLRUVIVKKZAX-BYNSBNAKSA-N 0 0 304.438 3.186 10 30 DGEERN CC(C)(C)c1csc(CS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000359179164 434414638 /nfs/dbraw/zinc/41/46/38/434414638.db2.gz UUMNQUARJCOCLH-UHFFFAOYSA-N 0 0 320.439 3.286 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)CC#N ZINC000457990940 434430913 /nfs/dbraw/zinc/43/09/13/434430913.db2.gz QHKVJXXFUINAFF-INIZCTEOSA-N 0 0 313.401 3.018 10 30 DGEERN O=C(NC[C@@H]1CCCN1c1cccnn1)[C@H]1CCc2ccccc21 ZINC000329588508 434437612 /nfs/dbraw/zinc/43/76/12/434437612.db2.gz NAEBWAGGWNFASC-RDJZCZTQSA-N 0 0 322.412 3.132 10 30 DGEERN N#Cc1cc(Br)ccc1C(=O)N1CCC12CCC2 ZINC000450032577 294871320 /nfs/dbraw/zinc/87/13/20/294871320.db2.gz CKRRFOYZJZDXRI-UHFFFAOYSA-N 0 0 305.175 3.089 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329865302 434496955 /nfs/dbraw/zinc/49/69/55/434496955.db2.gz UDAHNCFYCDELGL-DUFGSWQCSA-N 0 0 318.465 3.231 10 30 DGEERN COc1ccccc1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366561894 434451664 /nfs/dbraw/zinc/45/16/64/434451664.db2.gz UEPLNBOMJIEXIK-MSOLQXFVSA-N 0 0 320.392 3.003 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCc2[nH]c3ccccc3c2C1)OCC ZINC000366833943 434519086 /nfs/dbraw/zinc/51/90/86/434519086.db2.gz ZTQLINMTBRJKPN-SFHVURJKSA-N 0 0 312.413 3.424 10 30 DGEERN COc1ccc(C#N)cc1CN1CCCC[C@@H]1c1ccnn1C ZINC000366887849 434527998 /nfs/dbraw/zinc/52/79/98/434527998.db2.gz UIWZEJBJEDWGFJ-QGZVFWFLSA-N 0 0 310.401 3.028 10 30 DGEERN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C#N ZINC000367012033 434535033 /nfs/dbraw/zinc/53/50/33/434535033.db2.gz VXQKDEGWUHNERV-KXBFYZLASA-N 0 0 320.392 3.469 10 30 DGEERN Cc1ccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)nc1C#N ZINC000408031360 434539146 /nfs/dbraw/zinc/53/91/46/434539146.db2.gz MKWPYLPCNQIRKP-KRWDZBQOSA-N 0 0 321.428 3.216 10 30 DGEERN C#CCCCNC(=O)N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000367160800 434540880 /nfs/dbraw/zinc/54/08/80/434540880.db2.gz QSEDNAWAXYVLPZ-QGZVFWFLSA-N 0 0 306.356 3.128 10 30 DGEERN C=C(C)CCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000459010031 434554847 /nfs/dbraw/zinc/55/48/47/434554847.db2.gz WCIHBPXFDZQABN-UHFFFAOYSA-N 0 0 300.402 3.231 10 30 DGEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(Br)s1 ZINC000408288524 434559217 /nfs/dbraw/zinc/55/92/17/434559217.db2.gz YEXJFFKTBGOWHM-WCBMZHEXSA-N 0 0 313.220 3.241 10 30 DGEERN C=CCCCCCCNC(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000367893955 434562105 /nfs/dbraw/zinc/56/21/05/434562105.db2.gz ALGMOMJXTWQHRX-FUHWJXTLSA-N 0 0 324.465 3.102 10 30 DGEERN N#Cc1c(C#N)c(N[C@@H]2CCC[C@H]2C#N)nc2c1CCCCCC2 ZINC000408329489 434563224 /nfs/dbraw/zinc/56/32/24/434563224.db2.gz JKACOGSEFKVIBN-SUMWQHHRSA-N 0 0 319.412 3.588 10 30 DGEERN Cc1nn(-c2ccccc2)c(C)c1Nc1nc(C)cc(C#N)n1 ZINC000439095268 434564936 /nfs/dbraw/zinc/56/49/36/434564936.db2.gz KCKJYPMWPPNLPK-UHFFFAOYSA-N 0 0 304.357 3.203 10 30 DGEERN C=CC[C@H]1N(C(=O)c2ccc(N3CCC3)nc2)CCCC1(C)C ZINC000451426651 434568584 /nfs/dbraw/zinc/56/85/84/434568584.db2.gz BRBPCDLBWLPCJH-MRXNPFEDSA-N 0 0 313.445 3.499 10 30 DGEERN C=CCC(CC=C)C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000368423664 434574715 /nfs/dbraw/zinc/57/47/15/434574715.db2.gz XXRJPTKYPQSUDB-UHFFFAOYSA-N 0 0 315.348 3.260 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000452402260 434594239 /nfs/dbraw/zinc/59/42/39/434594239.db2.gz ZOMZIBQGIMYHIB-WBVHZDCISA-N 0 0 307.397 3.210 10 30 DGEERN Cc1cc(C#N)cc(N2CCC(OCc3ccccc3)CC2)n1 ZINC000370589126 434616140 /nfs/dbraw/zinc/61/61/40/434616140.db2.gz OEFLFVOPKURWDF-UHFFFAOYSA-N 0 0 307.397 3.447 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000370712923 434618699 /nfs/dbraw/zinc/61/86/99/434618699.db2.gz ZQGHSCXSUDBVJB-ROUUACIJSA-N 0 0 305.393 3.313 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000409732500 434619632 /nfs/dbraw/zinc/61/96/32/434619632.db2.gz UXMWQQXOQGBCIV-SFHVURJKSA-N 0 0 320.408 3.168 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1nccs1 ZINC000424119856 434629080 /nfs/dbraw/zinc/62/90/80/434629080.db2.gz FIURNZPPVBVMTF-LLVKDONJSA-N 0 0 321.475 3.125 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(CCCC)CCOC ZINC000424128723 434630086 /nfs/dbraw/zinc/63/00/86/434630086.db2.gz RXIAOOQTJJCHJN-CQSZACIVSA-N 0 0 324.494 3.285 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccccn1 ZINC000424130411 434631147 /nfs/dbraw/zinc/63/11/47/434631147.db2.gz UZBCEEQWGRWZJL-AWEZNQCLSA-N 0 0 315.446 3.064 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000371019935 434632674 /nfs/dbraw/zinc/63/26/74/434632674.db2.gz VJIHUCIRWHXCQU-QGZVFWFLSA-N 0 0 324.428 3.023 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000424136808 434634016 /nfs/dbraw/zinc/63/40/16/434634016.db2.gz KTTUKBTUGJOFAJ-CWRNSKLLSA-N 0 0 323.820 3.125 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC1(CO)CCSCC1 ZINC000459543949 434600304 /nfs/dbraw/zinc/60/03/04/434600304.db2.gz CMRARGLYBZHMGM-UHFFFAOYSA-N 0 0 320.458 3.185 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000370071569 434607896 /nfs/dbraw/zinc/60/78/96/434607896.db2.gz HRFBEKCIHZGQHZ-RDTXWAMCSA-N 0 0 300.402 3.182 10 30 DGEERN C=CCn1cc(CNCc2ccc(C(F)(F)F)c(C)c2)nn1 ZINC000424176265 434647046 /nfs/dbraw/zinc/64/70/46/434647046.db2.gz XCGPVZYBMJFOPC-UHFFFAOYSA-N 0 0 310.323 3.081 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439898152 434658368 /nfs/dbraw/zinc/65/83/68/434658368.db2.gz TUXWDSMFHLLKQM-HOTGVXAUSA-N 0 0 315.413 3.140 10 30 DGEERN C=CCC1(c2nc(Cc3ccc(OC)cc3)no2)CCOCC1 ZINC000424219837 434661192 /nfs/dbraw/zinc/66/11/92/434661192.db2.gz FNKGZSXOTQSBIO-UHFFFAOYSA-N 0 0 314.385 3.293 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCS[C@H](C)C1 ZINC000424252500 434666991 /nfs/dbraw/zinc/66/69/91/434666991.db2.gz RNWVKXYTAHQQTL-CHWSQXEVSA-N 0 0 324.519 3.364 10 30 DGEERN COc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc12 ZINC000371328582 434669899 /nfs/dbraw/zinc/66/98/99/434669899.db2.gz WYWNTZFXJZARFL-KRWDZBQOSA-N 0 0 321.424 3.021 10 30 DGEERN C=CCn1cc(CN[C@H]2CCCOc3cc(C)c(C)cc32)nn1 ZINC000424300375 434686047 /nfs/dbraw/zinc/68/60/47/434686047.db2.gz XKGDIMYTFVIUCE-KRWDZBQOSA-N 0 0 312.417 3.084 10 30 DGEERN CC(=O)c1cc(C#N)ccc1NC(=O)c1oc(CC2CC2)nc1C ZINC000411059514 434706026 /nfs/dbraw/zinc/70/60/26/434706026.db2.gz FJGNBAFRHWRPNF-UHFFFAOYSA-N 0 0 323.352 3.262 10 30 DGEERN C=CCOCCNC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000371643646 434732698 /nfs/dbraw/zinc/73/26/98/434732698.db2.gz YEHGHMIZOIXPFZ-UHFFFAOYSA-N 0 0 324.371 3.056 10 30 DGEERN C=CCC1(C(=O)N(CC)Cc2ccc(OC)cc2)CCOCC1 ZINC000424572497 434744708 /nfs/dbraw/zinc/74/47/08/434744708.db2.gz HHNDEGYVIHTDDT-UHFFFAOYSA-N 0 0 317.429 3.417 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H](CCC)C2CCCCC2)nn1 ZINC000424640020 434766971 /nfs/dbraw/zinc/76/69/71/434766971.db2.gz MJCKUIBJDDWMRU-OAHLLOKOSA-N 0 0 304.438 3.333 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000452970540 434768368 /nfs/dbraw/zinc/76/83/68/434768368.db2.gz GHWNLEIPTJKPKH-MOPGFXCFSA-N 0 0 307.393 3.351 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000460385518 434755908 /nfs/dbraw/zinc/75/59/08/434755908.db2.gz HWHAZHCSFNZCFP-KGLIPLIRSA-N 0 0 306.454 3.371 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000452911289 434755945 /nfs/dbraw/zinc/75/59/45/434755945.db2.gz APSKGRQNMPREMN-CUBALJKWSA-N 0 0 323.795 3.432 10 30 DGEERN C=CCC1(C(=O)N2CCC(OC3CCCC3)CC2)CCOCC1 ZINC000424621389 434761862 /nfs/dbraw/zinc/76/18/62/434761862.db2.gz BCSNDAQEEDNSLH-UHFFFAOYSA-N 0 0 321.461 3.310 10 30 DGEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N(CC)CC1CC1 ZINC000460776949 434771757 /nfs/dbraw/zinc/77/17/57/434771757.db2.gz FFRQFIGGXSLPLG-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)Cc2cccc(OC)c2)CCOCC1 ZINC000424655759 434771901 /nfs/dbraw/zinc/77/19/01/434771901.db2.gz KVMYNWKQMPHOKG-OAHLLOKOSA-N 0 0 317.429 3.115 10 30 DGEERN COc1cc(CN2CCOC[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442805383 434772987 /nfs/dbraw/zinc/77/29/87/434772987.db2.gz ADSJZILREMYYNP-IBGZPJMESA-N 0 0 322.408 3.010 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H]2CC[C@H](SCC)C2)CCOCC1 ZINC000424694045 434780455 /nfs/dbraw/zinc/78/04/55/434780455.db2.gz KBJLBSLGPNVNRO-GJZGRUSLSA-N 0 0 311.491 3.492 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(OCCF)c2)CCOCC1 ZINC000424721049 434787592 /nfs/dbraw/zinc/78/75/92/434787592.db2.gz LDCUQOWEUUJLJV-UHFFFAOYSA-N 0 0 307.365 3.346 10 30 DGEERN C=CCC1(C(=O)Nc2nnc(CCCC)s2)CCOCC1 ZINC000424726155 434787812 /nfs/dbraw/zinc/78/78/12/434787812.db2.gz SXBWGSFEXJQMFC-UHFFFAOYSA-N 0 0 309.435 3.192 10 30 DGEERN C=CCCc1nc(CC(=O)Nc2c(CC)cccc2CC)no1 ZINC000445324683 434796824 /nfs/dbraw/zinc/79/68/24/434796824.db2.gz YEVQJLGPXKBPEQ-UHFFFAOYSA-N 0 0 313.401 3.494 10 30 DGEERN C=CCC1(C(=O)N[C@H](CC)c2c(C)noc2C)CCOCC1 ZINC000424752342 434796832 /nfs/dbraw/zinc/79/68/32/434796832.db2.gz NZNRSWNUWGXLHM-CQSZACIVSA-N 0 0 306.406 3.232 10 30 DGEERN CC#CCCNC(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419479547 434797374 /nfs/dbraw/zinc/79/73/74/434797374.db2.gz LRIKLNOPIZCZGL-OAHLLOKOSA-N 0 0 306.356 3.095 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(F)c(C(C)=O)c2)CCOCC1 ZINC000424827639 434812590 /nfs/dbraw/zinc/81/25/90/434812590.db2.gz FQJUSYIXMFGMCB-UHFFFAOYSA-N 0 0 305.349 3.340 10 30 DGEERN Cn1c(C#N)ccc1-c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000453169526 434820710 /nfs/dbraw/zinc/82/07/10/434820710.db2.gz SVLNDCNCJLOGEG-UHFFFAOYSA-N 0 0 306.369 3.467 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2CC23CCSCC3)CCOCC1 ZINC000424874207 434820715 /nfs/dbraw/zinc/82/07/15/434820715.db2.gz BPDRZRHFMWFESX-CQSZACIVSA-N 0 0 309.475 3.009 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)CCOCC1 ZINC000424870232 434820885 /nfs/dbraw/zinc/82/08/85/434820885.db2.gz KRVPSZQQJNUCLK-DLBZAZTESA-N 0 0 315.413 3.040 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)c1cc(C)sc1C ZINC000424898936 434826813 /nfs/dbraw/zinc/82/68/13/434826813.db2.gz BUSFQYCYEUIHRE-BBRMVZONSA-N 0 0 321.442 3.035 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000424899750 434827257 /nfs/dbraw/zinc/82/72/57/434827257.db2.gz DHEUHVXCJAFRTC-YOEHRIQHSA-N 0 0 317.429 3.070 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn([C@H](C)CC)c1C1CC1 ZINC000424935288 434829697 /nfs/dbraw/zinc/82/96/97/434829697.db2.gz XPVASGMFVRCPKR-INWMFGNUSA-N 0 0 317.433 3.052 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N(C)CCCC)cc1 ZINC000424930991 434829869 /nfs/dbraw/zinc/82/98/69/434829869.db2.gz IGHOONGEHFWBHK-WMZOPIPTSA-N 0 0 316.445 3.244 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCCOc1cccc(C)c1 ZINC000424930222 434829877 /nfs/dbraw/zinc/82/98/77/434829877.db2.gz DKFABVFFVAZESA-WMZOPIPTSA-N 0 0 317.429 3.251 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Br)c(C)c1 ZINC000424933010 434830029 /nfs/dbraw/zinc/83/00/29/434830029.db2.gz PDCVLXXAYNMZCJ-JSGCOSHPSA-N 0 0 324.218 3.078 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC000424930082 434830148 /nfs/dbraw/zinc/83/01/48/434830148.db2.gz DDNXYWKRKBZJAN-QRTARXTBSA-N 0 0 303.402 3.185 10 30 DGEERN C=C[C@](C)(CCOC)c1nc([C@@H](Cc2ccccc2)OC)no1 ZINC000453237929 434836956 /nfs/dbraw/zinc/83/69/56/434836956.db2.gz VNCFIZNTRJZMQD-CRAIPNDOSA-N 0 0 316.401 3.480 10 30 DGEERN C=CCCc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453239635 434838289 /nfs/dbraw/zinc/83/82/89/434838289.db2.gz QVCBZCYIXRPSKE-UHFFFAOYSA-N 0 0 300.318 3.122 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)CCC1 ZINC000372777423 434853794 /nfs/dbraw/zinc/85/37/94/434853794.db2.gz VFANWDLDJDBXQB-OAHLLOKOSA-N 0 0 318.417 3.155 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000521229461 434876281 /nfs/dbraw/zinc/87/62/81/434876281.db2.gz QMXPKTBSRJYRJW-JONQDZQNSA-N 0 0 308.466 3.482 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000573180091 434879460 /nfs/dbraw/zinc/87/94/60/434879460.db2.gz GNIDFKLMGOJENR-ZACQAIPSSA-N 0 0 318.392 3.236 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(CC)CC(=C)C ZINC000573206038 434880143 /nfs/dbraw/zinc/88/01/43/434880143.db2.gz OVUXSBYUTJVORE-UHFFFAOYSA-N 0 0 303.435 3.298 10 30 DGEERN Cc1cc(C#N)nc(NCC2(c3ccc(F)cc3Cl)CC2)n1 ZINC000553453655 434891290 /nfs/dbraw/zinc/89/12/90/434891290.db2.gz GARAVJICRRTGCT-UHFFFAOYSA-N 0 0 316.767 3.593 10 30 DGEERN Cc1cc(C#N)nc(Nc2cccc(CC(=O)OC(C)(C)C)c2)n1 ZINC000553396385 434891299 /nfs/dbraw/zinc/89/12/99/434891299.db2.gz ASGCVFWUSSTMPB-UHFFFAOYSA-N 0 0 324.384 3.285 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000412104730 434865215 /nfs/dbraw/zinc/86/52/15/434865215.db2.gz ANXGTOOYEZZYCW-JKSUJKDBSA-N 0 0 307.434 3.171 10 30 DGEERN N#CC1CCC(CNC(=O)NCCc2ccc(F)cc2F)CC1 ZINC000573055453 434871495 /nfs/dbraw/zinc/87/14/95/434871495.db2.gz SIZSCPOKLDZJFJ-UHFFFAOYSA-N 0 0 321.371 3.136 10 30 DGEERN CCC[C@H](C#N)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000523282507 434941651 /nfs/dbraw/zinc/94/16/51/434941651.db2.gz PYPQLUSULZUTGK-SECBINFHSA-N 0 0 320.190 3.352 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccc(F)c(F)c1 ZINC000463408159 434957246 /nfs/dbraw/zinc/95/72/46/434957246.db2.gz CAKUPSRBEXVJOQ-HUUCEWRRSA-N 0 0 324.371 3.137 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2c1CCCC2 ZINC000574172242 434957766 /nfs/dbraw/zinc/95/77/66/434957766.db2.gz UZHHUOIQDICXAU-KRWDZBQOSA-N 0 0 323.440 3.066 10 30 DGEERN CC#CCCNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000555146302 434961401 /nfs/dbraw/zinc/96/14/01/434961401.db2.gz GWBFLNSMUCNBRU-GFCCVEGCSA-N 0 0 302.340 3.164 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C)(C2CC2)CC1 ZINC000555162410 434963064 /nfs/dbraw/zinc/96/30/64/434963064.db2.gz LBMVNQSGUSHIFY-GDBMZVCRSA-N 0 0 306.450 3.189 10 30 DGEERN C=CCN(C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21)C1CC1 ZINC000555234130 434967451 /nfs/dbraw/zinc/96/74/51/434967451.db2.gz DHSAACPOBXYUAI-OAHLLOKOSA-N 0 0 304.365 3.182 10 30 DGEERN C=CCC[C@@H](NCc1nc2ccccc2n1CC)C(=O)OCC ZINC000574364620 434972807 /nfs/dbraw/zinc/97/28/07/434972807.db2.gz SIDCSWVKGJSFJI-OAHLLOKOSA-N 0 0 315.417 3.044 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1CC(C)C ZINC000527983993 435018468 /nfs/dbraw/zinc/01/84/68/435018468.db2.gz WAGXZGOPRBBFSX-SJORKVTESA-N 0 0 302.418 3.028 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000528079962 435019515 /nfs/dbraw/zinc/01/95/15/435019515.db2.gz NFQNFDNUMFNYAE-AWEZNQCLSA-N 0 0 322.290 3.173 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1Br ZINC000575341599 435030007 /nfs/dbraw/zinc/03/00/07/435030007.db2.gz FPFULSYPGGDTJM-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN COC(=O)Cc1cc(C#N)c(C(F)F)cc1OC(F)(F)F ZINC000575344178 435030022 /nfs/dbraw/zinc/03/00/22/435030022.db2.gz SWVNCTXLKGWCAO-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1cc(Br)c(C#N)cc1C(F)F ZINC000575341632 435030162 /nfs/dbraw/zinc/03/01/62/435030162.db2.gz VSKPBBRCOHBSOH-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528985794 435031442 /nfs/dbraw/zinc/03/14/42/435031442.db2.gz WYRBHBZQMLKIGQ-OAHLLOKOSA-N 0 0 305.418 3.430 10 30 DGEERN COC(=O)c1cc(C(F)(F)F)c(OC(F)(F)F)cc1C#N ZINC000575345333 435031718 /nfs/dbraw/zinc/03/17/18/435031718.db2.gz RZDSNDFDURPXNB-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1OC(F)(F)F ZINC000575388713 435034013 /nfs/dbraw/zinc/03/40/13/435034013.db2.gz AIOSWWRUUPMYMP-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1C(F)(F)F ZINC000575345352 435032177 /nfs/dbraw/zinc/03/21/77/435032177.db2.gz VGVCZWKABRMRTC-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)c(OC(F)F)c1 ZINC000575385388 435034038 /nfs/dbraw/zinc/03/40/38/435034038.db2.gz NUWMVQFIBKWEER-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)cc(C(F)F)c1C#N ZINC000575385487 435034450 /nfs/dbraw/zinc/03/44/50/435034450.db2.gz USWMQNRLTCJEAL-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1OC(F)F ZINC000575386794 435034471 /nfs/dbraw/zinc/03/44/71/435034471.db2.gz HKFSAVUZEFEKJW-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1CC ZINC000575388733 435034564 /nfs/dbraw/zinc/03/45/64/435034564.db2.gz AXYGUWNTIIDSFT-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(Br)c1C(F)F ZINC000575382756 435033048 /nfs/dbraw/zinc/03/30/48/435033048.db2.gz QEYDWVVZSYEHGE-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN COC(=O)c1cc(Br)c(C#N)cc1OC(F)(F)F ZINC000575383637 435033236 /nfs/dbraw/zinc/03/32/36/435033236.db2.gz WCDIYONCCJOWHB-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)c(Br)cc1C#N ZINC000575383422 435033287 /nfs/dbraw/zinc/03/32/87/435033287.db2.gz FXJJFXVFRPRDLC-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000527178886 435009614 /nfs/dbraw/zinc/00/96/14/435009614.db2.gz SZITXDBHCLHJRC-DOMZBBRYSA-N 0 0 320.399 3.368 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(Cl)cc1C#N ZINC000575383532 435033368 /nfs/dbraw/zinc/03/33/68/435033368.db2.gz YWMFGYVKERWZSL-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1CC ZINC000575388720 435034114 /nfs/dbraw/zinc/03/41/14/435034114.db2.gz AMLSFRJAAXLESM-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(CC)c1C#N ZINC000575389059 435034120 /nfs/dbraw/zinc/03/41/20/435034120.db2.gz UKRARAAGHIBUPN-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530909157 435059213 /nfs/dbraw/zinc/05/92/13/435059213.db2.gz HKWMMIJRKYCXLP-IBGZPJMESA-N 0 0 320.392 3.473 10 30 DGEERN C=CCCCCCNS(=O)(=O)c1ccccc1OC(F)F ZINC000577124191 435060002 /nfs/dbraw/zinc/06/00/02/435060002.db2.gz JITGDXBMMGDMCI-UHFFFAOYSA-N 0 0 319.373 3.313 10 30 DGEERN CCc1nc2cc(CNc3ccncc3C#N)ccc2n1C1CC1 ZINC000557688139 435063919 /nfs/dbraw/zinc/06/39/19/435063919.db2.gz ZXVRAYINDTVPBH-UHFFFAOYSA-N 0 0 317.396 3.234 10 30 DGEERN Cc1cccnc1[C@H](NC(=O)Cc1cccc(C#N)c1)C(C)C ZINC000531385568 435090806 /nfs/dbraw/zinc/09/08/06/435090806.db2.gz NFDAQAGRRHUDBT-GOSISDBHSA-N 0 0 307.397 3.318 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(C=O)c1SC(F)(F)F ZINC000575391039 435035141 /nfs/dbraw/zinc/03/51/41/435035141.db2.gz FMCNJRADJQYTKC-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1OC ZINC000529582590 435037710 /nfs/dbraw/zinc/03/77/10/435037710.db2.gz AQQBCZNAVAEKFK-IJEWVQPXSA-N 0 0 315.413 3.426 10 30 DGEERN CCc1c(C#N)ccc(OC(F)F)c1I ZINC000575654892 435038235 /nfs/dbraw/zinc/03/82/35/435038235.db2.gz HMCCEWBONSIFOB-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1c(I)c(C#N)ccc1OC(F)F ZINC000575654247 435038343 /nfs/dbraw/zinc/03/83/43/435038343.db2.gz AMUCVJVJMMQCGQ-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(OC(F)F)c(C#N)cc1I ZINC000575663600 435039584 /nfs/dbraw/zinc/03/95/84/435039584.db2.gz CQFQFPDFBABFGC-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1c(I)ccc(C#N)c1OC(F)F ZINC000575664375 435040540 /nfs/dbraw/zinc/04/05/40/435040540.db2.gz YHFOQYNMXBEIAG-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCOc1cc(C#N)c(C(F)F)cc1I ZINC000575665872 435040779 /nfs/dbraw/zinc/04/07/79/435040779.db2.gz IBVPXOZXTUFGQG-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN Cc1cc(C#N)cc(OC(F)F)c1I ZINC000575663714 435040914 /nfs/dbraw/zinc/04/09/14/435040914.db2.gz JLYPNWFBMCSIHU-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCOc1cc(CC)cc(C#N)c1I ZINC000575671037 435041459 /nfs/dbraw/zinc/04/14/59/435041459.db2.gz SEKOFKHFNRPOSP-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#Cc1c(C(F)F)cc(I)cc1[N+](=O)[O-] ZINC000575670740 435041788 /nfs/dbraw/zinc/04/17/88/435041788.db2.gz LYDYIOJJUBDBEF-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN N#Cc1cc(C(F)F)c([N+](=O)[O-])cc1I ZINC000575670725 435041961 /nfs/dbraw/zinc/04/19/61/435041961.db2.gz LKNFOFATLDCENF-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN CCOc1cc(C#N)cc(I)c1CC ZINC000575671292 435042214 /nfs/dbraw/zinc/04/22/14/435042214.db2.gz WEOFKMLGTZTZRO-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#CCc1cc(Br)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575686999 435043887 /nfs/dbraw/zinc/04/38/87/435043887.db2.gz QMQWMDIPFSQUFH-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1cc(Br)cc(Br)c1[N+](=O)[O-] ZINC000575695134 435045701 /nfs/dbraw/zinc/04/57/01/435045701.db2.gz QLPZEKGNDUMJAM-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN CCOc1cc(I)c(CC)c(CC#N)c1 ZINC000575697370 435046914 /nfs/dbraw/zinc/04/69/14/435046914.db2.gz VZBMGZYZLNDEKG-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN Cc1ccccc1[C@@H]1CCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000530676501 435048332 /nfs/dbraw/zinc/04/83/32/435048332.db2.gz FITUFWXUVRJPFR-GOSISDBHSA-N 0 0 304.393 3.425 10 30 DGEERN COc1c(I)cc(SC)cc1CC#N ZINC000575708079 435049262 /nfs/dbraw/zinc/04/92/62/435049262.db2.gz HJKMRZZJQIBDPF-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)cc(F)c1OC(F)(F)F ZINC000575710766 435049450 /nfs/dbraw/zinc/04/94/50/435049450.db2.gz MSGJCKSKUZROIR-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN COC(=O)c1c(F)cc(OC(F)(F)F)cc1OC(F)(F)F ZINC000575711314 435050194 /nfs/dbraw/zinc/05/01/94/435050194.db2.gz WFKRIQKMGFOBJO-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C=CCn1c(C2CCCC2)nnc1N1CCC[C@H](COC)CC1 ZINC000576438526 435055881 /nfs/dbraw/zinc/05/58/81/435055881.db2.gz JVVKSKUGFGMJJH-HNNXBMFYSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000466867674 435095433 /nfs/dbraw/zinc/09/54/33/435095433.db2.gz MIJABRCFJBLRDC-GFCCVEGCSA-N 0 0 303.793 4.067 10 30 DGEERN C=C(C)COCCNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000558801841 435111706 /nfs/dbraw/zinc/11/17/06/435111706.db2.gz DLLPSNFANHKCSP-OAHLLOKOSA-N 0 0 317.429 3.338 10 30 DGEERN C=CCCCCN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000561007947 435196297 /nfs/dbraw/zinc/19/62/97/435196297.db2.gz XANIPIYASNOWEB-AWEZNQCLSA-N 0 0 306.793 3.159 10 30 DGEERN COc1ccc(N(C)C(=O)Cc2cccc(C#N)c2)cc1Cl ZINC000532322872 435156783 /nfs/dbraw/zinc/15/67/83/435156783.db2.gz HOOFZPLNFOWQTH-UHFFFAOYSA-N 0 0 314.772 3.426 10 30 DGEERN Cc1ccc(CNc2nc(C)cc(C#N)n2)c(OC(C)(C)C)c1 ZINC000561233803 435206858 /nfs/dbraw/zinc/20/68/58/435206858.db2.gz PHLPGVMHCIJEPP-UHFFFAOYSA-N 0 0 310.401 3.755 10 30 DGEERN C=C(C)[C@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc(F)c(F)c1 ZINC000475662184 435208047 /nfs/dbraw/zinc/20/80/47/435208047.db2.gz QSFPVVOJTHQFCB-MWNCTCPHSA-N 0 0 307.340 3.123 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1CC12CCCC2 ZINC000582337281 435239179 /nfs/dbraw/zinc/23/91/79/435239179.db2.gz RSUFTEQTRORDSQ-MRXNPFEDSA-N 0 0 300.402 3.383 10 30 DGEERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCC2(C#N)CC2)o1 ZINC000562394952 435258682 /nfs/dbraw/zinc/25/86/82/435258682.db2.gz PQYSSKAYKXUWIC-TZMCWYRMSA-N 0 0 301.390 3.374 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sc(C(C)C)nc1C ZINC000562446358 435259984 /nfs/dbraw/zinc/25/99/84/435259984.db2.gz VDPCRNPIXQKZEU-QWHCGFSZSA-N 0 0 308.447 3.286 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1c(C)nsc1C ZINC000563363300 435266257 /nfs/dbraw/zinc/26/62/57/435266257.db2.gz HABFSMPBWHIKPS-UHFFFAOYSA-N 0 0 306.431 3.424 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000563402513 435267173 /nfs/dbraw/zinc/26/71/73/435267173.db2.gz FMJXXEHSNGCDGF-DLBZAZTESA-N 0 0 320.477 3.278 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000477489407 435271195 /nfs/dbraw/zinc/27/11/95/435271195.db2.gz OUSAHUZXULDDCU-SJORKVTESA-N 0 0 323.458 3.181 10 30 DGEERN C=CCCCCCNC(=O)Cc1noc2ccc(OC)cc12 ZINC000584121697 435276677 /nfs/dbraw/zinc/27/66/77/435276677.db2.gz VFYUBFAFZNFAPG-UHFFFAOYSA-N 0 0 302.374 3.242 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)C2(CF)CCC2)cc1 ZINC000566275819 435286358 /nfs/dbraw/zinc/28/63/58/435286358.db2.gz WAZASSMIUVZTCE-UHFFFAOYSA-N 0 0 305.353 3.072 10 30 DGEERN N#CC1(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCOCC1 ZINC000566790343 435288266 /nfs/dbraw/zinc/28/82/66/435288266.db2.gz NXJNYGCVKIDELB-ZWKOTPCHSA-N 0 0 320.392 3.132 10 30 DGEERN C=CCSCCNC(=O)N1CC=C(c2ccccc2C)C1 ZINC000567032028 435289730 /nfs/dbraw/zinc/28/97/30/435289730.db2.gz FQUPGMDZDTUOSK-UHFFFAOYSA-N 0 0 302.443 3.323 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1Nc1ccc(C)cc1 ZINC000567085793 435291303 /nfs/dbraw/zinc/29/13/03/435291303.db2.gz KFMCQQBXGQRQQQ-INIZCTEOSA-N 0 0 310.397 3.405 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000567105870 435292057 /nfs/dbraw/zinc/29/20/57/435292057.db2.gz QXCVUOAIJYNWFN-VYDXJSESSA-N 0 0 316.445 3.243 10 30 DGEERN Cc1cc(C#N)nc(NCC(C)(C)c2cccc(Cl)c2F)n1 ZINC000588019643 435294522 /nfs/dbraw/zinc/29/45/22/435294522.db2.gz PCDYMGJTBGROQC-UHFFFAOYSA-N 0 0 318.783 3.839 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)C/C=C\c2ccccc2)cc1F ZINC000478361479 435297994 /nfs/dbraw/zinc/29/79/94/435297994.db2.gz LUESPPLAKDWQGJ-DAXSKMNVSA-N 0 0 315.369 3.326 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000535325332 435328295 /nfs/dbraw/zinc/32/82/95/435328295.db2.gz LESXGRCNCUZNGY-CQSZACIVSA-N 0 0 309.753 3.306 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000567642099 435336286 /nfs/dbraw/zinc/33/62/86/435336286.db2.gz SBSLENRUKOLKLR-HYVNUMGLSA-N 0 0 317.429 3.330 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N(C)[C@@H](C)CC#N ZINC000567854987 435361998 /nfs/dbraw/zinc/36/19/98/435361998.db2.gz BICGGOIPVRCUEW-NSHDSACASA-N 0 0 316.434 3.025 10 30 DGEERN C=CCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000568171199 435402153 /nfs/dbraw/zinc/40/21/53/435402153.db2.gz CJLXVTSOQMIMLE-UHFFFAOYSA-N 0 0 307.390 3.189 10 30 DGEERN C=CCCCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000481120811 435411730 /nfs/dbraw/zinc/41/17/30/435411730.db2.gz RHQSBCTWEMZRAF-CVEARBPZSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCCCNC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000568590138 435451595 /nfs/dbraw/zinc/45/15/95/435451595.db2.gz PPVUUYHOOOHLAS-UHFFFAOYSA-N 0 0 320.458 3.288 10 30 DGEERN CCOc1cc(-c2noc(Cc3cccc(C#N)c3)n2)ccc1O ZINC000568715534 435464139 /nfs/dbraw/zinc/46/41/39/435464139.db2.gz BQYNGFHQGVOUAT-UHFFFAOYSA-N 0 0 321.336 3.303 10 30 DGEERN C=CC(C)(C)c1nc([C@@H](C)n2cc(Br)cn2)no1 ZINC000515300434 435474710 /nfs/dbraw/zinc/47/47/10/435474710.db2.gz PPZDBUATRIZYPE-MRVPVSSYSA-N 0 0 311.183 3.102 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000537247153 435433222 /nfs/dbraw/zinc/43/32/22/435433222.db2.gz AJMLRIGZBZYRLG-HNNXBMFYSA-N 0 0 317.433 3.390 10 30 DGEERN C=C(C)COCCNC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483246075 435504275 /nfs/dbraw/zinc/50/42/75/435504275.db2.gz JGZNPSHCJVAWBU-GOSISDBHSA-N 0 0 320.408 3.091 10 30 DGEERN C=CCN(C(=O)Nc1cc(Cl)ccc1C(=O)OC)C1CC1 ZINC000538982078 435533952 /nfs/dbraw/zinc/53/39/52/435533952.db2.gz BZOXOKBFKPHJEB-UHFFFAOYSA-N 0 0 308.765 3.309 10 30 DGEERN CC#CCCNC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000482830798 435484038 /nfs/dbraw/zinc/48/40/38/435484038.db2.gz MBKHRCCJMOTEQQ-GFCCVEGCSA-N 0 0 323.234 3.093 10 30 DGEERN CC(C)(C)CCCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000517088178 435574681 /nfs/dbraw/zinc/57/46/81/435574681.db2.gz QJBUYGRYXYWIEB-UHFFFAOYSA-N 0 0 312.410 3.192 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000485740424 435577949 /nfs/dbraw/zinc/57/79/49/435577949.db2.gz AAVLQTKCGZVVKY-DAXOMENPSA-N 0 0 323.820 3.205 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H](C)[C@H]1CC ZINC000517204424 435581284 /nfs/dbraw/zinc/58/12/84/435581284.db2.gz VHAOYBNKGVNMFA-DZGCQCFKSA-N 0 0 311.433 3.459 10 30 DGEERN C=CCN(C(=O)N[C@H]1C[C@]1(C)c1ccccc1OC)C1CC1 ZINC000540110218 435587805 /nfs/dbraw/zinc/58/78/05/435587805.db2.gz DVBQXRCWCBBKSS-FUHWJXTLSA-N 0 0 300.402 3.085 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000486127130 435590464 /nfs/dbraw/zinc/59/04/64/435590464.db2.gz XZKPCSPVWQEBBQ-GRYCIOLGSA-N 0 0 307.356 3.451 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000540386269 435598309 /nfs/dbraw/zinc/59/83/09/435598309.db2.gz NXGOIZXPGVHIQQ-SZMVWBNQSA-N 0 0 316.445 3.197 10 30 DGEERN N#Cc1cnccc1Sc1nnc(NC2CCCCC2)s1 ZINC000545947986 435649875 /nfs/dbraw/zinc/64/98/75/435649875.db2.gz NGCPORQMKWYRAL-UHFFFAOYSA-N 0 0 317.443 3.701 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCCC1(COC)CC1 ZINC000570797168 435650633 /nfs/dbraw/zinc/65/06/33/435650633.db2.gz PZJWPIRHMGHHQG-UHFFFAOYSA-N 0 0 316.445 3.243 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(OC(C)C)c1 ZINC000518997015 435663598 /nfs/dbraw/zinc/66/35/98/435663598.db2.gz KUXFQRRRMBGBJN-UHFFFAOYSA-N 0 0 318.417 3.275 10 30 DGEERN N#Cc1cnccc1NCc1ccc(COCC(F)(F)F)cc1 ZINC000548151900 435673306 /nfs/dbraw/zinc/67/33/06/435673306.db2.gz XKGZTCMKXNHMAR-UHFFFAOYSA-N 0 0 321.302 3.066 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000519653789 435697405 /nfs/dbraw/zinc/69/74/05/435697405.db2.gz OOMJATMJTHQTPI-IUODEOHRSA-N 0 0 308.397 3.149 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000571819158 435743400 /nfs/dbraw/zinc/74/34/00/435743400.db2.gz QUAFFCWQHRANHR-GDBMZVCRSA-N 0 0 312.479 3.087 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc(Cn2cncn2)c1 ZINC000571460757 435709363 /nfs/dbraw/zinc/70/93/63/435709363.db2.gz YWSXVGADOJPPCP-UHFFFAOYSA-N 0 0 313.405 3.194 10 30 DGEERN C[C@@H](Nc1c(Br)cc(Cl)cc1C#N)[C@H](C)CO ZINC000519847639 435713379 /nfs/dbraw/zinc/71/33/79/435713379.db2.gz ZTTPHQCEDAFHLB-HTQZYQBOSA-N 0 0 317.614 3.403 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000572256646 435800666 /nfs/dbraw/zinc/80/06/66/435800666.db2.gz RXJOWFIQQXIBLU-HNNXBMFYSA-N 0 0 302.418 3.058 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1CC2(CCC2)C[C@H]1C ZINC000572363213 435815315 /nfs/dbraw/zinc/81/53/15/435815315.db2.gz OLAPZHPERNRPDX-LLVKDONJSA-N 0 0 314.355 3.338 10 30 DGEERN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 ZINC000549843159 435781726 /nfs/dbraw/zinc/78/17/26/435781726.db2.gz SCALNUNWDDJPEI-UHFFFAOYSA-N 0 0 309.417 3.319 10 30 DGEERN C=CCCCCCNC(=O)c1cnc(-c2ncccn2)s1 ZINC000572131854 435784186 /nfs/dbraw/zinc/78/41/86/435784186.db2.gz QDQJPHRCGLSWHG-UHFFFAOYSA-N 0 0 302.403 3.076 10 30 DGEERN C=CCC1(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)CCOCC1 ZINC000572408899 435822345 /nfs/dbraw/zinc/82/23/45/435822345.db2.gz QGHKDBAFMBSRBF-INIZCTEOSA-N 0 0 314.429 3.364 10 30 DGEERN Cc1cc(C#N)cc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 ZINC000408004527 301073495 /nfs/dbraw/zinc/07/34/95/301073495.db2.gz MOQMZUUJKBHERN-KRWDZBQOSA-N 0 0 321.428 3.216 10 30 DGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000408172440 301076686 /nfs/dbraw/zinc/07/66/86/301076686.db2.gz WINYIVWEDFJQIG-DYVFJYSZSA-N 0 0 318.442 3.068 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1snc(Cl)c1C#N ZINC000108951211 302764016 /nfs/dbraw/zinc/76/40/16/302764016.db2.gz JRKPSVRMIIJOMM-NSHDSACASA-N 0 0 321.837 3.360 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000081013415 302904837 /nfs/dbraw/zinc/90/48/37/302904837.db2.gz QHGNFMCUJQGYLM-MRXNPFEDSA-N 0 0 308.385 3.049 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000531386884 313455272 /nfs/dbraw/zinc/45/52/72/313455272.db2.gz WVYUMWFLAJSODV-UHFFFAOYSA-N 0 0 318.298 3.436 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCc3ccc(F)c(F)c32)c1 ZINC000537688898 313829363 /nfs/dbraw/zinc/82/93/63/313829363.db2.gz ZTXPWYQMXFHRCE-UHFFFAOYSA-N 0 0 312.319 3.358 10 30 DGEERN Cc1ccnc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000542207948 314062182 /nfs/dbraw/zinc/06/21/82/314062182.db2.gz JSCRMOGBULDMPK-CQSZACIVSA-N 0 0 315.417 3.210 10 30 DGEERN N#Cc1cccc(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC000545535057 314256989 /nfs/dbraw/zinc/25/69/89/314256989.db2.gz OBICJXUUPCHTNW-UHFFFAOYSA-N 0 0 320.308 3.031 10 30 DGEERN N#Cc1cccc(Cc2nc(Cc3ccc(F)cc3F)no2)c1 ZINC000546274042 314299212 /nfs/dbraw/zinc/29/92/12/314299212.db2.gz UMXLSUQICUFNDI-UHFFFAOYSA-N 0 0 311.291 3.401 10 30 DGEERN N#Cc1cnccc1N1CCC(OCCc2ccccc2)CC1 ZINC000547361070 314359783 /nfs/dbraw/zinc/35/97/83/314359783.db2.gz QHPQRLZAVRQBMD-UHFFFAOYSA-N 0 0 307.397 3.181 10 30 DGEERN CC1(C)[C@H](Nc2ccncc2C#N)C[C@H]1OCc1ccccc1 ZINC000548483975 314452429 /nfs/dbraw/zinc/45/24/29/314452429.db2.gz QUDQUNLHPDOYQY-QZTJIDSGSA-N 0 0 307.397 3.171 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccc(Cl)cc2F)c1 ZINC000548614066 314459715 /nfs/dbraw/zinc/45/97/15/314459715.db2.gz YKFIUHYPVXHIOS-UHFFFAOYSA-N 0 0 302.736 3.210 10 30 DGEERN Cc1ccc(Br)cc1CNc1ccncc1C#N ZINC000553203111 314635711 /nfs/dbraw/zinc/63/57/11/314635711.db2.gz YXFGOQXARQKZLD-UHFFFAOYSA-N 0 0 302.175 3.058 10 30 DGEERN Cc1ccc(-n2cnc3c2CCN(c2ccncc2C#N)C3)cc1 ZINC000553245620 314637269 /nfs/dbraw/zinc/63/72/69/314637269.db2.gz CBSWXQORFROKIQ-UHFFFAOYSA-N 0 0 315.380 3.010 10 30 DGEERN Cc1cc(C#N)nc(Nc2ccc(C)c(OCC(F)F)c2)n1 ZINC000557567999 314810195 /nfs/dbraw/zinc/81/01/95/314810195.db2.gz AXIQJCWGYCATIR-UHFFFAOYSA-N 0 0 304.300 3.353 10 30 DGEERN C[C@@H]1C[C@@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000564619693 315186313 /nfs/dbraw/zinc/18/63/13/315186313.db2.gz RDLSZCZWJWZWPI-NXEZZACHSA-N 0 0 303.312 3.198 10 30 DGEERN C[C@H]1C[C@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000564619694 315186350 /nfs/dbraw/zinc/18/63/50/315186350.db2.gz RDLSZCZWJWZWPI-UWVGGRQHSA-N 0 0 303.312 3.198 10 30 DGEERN N#Cc1ccc(NC(=O)NCCOCC2CCC2)cc1Cl ZINC000565749001 315284359 /nfs/dbraw/zinc/28/43/59/315284359.db2.gz MFENFFRLICDTJA-UHFFFAOYSA-N 0 0 307.781 3.150 10 30 DGEERN C[C@H](Cc1ccc(Br)cc1)Nc1cc(C#N)ncn1 ZINC000565870765 315293377 /nfs/dbraw/zinc/29/33/77/315293377.db2.gz PLXGEEQNHWEHRF-SNVBAGLBSA-N 0 0 317.190 3.154 10 30 DGEERN Cc1ccc([C@H]2OCCC[C@H]2CNc2ccncc2C#N)cc1 ZINC000568959982 315548006 /nfs/dbraw/zinc/54/80/06/315548006.db2.gz ADSJKUMJARIONT-QFBILLFUSA-N 0 0 307.397 3.263 10 30 DGEERN C[C@H](Nc1cccnc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000576038950 316087818 /nfs/dbraw/zinc/08/78/18/316087818.db2.gz AHHCNGSDZAOQTG-NSHDSACASA-N 0 0 312.339 3.028 10 30 DGEERN CCc1cnccc1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000183731169 323345974 /nfs/dbraw/zinc/34/59/74/323345974.db2.gz PYYSKSNGEQJGHE-UHFFFAOYSA-N 0 0 317.295 3.369 10 30 DGEERN N#Cc1ccc(OCCSc2nc(C3CC3)cc(=O)[nH]2)cc1 ZINC000188142318 323421991 /nfs/dbraw/zinc/42/19/91/323421991.db2.gz MPRFAXRHMOLJTD-UHFFFAOYSA-N 0 0 313.382 3.102 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CC=C)CC1CCCCC1 ZINC000297539413 331600696 /nfs/dbraw/zinc/60/06/96/331600696.db2.gz BJXNWHOBPHEIGC-UHFFFAOYSA-N 0 0 306.450 3.006 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2ccccc2C)CCCCC1 ZINC000185882348 331661546 /nfs/dbraw/zinc/66/15/46/331661546.db2.gz OPYMBZHQBQFUGY-MRXNPFEDSA-N 0 0 301.430 3.250 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000186399707 332924804 /nfs/dbraw/zinc/92/48/04/332924804.db2.gz BCYALXUEXMFZSS-HZPDHXFCSA-N 0 0 304.434 3.318 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000556606149 331718599 /nfs/dbraw/zinc/71/85/99/331718599.db2.gz BISFSFHTASKUNA-SFYZADRCSA-N 0 0 321.324 3.017 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CCCC[C@@H](C)C1 ZINC000558452815 331908509 /nfs/dbraw/zinc/90/85/09/331908509.db2.gz PVAZBMZLGREKKB-CQSZACIVSA-N 0 0 311.433 3.461 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(CCc1nccs1)C(C)C ZINC000558627991 331930260 /nfs/dbraw/zinc/93/02/60/331930260.db2.gz LZDIZVBGMWSWBF-UHFFFAOYSA-N 0 0 319.478 3.331 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000518212871 331997318 /nfs/dbraw/zinc/99/73/18/331997318.db2.gz HOOHFRYGTSMNDK-DOTOQJQBSA-N 0 0 304.434 3.024 10 30 DGEERN CCCCN(Cc1ccccc1F)C(=O)NCC1(C#N)CC1 ZINC000518355379 332017918 /nfs/dbraw/zinc/01/79/18/332017918.db2.gz FSMQBUPNJNYCAN-UHFFFAOYSA-N 0 0 303.381 3.441 10 30 DGEERN N#CCOc1cccc(CC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000089739011 332076028 /nfs/dbraw/zinc/07/60/28/332076028.db2.gz YLKWSQZCLRCPGN-UHFFFAOYSA-N 0 0 324.424 3.072 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)COC/C=C\c1ccccc1 ZINC000533875588 332229113 /nfs/dbraw/zinc/22/91/13/332229113.db2.gz HEIDHZMFWTYUIX-IEODJVTJSA-N 0 0 300.402 3.161 10 30 DGEERN C=CCCCNC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000560039581 332305107 /nfs/dbraw/zinc/30/51/07/332305107.db2.gz ULQYIYWSGVGIEC-GOSISDBHSA-N 0 0 316.445 3.386 10 30 DGEERN C=CCC1(c2nc(CC(=O)N3CCCC3)no2)CCCCC1 ZINC000560344544 332333045 /nfs/dbraw/zinc/33/30/45/332333045.db2.gz OLYKSIHEAKHLIH-UHFFFAOYSA-N 0 0 303.406 3.013 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000425588771 335107882 /nfs/dbraw/zinc/10/78/82/335107882.db2.gz SXGSVIVVGRVKTK-XIRDDKMYSA-N 0 0 318.392 3.263 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000185024940 335108137 /nfs/dbraw/zinc/10/81/37/335108137.db2.gz YGLXHRCWKUMAPF-ZDUSSCGKSA-N 0 0 311.385 3.192 10 30 DGEERN C=CCCOCCNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000155369761 332446552 /nfs/dbraw/zinc/44/65/52/332446552.db2.gz QAVGYRGURRJFJR-UHFFFAOYSA-N 0 0 307.438 3.084 10 30 DGEERN C=C(C)CN(C)C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425584736 335106911 /nfs/dbraw/zinc/10/69/11/335106911.db2.gz OTSIDKSMZNFDLY-CQSZACIVSA-N 0 0 312.454 3.208 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000185192274 335118233 /nfs/dbraw/zinc/11/82/33/335118233.db2.gz KDAYGLAHXPQWEI-OAHLLOKOSA-N 0 0 301.434 3.290 10 30 DGEERN N#CC1(NC(=O)C[C@@H]2CCCc3ccccc32)CCSCC1 ZINC000179085992 333146452 /nfs/dbraw/zinc/14/64/52/333146452.db2.gz MXEZEJULRYKSQK-HNNXBMFYSA-N 0 0 314.454 3.402 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000580326815 333187353 /nfs/dbraw/zinc/18/73/53/333187353.db2.gz NZVULXDPOMJAGW-ZACQAIPSSA-N 0 0 308.466 3.458 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000185691332 335147484 /nfs/dbraw/zinc/14/74/84/335147484.db2.gz JGERWERBSRVFMH-LBPRGKRZSA-N 0 0 309.818 3.150 10 30 DGEERN C=CCCCCNC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000413449023 333850550 /nfs/dbraw/zinc/85/05/50/333850550.db2.gz GGWPEEGLWJUWBA-OAHLLOKOSA-N 0 0 305.397 3.060 10 30 DGEERN CCOc1ccc(CNC(=O)C2(C#N)CCCCC2)cc1F ZINC000264291688 333955565 /nfs/dbraw/zinc/95/55/65/333955565.db2.gz HTXQEOAQSCZQCL-UHFFFAOYSA-N 0 0 304.365 3.315 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)[C@@H](C)CCSCC)cc1 ZINC000297736533 334243732 /nfs/dbraw/zinc/24/37/32/334243732.db2.gz UGMIYUYHBVOSPU-AWEZNQCLSA-N 0 0 304.459 3.341 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000519088980 335798024 /nfs/dbraw/zinc/79/80/24/335798024.db2.gz BBQIPRDMFRFERU-LYRGGWFBSA-N 0 0 324.371 3.101 10 30 DGEERN N#CC1(CNC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000519803401 335896096 /nfs/dbraw/zinc/89/60/96/335896096.db2.gz GLZYGWXISCJDDD-DLBZAZTESA-N 0 0 305.381 3.299 10 30 DGEERN C=CCCCN(C)S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000583662356 336036627 /nfs/dbraw/zinc/03/66/27/336036627.db2.gz ZGBMRHWYRHMZOU-UHFFFAOYSA-N 0 0 307.459 3.019 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000445972944 338516487 /nfs/dbraw/zinc/51/64/87/338516487.db2.gz ZSSVUTXPNRSLCO-OUCADQQQSA-N 0 0 307.356 3.405 10 30 DGEERN C=CCc1cc(CNC(=O)N2[C@@H](C)C[C@@H]2C)cc(OC)c1OC ZINC000526843716 336273205 /nfs/dbraw/zinc/27/32/05/336273205.db2.gz BRINFUSHFRFXIA-STQMWFEESA-N 0 0 318.417 3.125 10 30 DGEERN N#CCc1ccnc(NC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000526918316 336274662 /nfs/dbraw/zinc/27/46/62/336274662.db2.gz VJNICQAPTFPXAP-UHFFFAOYSA-N 0 0 303.321 3.259 10 30 DGEERN C=C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000354374438 336468541 /nfs/dbraw/zinc/46/85/41/336468541.db2.gz AJTXPMPGLMITQQ-UHFFFAOYSA-N 0 0 301.777 3.318 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1nc(C2CC2)oc1C ZINC000354746741 336480899 /nfs/dbraw/zinc/48/08/99/336480899.db2.gz MNJIGLSOKMNLNI-UHFFFAOYSA-N 0 0 300.358 3.324 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc2c(c1)CCCO2 ZINC000582906366 337215006 /nfs/dbraw/zinc/21/50/06/337215006.db2.gz OITJKQYYGUQJMC-UHFFFAOYSA-N 0 0 313.319 3.131 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000583243502 337285458 /nfs/dbraw/zinc/28/54/58/337285458.db2.gz DSQMHILWBGPFQZ-UHFFFAOYSA-N 0 0 301.173 3.014 10 30 DGEERN C=CCCCCCNC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000584419250 337323342 /nfs/dbraw/zinc/32/33/42/337323342.db2.gz AHKHFOFUEPXFIN-JKSUJKDBSA-N 0 0 306.450 3.476 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000584538068 337358827 /nfs/dbraw/zinc/35/88/27/337358827.db2.gz FONPFKDZWZOQMS-HNNXBMFYSA-N 0 0 323.481 3.056 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000583874320 337366462 /nfs/dbraw/zinc/36/64/62/337366462.db2.gz PPFYIZJQORBTAZ-KGLIPLIRSA-N 0 0 309.450 3.415 10 30 DGEERN COC([O-])=C([N+]#N)C(=O)C=Cc1cccc(Br)c1 ZINC000584606248 337371634 /nfs/dbraw/zinc/37/16/34/337371634.db2.gz HGEOPYOGYABXOP-AATRIKPKSA-O 0 0 310.127 3.258 10 30 DGEERN C=C(c1ccc(I)cc1)[C@H]1CCCO1 ZINC000584610326 337372085 /nfs/dbraw/zinc/37/20/85/337372085.db2.gz OBOFOBSSFBRNLD-GFCCVEGCSA-N 0 0 300.139 3.483 10 30 DGEERN Cc1ccccc1S(=O)(=O)/N=C/C(Cl)(Cl)Cl ZINC000584625925 337375927 /nfs/dbraw/zinc/37/59/27/337375927.db2.gz HIKLZXOCFPSOBX-AWNIVKPZSA-N 0 0 300.594 3.125 10 30 DGEERN C=C(Br)C[C@H](CCCO)OC(=O)c1ccccc1 ZINC000584640016 337379902 /nfs/dbraw/zinc/37/99/02/337379902.db2.gz BEVOXAIVVWGHET-ZDUSSCGKSA-N 0 0 313.191 3.283 10 30 DGEERN CSCCCCNC(=O)Nc1ncccc1OCCCC#N ZINC000188769312 337448344 /nfs/dbraw/zinc/44/83/44/337448344.db2.gz OTNXPCDMWNKBDB-UHFFFAOYSA-N 0 0 322.434 3.029 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@@H](C)[C@H]1C ZINC000572000989 337586010 /nfs/dbraw/zinc/58/60/10/337586010.db2.gz ZFWIGGHKDVZISA-ZYHUDNBSSA-N 0 0 303.435 3.131 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000527783850 337763895 /nfs/dbraw/zinc/76/38/95/337763895.db2.gz WWUXFWDAZWLSRK-WCQYABFASA-N 0 0 314.248 3.436 10 30 DGEERN C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C#N)C4CC4)cc3c2C1 ZINC000108828590 337841465 /nfs/dbraw/zinc/84/14/65/337841465.db2.gz UFFMBKLNEYVNGJ-VOJFVSQTSA-N 0 0 307.397 3.325 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(C)C)cc1 ZINC000515377408 337986901 /nfs/dbraw/zinc/98/69/01/337986901.db2.gz XOGRVRQGHJAVFC-IRXDYDNUSA-N 0 0 302.418 3.200 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](C2CCCCC2)C1 ZINC000541718383 338009772 /nfs/dbraw/zinc/00/97/72/338009772.db2.gz JDAVWYHLMLXAPN-SJLPKXTDSA-N 0 0 322.493 3.081 10 30 DGEERN CC#CCCNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000516350330 338010346 /nfs/dbraw/zinc/01/03/46/338010346.db2.gz IJXGOYCIFVXFJI-HXUWFJFHSA-N 0 0 318.420 3.320 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1csnn1 ZINC000516419810 338012255 /nfs/dbraw/zinc/01/22/55/338012255.db2.gz JMAPXNPKXPXYPD-GFCCVEGCSA-N 0 0 308.451 3.377 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCOC(C)(C)C1 ZINC000516476648 338013354 /nfs/dbraw/zinc/01/33/54/338013354.db2.gz VIKNUVBGRXNHTF-UHFFFAOYSA-N 0 0 306.454 3.058 10 30 DGEERN CCCCO[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C1(C)C ZINC000504405105 340147249 /nfs/dbraw/zinc/14/72/49/340147249.db2.gz ZIJZPUYMFNRRNE-HUUCEWRRSA-N 0 0 321.465 3.305 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](C(=O)OC)[C@@H]1C ZINC000505001064 340158423 /nfs/dbraw/zinc/15/84/23/340158423.db2.gz NXQJQHIXDNUPKS-ZFWWWQNUSA-N 0 0 316.401 3.221 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@H](C)C(=O)OCC ZINC000505037332 340159543 /nfs/dbraw/zinc/15/95/43/340159543.db2.gz ALXSHXAVAAERGQ-ZDUSSCGKSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@@H](C)C(=O)OCC ZINC000505037331 340159595 /nfs/dbraw/zinc/15/95/95/340159595.db2.gz ALXSHXAVAAERGQ-CYBMUJFWSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000505051049 340160071 /nfs/dbraw/zinc/16/00/71/340160071.db2.gz HZRCOBTXCSYMSZ-GOEBONIOSA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)CCN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC000505463260 340169046 /nfs/dbraw/zinc/16/90/46/340169046.db2.gz ZTHXHSJYJGXHJK-INIZCTEOSA-N 0 0 306.793 3.463 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C ZINC000508130510 340239510 /nfs/dbraw/zinc/23/95/10/340239510.db2.gz LWEBVCDPQKILBW-UHFFFAOYSA-N 0 0 309.417 3.376 10 30 DGEERN C=CCn1c(N(C)CCC)nnc1C(F)(F)Oc1ccccc1 ZINC000508464638 340244132 /nfs/dbraw/zinc/24/41/32/340244132.db2.gz NEUNKCQOQNOZSD-UHFFFAOYSA-N 0 0 322.359 3.439 10 30 DGEERN C=CCn1c(-c2cccnc2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000508700574 340251068 /nfs/dbraw/zinc/25/10/68/340251068.db2.gz QWUSPVNCYRGASA-HZPDHXFCSA-N 0 0 309.417 3.153 10 30 DGEERN C=CCn1c(COc2cccc(C)c2)nnc1N(C)CC1CC1 ZINC000508713436 340251372 /nfs/dbraw/zinc/25/13/72/340251372.db2.gz ILUYQCIBWFRWNB-UHFFFAOYSA-N 0 0 312.417 3.198 10 30 DGEERN C=C(C)CN(CC)C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000508737388 340252057 /nfs/dbraw/zinc/25/20/57/340252057.db2.gz MTEPLHLVZRTYFF-UHFFFAOYSA-N 0 0 300.324 3.254 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H](COCC)C1 ZINC000508816198 340253685 /nfs/dbraw/zinc/25/36/85/340253685.db2.gz HCDGFXNQUYYZPB-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(C(C)C)nnc1N(C)CCc1ccc(F)cc1 ZINC000508929204 340255885 /nfs/dbraw/zinc/25/58/85/340255885.db2.gz GOTKKSRUDNBJQI-UHFFFAOYSA-N 0 0 302.397 3.406 10 30 DGEERN C=CCN(C)c1nnc(C(F)(F)Oc2ccccc2)n1CC=C ZINC000508928762 340255900 /nfs/dbraw/zinc/25/59/00/340255900.db2.gz CCPKJHOOYDBQGM-UHFFFAOYSA-N 0 0 320.343 3.215 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509230713 340264195 /nfs/dbraw/zinc/26/41/95/340264195.db2.gz BEXRTIKVRRGWLG-UHFFFAOYSA-N 0 0 307.337 3.258 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000509967771 340284169 /nfs/dbraw/zinc/28/41/69/340284169.db2.gz JTBYODVMIMDNRA-QGZVFWFLSA-N 0 0 319.420 3.372 10 30 DGEERN C=C(CNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000512674159 340372519 /nfs/dbraw/zinc/37/25/19/340372519.db2.gz VFCZCPZHQMJMEQ-QZTJIDSGSA-N 0 0 314.429 3.158 10 30 DGEERN C=CC1CCN(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000174141735 340382856 /nfs/dbraw/zinc/38/28/56/340382856.db2.gz OFUONSBWRJJLRS-OAHLLOKOSA-N 0 0 302.418 3.199 10 30 DGEERN Cc1nc(NC(=O)[C@H](C)c2cccnc2)sc1SCC#N ZINC000174456463 340388954 /nfs/dbraw/zinc/38/89/54/340388954.db2.gz DTCNSIPFPKTUTJ-SECBINFHSA-N 0 0 318.427 3.204 10 30 DGEERN CCc1cnc(CCNC(=O)Nc2ccc(CC#N)cc2)s1 ZINC000174715178 340395084 /nfs/dbraw/zinc/39/50/84/340395084.db2.gz HUMTUBFZTLDGHQ-UHFFFAOYSA-N 0 0 314.414 3.136 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000175074931 340402597 /nfs/dbraw/zinc/40/25/97/340402597.db2.gz RDJRDPXXXZDPHV-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCCC[C@@H](C)C1 ZINC000516688121 340454065 /nfs/dbraw/zinc/45/40/65/340454065.db2.gz RFUHEPYVJXKXOO-OAHLLOKOSA-N 0 0 314.433 3.469 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000189142070 340527796 /nfs/dbraw/zinc/52/77/96/340527796.db2.gz GTKUSPAAPAUKQZ-PXAZEXFGSA-N 0 0 311.372 3.413 10 30 DGEERN Fc1ccc([C@@H]2CN(CC#Cc3ccccc3)CCO2)cc1F ZINC000191985957 340560881 /nfs/dbraw/zinc/56/08/81/340560881.db2.gz YIRSGTPJXFKAJE-IBGZPJMESA-N 0 0 313.347 3.390 10 30 DGEERN Cc1nc(NC(=O)Cc2ccccc2)sc1SCC#N ZINC000192634352 340568159 /nfs/dbraw/zinc/56/81/59/340568159.db2.gz UFQSUNXAEDOJOX-UHFFFAOYSA-N 0 0 303.412 3.248 10 30 DGEERN C=CCNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000303266605 340634062 /nfs/dbraw/zinc/63/40/62/340634062.db2.gz WCWSXCPMTPCFFA-UHFFFAOYSA-N 0 0 317.216 3.073 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC000529247202 340750155 /nfs/dbraw/zinc/75/01/55/340750155.db2.gz SBQRGRUHUPNTQD-IINYFYTJSA-N 0 0 313.319 3.474 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529453380 340756288 /nfs/dbraw/zinc/75/62/88/340756288.db2.gz BZVLYCRJPXMRQZ-NXOAAHMSSA-N 0 0 303.377 3.169 10 30 DGEERN C=CCC1(C(=O)Nc2cncc(OCCC)c2)CCOCC1 ZINC000529845976 340771362 /nfs/dbraw/zinc/77/13/62/340771362.db2.gz OYEJYEKQBPSAEQ-UHFFFAOYSA-N 0 0 304.390 3.182 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)nn1 ZINC000530035182 340777778 /nfs/dbraw/zinc/77/77/78/340777778.db2.gz ZVJIRMYLAJHNPS-QGZVFWFLSA-N 0 0 312.417 3.290 10 30 DGEERN C=CC(C)(C)CCN1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000530194683 340782289 /nfs/dbraw/zinc/78/22/89/340782289.db2.gz IFLIJNPYGACOPB-UHFFFAOYSA-N 0 0 322.355 3.331 10 30 DGEERN C[C@H]1C[C@@H]1c1ccc(CNC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000540942157 340952581 /nfs/dbraw/zinc/95/25/81/340952581.db2.gz QWWIZLFSMNXKJW-JSGCOSHPSA-N 0 0 301.390 3.238 10 30 DGEERN CC(C)(C)CCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000542810162 341021486 /nfs/dbraw/zinc/02/14/86/341021486.db2.gz ZXWQZEIDLWKUGH-QGZVFWFLSA-N 0 0 310.438 3.191 10 30 DGEERN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC(C)(C#N)CC1 ZINC000542815828 341021802 /nfs/dbraw/zinc/02/18/02/341021802.db2.gz CRWZUCBUBPIPDE-AWEZNQCLSA-N 0 0 312.413 3.095 10 30 DGEERN CC#CCCNC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000543605939 341051004 /nfs/dbraw/zinc/05/10/04/341051004.db2.gz ZSBWRZIVWYUTLC-UHFFFAOYSA-N 0 0 320.436 3.218 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2ccc3c(c2)ncn3C)no1)OCC ZINC000544981411 341102724 /nfs/dbraw/zinc/10/27/24/341102724.db2.gz AQLLGEDPISWOSU-HNNXBMFYSA-N 0 0 312.373 3.147 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2cc3[nH]cnc3c(C)c2)no1)OCC ZINC000544986485 341102940 /nfs/dbraw/zinc/10/29/40/341102940.db2.gz RBOYHPGBLNEVEJ-AWEZNQCLSA-N 0 0 312.373 3.445 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1nc(-c2sccc2C)ns1 ZINC000131827888 341112342 /nfs/dbraw/zinc/11/23/42/341112342.db2.gz JTFIFXQRJCNKTB-JTQLQIEISA-N 0 0 323.443 3.495 10 30 DGEERN CSCCCCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000132959774 341150744 /nfs/dbraw/zinc/15/07/44/341150744.db2.gz FTGIGZIMQNVNJN-OAHLLOKOSA-N 0 0 305.447 3.474 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000547356262 341208519 /nfs/dbraw/zinc/20/85/19/341208519.db2.gz UBNBNRPKPLLSBI-RISCZKNCSA-N 0 0 315.335 3.457 10 30 DGEERN C=C[C@H](CC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000135934244 341248506 /nfs/dbraw/zinc/24/85/06/341248506.db2.gz XALPOQRHAPFBCG-QGZVFWFLSA-N 0 0 320.392 3.413 10 30 DGEERN C=C1CCN(c2nnc(COCC)n2Cc2ccccc2)CC1 ZINC000549157332 341287490 /nfs/dbraw/zinc/28/74/90/341287490.db2.gz UQKJSVOOYJYEQC-UHFFFAOYSA-N 0 0 312.417 3.019 10 30 DGEERN C=CCOc1ccc(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000081450650 341291269 /nfs/dbraw/zinc/29/12/69/341291269.db2.gz QBNKADWGYQNMRI-CYBMUJFWSA-N 0 0 319.401 3.054 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2ccccc2F)n1CC ZINC000549400191 341293235 /nfs/dbraw/zinc/29/32/35/341293235.db2.gz UTHUXCHKCGTHCC-UHFFFAOYSA-N 0 0 302.397 3.430 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000553365480 341426869 /nfs/dbraw/zinc/42/68/69/341426869.db2.gz KVTFJPAEFWCROV-WFASDCNBSA-N 0 0 310.825 3.417 10 30 DGEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000554921169 341469353 /nfs/dbraw/zinc/46/93/53/341469353.db2.gz KOOQOWNACAPQPH-HOCLYGCPSA-N 0 0 312.392 3.183 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000565408258 341526597 /nfs/dbraw/zinc/52/65/97/341526597.db2.gz OMDAZXPRSYAJSX-KSZLIROESA-N 0 0 315.413 3.126 10 30 DGEERN C=CCOc1cccc(NC(=O)NCCOCC2CCC2)c1 ZINC000565513908 341529734 /nfs/dbraw/zinc/52/97/34/341529734.db2.gz QYDMQMLUFLVTSC-UHFFFAOYSA-N 0 0 304.390 3.190 10 30 DGEERN CC(C)(C#N)c1ccc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC000566017328 341545557 /nfs/dbraw/zinc/54/55/57/341545557.db2.gz MQHLCDVZKHOUDR-OAHLLOKOSA-N 0 0 324.384 3.315 10 30 DGEERN C=CCCCCCNC(=O)N(CCO)Cc1ccc(C)cc1 ZINC000566434853 341558011 /nfs/dbraw/zinc/55/80/11/341558011.db2.gz JKLSDHYSTYAFSS-UHFFFAOYSA-N 0 0 304.434 3.245 10 30 DGEERN C=CCN(C(=O)CCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000154572136 341591653 /nfs/dbraw/zinc/59/16/53/341591653.db2.gz KZLWWNJIYBCWRG-UHFFFAOYSA-N 0 0 322.408 3.198 10 30 DGEERN C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCCC1(C)C ZINC000567856567 341637149 /nfs/dbraw/zinc/63/71/49/341637149.db2.gz MQTMSPWUGXCVAS-UHFFFAOYSA-N 0 0 302.344 3.338 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000568179935 341656910 /nfs/dbraw/zinc/65/69/10/341656910.db2.gz AQWZAGVCSPIPLX-UHFFFAOYSA-N 0 0 307.350 3.471 10 30 DGEERN CC#CCCNC(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000568506268 341673309 /nfs/dbraw/zinc/67/33/09/341673309.db2.gz VMNBSGQOAZMVNP-CABCVRRESA-N 0 0 324.428 3.302 10 30 DGEERN N#CC1(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCCC1 ZINC000168881827 341753697 /nfs/dbraw/zinc/75/36/97/341753697.db2.gz KGASARMTKIXEPN-CYBMUJFWSA-N 0 0 310.319 3.360 10 30 DGEERN C=CCC1(C(=O)NCCc2cc3ccccc3[nH]2)CCOCC1 ZINC000577723336 341931720 /nfs/dbraw/zinc/93/17/20/341931720.db2.gz RWYLQZRGFJIPDY-UHFFFAOYSA-N 0 0 312.413 3.200 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000439410867 500571217 /nfs/dbraw/zinc/57/12/17/500571217.db2.gz MUNHLKUUMKUPAL-GFCCVEGCSA-N 0 0 319.405 3.049 10 30 DGEERN C[C@@H](SCc1nsc(N(C)C)n1)c1cccc(C#N)c1 ZINC000190823220 534002353 /nfs/dbraw/zinc/00/23/53/534002353.db2.gz CXHHNZVOLNNWDX-SNVBAGLBSA-N 0 0 304.444 3.470 10 30 DGEERN C[C@@H]1CC(CNc2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000296730128 534148578 /nfs/dbraw/zinc/14/85/78/534148578.db2.gz ILBVGJSRMJLQEW-NXEZZACHSA-N 0 0 324.222 3.331 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(Sc2ccccc2)CC1 ZINC000469412753 534358146 /nfs/dbraw/zinc/35/81/46/534358146.db2.gz WSCVMADXPPCSCF-HZPDHXFCSA-N 0 0 317.454 3.409 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000469530797 534360837 /nfs/dbraw/zinc/36/08/37/534360837.db2.gz IRTJMUJFLITDPL-KLHDSHLOSA-N 0 0 309.450 3.068 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000468945612 534357270 /nfs/dbraw/zinc/35/72/70/534357270.db2.gz KQXIXEPTGJVRHN-HZPDHXFCSA-N 0 0 319.832 3.469 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000455584959 534404617 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C=CC1CCN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000455647696 534523275 /nfs/dbraw/zinc/52/32/75/534523275.db2.gz BIBMHDIRKRTJNJ-SNVBAGLBSA-N 0 0 319.352 3.354 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)COc1ccc(C(=O)CC)cc1 ZINC000488836835 534545235 /nfs/dbraw/zinc/54/52/35/534545235.db2.gz BMPBRBXFSWNBDS-OAHLLOKOSA-N 0 0 301.386 3.225 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000451387218 534579314 /nfs/dbraw/zinc/57/93/14/534579314.db2.gz YZTKAVNLISWZEI-DGNOSDGRSA-N 0 0 323.795 3.375 10 30 DGEERN N#CCCCCNC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000178743418 534600312 /nfs/dbraw/zinc/60/03/12/534600312.db2.gz QNXUHNQFWJZZDP-UHFFFAOYSA-N 0 0 308.385 3.242 10 30 DGEERN N#CCC[C@@H](NC(=O)CCc1ccccc1O)c1ccccc1 ZINC000153214262 534654510 /nfs/dbraw/zinc/65/45/10/534654510.db2.gz JXRYADQFUWKSBZ-QGZVFWFLSA-N 0 0 308.381 3.486 10 30 DGEERN CCc1nnc(NCCC[C@H]2CCCC[C@@H]2O)c(C#N)c1CC ZINC000154534091 522777229 /nfs/dbraw/zinc/77/72/29/522777229.db2.gz KXKKGQXZWSODKJ-DYVFJYSZSA-N 0 0 316.449 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/nfs/dbraw/zinc/83/66/47/526836647.db2.gz BXRABEKLHYVXQX-IAQYHMDHSA-N 0 0 306.431 3.460 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCOC[C@H]2CC2CCC2)cc1 ZINC000341334563 526840359 /nfs/dbraw/zinc/84/03/59/526840359.db2.gz AUUWFNYKYOVAAO-QGZVFWFLSA-N 0 0 315.413 3.283 10 30 DGEERN C=C(CNC(=O)C[C@@H](NC(C)=O)c1ccccc1)c1ccccc1 ZINC000345788720 526866813 /nfs/dbraw/zinc/86/68/13/526866813.db2.gz UOQWZYVROASTBO-LJQANCHMSA-N 0 0 322.408 3.084 10 30 DGEERN C=CCOc1ccc(CN2CCNC(=O)c3ccccc32)cc1 ZINC000356335519 526869494 /nfs/dbraw/zinc/86/94/94/526869494.db2.gz FABHDQIALIHXJV-UHFFFAOYSA-N 0 0 308.381 3.001 10 30 DGEERN C=C(CNC(=O)NCc1cc(F)ccc1OC)c1ccccc1 ZINC000355096492 526872193 /nfs/dbraw/zinc/87/21/93/526872193.db2.gz OLLZSHQELPHMDG-UHFFFAOYSA-N 0 0 314.360 3.347 10 30 DGEERN C=CCOc1ccc(CNC(=O)Nc2c(C)onc2CC)cc1 ZINC000350024048 526881947 /nfs/dbraw/zinc/88/19/47/526881947.db2.gz XZAYTZDMGBUVKV-UHFFFAOYSA-N 0 0 315.373 3.432 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2c(C)[nH]nc2C(C)C)cc1 ZINC000359092953 526883450 /nfs/dbraw/zinc/88/34/50/526883450.db2.gz AJNYPPQMBCIHMP-UHFFFAOYSA-N 0 0 313.401 3.336 10 30 DGEERN C=CCOc1cccc(CNC(C)(C)c2noc(CC)n2)c1 ZINC000441207571 526901433 /nfs/dbraw/zinc/90/14/33/526901433.db2.gz QNOMDKYPOIGFNC-UHFFFAOYSA-N 0 0 301.390 3.222 10 30 DGEERN CC(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2C)ccc1F ZINC000160414576 526924969 /nfs/dbraw/zinc/92/49/69/526924969.db2.gz FVYJRXIKHIWCCA-UHFFFAOYSA-N 0 0 311.316 3.217 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C ZINC000174492971 526926766 /nfs/dbraw/zinc/92/67/66/526926766.db2.gz PWDCPYKNFSQECJ-GOSISDBHSA-N 0 0 305.418 3.168 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159929461 526927910 /nfs/dbraw/zinc/92/79/10/526927910.db2.gz DNMIBULCEJSNSF-UHFFFAOYSA-N 0 0 309.369 3.480 10 30 DGEERN C=CCOc1cccnc1C(=O)N(CCC)C[C@H]1CCCCO1 ZINC000341932242 526954773 /nfs/dbraw/zinc/95/47/73/526954773.db2.gz MBLDNJLNTJXDBT-OAHLLOKOSA-N 0 0 318.417 3.068 10 30 DGEERN CC(C)(CC#N)CS(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000408458604 526958495 /nfs/dbraw/zinc/95/84/95/526958495.db2.gz UOHSYKBVOQWYSC-MRXNPFEDSA-N 0 0 310.463 3.078 10 30 DGEERN C=CCSCCNC(=O)N(C)[C@H](C)Cc1ccccc1C ZINC000445025393 526987622 /nfs/dbraw/zinc/98/76/22/526987622.db2.gz ZTXOXUZBEYQIED-OAHLLOKOSA-N 0 0 306.475 3.487 10 30 DGEERN C=CCSCCNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000341318568 526993983 /nfs/dbraw/zinc/99/39/83/526993983.db2.gz XBKTWKUBNUJRRV-CVEARBPZSA-N 0 0 320.458 3.125 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000432582516 527005428 /nfs/dbraw/zinc/00/54/28/527005428.db2.gz DAEQQEGMPRDHNB-MRXNPFEDSA-N 0 0 318.417 3.077 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCc2cc(OC)c(F)cc2C1 ZINC000347017808 527026645 /nfs/dbraw/zinc/02/66/45/527026645.db2.gz YQLTXRDFDPBCOJ-UHFFFAOYSA-N 0 0 303.377 3.487 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@H](C3CCCCC3)C2)CCOCC1 ZINC000424787900 527045696 /nfs/dbraw/zinc/04/56/96/527045696.db2.gz VICJBEVJXJXYHN-KRWDZBQOSA-N 0 0 321.461 3.167 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CCCC1 ZINC000410627732 527045745 /nfs/dbraw/zinc/04/57/45/527045745.db2.gz VLMYKNPEFLMZSV-OAHLLOKOSA-N 0 0 312.413 3.129 10 30 DGEERN C=CCC1(C(=O)N2CCOc3ccc(C)cc3C2)CCOCC1 ZINC000424824201 527045896 /nfs/dbraw/zinc/04/58/96/527045896.db2.gz BSAKNKIJPSGHLW-UHFFFAOYSA-N 0 0 315.413 3.089 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@H](COc3ccccc3)C2)CCC1 ZINC000360556794 527046169 /nfs/dbraw/zinc/04/61/69/527046169.db2.gz NLTQVHHQASATOY-KRWDZBQOSA-N 0 0 315.413 3.039 10 30 DGEERN C=CCC1(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000424586596 527053822 /nfs/dbraw/zinc/05/38/22/527053822.db2.gz FOZUGPHFBVAVIW-JKSUJKDBSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCC1(C(=O)NCc2cccc3cccnc32)CCOCC1 ZINC000424620079 527057082 /nfs/dbraw/zinc/05/70/82/527057082.db2.gz UTVBTAATSBXFCH-UHFFFAOYSA-N 0 0 310.397 3.224 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc(OC)cc2)CCOCC1 ZINC000424568436 527057907 /nfs/dbraw/zinc/05/79/07/527057907.db2.gz KYQXXRNMGJSEIC-CQSZACIVSA-N 0 0 303.402 3.245 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(-c3ncon3)cc2)CCOCC1 ZINC000424636355 527060235 /nfs/dbraw/zinc/06/02/35/527060235.db2.gz DCWJTNXMGGYYIC-UHFFFAOYSA-N 0 0 313.357 3.048 10 30 DGEERN C=CCC1(C(=O)Nc2cc(F)c(F)cc2OC)CCOCC1 ZINC000425636270 527060527 /nfs/dbraw/zinc/06/05/27/527060527.db2.gz XHHAOOHWBQIANO-UHFFFAOYSA-N 0 0 311.328 3.285 10 30 DGEERN C=CCCC(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000338399353 527066661 /nfs/dbraw/zinc/06/66/61/527066661.db2.gz NKMBLHWFMSMUJJ-UHFFFAOYSA-N 0 0 314.772 3.370 10 30 DGEERN C=CCCC(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000337381404 527076012 /nfs/dbraw/zinc/07/60/12/527076012.db2.gz JKSBNDCNGGAOIY-XNRPHZJLSA-N 0 0 315.413 3.347 10 30 DGEERN C#CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000297700086 527083665 /nfs/dbraw/zinc/08/36/65/527083665.db2.gz IHIOIESBRLIJNI-MRVPVSSYSA-N 0 0 305.683 3.336 10 30 DGEERN C#CCO[C@H](C)c1nc([C@@H](OC)c2cccc(Cl)c2)no1 ZINC000297883220 527085913 /nfs/dbraw/zinc/08/59/13/527085913.db2.gz VCFQRGXCVJWTKY-MFKMUULPSA-N 0 0 306.749 3.170 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000183150531 527092853 /nfs/dbraw/zinc/09/28/53/527092853.db2.gz AIYFBKVQLHHTEK-STQMWFEESA-N 0 0 302.374 3.038 10 30 DGEERN C=CC[C@@H](CO)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000185798919 527097395 /nfs/dbraw/zinc/09/73/95/527097395.db2.gz BVENSDSQYBDFMH-GUYCJALGSA-N 0 0 313.397 3.005 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1sc(-c2ccccc2)cc1OC ZINC000185744826 527100602 /nfs/dbraw/zinc/10/06/02/527100602.db2.gz LDKCBPDWNMMTDO-ZDUSSCGKSA-N 0 0 317.410 3.091 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1sc(-c2ccccc2C)nc1C ZINC000337077563 527100662 /nfs/dbraw/zinc/10/06/62/527100662.db2.gz RVQMRCQUDCAECY-ZDUSSCGKSA-N 0 0 316.426 3.094 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000185765432 527100724 /nfs/dbraw/zinc/10/07/24/527100724.db2.gz QJJUFYCYAYPVBO-HNNXBMFYSA-N 0 0 322.364 3.017 10 30 DGEERN C=CCCCC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000178584768 527105907 /nfs/dbraw/zinc/10/59/07/527105907.db2.gz AHDCAXGJDLJDQL-IAGOWNOFSA-N 0 0 315.413 3.148 10 30 DGEERN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911507 527115541 /nfs/dbraw/zinc/11/55/41/527115541.db2.gz XYAWVDBJIHGCPU-CABCVRRESA-N 0 0 324.428 3.038 10 30 DGEERN C=CC[C@H](C(=O)N1CC(CO)(c2ccccc2)C1)c1ccccc1 ZINC000412776539 527119362 /nfs/dbraw/zinc/11/93/62/527119362.db2.gz VCXJRJVINSUQGV-IBGZPJMESA-N 0 0 321.420 3.119 10 30 DGEERN C=CCCCCCN(C)C(=O)Nc1cncc(C(=O)OC)c1 ZINC000180581656 527125170 /nfs/dbraw/zinc/12/51/70/527125170.db2.gz YMQOLDGMLUUMRF-UHFFFAOYSA-N 0 0 305.378 3.078 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000281506834 527148831 /nfs/dbraw/zinc/14/88/31/527148831.db2.gz XDFRLOHYOSFTOZ-DOTOQJQBSA-N 0 0 318.417 3.133 10 30 DGEERN C=CCCCCNC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000364206161 527150540 /nfs/dbraw/zinc/15/05/40/527150540.db2.gz FRRLSHFITHNATC-UHFFFAOYSA-N 0 0 302.422 3.030 10 30 DGEERN C=CCCCCNC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433719825 527161622 /nfs/dbraw/zinc/16/16/22/527161622.db2.gz QRRQCZGGZCLSQC-UHFFFAOYSA-N 0 0 319.405 3.051 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](OC)c1ccccc1 ZINC000287164271 527162132 /nfs/dbraw/zinc/16/21/32/527162132.db2.gz GRZPLKWVENQTET-OALUTQOASA-N 0 0 307.393 3.125 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(C)o1 ZINC000287209755 527170977 /nfs/dbraw/zinc/17/09/77/527170977.db2.gz DWHAPSDHDNOXPW-QGZVFWFLSA-N 0 0 310.397 3.364 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000342215165 527182317 /nfs/dbraw/zinc/18/23/17/527182317.db2.gz SBRNZDFNMSGTEZ-LBPRGKRZSA-N 0 0 303.333 3.000 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000076953145 527184756 /nfs/dbraw/zinc/18/47/56/527184756.db2.gz PPRIVSHOQXCEKW-UHFFFAOYSA-N 0 0 316.380 3.119 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000076940060 527184875 /nfs/dbraw/zinc/18/48/75/527184875.db2.gz WAZXSWYXWJZQQL-ZDUSSCGKSA-N 0 0 306.406 3.372 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C)cc1OCCOC ZINC000133784996 527187432 /nfs/dbraw/zinc/18/74/32/527187432.db2.gz AGMWYLBQYODXNL-UHFFFAOYSA-N 0 0 306.406 3.450 10 30 DGEERN C=CCCCN(C)C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000346805416 527188999 /nfs/dbraw/zinc/18/89/99/527188999.db2.gz ZUDYALGHCBRCSY-UHFFFAOYSA-N 0 0 324.424 3.493 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000076492269 527190080 /nfs/dbraw/zinc/19/00/80/527190080.db2.gz OYSSBWZMAIGYRU-QGZVFWFLSA-N 0 0 303.402 3.283 10 30 DGEERN C=CC[C@H](CO)NC(=O)CC1(CSc2ccccc2)CC1 ZINC000186370225 527193369 /nfs/dbraw/zinc/19/33/69/527193369.db2.gz XLZSQIXZYSCDFX-CQSZACIVSA-N 0 0 305.443 3.002 10 30 DGEERN C=CC[C@H](CO)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000185871726 527193845 /nfs/dbraw/zinc/19/38/45/527193845.db2.gz JKIXWLQYRLZVIJ-CQSZACIVSA-N 0 0 309.365 3.182 10 30 DGEERN C=CC[C@H](CO)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000185899816 527194121 /nfs/dbraw/zinc/19/41/21/527194121.db2.gz KRMROGVAPCFFDD-SNVBAGLBSA-N 0 0 320.241 3.139 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2ccccn2)n1CC(=C)C ZINC000283614856 527195019 /nfs/dbraw/zinc/19/50/19/527195019.db2.gz NIHRMHYNWAECTK-UHFFFAOYSA-N 0 0 311.433 3.242 10 30 DGEERN C=CCCCN(C)c1nnc(CCc2ccco2)n1CC=C ZINC000337867648 527195254 /nfs/dbraw/zinc/19/52/54/527195254.db2.gz RKBGONCRSBAELZ-UHFFFAOYSA-N 0 0 300.406 3.245 10 30 DGEERN C=CCCCN(C)c1nnc([C@@H](C)CC)n1C[C@H]1CCOC1 ZINC000339161515 527195436 /nfs/dbraw/zinc/19/54/36/527195436.db2.gz FYVCZBVDVOYBSI-LSDHHAIUSA-N 0 0 306.454 3.231 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cccn2C)n1CC(C)C ZINC000338984574 527195896 /nfs/dbraw/zinc/19/58/96/527195896.db2.gz DWRQFYICLHGVFK-UHFFFAOYSA-N 0 0 301.438 3.342 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000413690111 527199935 /nfs/dbraw/zinc/19/99/35/527199935.db2.gz ASFGXNHGEVKSCH-NUEKZKHPSA-N 0 0 322.836 3.212 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000185284402 527203050 /nfs/dbraw/zinc/20/30/50/527203050.db2.gz NIQBUPYWELWBLJ-GFCCVEGCSA-N 0 0 317.389 3.184 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000184658757 527203084 /nfs/dbraw/zinc/20/30/84/527203084.db2.gz BVDHJYZTYYPXTM-GFCCVEGCSA-N 0 0 317.414 3.232 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000185880445 527205060 /nfs/dbraw/zinc/20/50/60/527205060.db2.gz SLBNYUIZJZVVBC-IJLUTSLNSA-N 0 0 314.212 3.150 10 30 DGEERN C=CCCCNC(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000448044690 527221861 /nfs/dbraw/zinc/22/18/61/527221861.db2.gz WHZBRSZTCXAPLQ-AWEZNQCLSA-N 0 0 324.808 3.210 10 30 DGEERN C=CCCCNC(=O)NCc1ccccc1N1CCCCC1 ZINC000448382832 527222071 /nfs/dbraw/zinc/22/20/71/527222071.db2.gz APCIFAOUBXVRTO-UHFFFAOYSA-N 0 0 301.434 3.442 10 30 DGEERN C=CC[C@H]1N(C(=O)Nc2cn(C)nc2OC)CCCC1(C)C ZINC000446257011 527224818 /nfs/dbraw/zinc/22/48/18/527224818.db2.gz WIADVUUYEXXARY-CYBMUJFWSA-N 0 0 306.410 3.027 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000444864562 527227564 /nfs/dbraw/zinc/22/75/64/527227564.db2.gz IZQQOQBFBNTFRM-UHFFFAOYSA-N 0 0 310.401 3.418 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@H](c2cccs2)C1 ZINC000302104148 527228807 /nfs/dbraw/zinc/22/88/07/527228807.db2.gz MQGGERJDKKPQTG-INIZCTEOSA-N 0 0 312.394 3.400 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@H](c2ccsc2)C1 ZINC000302107511 527229703 /nfs/dbraw/zinc/22/97/03/527229703.db2.gz OCYMLQMRLNWWDJ-KRWDZBQOSA-N 0 0 312.394 3.400 10 30 DGEERN C=CCc1cc(CN(C[C@H](C)C#N)C2CC2)cc(OC)c1O ZINC000354032519 527236169 /nfs/dbraw/zinc/23/61/69/527236169.db2.gz BELFGESHWPTDPG-CYBMUJFWSA-N 0 0 300.402 3.253 10 30 DGEERN C=CCc1cc(CNC(=O)N[C@@H]2CC[C@H]2C)cc(OC)c1OC ZINC000347818132 527241009 /nfs/dbraw/zinc/24/10/09/527241009.db2.gz TVKNCBRBQKZVDY-IUODEOHRSA-N 0 0 318.417 3.030 10 30 DGEERN C=CCc1ccc(OCc2nc(-c3cccnc3)no2)c(OC)c1 ZINC000345702031 527256318 /nfs/dbraw/zinc/25/63/18/527256318.db2.gz FLOIGAVPVNEBQX-UHFFFAOYSA-N 0 0 323.352 3.448 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000355586146 527258612 /nfs/dbraw/zinc/25/86/12/527258612.db2.gz SKLOHDDLZNQADC-XJKSGUPXSA-N 0 0 302.418 3.383 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C#N)CC1 ZINC000337822726 527266255 /nfs/dbraw/zinc/26/62/55/527266255.db2.gz SVNVYJLEUNPCCZ-UHFFFAOYSA-N 0 0 311.389 3.081 10 30 DGEERN C=CCn1c(-c2cccn2C)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000350731074 527276307 /nfs/dbraw/zinc/27/63/07/527276307.db2.gz YFWSYDYJPCFGIK-AWEZNQCLSA-N 0 0 311.433 3.239 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(CCC#N)CCC(C)C ZINC000350723495 527278442 /nfs/dbraw/zinc/27/84/42/527278442.db2.gz XPBJWTRSBHJQIL-UHFFFAOYSA-N 0 0 313.405 3.490 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC000337841152 527281361 /nfs/dbraw/zinc/28/13/61/527281361.db2.gz FMXQMKSSLHTURO-CQSZACIVSA-N 0 0 318.446 3.302 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N(CC)CC1CCC1 ZINC000350740486 527281712 /nfs/dbraw/zinc/28/17/12/527281712.db2.gz CWLABMVRILFAIS-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000179795548 527285032 /nfs/dbraw/zinc/28/50/32/527285032.db2.gz HMMXPYLIMOVWPH-WFASDCNBSA-N 0 0 318.442 3.351 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000282401512 527299582 /nfs/dbraw/zinc/29/95/82/527299582.db2.gz WNPUVJKABGSTKN-ZDUSSCGKSA-N 0 0 317.462 3.175 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H]1CSC ZINC000351173338 527315790 /nfs/dbraw/zinc/31/57/90/527315790.db2.gz WOFQIEUWVFYMRF-CQSZACIVSA-N 0 0 308.495 3.385 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC000350731039 527316030 /nfs/dbraw/zinc/31/60/30/527316030.db2.gz XXPHHEFBFYHMQG-HOTGVXAUSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCCN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000344288880 527317078 /nfs/dbraw/zinc/31/70/78/527317078.db2.gz UNTRXIIAXPZTEY-UHFFFAOYSA-N 0 0 307.353 3.394 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)Cc1ccccc1 ZINC000337896350 527319973 /nfs/dbraw/zinc/31/99/73/527319973.db2.gz DLHKLMKQFNWZHN-UHFFFAOYSA-N 0 0 322.412 3.479 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@H]1C ZINC000350751132 527321534 /nfs/dbraw/zinc/32/15/34/527321534.db2.gz ASSOMWUAMOCUEN-UONOGXRCSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(COCC)nnc1N1CCC[C@@H]1CC(C)(C)C ZINC000350599100 527322842 /nfs/dbraw/zinc/32/28/42/527322842.db2.gz NUBRRAKJVQGYQK-CQSZACIVSA-N 0 0 306.454 3.406 10 30 DGEERN C=CCn1c(COc2cccc(C)c2)nnc1N(CC)C1CC1 ZINC000350751956 527325564 /nfs/dbraw/zinc/32/55/64/527325564.db2.gz KCYGJEGIVYCEPB-UHFFFAOYSA-N 0 0 312.417 3.340 10 30 DGEERN C=CCn1c(Cc2ccccc2F)nnc1N(CC)C1CC1 ZINC000351070537 527326508 /nfs/dbraw/zinc/32/65/08/527326508.db2.gz BBOYCRNJSIMHKP-UHFFFAOYSA-N 0 0 300.381 3.183 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000351078666 527327414 /nfs/dbraw/zinc/32/74/14/527327414.db2.gz YVBALSBXORYCJC-HNNXBMFYSA-N 0 0 323.444 3.219 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000350740341 527327921 /nfs/dbraw/zinc/32/79/21/527327921.db2.gz ANRLVNQWKBHRKG-ZIAGYGMSSA-N 0 0 300.431 3.105 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000348037356 527328802 /nfs/dbraw/zinc/32/88/02/527328802.db2.gz CGYCZHMHIQBKIA-MRXNPFEDSA-N 0 0 309.450 3.167 10 30 DGEERN C=CCCOCCCCC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000342967808 527331741 /nfs/dbraw/zinc/33/17/41/527331741.db2.gz CMDDQXXWOSELAK-OAHLLOKOSA-N 0 0 323.458 3.411 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000358554021 527332928 /nfs/dbraw/zinc/33/29/28/527332928.db2.gz BCBBGOFFJXAPBD-HIFRSBDPSA-N 0 0 301.377 3.253 10 30 DGEERN C=CCCOCCCCC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000342976887 527336839 /nfs/dbraw/zinc/33/68/39/527336839.db2.gz FWCJJOBOPNPTJF-NVXWUHKLSA-N 0 0 317.429 3.430 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000337772150 527347985 /nfs/dbraw/zinc/34/79/85/527347985.db2.gz DYSBXCNQARYNSP-MAUKXSAKSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC ZINC000282151527 527349283 /nfs/dbraw/zinc/34/92/83/527349283.db2.gz CECDFZHPVPWTLP-GFCCVEGCSA-N 0 0 304.369 3.199 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181494248 527358757 /nfs/dbraw/zinc/35/87/57/527358757.db2.gz OWOMXLXHDLULLJ-YOEHRIQHSA-N 0 0 302.418 3.120 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccco1 ZINC000424125141 527359888 /nfs/dbraw/zinc/35/98/88/527359888.db2.gz NKVGWIMMSOVJAE-CYBMUJFWSA-N 0 0 304.419 3.262 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CCC1CC1 ZINC000337868174 527360939 /nfs/dbraw/zinc/36/09/39/527360939.db2.gz SBUXBJVCDXDFDR-QGZVFWFLSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000357296958 527391451 /nfs/dbraw/zinc/39/14/51/527391451.db2.gz ZUEHXVCENLSPLE-BEFAXECRSA-N 0 0 315.413 3.016 10 30 DGEERN C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000340826220 527397407 /nfs/dbraw/zinc/39/74/07/527397407.db2.gz WYCYZVDIAYGJDW-CYBMUJFWSA-N 0 0 316.401 3.027 10 30 DGEERN C#C[C@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000288266263 527399267 /nfs/dbraw/zinc/39/92/67/527399267.db2.gz HUAOXDLDYSZVFQ-RISCZKNCSA-N 0 0 303.362 3.003 10 30 DGEERN C=C[C@@H](C)NC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433916350 527402529 /nfs/dbraw/zinc/40/25/29/527402529.db2.gz XSBNMKJOODIRQO-LLVKDONJSA-N 0 0 311.223 3.473 10 30 DGEERN C=C[C@@H](CC(=O)N1CC(CO)(c2ccccc2)C1)c1ccccc1 ZINC000412768436 527418602 /nfs/dbraw/zinc/41/86/02/527418602.db2.gz BJAIAEQLGXNPRU-KRWDZBQOSA-N 0 0 321.420 3.119 10 30 DGEERN C=CCC[C@@H](C(=O)N[C@H](CCC)C(=O)OC)c1ccccc1 ZINC000428025068 527424329 /nfs/dbraw/zinc/42/43/29/527424329.db2.gz QPYWXQGQKOGBQR-HZPDHXFCSA-N 0 0 303.402 3.194 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000362475059 527453352 /nfs/dbraw/zinc/45/33/52/527453352.db2.gz WONPOEFWGMEVHV-OAHLLOKOSA-N 0 0 300.406 3.254 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000151566437 527456148 /nfs/dbraw/zinc/45/61/48/527456148.db2.gz PXSRUTFNWRSPDI-MRXNPFEDSA-N 0 0 312.394 3.335 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000153249065 527458026 /nfs/dbraw/zinc/45/80/26/527458026.db2.gz TVGDOECZLCLMLF-GUYCJALGSA-N 0 0 306.365 3.354 10 30 DGEERN C=CCC[C@H](C(=O)NCc1noc(C2CC2)n1)c1ccccc1 ZINC000427536181 527464043 /nfs/dbraw/zinc/46/40/43/527464043.db2.gz YEVFJGAAQPIROP-HNNXBMFYSA-N 0 0 311.385 3.313 10 30 DGEERN C=CCC[C@H](NC(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000130949249 527476272 /nfs/dbraw/zinc/47/62/72/527476272.db2.gz AYHOABBVURTQFN-SFHVURJKSA-N 0 0 313.445 3.184 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000425864680 527494853 /nfs/dbraw/zinc/49/48/53/527494853.db2.gz ZRUIMBNWQYFPOQ-JYJNAYRXSA-N 0 0 308.466 3.435 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000424920001 527497173 /nfs/dbraw/zinc/49/71/73/527497173.db2.gz YHJINPUBYXFHLW-SDBXPKJASA-N 0 0 318.175 3.453 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1Cl ZINC000424928532 527498322 /nfs/dbraw/zinc/49/83/22/527498322.db2.gz ZMVNIQQHYBZWJN-LRDDRELGSA-N 0 0 323.820 3.448 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1ccc(Br)cc1C#N ZINC000425277799 527498980 /nfs/dbraw/zinc/49/89/80/527498980.db2.gz GAKZOYFIARXJCI-HZMBPMFUSA-N 0 0 307.191 3.324 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1cc(OCc2ccccc2)ncn1 ZINC000425264024 527499563 /nfs/dbraw/zinc/49/95/63/527499563.db2.gz NRUCWZBQYVFTIS-HOTGVXAUSA-N 0 0 311.385 3.059 10 30 DGEERN C=CCCc1ccccc1NC(=O)COCc1cc(C)no1 ZINC000338001271 527505772 /nfs/dbraw/zinc/50/57/72/527505772.db2.gz WAKRIKFNRWNKPQ-UHFFFAOYSA-N 0 0 300.358 3.257 10 30 DGEERN C=CCCc1ccccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000443415351 527512511 /nfs/dbraw/zinc/51/25/11/527512511.db2.gz FWHKGXITUFPXGG-UHFFFAOYSA-N 0 0 312.394 3.478 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000424601445 527527913 /nfs/dbraw/zinc/52/79/13/527527913.db2.gz PRJGLDAEMLGPBM-SJORKVTESA-N 0 0 324.428 3.310 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(-c2cccnc2OC(C)C)no1 ZINC000347236019 527535609 /nfs/dbraw/zinc/53/56/09/527535609.db2.gz GATSPROLRTWTMA-KRWDZBQOSA-N 0 0 317.389 3.399 10 30 DGEERN C=C[C@@](C)(CCOC)c1nc(CC2CCC(OC)CC2)no1 ZINC000346948522 527537214 /nfs/dbraw/zinc/53/72/14/527537214.db2.gz VBVWTMPYAXRKIC-KVULBXGLSA-N 0 0 308.422 3.298 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000359435928 527538223 /nfs/dbraw/zinc/53/82/23/527538223.db2.gz GGKCVHWVWCEHDL-ZWKOTPCHSA-N 0 0 323.383 3.402 10 30 DGEERN C=C[C@H](C)NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000362658537 527561891 /nfs/dbraw/zinc/56/18/91/527561891.db2.gz OAQFSYAMPZUWFX-LBPRGKRZSA-N 0 0 315.348 3.387 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155767592 527564261 /nfs/dbraw/zinc/56/42/61/527564261.db2.gz BTAQBRJVNUXTTP-WRWORJQWSA-N 0 0 308.250 3.442 10 30 DGEERN C=CCN(CC(=O)Nc1ccnn1CC1CCCCC1)C1CC1 ZINC000357525668 527583571 /nfs/dbraw/zinc/58/35/71/527583571.db2.gz BCVYWZZCSPNHSG-UHFFFAOYSA-N 0 0 316.449 3.052 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428901370 527584885 /nfs/dbraw/zinc/58/48/85/527584885.db2.gz KUEUVZZKARPHET-UHFFFAOYSA-N 0 0 311.712 3.161 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccccc1OC ZINC000299314679 527585034 /nfs/dbraw/zinc/58/50/34/527585034.db2.gz UVDFEXSUTWUSOL-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(OC(C)C)cn1 ZINC000435497200 527588030 /nfs/dbraw/zinc/58/80/30/527588030.db2.gz WMLBVKSAERSGEX-UHFFFAOYSA-N 0 0 302.296 3.059 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000346599764 527588177 /nfs/dbraw/zinc/58/81/77/527588177.db2.gz ANXJXQKONCZAFE-LLVKDONJSA-N 0 0 315.339 3.353 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1noc2c1CCCCC2 ZINC000130914382 527589621 /nfs/dbraw/zinc/58/96/21/527589621.db2.gz GFDYEJSHKZSIAN-UHFFFAOYSA-N 0 0 302.296 3.134 10 30 DGEERN C=CCN(CC1CCCCC1)c1nnc(C)n1C[C@H]1CCCO1 ZINC000359432504 527598829 /nfs/dbraw/zinc/59/88/29/527598829.db2.gz WRIPPYXVHWSKNU-QGZVFWFLSA-N 0 0 318.465 3.338 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000426205318 527599327 /nfs/dbraw/zinc/59/93/27/527599327.db2.gz LEEWGGKDYFCMPS-LBPRGKRZSA-N 0 0 312.335 3.397 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338161373 527607896 /nfs/dbraw/zinc/60/78/96/527607896.db2.gz ZNVXQAPYKXYEGL-MOPGFXCFSA-N 0 0 301.430 3.141 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000191130919 527611296 /nfs/dbraw/zinc/61/12/96/527611296.db2.gz RPRUCVYIUTUJAL-VQIMIIECSA-N 0 0 317.429 3.127 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000352081851 527611972 /nfs/dbraw/zinc/61/19/72/527611972.db2.gz HNWVWCJVDQIKOF-NOZJJQNGSA-N 0 0 312.211 3.019 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000370712922 527616941 /nfs/dbraw/zinc/61/69/41/527616941.db2.gz ZQGHSCXSUDBVJB-QZTJIDSGSA-N 0 0 305.393 3.313 10 30 DGEERN C=CCN(CCC#N)C(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000359434504 527654545 /nfs/dbraw/zinc/65/45/45/527654545.db2.gz HMTGGBZPARJDDQ-MRXNPFEDSA-N 0 0 312.413 3.433 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cnc2n[nH]nc2c1 ZINC000329125731 527806644 /nfs/dbraw/zinc/80/66/44/527806644.db2.gz TVBZTCCZJGWMKD-RTXFEEFZSA-N 0 0 301.394 3.118 10 30 DGEERN CCC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000330286526 527849702 /nfs/dbraw/zinc/84/97/02/527849702.db2.gz ZYHREOUJNKARTB-FVQBIDKESA-N 0 0 321.465 3.002 10 30 DGEERN CC1(CCNc2cc(C#N)c3cc(Cl)ccc3n2)OCCO1 ZINC000302150463 527928050 /nfs/dbraw/zinc/92/80/50/527928050.db2.gz KCEIEYHAWKFKCY-UHFFFAOYSA-N 0 0 317.776 3.325 10 30 DGEERN CC(C)OCCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182370692 527929836 /nfs/dbraw/zinc/92/98/36/527929836.db2.gz BKGMKEZRYVJGNH-UHFFFAOYSA-N 0 0 300.402 3.177 10 30 DGEERN CC1(CNC(=O)NCCSCc2ccccc2C#N)CCC1 ZINC000176633547 527956221 /nfs/dbraw/zinc/95/62/21/527956221.db2.gz WKEGSNRVGPOSEG-UHFFFAOYSA-N 0 0 317.458 3.281 10 30 DGEERN CC(C)[C@]1(C)C[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333610934 527974371 /nfs/dbraw/zinc/97/43/71/527974371.db2.gz OCRGWOLRVIYDMC-DFEOGRTESA-N 0 0 311.429 3.370 10 30 DGEERN CCN(CC)C(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301285917 527988245 /nfs/dbraw/zinc/98/82/45/527988245.db2.gz ZCSPSROLEUSDFK-UHFFFAOYSA-N 0 0 319.836 3.296 10 30 DGEERN CCCCCCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000150713158 528120106 /nfs/dbraw/zinc/12/01/06/528120106.db2.gz ZZFQDCHUPTZHBK-AWEZNQCLSA-N 0 0 306.454 3.193 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NS(=O)(=O)CCCC#N)cc1 ZINC000127083757 528163058 /nfs/dbraw/zinc/16/30/58/528163058.db2.gz ZURKFJLNPARFTF-CQSZACIVSA-N 0 0 324.446 3.006 10 30 DGEERN CCCc1nc([C@H](Nc2ncccc2C#N)c2ccccc2)no1 ZINC000301650436 528756720 /nfs/dbraw/zinc/75/67/20/528756720.db2.gz GDWXBWHYXKCMIH-MRXNPFEDSA-N 0 0 319.368 3.490 10 30 DGEERN CC[C@@H](C#N)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000123880066 529267107 /nfs/dbraw/zinc/26/71/07/529267107.db2.gz ZDMNPMWWWKDPJA-LBPRGKRZSA-N 0 0 309.207 3.145 10 30 DGEERN CC(C)(CC#N)CNC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000459327126 534981072 /nfs/dbraw/zinc/98/10/72/534981072.db2.gz OQLGRXROFYLWKT-UHFFFAOYSA-N 0 0 306.313 3.223 10 30 DGEERN CC(C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451151762 535327454 /nfs/dbraw/zinc/32/74/54/535327454.db2.gz ZNVHIOQSKPRDHQ-MRXNPFEDSA-N 0 0 324.421 3.038 10 30 DGEERN COc1ccc(CNc2ccc3ccc(=O)n(C)c3c2)cc1C#N ZINC000487188303 536899120 /nfs/dbraw/zinc/89/91/20/536899120.db2.gz NVZDGWVLWOKYDB-UHFFFAOYSA-N 0 0 319.364 3.031 10 30 DGEERN CO[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000221018705 546265395 /nfs/dbraw/zinc/26/53/95/546265395.db2.gz WYGAFIJSZRZAKP-IINYFYTJSA-N 0 0 309.207 3.182 10 30 DGEERN C=CCOc1ccccc1CNc1cnc2c(c1)c(C)nn2C ZINC000237858003 546288625 /nfs/dbraw/zinc/28/86/25/546288625.db2.gz SMIQSQWGMMDNSO-UHFFFAOYSA-N 0 0 308.385 3.454 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C)C1=O ZINC000296160764 546427478 /nfs/dbraw/zinc/42/74/78/546427478.db2.gz HGNAKWYGIIBUCJ-MRXNPFEDSA-N 0 0 314.429 3.345 10 30 DGEERN Cn1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(C2CC2)n1 ZINC000329603857 546488361 /nfs/dbraw/zinc/48/83/61/546488361.db2.gz GMYCQRIAFQVHSH-UHFFFAOYSA-N 0 0 314.433 3.257 10 30 DGEERN Cc1nc([C@@H](C)NC(=O)N2CCCC3(CCOCC3)C2)cs1 ZINC000329804599 546492540 /nfs/dbraw/zinc/49/25/40/546492540.db2.gz MFQAMRNCDAFEBP-GFCCVEGCSA-N 0 0 323.462 3.319 10 30 DGEERN Cc1nnccc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000330155232 546495151 /nfs/dbraw/zinc/49/51/51/546495151.db2.gz NXWRIZGWFNKAJJ-VHSXEESVSA-N 0 0 302.300 3.232 10 30 DGEERN Cc1nc([C@H](C)NC(=O)N2CCOC[C@H](C3CCC3)C2)cs1 ZINC000330180241 546495779 /nfs/dbraw/zinc/49/57/79/546495779.db2.gz FVSGBJFQMQSQNE-SMDDNHRTSA-N 0 0 323.462 3.175 10 30 DGEERN Cc1nsc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1C#N ZINC000333808223 546511765 /nfs/dbraw/zinc/51/17/65/546511765.db2.gz FWSIBJHHSAQNFP-IZBNFRDHSA-N 0 0 316.430 3.223 10 30 DGEERN C=C(C)CCc1noc(Cc2c(C)nn(CC3CC3)c2C)n1 ZINC000351456959 546641293 /nfs/dbraw/zinc/64/12/93/546641293.db2.gz IUOSIQGNJYNDPB-UHFFFAOYSA-N 0 0 300.406 3.392 10 30 DGEERN C=CCn1c(S[C@@H](C)[C@@H](C)O)nnc1-c1cccc(C)c1 ZINC000445589819 546839577 /nfs/dbraw/zinc/83/95/77/546839577.db2.gz XTEOEODPCGVOGU-OLZOCXBDSA-N 0 0 303.431 3.301 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2cc(C)cc(C)c2)c1 ZINC000730403898 574528763 /nfs/dbraw/zinc/52/87/63/574528763.db2.gz ZYQAPCXQNUDXHZ-UHFFFAOYSA-N 0 0 324.376 3.438 10 30 DGEERN C#CCOc1cccc(COC(=O)COc2ccccc2CC)c1 ZINC000730405401 574528947 /nfs/dbraw/zinc/52/89/47/574528947.db2.gz VKSZLXKRNAWKCU-UHFFFAOYSA-N 0 0 324.376 3.383 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)[C@H](C)OCC2CC2)c1 ZINC000730698947 574534011 /nfs/dbraw/zinc/53/40/11/574534011.db2.gz BAOYZBKRQKUSIN-KBPBESRZSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1cccc(OC(=O)CCC(=O)c2cccs2)c1 ZINC000730501201 574530528 /nfs/dbraw/zinc/53/05/28/574530528.db2.gz FWFYCOZCKRCBJU-UHFFFAOYSA-N 0 0 314.362 3.329 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)CC[C@@H]2CCCO2)c1 ZINC000730702021 574534241 /nfs/dbraw/zinc/53/42/41/574534241.db2.gz XBJMOKYDFCLDRA-ZBFHGGJFSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000730516510 574530860 /nfs/dbraw/zinc/53/08/60/574530860.db2.gz LSOBSAXVGJKXPP-INIZCTEOSA-N 0 0 317.747 3.349 10 30 DGEERN Cc1ccc2c(c1)C(=NNc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000730947935 574539456 /nfs/dbraw/zinc/53/94/56/574539456.db2.gz PSHVAPRJIFROKY-UHFFFAOYSA-N 0 0 314.410 3.161 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000731112777 574543704 /nfs/dbraw/zinc/54/37/04/574543704.db2.gz OJIATSYLLUCEJI-GOSISDBHSA-N 0 0 320.392 3.378 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000731112780 574543846 /nfs/dbraw/zinc/54/38/46/574543846.db2.gz OJIATSYLLUCEJI-SFHVURJKSA-N 0 0 320.392 3.378 10 30 DGEERN C=C(C)CNC(=S)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000741506549 574562388 /nfs/dbraw/zinc/56/23/88/574562388.db2.gz HRBJOOOZRMHAIW-WFASDCNBSA-N 0 0 308.422 3.038 10 30 DGEERN C/C(=C/C(=O)Nc1cc(C)nn1CCC#N)c1cccc(F)c1 ZINC000731981928 574563961 /nfs/dbraw/zinc/56/39/61/574563961.db2.gz IISJZZVTHYMTCG-XFXZXTDPSA-N 0 0 312.348 3.286 10 30 DGEERN C#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000732031000 574565029 /nfs/dbraw/zinc/56/50/29/574565029.db2.gz WWXQBAPGTYKFDU-OAHLLOKOSA-N 0 0 310.784 3.346 10 30 DGEERN N#C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CCN1C1CC1 ZINC000732668446 574578563 /nfs/dbraw/zinc/57/85/63/574578563.db2.gz KVUJQJDJJBNOGX-GFCCVEGCSA-N 0 0 310.228 3.166 10 30 DGEERN C#CCCNC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000733246470 574609745 /nfs/dbraw/zinc/60/97/45/574609745.db2.gz IXKWPODAUJIMAR-LJQANCHMSA-N 0 0 317.392 3.134 10 30 DGEERN C#CCCNC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC000733247190 574610115 /nfs/dbraw/zinc/61/01/15/574610115.db2.gz BYOCQPSKDQPYFD-UHFFFAOYSA-N 0 0 309.365 3.306 10 30 DGEERN C#CCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000733247217 574610117 /nfs/dbraw/zinc/61/01/17/574610117.db2.gz DGZNGLPQHSSXMQ-UHFFFAOYSA-N 0 0 306.365 3.000 10 30 DGEERN C#CCCNC(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000733340936 574617366 /nfs/dbraw/zinc/61/73/66/574617366.db2.gz SQQWFNOSIRNBEV-HNNXBMFYSA-N 0 0 302.418 3.117 10 30 DGEERN C#CCCNC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000733355655 574617603 /nfs/dbraw/zinc/61/76/03/574617603.db2.gz BJUSRYABQURCLI-UHFFFAOYSA-N 0 0 304.821 3.474 10 30 DGEERN C#CCCNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000733356663 574617665 /nfs/dbraw/zinc/61/76/65/574617665.db2.gz MMODHTXUMIWUBS-HNNXBMFYSA-N 0 0 302.374 3.299 10 30 DGEERN C#CCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000733632201 574632645 /nfs/dbraw/zinc/63/26/45/574632645.db2.gz XMJXMSFVQHBIKN-UHFFFAOYSA-N 0 0 305.337 3.495 10 30 DGEERN C#CCCNC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000733644912 574633071 /nfs/dbraw/zinc/63/30/71/574633071.db2.gz CQJOOHKHMUXQQP-UHFFFAOYSA-N 0 0 300.402 3.221 10 30 DGEERN C#CC(C)(C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000733873336 574641409 /nfs/dbraw/zinc/64/14/09/574641409.db2.gz UFNKXXVLHLCQSZ-UHFFFAOYSA-N 0 0 312.417 3.277 10 30 DGEERN C=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)OCC ZINC000734026092 574647362 /nfs/dbraw/zinc/64/73/62/574647362.db2.gz FYHIQKDNSAFJID-UHFFFAOYSA-N 0 0 322.788 3.424 10 30 DGEERN C=C(COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000734029352 574647599 /nfs/dbraw/zinc/64/75/99/574647599.db2.gz LUKQAKPZAJRNOT-MNOVXSKESA-N 0 0 308.296 3.018 10 30 DGEERN C=C(COC(=O)CCOc1cc(C)cc(C)c1C)C(=O)OCC ZINC000734033614 574647853 /nfs/dbraw/zinc/64/78/53/574647853.db2.gz FBBFGAMVQUQJDJ-UHFFFAOYSA-N 0 0 320.385 3.043 10 30 DGEERN C=C(COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)OCC ZINC000734029597 574647925 /nfs/dbraw/zinc/64/79/25/574647925.db2.gz UFSJANMMFNQHHE-ZIAGYGMSSA-N 0 0 308.761 3.106 10 30 DGEERN C=C(COC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(=O)OCC ZINC000734022584 574648340 /nfs/dbraw/zinc/64/83/40/574648340.db2.gz FHIIYSHJPTVVNQ-UHFFFAOYSA-N 0 0 301.342 3.061 10 30 DGEERN C=C(COC(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC000734024855 574648384 /nfs/dbraw/zinc/64/83/84/574648384.db2.gz RTRSAUOQGNLMLW-UHFFFAOYSA-N 0 0 303.141 3.270 10 30 DGEERN C=C(COC(=O)c1cc(SC)ccc1Cl)C(=O)OCC ZINC000734025593 574648405 /nfs/dbraw/zinc/64/84/05/574648405.db2.gz WOIQPZBVUQYJRL-UHFFFAOYSA-N 0 0 314.790 3.338 10 30 DGEERN C=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)OCC ZINC000734025339 574648410 /nfs/dbraw/zinc/64/84/10/574648410.db2.gz LSTSAXVCMZETBM-UHFFFAOYSA-N 0 0 320.360 3.300 10 30 DGEERN C#CCOc1ccccc1CNC(=O)NC/C=C\c1ccccc1 ZINC000734170688 574653023 /nfs/dbraw/zinc/65/30/23/574653023.db2.gz MTVVMBMHACTMDU-FLIBITNWSA-N 0 0 320.392 3.211 10 30 DGEERN Cc1c2ccccc2oc1C/N=C\c1c(CO)cnc(C)c1O ZINC000734303497 574655530 /nfs/dbraw/zinc/65/55/30/574655530.db2.gz RHNFRHGGBGXLPP-UWVJOHFNSA-N 0 0 310.353 3.262 10 30 DGEERN C=CC[C@@H](NC(=O)NCCc1ccsc1)c1ccncc1 ZINC000734657174 574671689 /nfs/dbraw/zinc/67/16/89/574671689.db2.gz CQEDARRNYQJFTN-OAHLLOKOSA-N 0 0 301.415 3.302 10 30 DGEERN CCC[C@](C)(NCc1cc(Cl)ccc1OCC#N)C(=O)OC ZINC000735309186 574696313 /nfs/dbraw/zinc/69/63/13/574696313.db2.gz IQFJUKDNIRQYBC-INIZCTEOSA-N 0 0 324.808 3.064 10 30 DGEERN CCn1cc(CN(C)Cc2cc(Cl)ccc2OCC#N)cn1 ZINC000735311510 574696944 /nfs/dbraw/zinc/69/69/44/574696944.db2.gz RNPMWNFYPHDSKC-UHFFFAOYSA-N 0 0 318.808 3.091 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)CC2CCOCC2)cc1 ZINC000735397590 574700625 /nfs/dbraw/zinc/70/06/25/574700625.db2.gz INHQYJFMBRLYEF-CQSZACIVSA-N 0 0 302.370 3.120 10 30 DGEERN C=C(Cl)CNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000736247006 574738900 /nfs/dbraw/zinc/73/89/00/574738900.db2.gz UFUINBMBXUVKFU-UHFFFAOYSA-N 0 0 303.793 3.031 10 30 DGEERN C#CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000740025414 574919573 /nfs/dbraw/zinc/91/95/73/574919573.db2.gz FSJIBPFFLJLUGO-OAHLLOKOSA-N 0 0 322.861 3.457 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000741565237 574963203 /nfs/dbraw/zinc/96/32/03/574963203.db2.gz SGNDINRCSJIMKD-LIRRHRJNSA-N 0 0 305.377 3.362 10 30 DGEERN CCCCCCCCOCC(=O)N1CC(=O)Nc2ccccc21 ZINC000741523275 574961316 /nfs/dbraw/zinc/96/13/16/574961316.db2.gz LGAYVZXMNCLPQR-UHFFFAOYSA-N 0 0 318.417 3.349 10 30 DGEERN C=CCNC(=S)N1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000741875858 574974708 /nfs/dbraw/zinc/97/47/08/574974708.db2.gz WOYXLWFEBVOEPU-GDBMZVCRSA-N 0 0 304.459 3.126 10 30 DGEERN C#CCCCNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000742788343 575019490 /nfs/dbraw/zinc/01/94/90/575019490.db2.gz RLFSXJMHRVVFEQ-UHFFFAOYSA-N 0 0 320.439 3.166 10 30 DGEERN Cc1cccc2c1C/C(=C\c1ccc(-n3cncn3)cc1)C2=O ZINC000729150044 575220690 /nfs/dbraw/zinc/22/06/90/575220690.db2.gz IDXKCSQAARURRJ-OQLLNIDSSA-N 0 0 301.349 3.398 10 30 DGEERN N#Cc1ccc(CNC(=S)Nc2ccc(F)cc2F)c(F)c1 ZINC000729822029 575264116 /nfs/dbraw/zinc/26/41/16/575264116.db2.gz HFKARJQLNSWRBR-UHFFFAOYSA-N 0 0 321.327 3.462 10 30 DGEERN COc1ccc(NC(=S)NCc2ccc(C#N)cc2F)cc1 ZINC000729822400 575264201 /nfs/dbraw/zinc/26/42/01/575264201.db2.gz UNHOVOSZLAQOAI-UHFFFAOYSA-N 0 0 315.373 3.193 10 30 DGEERN C=CCOCC(=O)Oc1ccc2ccc(C(F)(F)F)nc2c1 ZINC000729896717 575266046 /nfs/dbraw/zinc/26/60/46/575266046.db2.gz ZDIXHRLYINQBEQ-UHFFFAOYSA-N 0 0 311.259 3.362 10 30 DGEERN C=CCCOCC(=O)OCCc1ccccc1C(F)(F)F ZINC000729908911 575266136 /nfs/dbraw/zinc/26/61/36/575266136.db2.gz DVISOFIGOLLUKM-UHFFFAOYSA-N 0 0 302.292 3.384 10 30 DGEERN C=CCc1cc(C(=O)NC[C@@H](C)C(C)C)cc(OC)c1OC ZINC000739629737 575269448 /nfs/dbraw/zinc/26/94/48/575269448.db2.gz HHOCALQLZQSXHU-CYBMUJFWSA-N 0 0 305.418 3.454 10 30 DGEERN O=[N+]([O-])c1ccc(Cl)c(C=Nn2cnc3ccccc32)c1 ZINC000725849826 575931753 /nfs/dbraw/zinc/93/17/53/575931753.db2.gz SUTYLBHCLSITQR-UHFFFAOYSA-N 0 0 300.705 3.480 10 30 DGEERN C=C(Br)CNC(=O)N[C@H]1CCc2c1cccc2F ZINC000726238173 576014340 /nfs/dbraw/zinc/01/43/40/576014340.db2.gz FAXBYAOUKQYIAX-LBPRGKRZSA-N 0 0 313.170 3.021 10 30 DGEERN C#Cc1cccc(NC(=O)c2ccc3c(c2O)OC(C)(C)C3)c1 ZINC000726884025 576047443 /nfs/dbraw/zinc/04/74/43/576047443.db2.gz RPGGNPSULYKKBZ-UHFFFAOYSA-N 0 0 307.349 3.339 10 30 DGEERN Cc1ccc(N=NC(C)[C@H](c2ccccc2)N2CCOCC2)nc1 ZINC000727259838 576116155 /nfs/dbraw/zinc/11/61/55/576116155.db2.gz LBFBAFOLUPYCGJ-LJQANCHMSA-N 0 0 324.428 3.251 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)[C@H](C)Oc2ccc(OC)cc2)c1 ZINC000728479402 576184466 /nfs/dbraw/zinc/18/44/66/576184466.db2.gz QKFCSUVWLBWUOO-HNNXBMFYSA-N 0 0 323.392 3.497 10 30 DGEERN C#Cc1cccc(N(C)CC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000728574317 576188860 /nfs/dbraw/zinc/18/88/60/576188860.db2.gz VPMNLKIGVACIKZ-FQEVSTJZSA-N 0 0 318.420 3.298 10 30 DGEERN C#Cc1ccc(C(=O)N(CC)c2nc3ccccc3s2)nc1 ZINC000728804067 576206587 /nfs/dbraw/zinc/20/65/87/576206587.db2.gz BAPMERFSQNJKEI-UHFFFAOYSA-N 0 0 307.378 3.339 10 30 DGEERN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCCC#N ZINC000728850554 576212462 /nfs/dbraw/zinc/21/24/62/576212462.db2.gz WWKVFFIURLKMJC-UHFFFAOYSA-N 0 0 301.321 3.213 10 30 DGEERN C#Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cn1 ZINC000728860312 576221024 /nfs/dbraw/zinc/22/10/24/576221024.db2.gz OYPCMPZNOVADSK-GOSISDBHSA-N 0 0 308.356 3.049 10 30 DGEERN C#Cc1cccc(NC(=O)N(CCC)C[C@H]2CCCCO2)c1 ZINC000154461907 620678729 /nfs/dbraw/zinc/67/87/29/620678729.db2.gz NIJHDTQWQOMZEB-QGZVFWFLSA-N 0 0 300.402 3.481 10 30 DGEERN COCCCOc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000154542128 620685732 /nfs/dbraw/zinc/68/57/32/620685732.db2.gz VOQLRCMEWWLASE-HNNXBMFYSA-N 0 0 305.374 3.197 10 30 DGEERN C#C[C@H](OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C1CC1 ZINC000152710353 618003616 /nfs/dbraw/zinc/00/36/16/618003616.db2.gz UVNFGCSXVIKCDJ-MFKMUULPSA-N 0 0 312.287 3.428 10 30 DGEERN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267160 618984391 /nfs/dbraw/zinc/98/43/91/618984391.db2.gz DGWXXHUYQIBJSH-WBMJQRKESA-N 0 0 307.397 3.352 10 30 DGEERN C#CCN(CC#C)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000121314175 619051647 /nfs/dbraw/zinc/05/16/47/619051647.db2.gz MMPIUILXYQQUQW-ROUUACIJSA-N 0 0 303.446 3.237 10 30 DGEERN C#CCOc1ccccc1CNCc1nc2c(cccc2C)[nH]1 ZINC000153613091 620585437 /nfs/dbraw/zinc/58/54/37/620585437.db2.gz QFKKDYFRTNEIGO-UHFFFAOYSA-N 0 0 305.381 3.173 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccn1 ZINC000113660902 620935164 /nfs/dbraw/zinc/93/51/64/620935164.db2.gz FJAWFWYIDWFMFG-SUMWQHHRSA-N 0 0 313.328 3.296 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2coc(Br)c2)c1 ZINC000103031359 621224240 /nfs/dbraw/zinc/22/42/40/621224240.db2.gz QMUZLLDFXAGHHY-UHFFFAOYSA-N 0 0 304.143 3.300 10 30 DGEERN C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)COC)c1 ZINC000103394419 621357330 /nfs/dbraw/zinc/35/73/30/621357330.db2.gz XNOWWHKRUMDYGZ-INIZCTEOSA-N 0 0 307.393 3.484 10 30 DGEERN C=CCCO[C@@H](C)C(=O)OCc1cc(-c2ccccc2)n[nH]1 ZINC000119513804 621679974 /nfs/dbraw/zinc/67/99/74/621679974.db2.gz ALHMMNONNZATCZ-ZDUSSCGKSA-N 0 0 300.358 3.101 10 30 DGEERN COC(=O)/C=C\c1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000205872707 622036433 /nfs/dbraw/zinc/03/64/33/622036433.db2.gz KLGYSPFPGRFKKC-NTMALXAHSA-N 0 0 323.348 3.332 10 30 DGEERN C#CC[C@H](OC(=O)CCCC[C@@H](C)C(C)=O)c1ccccn1 ZINC000123863689 622734074 /nfs/dbraw/zinc/73/40/74/622734074.db2.gz NHDZPSGFSWBBDH-PBHICJAKSA-N 0 0 301.386 3.475 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@H](C)OCCC(C)C)c1 ZINC000124517348 623135991 /nfs/dbraw/zinc/13/59/91/623135991.db2.gz VWYWOBBKLXONJO-HNNXBMFYSA-N 0 0 304.386 3.041 10 30 DGEERN C#CCOc1ccccc1OC(=O)CC1CCC(OC)CC1 ZINC000124774039 623229323 /nfs/dbraw/zinc/22/93/23/623229323.db2.gz PJZZHUVIOISSGO-UHFFFAOYSA-N 0 0 302.370 3.199 10 30 DGEERN CC(=O)c1c(C)cccc1NCC(=O)Nc1cccc(C#N)c1 ZINC000125100837 623315626 /nfs/dbraw/zinc/31/56/26/623315626.db2.gz ACTPGYBZSSVNLB-UHFFFAOYSA-N 0 0 307.353 3.120 10 30 DGEERN COCCCOc1cccc(C(=O)O[C@@H](C)C(C)(C)C#N)c1 ZINC000130404336 625847767 /nfs/dbraw/zinc/84/77/67/625847767.db2.gz DYIHRNZNHYQGMT-ZDUSSCGKSA-N 0 0 305.374 3.197 10 30 DGEERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C#N)C1CC1 ZINC000130518843 625865074 /nfs/dbraw/zinc/86/50/74/625865074.db2.gz RUQJATXYXBPCAC-BXKDBHETSA-N 0 0 317.439 3.195 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000130608006 625880205 /nfs/dbraw/zinc/88/02/05/625880205.db2.gz YAIFTOAQGNBWIB-QGZVFWFLSA-N 0 0 304.349 3.406 10 30 DGEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCSC)cc1 ZINC000131013032 625932232 /nfs/dbraw/zinc/93/22/32/625932232.db2.gz DKAXPSGSJGYJAJ-CQSZACIVSA-N 0 0 304.415 3.040 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1OC ZINC000131394821 626634473 /nfs/dbraw/zinc/63/44/73/626634473.db2.gz VIJRUXICWHXUMU-LBPRGKRZSA-N 0 0 303.358 3.355 10 30 DGEERN C=CCC[C@H](OC(=O)c1cc(S(C)(=O)=O)cs1)C1CC1 ZINC000133057509 626762760 /nfs/dbraw/zinc/76/27/60/626762760.db2.gz JIYZPXOJHDUVSW-LBPRGKRZSA-N 0 0 314.428 3.053 10 30 DGEERN N#Cc1ccc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)s1 ZINC000134495287 626879392 /nfs/dbraw/zinc/87/93/92/626879392.db2.gz AKXSFYUBDBUYNM-DUXPYHPUSA-N 0 0 304.334 3.035 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000137494831 627127211 /nfs/dbraw/zinc/12/72/11/627127211.db2.gz YTPOTZXSDCPBGL-ZDUSSCGKSA-N 0 0 323.348 3.113 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000106650932 631435213 /nfs/dbraw/zinc/43/52/13/631435213.db2.gz WOZQGGSXUXFRKH-MOPGFXCFSA-N 0 0 305.377 3.443 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)OCC#Cc2ccccc2)c1 ZINC000106986661 631496152 /nfs/dbraw/zinc/49/61/52/631496152.db2.gz NUGOOIDYODDLME-RBUKOAKNSA-N 0 0 306.361 3.394 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@H](OC)c2ccccc2)c1 ZINC000107022233 631503704 /nfs/dbraw/zinc/50/37/04/631503704.db2.gz UECXPUZYOIYTLD-GOSISDBHSA-N 0 0 310.349 3.130 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)CC[C@H]1CCCO1 ZINC000107059935 631517563 /nfs/dbraw/zinc/51/75/63/631517563.db2.gz WEEPBSFYWTZDJI-LSDHHAIUSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@@H](C)OCc1ccccc1 ZINC000107191523 631560646 /nfs/dbraw/zinc/56/06/46/631560646.db2.gz CPXHFGWAUDSEEB-OAHLLOKOSA-N 0 0 310.349 3.209 10 30 DGEERN C=C(Br)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109094278 632058414 /nfs/dbraw/zinc/05/84/14/632058414.db2.gz JDFJXKSEQLVAML-VHSXEESVSA-N 0 0 316.145 3.093 10 30 DGEERN CC(C)(CC#N)COC(=O)c1cccnc1OCC(F)(F)F ZINC000184824573 660189483 /nfs/dbraw/zinc/18/94/83/660189483.db2.gz FKJCFWODPAEIJQ-UHFFFAOYSA-N 0 0 316.279 3.119 10 30 DGEERN C#CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184882872 660192783 /nfs/dbraw/zinc/19/27/83/660192783.db2.gz IMVMBFNWFLMKIV-YPKPFQOOSA-N 0 0 312.369 3.403 10 30 DGEERN COc1ccc(C(=O)CCC(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000184916862 660195027 /nfs/dbraw/zinc/19/50/27/660195027.db2.gz OEMRNOLVORCSTK-HNNXBMFYSA-N 0 0 303.358 3.140 10 30 DGEERN C#CCC(C)(C)COC(=O)Cc1nc(-c2ccco2)oc1C ZINC000185361926 660218613 /nfs/dbraw/zinc/21/86/13/660218613.db2.gz NEBGWPJJKKJTON-UHFFFAOYSA-N 0 0 301.342 3.378 10 30 DGEERN C#CCC(C)(C)COC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000185374929 660218843 /nfs/dbraw/zinc/21/88/43/660218843.db2.gz PLDAVKKXWYINPN-UHFFFAOYSA-N 0 0 306.406 3.283 10 30 DGEERN C#CCC(C)(C)COC(=O)CCC(=O)c1ccc(OC)cc1 ZINC000185372709 660219530 /nfs/dbraw/zinc/21/95/30/660219530.db2.gz GEUQHZNUJXXGNA-UHFFFAOYSA-N 0 0 302.370 3.251 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(C)C ZINC000183023435 660099376 /nfs/dbraw/zinc/09/93/76/660099376.db2.gz QIXSJFCUANEODJ-OAHLLOKOSA-N 0 0 314.410 3.339 10 30 DGEERN Cc1cccc(CCCOC(=O)CCc2ccc(C#N)cc2)n1 ZINC000073076610 660238916 /nfs/dbraw/zinc/23/89/16/660238916.db2.gz MLQVZHHLZBGYOS-UHFFFAOYSA-N 0 0 308.381 3.370 10 30 DGEERN C#CC[C@H](OC(=O)COc1ccc(C)cc1C)c1ccccn1 ZINC000073294797 660261291 /nfs/dbraw/zinc/26/12/91/660261291.db2.gz NVEMHNIQZPRRLL-SFHVURJKSA-N 0 0 309.365 3.385 10 30 DGEERN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(C#N)cc2)C1 ZINC000008183144 660388524 /nfs/dbraw/zinc/38/85/24/660388524.db2.gz AZEFBASOXVVBEP-INIZCTEOSA-N 0 0 323.396 3.342 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)CCc2cccc(Br)c2)C1 ZINC000700567063 660628052 /nfs/dbraw/zinc/62/80/52/660628052.db2.gz FIKCHABEDWPMJH-CYBMUJFWSA-N 0 0 320.230 3.254 10 30 DGEERN Cc1ccc(/C=C\C(=O)N[C@@H](C#N)C(C)C)c(Br)c1 ZINC000701310818 660662721 /nfs/dbraw/zinc/66/27/21/660662721.db2.gz NHYHELHVWLUCQR-AFNCTOJWSA-N 0 0 321.218 3.435 10 30 DGEERN N#Cc1c(Br)cccc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000711526768 660956604 /nfs/dbraw/zinc/95/66/04/660956604.db2.gz UQKDRQXAYZJNSL-AOOOYVTPSA-N 0 0 309.232 3.120 10 30 DGEERN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(F)c(OC)c2)cc1 ZINC000254990854 655555494 /nfs/dbraw/zinc/55/54/94/655555494.db2.gz JEWUDMKREXFADK-YHYXMXQVSA-N 0 0 313.328 3.090 10 30 DGEERN C#CC[C@H](OC(=O)/C=C\c1ccnc(Cl)c1)c1ccccn1 ZINC000255005272 655557626 /nfs/dbraw/zinc/55/76/26/655557626.db2.gz AZEFXAWQPKUUPE-LZNQSLFOSA-N 0 0 312.756 3.451 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000188454308 655590645 /nfs/dbraw/zinc/59/06/45/655590645.db2.gz IJMYQJPNYLPKPK-HBUWYVDXSA-N 0 0 324.465 3.398 10 30 DGEERN C#CCN(C(=O)c1ccc(Br)s1)C(C)(C)C ZINC000723034671 655653948 /nfs/dbraw/zinc/65/39/48/655653948.db2.gz BHGYNFNCABKHAW-UHFFFAOYSA-N 0 0 300.221 3.385 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000255223152 655658882 /nfs/dbraw/zinc/65/88/82/655658882.db2.gz GIVOBEXTWILKNW-XITLMJRVSA-N 0 0 324.405 3.233 10 30 DGEERN CCOc1ccc(NCc2cnc3ccc(C#N)cn23)cc1F ZINC000157011123 655683959 /nfs/dbraw/zinc/68/39/59/655683959.db2.gz DUXOPFUWZOVBRQ-UHFFFAOYSA-N 0 0 310.332 3.356 10 30 DGEERN N#Cc1cc(-c2nc(-c3sccc3Br)no2)c[nH]1 ZINC000723211161 655693004 /nfs/dbraw/zinc/69/30/04/655693004.db2.gz NQKPMWNENOUWGA-UHFFFAOYSA-N 0 0 321.159 3.427 10 30 DGEERN N#CCc1ccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255302456 655694463 /nfs/dbraw/zinc/69/44/63/655694463.db2.gz NYVNPVIYNMVSBU-BENRWUELSA-N 0 0 317.341 3.271 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cccnc1Cl)C2=O ZINC000255305574 655695616 /nfs/dbraw/zinc/69/56/16/655695616.db2.gz XKACQICBHFGHGC-FLIBITNWSA-N 0 0 301.729 3.402 10 30 DGEERN C=CCc1ccccc1OC(=O)CCCNC(=O)C(C)(C)C ZINC000069837174 655703951 /nfs/dbraw/zinc/70/39/51/655703951.db2.gz VKECGTFCHQREJE-UHFFFAOYSA-N 0 0 303.402 3.263 10 30 DGEERN N#CCOc1ccc(CNC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000255353878 655704898 /nfs/dbraw/zinc/70/48/98/655704898.db2.gz ARSZZLPMWUAYBW-RQOWECAXSA-N 0 0 324.355 3.448 10 30 DGEERN CCOc1cc2c(cc1/C=C/C(=O)O[C@H](C#N)CC)O[C@@H](C)C2 ZINC000176014994 655705148 /nfs/dbraw/zinc/70/51/48/655705148.db2.gz KSVUGDRUCLJFKX-MFTITKQISA-N 0 0 315.369 3.267 10 30 DGEERN N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176128381 655736298 /nfs/dbraw/zinc/73/62/98/655736298.db2.gz XAQUQCHDPKXMNU-HZPDHXFCSA-N 0 0 322.364 3.075 10 30 DGEERN N#Cc1ccc2ncc(/C=C\C(=O)c3cc(F)cc(F)c3)n2c1 ZINC000255398226 655737730 /nfs/dbraw/zinc/73/77/30/655737730.db2.gz UQLGWXJJAYLHPH-IHWYPQMZSA-N 0 0 309.275 3.380 10 30 DGEERN CCOc1cc2c(cc1/C=C\C(=O)OC(C)(C)C#N)O[C@H](C)C2 ZINC000255414193 655740296 /nfs/dbraw/zinc/74/02/96/655740296.db2.gz LPBWMCGDRHYKHE-ZHRWSRJISA-N 0 0 315.369 3.267 10 30 DGEERN CON=Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000255423278 655746346 /nfs/dbraw/zinc/74/63/46/655746346.db2.gz DCUPHAQFXSWBML-UHFFFAOYSA-N 0 0 300.333 3.078 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccsc2)cc2c1OCCO2 ZINC000255426394 655747198 /nfs/dbraw/zinc/74/71/98/655747198.db2.gz ADDUCLPZSJNKTN-IHWYPQMZSA-N 0 0 302.351 3.424 10 30 DGEERN C=C(Cl)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000071891659 655754646 /nfs/dbraw/zinc/75/46/46/655754646.db2.gz OSPLTUOBGWENFJ-UHFFFAOYSA-N 0 0 303.208 3.349 10 30 DGEERN C=C1CCC(CNC(=O)c2nscc2Br)CC1 ZINC000724459698 655767264 /nfs/dbraw/zinc/76/72/64/655767264.db2.gz UPOJCQLVWRJHCH-UHFFFAOYSA-N 0 0 315.236 3.382 10 30 DGEERN CCc1cc(C)c(C(=O)Nc2ccc(F)cc2OCC#N)o1 ZINC000161234665 655772502 /nfs/dbraw/zinc/77/25/02/655772502.db2.gz GUXYWWCGCZWSDO-UHFFFAOYSA-N 0 0 302.305 3.444 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000187624738 655797046 /nfs/dbraw/zinc/79/70/46/655797046.db2.gz SEHGGHYQCGPNQW-CJNGLKHVSA-N 0 0 307.415 3.202 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1cc2cnccc2cc1OC ZINC000187626649 655821602 /nfs/dbraw/zinc/82/16/02/655821602.db2.gz VPMYFOMTOGYUOC-SFHVURJKSA-N 0 0 315.369 3.378 10 30 DGEERN N#Cc1cc(Br)cnc1N[C@H](CCO)C1CCCC1 ZINC000725035297 655847567 /nfs/dbraw/zinc/84/75/67/655847567.db2.gz YNVLHHSBSMURTG-CYBMUJFWSA-N 0 0 324.222 3.069 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(C2OCCO2)c1)C(C)(C)C ZINC000159667148 655849145 /nfs/dbraw/zinc/84/91/45/655849145.db2.gz DHVAYIZNDLIJAV-OAHLLOKOSA-N 0 0 302.370 3.327 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1nc(CCC)no1)C(C)(C)C ZINC000159676820 655849211 /nfs/dbraw/zinc/84/92/11/655849211.db2.gz RYSCJKIMKMDMKC-CYBMUJFWSA-N 0 0 306.406 3.326 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(C(=O)N(C)CC)c1)C(C)(C)C ZINC000159726132 655850919 /nfs/dbraw/zinc/85/09/19/655850919.db2.gz TWOFKTSJIYKOKF-INIZCTEOSA-N 0 0 315.413 3.373 10 30 DGEERN COc1ccc(O)c(/C=N\[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000255632619 655883125 /nfs/dbraw/zinc/88/31/25/655883125.db2.gz BLEDKKAUEYKXEL-QXGSTRBFSA-N 0 0 322.368 3.162 10 30 DGEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)C1CCOCC1 ZINC000179367111 655889612 /nfs/dbraw/zinc/88/96/12/655889612.db2.gz UBZWXLGXWWVUNJ-SNVBAGLBSA-N 0 0 323.776 3.188 10 30 DGEERN COc1cccc(/C=N\[C@@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000255734222 655892482 /nfs/dbraw/zinc/89/24/82/655892482.db2.gz LDLBHYKSISTAFM-FPXKJXHESA-N 0 0 324.380 3.015 10 30 DGEERN O=C(c1ccccc1)N1CCC(C/N=C\c2ccccc2O)CC1 ZINC000255850386 655915555 /nfs/dbraw/zinc/91/55/55/655915555.db2.gz ZIVIMJDMPABFNC-QNGOZBTKSA-N 0 0 322.408 3.364 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)NC(=O)CC1CCCCC1)C(C)C ZINC000177718446 655943420 /nfs/dbraw/zinc/94/34/20/655943420.db2.gz HKWMZFXUNZAAIL-ZBFHGGJFSA-N 0 0 307.434 3.053 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000180157807 655956540 /nfs/dbraw/zinc/95/65/40/655956540.db2.gz LUWNKFNRXSPTQC-YXJHDRRASA-N 0 0 315.413 3.494 10 30 DGEERN Cc1nn(C)cc1/C=C\C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000255889915 655956655 /nfs/dbraw/zinc/95/66/55/655956655.db2.gz CPNXVXNTVIWALY-KHPPLWFESA-N 0 0 320.396 3.427 10 30 DGEERN O=C(N[C@H]1COc2ccccc21)c1coc(C2CCOCC2)n1 ZINC000328823373 656080205 /nfs/dbraw/zinc/08/02/05/656080205.db2.gz RVLVRDHQQGAIML-ZDUSSCGKSA-N 0 0 314.341 3.007 10 30 DGEERN CC(C)(C)[C@H](C#N)OC(=O)c1cnc(-c2ccncc2)s1 ZINC000184914593 656122036 /nfs/dbraw/zinc/12/20/36/656122036.db2.gz DLPXMLOFOIEINS-LBPRGKRZSA-N 0 0 301.371 3.300 10 30 DGEERN C#CC[C@@H](COC)NC(=O)c1sc2ccccc2c1Cl ZINC000716822047 661229432 /nfs/dbraw/zinc/22/94/32/661229432.db2.gz QGUCAPRJZWFGGX-JTQLQIEISA-N 0 0 307.802 3.323 10 30 DGEERN CCCCS(=O)(=O)c1ccc(C(=O)O[C@H](CC)CC#N)cc1 ZINC000193018537 656184131 /nfs/dbraw/zinc/18/41/31/656184131.db2.gz GTCOBIRFGXLKBT-CQSZACIVSA-N 0 0 323.414 3.109 10 30 DGEERN N#C[C@H](OC(=O)c1ccc(OC(F)(F)Cl)cc1)C1CC1 ZINC000193838538 656195063 /nfs/dbraw/zinc/19/50/63/656195063.db2.gz FFUIKFFQLGFTCE-NSHDSACASA-N 0 0 301.676 3.313 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)c1ccc(C#N)cc1C ZINC000178616987 656966220 /nfs/dbraw/zinc/96/62/20/656966220.db2.gz QXIPTMWSRFWYSI-UHFFFAOYSA-N 0 0 305.337 3.389 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cnc3ccc(C)cn13)C2=O ZINC000178767816 657042298 /nfs/dbraw/zinc/04/22/98/657042298.db2.gz KIESBEHACZKVIF-JYRVWZFOSA-N 0 0 320.348 3.310 10 30 DGEERN C#C[C@@H](C)OC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000181172031 657368808 /nfs/dbraw/zinc/36/88/08/657368808.db2.gz LJCUIIBUDVRLET-SSDOTTSWSA-N 0 0 306.211 3.068 10 30 DGEERN C=C(Br)CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000049287234 657380824 /nfs/dbraw/zinc/38/08/24/657380824.db2.gz BQWXYBXBNCEHJL-UHFFFAOYSA-N 0 0 317.614 3.390 10 30 DGEERN C#CCCOc1ccc(CNc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000183750020 657381752 /nfs/dbraw/zinc/38/17/52/657381752.db2.gz AVIFUTFNVJXADL-UHFFFAOYSA-N 0 0 322.364 3.032 10 30 DGEERN C#CCN(C(=O)N[C@@H](C)Cc1ccccc1F)C1CCCC1 ZINC000164599472 657401608 /nfs/dbraw/zinc/40/16/08/657401608.db2.gz NXIXTOSLFTYYOT-AWEZNQCLSA-N 0 0 302.393 3.344 10 30 DGEERN CCOC1CC2(C[C@H]2Nc2ncc(Br)cc2C#N)C1 ZINC000721233941 657426137 /nfs/dbraw/zinc/42/61/37/657426137.db2.gz JFLLTZKIOGXOLA-MBHSVXNSSA-N 0 0 322.206 3.085 10 30 DGEERN C=CCn1c(C)nnc1SC[C@H](O)c1ccc(F)cc1C ZINC000304610224 657639009 /nfs/dbraw/zinc/63/90/09/657639009.db2.gz JMQXLTFAMFYBGC-AWEZNQCLSA-N 0 0 307.394 3.046 10 30 DGEERN C=CCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000304942495 657659842 /nfs/dbraw/zinc/65/98/42/657659842.db2.gz OCDBXUXJRHGABQ-OAHLLOKOSA-N 0 0 316.426 3.179 10 30 DGEERN C=C[C@H](CC(=O)OCCc1c(C)nn(C)c1C)c1ccccc1 ZINC000179187171 658376880 /nfs/dbraw/zinc/37/68/80/658376880.db2.gz DAWWQGXVBVBMEL-MRXNPFEDSA-N 0 0 312.413 3.483 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1C ZINC000163489041 658454220 /nfs/dbraw/zinc/45/42/20/658454220.db2.gz QFFHRCTXPAPKKZ-UHFFFAOYSA-N 0 0 306.340 3.281 10 30 DGEERN C#CCN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C1CCCC1 ZINC000163861529 658905199 /nfs/dbraw/zinc/90/51/99/658905199.db2.gz SZFKYXMSFRIBQE-KBPBESRZSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)NCCc1c(F)cccc1F)C1CCCC1 ZINC000163946098 658908994 /nfs/dbraw/zinc/90/89/94/658908994.db2.gz YVUNLHYPJVPXCG-UHFFFAOYSA-N 0 0 306.356 3.095 10 30 DGEERN C#CCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000163939545 658909248 /nfs/dbraw/zinc/90/92/48/658909248.db2.gz HZXJRSFWAHHINJ-UHFFFAOYSA-N 0 0 300.358 3.175 10 30 DGEERN C#CCN(C(=O)CCOCc1ccc(OC)cc1)C1CCCC1 ZINC000164002284 658912247 /nfs/dbraw/zinc/91/22/47/658912247.db2.gz WPQRZSMAKDOSCQ-UHFFFAOYSA-N 0 0 315.413 3.006 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000156376540 658916196 /nfs/dbraw/zinc/91/61/96/658916196.db2.gz HGMHXNMRKJRLQJ-CYBMUJFWSA-N 0 0 315.291 3.262 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OCc1cncs1 ZINC000156437941 658920176 /nfs/dbraw/zinc/92/01/76/658920176.db2.gz ALZJYZPBSXAPSP-UHFFFAOYSA-N 0 0 305.355 3.074 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H](C)C1CCOCC1 ZINC000165051355 658964711 /nfs/dbraw/zinc/96/47/11/658964711.db2.gz UIMXSCFSDGKQRU-ZDUSSCGKSA-N 0 0 304.386 3.392 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(C#N)cc2F)c1 ZINC000157922917 659121814 /nfs/dbraw/zinc/12/18/14/659121814.db2.gz IYHWNZAMCPBXBL-GJZGRUSLSA-N 0 0 311.312 3.415 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)Oc2ccc(C#N)cc2F)c1 ZINC000157923361 659121953 /nfs/dbraw/zinc/12/19/53/659121953.db2.gz IYHWNZAMCPBXBL-HUUCEWRRSA-N 0 0 311.312 3.415 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Oc2ccc(C#N)cc2F)s1 ZINC000158086336 659142188 /nfs/dbraw/zinc/14/21/88/659142188.db2.gz WFWWSBJFKWODNM-SECBINFHSA-N 0 0 320.345 3.389 10 30 DGEERN CCOc1ccc(O)c(/C=N/[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000158158304 659147022 /nfs/dbraw/zinc/14/70/22/659147022.db2.gz HMWONXIGNZVRMT-MKFNJMOCSA-N 0 0 315.417 3.191 10 30 DGEERN CC(C)(C)c1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc(Cl)n1 ZINC000228115247 659174960 /nfs/dbraw/zinc/17/49/60/659174960.db2.gz ZVGGGLKISSRVOY-PWSUYJOCSA-N 0 0 305.809 3.455 10 30 DGEERN Cc1c(C(=O)/C=C/c2cccnc2C)nnn1-c1ccc(F)cc1 ZINC000171419519 659281362 /nfs/dbraw/zinc/28/13/62/659281362.db2.gz AMKHAQPZVFSKMU-BJMVGYQFSA-N 0 0 322.343 3.314 10 30 DGEERN CSCCC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000171481414 659283040 /nfs/dbraw/zinc/28/30/40/659283040.db2.gz PMTIUQWRBFRVMA-CQSZACIVSA-N 0 0 312.394 3.240 10 30 DGEERN C=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)OCC ZINC000172293462 659327550 /nfs/dbraw/zinc/32/75/50/659327550.db2.gz AVEPWMDALLTPOD-UHFFFAOYSA-N 0 0 323.805 3.337 10 30 DGEERN O=C1c2ccc(O)cc2OC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000172678384 659348545 /nfs/dbraw/zinc/34/85/45/659348545.db2.gz CJGJCMKFFSOJNA-LZYBPNLTSA-N 0 0 304.305 3.399 10 30 DGEERN Cn1c(C(=O)Nc2ccc(C#N)cn2)ccc1-c1ccccc1 ZINC000172971485 659368714 /nfs/dbraw/zinc/36/87/14/659368714.db2.gz HTCLJDMMYNCERF-UHFFFAOYSA-N 0 0 302.337 3.211 10 30 DGEERN COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1C#N ZINC000173038620 659371299 /nfs/dbraw/zinc/37/12/99/659371299.db2.gz NPMWQAJLHVNMJE-MHWRWJLKSA-N 0 0 318.332 3.220 10 30 DGEERN N#Cc1cnc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cn1 ZINC000231641906 659395807 /nfs/dbraw/zinc/39/58/07/659395807.db2.gz WFIMKWPEBTXIRC-UHFFFAOYSA-N 0 0 311.084 3.356 10 30 DGEERN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cccc2cc[nH]c21 ZINC000173967855 659406610 /nfs/dbraw/zinc/40/66/10/659406610.db2.gz FQJMPTKUAUECSZ-OAHLLOKOSA-N 0 0 303.321 3.129 10 30 DGEERN C#C[C@@H](C)OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000174423100 659432928 /nfs/dbraw/zinc/43/29/28/659432928.db2.gz ZCHVALXNIYCMMO-SNVBAGLBSA-N 0 0 305.280 3.117 10 30 DGEERN C#C[C@H](C)OC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000174443860 659433942 /nfs/dbraw/zinc/43/39/42/659433942.db2.gz XEJZEBAJEZQFNH-VHSXEESVSA-N 0 0 313.216 3.495 10 30 DGEERN C#CCCOc1ccc(CNCc2nccn2CC(C)C)cc1 ZINC000174454809 659434295 /nfs/dbraw/zinc/43/42/95/659434295.db2.gz RDBABABLYCTPQO-UHFFFAOYSA-N 0 0 311.429 3.231 10 30 DGEERN C#C[C@H](C)OC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000174456128 659434613 /nfs/dbraw/zinc/43/46/13/659434613.db2.gz ZDMJOQBJGBIANW-HNNXBMFYSA-N 0 0 310.349 3.209 10 30 DGEERN C#C[C@H](C)OC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000174466094 659435451 /nfs/dbraw/zinc/43/54/51/659435451.db2.gz ULPLGMUYYQPAKE-QMMMGPOBSA-N 0 0 320.698 3.121 10 30 DGEERN C=C(C)CCOC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000174796967 659677342 /nfs/dbraw/zinc/67/73/42/659677342.db2.gz RQLTXKPJVZOOGB-UHFFFAOYSA-N 0 0 307.415 3.176 10 30 DGEERN O=C(C#Cc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000175120803 659916051 /nfs/dbraw/zinc/91/60/51/659916051.db2.gz DDYGTFXERNBHJO-QGZVFWFLSA-N 0 0 319.360 3.131 10 30 DGEERN CCc1nc(CC(=O)OC[C@@H](C#N)Cc2ccccc2)cs1 ZINC000175379967 659919471 /nfs/dbraw/zinc/91/94/71/659919471.db2.gz CKZCQKRBYFBGPU-CQSZACIVSA-N 0 0 314.410 3.174 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000175375217 659919933 /nfs/dbraw/zinc/91/99/33/659919933.db2.gz SYDLUUJRDZIUED-OAHLLOKOSA-N 0 0 324.336 3.443 10 30 DGEERN N#C[C@@H](COC(=O)CCC1CCOCC1)Cc1ccccc1 ZINC000175374587 659920102 /nfs/dbraw/zinc/92/01/02/659920102.db2.gz AOFWUCCHAUPBAS-KRWDZBQOSA-N 0 0 301.386 3.119 10 30 DGEERN C#Cc1cccc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1 ZINC000175453602 659920996 /nfs/dbraw/zinc/92/09/96/659920996.db2.gz SIKMVZQJVRDBKD-UHFFFAOYSA-N 0 0 323.302 3.384 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](C)C#N ZINC000068308713 659948203 /nfs/dbraw/zinc/94/82/03/659948203.db2.gz JRRDVFMKJVRZIL-MMQHEFTJSA-N 0 0 309.369 3.065 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](C#N)CC ZINC000068325901 659949353 /nfs/dbraw/zinc/94/93/53/659949353.db2.gz ULXPWYOBMLTEKF-SCOAYWHSSA-N 0 0 323.396 3.455 10 30 DGEERN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180057711 659950654 /nfs/dbraw/zinc/95/06/54/659950654.db2.gz FTHZMHXVXGXUCE-XHSDSOJGSA-N 0 0 311.381 3.212 10 30 DGEERN N#C[C@H](COC(=O)Cc1cccs1)Cc1ccc(F)cc1 ZINC000068492133 659954907 /nfs/dbraw/zinc/95/49/07/659954907.db2.gz KSVZKFFOWSQYRD-CYBMUJFWSA-N 0 0 303.358 3.355 10 30 DGEERN C#CC[C@@H](OC(=O)c1coc(Br)c1)c1ccccn1 ZINC000068594551 659958718 /nfs/dbraw/zinc/95/87/18/659958718.db2.gz VXFGSHVGCNLYTQ-GFCCVEGCSA-N 0 0 320.142 3.359 10 30 DGEERN C=C(C)CN(C)C(=O)/C=C/c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000180378405 659960662 /nfs/dbraw/zinc/96/06/62/659960662.db2.gz ZKHRQAQSEQISAI-HSBSLETESA-N 0 0 315.413 3.456 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1c(C)nc(SC)nc1C ZINC000180358907 659960912 /nfs/dbraw/zinc/96/09/12/659960912.db2.gz HUKGSVZBUODMDO-UHFFFAOYSA-N 0 0 320.458 3.341 10 30 DGEERN C=C(Br)CNC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000068952887 659970104 /nfs/dbraw/zinc/97/01/04/659970104.db2.gz NKXLHHHXBIKWTC-UHFFFAOYSA-N 0 0 324.218 3.237 10 30 DGEERN C=C[C@H](CC)OC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000181228528 659987685 /nfs/dbraw/zinc/98/76/85/659987685.db2.gz USNQFYIDSJRLDY-CQSZACIVSA-N 0 0 317.414 3.176 10 30 DGEERN C=C[C@@H](CC)OC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000181230940 659987794 /nfs/dbraw/zinc/98/77/94/659987794.db2.gz ZZXHYGVMDQTUTO-WFASDCNBSA-N 0 0 311.328 3.040 10 30 DGEERN C#CCN(C(=O)c1ccnc(O[C@H](C)CC)c1)C1CCCC1 ZINC000181779896 660019463 /nfs/dbraw/zinc/01/94/63/660019463.db2.gz FOLNVOKBBROODX-CQSZACIVSA-N 0 0 300.402 3.277 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000181997088 660029745 /nfs/dbraw/zinc/02/97/45/660029745.db2.gz RWAJSKVRDIMNGF-CQSZACIVSA-N 0 0 318.348 3.048 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182024118 660031109 /nfs/dbraw/zinc/03/11/09/660031109.db2.gz TZOJIFJFERKIBU-GUYCJALGSA-N 0 0 310.438 3.247 10 30 DGEERN N#CC1(c2ccc(C(=O)Oc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000182253121 660039725 /nfs/dbraw/zinc/03/97/25/660039725.db2.gz UQKKIYWHJZTFDL-UHFFFAOYSA-N 0 0 308.293 3.369 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000076084544 660096219 /nfs/dbraw/zinc/09/62/19/660096219.db2.gz KPNZFDQMOGXKFT-UHFFFAOYSA-N 0 0 314.776 3.465 10 30 DGEERN N#CC1(COC(=O)COCCOc2ccccc2)CCCCC1 ZINC000183694029 660131459 /nfs/dbraw/zinc/13/14/59/660131459.db2.gz XCQLQBISYUILDP-UHFFFAOYSA-N 0 0 317.385 3.099 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1cc(C(=O)OC)co1 ZINC000183819297 660140814 /nfs/dbraw/zinc/14/08/14/660140814.db2.gz ILYIHGGHBIDZAU-UHFFFAOYSA-N 0 0 316.309 3.023 10 30 DGEERN N#CC1(COC(=O)CCC(=O)c2ccc(F)c(F)c2)CCC1 ZINC000183841259 660142641 /nfs/dbraw/zinc/14/26/41/660142641.db2.gz KWVNWTPNRVDBON-UHFFFAOYSA-N 0 0 307.296 3.165 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)OCC2(C#N)CCCC2)s1 ZINC000183872787 660144926 /nfs/dbraw/zinc/14/49/26/660144926.db2.gz FFMHVNZOTXILFR-LLVKDONJSA-N 0 0 308.403 3.400 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)OCC2(C#N)CCCC2)s1 ZINC000183872803 660144955 /nfs/dbraw/zinc/14/49/55/660144955.db2.gz FFMHVNZOTXILFR-NSHDSACASA-N 0 0 308.403 3.400 10 30 DGEERN Cc1nn(C(F)F)c(C)c1CC(=O)OCC1(C#N)CCCC1 ZINC000183898937 660146158 /nfs/dbraw/zinc/14/61/58/660146158.db2.gz CIONKEWSAKOOAT-UHFFFAOYSA-N 0 0 311.332 3.065 10 30 DGEERN Cc1ccc(CCC(=O)OCC2(C#N)CCOCC2)c(C)c1 ZINC000183911469 660147586 /nfs/dbraw/zinc/14/75/86/660147586.db2.gz GFMIHPZKSLUYPP-UHFFFAOYSA-N 0 0 301.386 3.100 10 30 DGEERN CC(C)c1ccc(OCC(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183939901 660148603 /nfs/dbraw/zinc/14/86/03/660148603.db2.gz WVHLETLGAQSZQO-UHFFFAOYSA-N 0 0 317.385 3.052 10 30 DGEERN COc1ccccc1[C@@H](C)CC(=O)OCC1(C#N)CCOCC1 ZINC000183970812 660150854 /nfs/dbraw/zinc/15/08/54/660150854.db2.gz BTTLKMOHFMUBPI-AWEZNQCLSA-N 0 0 317.385 3.052 10 30 DGEERN C=C[C@H](C)OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000187509291 661732466 /nfs/dbraw/zinc/73/24/66/661732466.db2.gz HABPFVRVSMMHPW-QMMMGPOBSA-N 0 0 307.243 3.092 10 30 DGEERN CC[C@H]1CCCCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000155547467 661849075 /nfs/dbraw/zinc/84/90/75/661849075.db2.gz SSLPQFHEZARJLF-INIZCTEOSA-N 0 0 300.402 3.313 10 30 DGEERN CC(C)Cc1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)NC(C)C)cc1 ZINC000156099870 661858197 /nfs/dbraw/zinc/85/81/97/661858197.db2.gz NCWDCPDIHLUXHO-RHSMWYFYSA-N 0 0 314.429 3.222 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)/C=C/c1ccncn1 ZINC000158786285 661877879 /nfs/dbraw/zinc/87/78/79/661877879.db2.gz POZJZMRLXPVNPT-RMKNXTFCSA-N 0 0 310.353 3.223 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000159145206 661883533 /nfs/dbraw/zinc/88/35/33/661883533.db2.gz NAWVOGCUVXONGO-UHFFFAOYSA-N 0 0 306.321 3.401 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cncc(OC(C)C)c1 ZINC000187555199 661886830 /nfs/dbraw/zinc/88/68/30/661886830.db2.gz VOKYHWGPUXIBHH-QGZVFWFLSA-N 0 0 307.390 3.254 10 30 DGEERN C=CCC[C@@H](OC(=O)C[C@@H](C)NC(=O)C1CCCC1)C1CC1 ZINC000159590602 661891037 /nfs/dbraw/zinc/89/10/37/661891037.db2.gz STEAEYVUHZVEHI-CZUORRHYSA-N 0 0 307.434 3.359 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@H]1CCC[C@H]1SCC ZINC000188055959 661912885 /nfs/dbraw/zinc/91/28/85/661912885.db2.gz PNAQJBGOQBZKPK-GOEBONIOSA-N 0 0 318.442 3.494 10 30 DGEERN C#CCN(CC#C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000075391825 661928227 /nfs/dbraw/zinc/92/82/27/661928227.db2.gz UPQHEQVJBFFXLO-UHFFFAOYSA-N 0 0 301.389 3.304 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000075399752 661928717 /nfs/dbraw/zinc/92/87/17/661928717.db2.gz WVUUJIUEYFGFPK-CYBMUJFWSA-N 0 0 307.315 3.294 10 30 DGEERN CCN(C[C@H](C)C#N)Cn1nc(C(F)(F)F)sc1=S ZINC000188653910 661938579 /nfs/dbraw/zinc/93/85/79/661938579.db2.gz GBDLKZATFXRNIR-SSDOTTSWSA-N 0 0 310.370 3.132 10 30 DGEERN C=CC[C@H](OC(=O)Cn1c(C)c(C)sc1=O)c1ccccc1 ZINC000189227843 661969717 /nfs/dbraw/zinc/96/97/17/661969717.db2.gz KNEAXTGXUYKJIE-HNNXBMFYSA-N 0 0 317.410 3.387 10 30 DGEERN C=CC[C@H](OC(=O)CNC(=O)CCC(C)C)c1ccccc1 ZINC000189233092 661969748 /nfs/dbraw/zinc/96/97/48/661969748.db2.gz MRSDPLKMTKEWFF-INIZCTEOSA-N 0 0 303.402 3.399 10 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317.341 3.271 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000192279718 662094293 /nfs/dbraw/zinc/09/42/93/662094293.db2.gz UFSLJDZVDNARRE-ZDUSSCGKSA-N 0 0 321.327 3.034 10 30 DGEERN C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000079178429 662102418 /nfs/dbraw/zinc/10/24/18/662102418.db2.gz IJJUCTSAXYLEFK-GDBMZVCRSA-N 0 0 317.385 3.076 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C1CC1 ZINC000079208232 662103876 /nfs/dbraw/zinc/10/38/76/662103876.db2.gz JPTISHDBZLEDSC-ROUUACIJSA-N 0 0 314.381 3.203 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C1CC1 ZINC000079208238 662103917 /nfs/dbraw/zinc/10/39/17/662103917.db2.gz JPTISHDBZLEDSC-QZTJIDSGSA-N 0 0 314.381 3.203 10 30 DGEERN COc1ccccc1[C@@H](O)CN=Cc1cc2ccccc2[nH]c1=O ZINC000193309745 662130151 /nfs/dbraw/zinc/13/01/51/662130151.db2.gz RPIDLLYXXLDNOQ-PBGVMVHZSA-N 0 0 322.364 3.102 10 30 DGEERN N#C[C@@H](OC(=O)CCc1ccccc1OC(F)(F)F)C1CC1 ZINC000080395294 662139517 /nfs/dbraw/zinc/13/95/17/662139517.db2.gz WOMQBPUNVUGVBS-CYBMUJFWSA-N 0 0 313.275 3.363 10 30 DGEERN N#C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000080412759 662141024 /nfs/dbraw/zinc/14/10/24/662141024.db2.gz PKECGLPFKJINRB-SFHVURJKSA-N 0 0 311.381 3.374 10 30 DGEERN CCC1CC(=O)C(=CNc2ccnn2[C@H](C)C2CC2)C(=O)C1 ZINC000194963393 662176265 /nfs/dbraw/zinc/17/62/65/662176265.db2.gz QQDVTAPJJLVQSE-JHJMLUEUSA-N 0 0 301.390 3.108 10 30 DGEERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCC(C)(C)CCC#N ZINC000195071409 662177813 /nfs/dbraw/zinc/17/78/13/662177813.db2.gz CSRSYLHDYZDJOA-AWEZNQCLSA-N 0 0 322.449 3.287 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCCc1ccc(C(F)(F)F)cc1 ZINC000083770000 662196403 /nfs/dbraw/zinc/19/64/03/662196403.db2.gz VTTHYQDGXYMYQW-UHFFFAOYSA-N 0 0 322.286 3.315 10 30 DGEERN N#C[C@H](COC(=O)C[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000088807903 662235141 /nfs/dbraw/zinc/23/51/41/662235141.db2.gz JDIBKELSGSEWGE-GDBMZVCRSA-N 0 0 305.349 3.010 10 30 DGEERN C[C@@H](OC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)C(C)(C)C#N ZINC000245537842 662235153 /nfs/dbraw/zinc/23/51/53/662235153.db2.gz IWMSWRHAICSKSX-JMSVASOKSA-N 0 0 314.385 3.376 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000089321105 662241986 /nfs/dbraw/zinc/24/19/86/662241986.db2.gz LBIQQRMPXBDDLX-RHSMWYFYSA-N 0 0 303.402 3.460 10 30 DGEERN N#CC(C(=O)[C@H]1C[C@H]1C1CC1)c1nc(-c2ccncc2)cs1 ZINC000246105117 662247391 /nfs/dbraw/zinc/24/73/91/662247391.db2.gz JBOKQAUZDNILJQ-MELADBBJSA-N 0 0 309.394 3.427 10 30 DGEERN CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246677047 662270700 /nfs/dbraw/zinc/27/07/00/662270700.db2.gz ZDTYDIAKRHHIFK-ARFHVFGLSA-N 0 0 304.434 3.218 10 30 DGEERN C#CC[N@@H+](Cc1cc(OC)ccc1OCOC)C1CCCC1 ZINC000093819808 662360231 /nfs/dbraw/zinc/36/02/31/662360231.db2.gz IIFSXNJYTFGSTC-UHFFFAOYSA-N 0 0 303.402 3.056 10 30 DGEERN N#CC1(NC(=O)c2ccn(-c3ccccc3Cl)n2)CCCC1 ZINC000065308889 685053817 /nfs/dbraw/zinc/05/38/17/685053817.db2.gz FIBRJSACTDWEOX-UHFFFAOYSA-N 0 0 314.776 3.092 10 30 DGEERN C[C@@H](NC=C1C(=O)CC(C)(C)CC1=O)c1ccc(F)cc1F ZINC000121037033 685066489 /nfs/dbraw/zinc/06/64/89/685066489.db2.gz CIECMCXJJBZTKC-SNVBAGLBSA-N 0 0 307.340 3.458 10 30 DGEERN C=CCCOC(=O)c1cc(Br)cc(Cl)c1N ZINC000381436595 685157884 /nfs/dbraw/zinc/15/78/84/685157884.db2.gz XZRWJMPZKWOTGM-UHFFFAOYSA-N 0 0 304.571 3.418 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@H]1CCC[C@@H](O)C1 ZINC000227695144 1176516120 /nfs/dbraw/zinc/51/61/20/1176516120.db2.gz MXVICTVRHYPVAC-GXFFZTMASA-N 0 0 309.207 3.284 10 30 DGEERN N#Cc1cc(Oc2ccc(Br)cc2[N+](=O)[O-])ccn1 ZINC000088086438 1177230144 /nfs/dbraw/zinc/23/01/44/1177230144.db2.gz WJHIYAKSHSHPBJ-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000338169263 1177725508 /nfs/dbraw/zinc/72/55/08/1177725508.db2.gz FEDQWHCYPHJBDL-HOCLYGCPSA-N 0 0 321.392 3.177 10 30 DGEERN CCCCCC(C)(C)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000094989252 1198820060 /nfs/dbraw/zinc/82/00/60/1198820060.db2.gz OEXKECOSKYRRQE-UHFFFAOYSA-N 0 0 308.447 3.443 10 30 DGEERN CN(Cc1ccns1)c1cc(Br)ccc1C#N ZINC000404497250 1199563432 /nfs/dbraw/zinc/56/34/32/1199563432.db2.gz SPLQKFLALWLHGJ-UHFFFAOYSA-N 0 0 308.204 3.414 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1nscc1Br ZINC000404844546 1199587038 /nfs/dbraw/zinc/58/70/38/1199587038.db2.gz OJJQDQAJFRXPJH-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN C=CCOc1ccc(CNc2ccc(CCO)cc2)cc1OC ZINC000304926316 1199670328 /nfs/dbraw/zinc/67/03/28/1199670328.db2.gz ZWADNIWRRWCYCO-UHFFFAOYSA-N 0 0 313.397 3.407 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2nc(C)ccc2O)cc1 ZINC000114767145 1199716067 /nfs/dbraw/zinc/71/60/67/1199716067.db2.gz NMAUEEZHDYYANJ-UHFFFAOYSA-N 0 0 312.373 3.015 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000120405869 1200145183 /nfs/dbraw/zinc/14/51/83/1200145183.db2.gz TXSVQBHCOXVMNP-CQSZACIVSA-N 0 0 308.426 3.463 10 30 DGEERN COC(=O)[C@@H](C)CSc1cc(Br)ccc1C#N ZINC000123973354 1200306018 /nfs/dbraw/zinc/30/60/18/1200306018.db2.gz QQBBMVQDDNAQQR-QMMMGPOBSA-N 0 0 314.204 3.222 10 30 DGEERN N#Cc1ccc(Br)cc1N1CCCC[C@H]1CCO ZINC000125106808 1200360739 /nfs/dbraw/zinc/36/07/39/1200360739.db2.gz ZMWLBTGCMBCZJG-ZDUSSCGKSA-N 0 0 309.207 3.062 10 30 DGEERN CC(C)CCCCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000147520877 1202587874 /nfs/dbraw/zinc/58/78/74/1202587874.db2.gz IFYYIMHBOJHKIN-UHFFFAOYSA-N 0 0 314.838 3.316 10 30 DGEERN C#CCCCCNC(=O)NCc1ccc(C)cc1OC(C)C ZINC000152184318 1202594032 /nfs/dbraw/zinc/59/40/32/1202594032.db2.gz MFFKJZHCCNXFAW-UHFFFAOYSA-N 0 0 302.418 3.385 10 30 DGEERN Cc1cc(CNc2ccc(C#N)c(Br)c2F)no1 ZINC000231845530 1202600329 /nfs/dbraw/zinc/60/03/29/1202600329.db2.gz JSEXGVHYHQKXOE-UHFFFAOYSA-N 0 0 310.126 3.368 10 30 DGEERN C[C@H](O)C(C)(C)Nc1ccc(C#N)c(Br)c1F ZINC000231864005 1202600477 /nfs/dbraw/zinc/60/04/77/1202600477.db2.gz GRFKIBFIBUFDAR-ZETCQYMHSA-N 0 0 301.159 3.031 10 30 DGEERN CCn1nccc1CNc1cc(Br)ccc1C#N ZINC000234212192 1202603349 /nfs/dbraw/zinc/60/33/49/1202603349.db2.gz IKCJSGHLEXUTAS-UHFFFAOYSA-N 0 0 305.179 3.149 10 30 DGEERN C[C@H]1OCC[C@@]1(C)Nc1ccc(C#N)c(Br)c1F ZINC000235635210 1202604782 /nfs/dbraw/zinc/60/47/82/1202604782.db2.gz WMVBMUMWTGDUNK-AMIZOPFISA-N 0 0 313.170 3.439 10 30 DGEERN Cc1ncn(CCCCC(C)(C)C#N)c(=O)c1Br ZINC000235846158 1202604835 /nfs/dbraw/zinc/60/48/35/1202604835.db2.gz DFHDVSQHHGTRLL-UHFFFAOYSA-N 0 0 312.211 3.034 10 30 DGEERN CCN(c1ccc(C#N)c(Br)c1)[C@H]1CCCOC1 ZINC000402772396 1203287645 /nfs/dbraw/zinc/28/76/45/1203287645.db2.gz JUXCYPACMUPXAL-ZDUSSCGKSA-N 0 0 309.207 3.326 10 30 DGEERN C#CCN(CC1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000164861171 1203708921 /nfs/dbraw/zinc/70/89/21/1203708921.db2.gz HXFLTTBEKXXWEB-UHFFFAOYSA-N 0 0 309.163 3.207 10 30 DGEERN C=C(Br)CNC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000176213488 1203926551 /nfs/dbraw/zinc/92/65/51/1203926551.db2.gz VQPIIRJBVVJYSO-CSKARUKUSA-N 0 0 310.191 3.123 10 30 DGEERN N#C[C@H]1CC[C@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000179935188 1204325181 /nfs/dbraw/zinc/32/51/81/1204325181.db2.gz ZKYPKZBQUDQXQT-NHYWBVRUSA-N 0 0 323.352 3.463 10 30 DGEERN C[S@@](=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000181133351 1204335929 /nfs/dbraw/zinc/33/59/29/1204335929.db2.gz WITVPHFENVTBHQ-HSZRJFAPSA-N 0 0 324.405 3.231 10 30 DGEERN C#C[C@@H](NC(=O)c1cc(C)c(Br)s1)C(C)C ZINC000300740869 1204345881 /nfs/dbraw/zinc/34/58/81/1204345881.db2.gz AVTIJRLEJZCSCB-SECBINFHSA-N 0 0 300.221 3.207 10 30 DGEERN C#CC[C@H](C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000183322098 1204346147 /nfs/dbraw/zinc/34/61/47/1204346147.db2.gz FWIPRRQBXVZGMO-HNNXBMFYSA-N 0 0 321.376 3.038 10 30 DGEERN C#CCSCCNc1nc2cc(Br)ccc2o1 ZINC000705902764 1081805247 /nfs/dbraw/zinc/80/52/47/1081805247.db2.gz OPSXTGRMKKESMK-UHFFFAOYSA-N 0 0 311.204 3.369 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000588436424 1082268374 /nfs/dbraw/zinc/26/83/74/1082268374.db2.gz CWVMVAFLJNRDJW-RAXLEYEMSA-N 0 0 321.336 3.186 10 30 DGEERN COc1ccc(/C=C(/C)C(=O)NCc2ccc(C#N)cc2)cc1F ZINC000588436452 1082268661 /nfs/dbraw/zinc/26/86/61/1082268661.db2.gz POASKSMQFDMYSL-LCYFTJDESA-N 0 0 324.355 3.426 10 30 DGEERN Oc1ccc(Cl)cc1/C=N\C[C@@H]1COc2ccccc2O1 ZINC000005289935 1082410071 /nfs/dbraw/zinc/41/00/71/1082410071.db2.gz XXIWLTIKDPJURF-KURMNSRBSA-N 0 0 303.745 3.305 10 30 DGEERN COCc1ccccc1C(=O)OCC#Cc1cccc(OC)c1 ZINC000176599536 1082681765 /nfs/dbraw/zinc/68/17/65/1082681765.db2.gz QFSHVPFSWPCIDQ-UHFFFAOYSA-N 0 0 310.349 3.050 10 30 DGEERN CCN(C)c1ccc(/C=C2\COc3c(OC)cccc3C2=O)cn1 ZINC000588579205 1082732386 /nfs/dbraw/zinc/73/23/86/1082732386.db2.gz LWEXHSFPDFLACP-GXDHUFHOSA-N 0 0 324.380 3.205 10 30 DGEERN Cn1nccc1C(=O)/C=C\c1cccc(OCC(F)(F)F)c1 ZINC000588594972 1082830898 /nfs/dbraw/zinc/83/08/98/1082830898.db2.gz IYHACDJMTWTGBQ-WAYWQWQTSA-N 0 0 310.275 3.257 10 30 DGEERN CCS[C@@H](C(=O)OCC#Cc1cccc(OC)c1)C(C)C ZINC000176592944 1088124961 /nfs/dbraw/zinc/12/49/61/1088124961.db2.gz XNTVYHLJANFSIT-MRXNPFEDSA-N 0 0 306.427 3.368 10 30 DGEERN Cc1nnc(Sc2nc(C(F)(F)F)ccc2C#N)s1 ZINC000094336946 1089488853 /nfs/dbraw/zinc/48/88/53/1089488853.db2.gz XIQQEGSZYYJGSQ-UHFFFAOYSA-N 0 0 302.306 3.283 10 30 DGEERN C=CC[C@@H](CO)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000320177701 1095530617 /nfs/dbraw/zinc/53/06/17/1095530617.db2.gz RSQBBFBDYQPZPC-IHVVCDCBSA-N 0 0 300.185 3.060 10 30 DGEERN Cc1cc(C#N)ccc1CN1CCS[C@@H](C(F)(F)F)C1 ZINC000721443969 1097298512 /nfs/dbraw/zinc/29/85/12/1097298512.db2.gz YSOXWPMHLUACBJ-CYBMUJFWSA-N 0 0 300.349 3.346 10 30 DGEERN C#CCN(C(=O)c1cc(Br)ccc1OC)C(C)(C)C ZINC000723026569 1105334514 /nfs/dbraw/zinc/33/45/14/1105334514.db2.gz BAZFDADNPZVUMO-UHFFFAOYSA-N 0 0 324.218 3.332 10 30 DGEERN C#C[C@@](C)(CC)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000700595929 1108837844 /nfs/dbraw/zinc/83/78/44/1108837844.db2.gz VNIKGXLPHNYZJA-AWEZNQCLSA-N 0 0 300.185 3.290 10 30 DGEERN N#C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000366558278 229471947 /nfs/dbraw/zinc/47/19/47/229471947.db2.gz KRUNKSIEIKQZCB-CJNGLKHVSA-N 0 0 312.319 3.344 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000278665247 214310600 /nfs/dbraw/zinc/31/06/00/214310600.db2.gz GCSLOJXIAFOTJS-IUODEOHRSA-N 0 0 322.474 3.081 10 30 DGEERN COC1(CNc2ncc(Br)cc2C#N)CCCC1 ZINC000311058643 231116542 /nfs/dbraw/zinc/11/65/42/231116542.db2.gz JRKPMMKUTBLQBI-UHFFFAOYSA-N 0 0 310.195 3.087 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(C)C)nc1 ZINC000278735725 214365376 /nfs/dbraw/zinc/36/53/76/214365376.db2.gz RMQAWGDAPZPUOW-UHFFFAOYSA-N 0 0 301.312 3.092 10 30 DGEERN CCc1cc(C(=O)N(CCC#N)CC(F)(F)F)oc1CC ZINC000163593033 529510706 /nfs/dbraw/zinc/51/07/06/529510706.db2.gz GATDPYNAKHGIOT-UHFFFAOYSA-N 0 0 302.296 3.323 10 30 DGEERN CCc1cc(C)c(C(=O)Nc2ncccc2OCCCC#N)o1 ZINC000156831153 529525159 /nfs/dbraw/zinc/52/51/59/529525159.db2.gz NRSCMBYKGBPXPY-UHFFFAOYSA-N 0 0 313.357 3.480 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)COc2ccccc2C#N)cc1F ZINC000088233642 185243162 /nfs/dbraw/zinc/24/31/62/185243162.db2.gz JVGHLCRCHHAKTN-ZDUSSCGKSA-N 0 0 312.344 3.262 10 30 DGEERN CCn1nc(C)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1C ZINC000180476099 529601056 /nfs/dbraw/zinc/60/10/56/529601056.db2.gz IVFVAFSZKNKYLH-UHFFFAOYSA-N 0 0 308.385 3.327 10 30 DGEERN CCc1nc(C(C)(C)NCC#Cc2cccc(Cl)c2)no1 ZINC000441270495 529713756 /nfs/dbraw/zinc/71/37/56/529713756.db2.gz UOZLVTBYTDEGRR-UHFFFAOYSA-N 0 0 303.793 3.162 10 30 DGEERN N#Cc1cccnc1N1CCc2oc(-c3ccccc3)nc2C1 ZINC000064528354 432007928 /nfs/dbraw/zinc/00/79/28/432007928.db2.gz HEMBLNQAZSNVIH-UHFFFAOYSA-N 0 0 302.337 3.171 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000278014703 213912588 /nfs/dbraw/zinc/91/25/88/213912588.db2.gz FBGPNZNUHLRHBT-INIZCTEOSA-N 0 0 308.425 3.127 10 30 DGEERN CN(Cc1ccccc1F)C(=O)NCC1CCC(C#N)CC1 ZINC000441028969 530002434 /nfs/dbraw/zinc/00/24/34/530002434.db2.gz XHBZNWBTLQORFO-UHFFFAOYSA-N 0 0 303.381 3.297 10 30 DGEERN CCC1(CC)CN(c2ccc(Cl)cc2C#N)CC[S@]1=O ZINC000302231394 282379568 /nfs/dbraw/zinc/37/95/68/282379568.db2.gz XPDJRFMNMPMBFD-FQEVSTJZSA-N 0 0 310.850 3.339 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000130202054 432017972 /nfs/dbraw/zinc/01/79/72/432017972.db2.gz VHFKERUOYGWGIH-HNNXBMFYSA-N 0 0 322.364 3.287 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000277696278 213698042 /nfs/dbraw/zinc/69/80/42/213698042.db2.gz NZZQBIUPOGVGNQ-UHFFFAOYSA-N 0 0 308.208 3.315 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000279708962 215078357 /nfs/dbraw/zinc/07/83/57/215078357.db2.gz KHZYRHPZZIQZIM-HOCLYGCPSA-N 0 0 305.418 3.022 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000106633583 432021023 /nfs/dbraw/zinc/02/10/23/432021023.db2.gz IBCIPLNBFAFZSR-MSOLQXFVSA-N 0 0 306.365 3.333 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277406308 213503055 /nfs/dbraw/zinc/50/30/55/213503055.db2.gz ZTTOGBLBJXPASS-XJKSGUPXSA-N 0 0 313.401 3.380 10 30 DGEERN C=CCC[C@H](C(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccccc1 ZINC000277352829 213466517 /nfs/dbraw/zinc/46/65/17/213466517.db2.gz ZWUJLZAJPONKPO-KRWDZBQOSA-N 0 0 322.408 3.422 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2c(s1)CCOC2 ZINC000170872137 197843275 /nfs/dbraw/zinc/84/32/75/197843275.db2.gz XXPHLIZDSWPEGC-UHFFFAOYSA-N 0 0 305.321 3.011 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000152632083 186091806 /nfs/dbraw/zinc/09/18/06/186091806.db2.gz WIMCITNKPNFOEY-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN CC(C)c1nnc2n1C[C@H](Nc1cc(Cl)ccc1C#N)CC2 ZINC000172409538 198092904 /nfs/dbraw/zinc/09/29/04/198092904.db2.gz DTVHZWOJYIKLHS-CYBMUJFWSA-N 0 0 315.808 3.353 10 30 DGEERN CC(C)NC(=O)c1ccccc1NCCOc1cccc(C#N)c1 ZINC000172873487 198160757 /nfs/dbraw/zinc/16/07/57/198160757.db2.gz PYPMPEURWUKTER-UHFFFAOYSA-N 0 0 323.396 3.187 10 30 DGEERN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H](C)CO2)c1 ZINC000175952436 198529340 /nfs/dbraw/zinc/52/93/40/198529340.db2.gz XGMADPJGYSYJBC-KSSFIOAISA-N 0 0 323.396 3.105 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@H](C)CO2)c1 ZINC000175952418 198529859 /nfs/dbraw/zinc/52/98/59/198529859.db2.gz XGMADPJGYSYJBC-RDTXWAMCSA-N 0 0 323.396 3.105 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1c2ccccc2C[C@H]1C ZINC000004959100 181179664 /nfs/dbraw/zinc/17/96/64/181179664.db2.gz GSJGHHAYOLLAKX-ZIAGYGMSSA-N 0 0 306.365 3.303 10 30 DGEERN Cc1ccc(CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)o1 ZINC000075615899 191500862 /nfs/dbraw/zinc/50/08/62/191500862.db2.gz WQWJRTJZKZWQGO-UHFFFAOYSA-N 0 0 308.341 3.142 10 30 DGEERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081547468 192288239 /nfs/dbraw/zinc/28/82/39/192288239.db2.gz LRJRZGOTBWZBSI-SWLSCSKDSA-N 0 0 311.360 3.054 10 30 DGEERN N#Cc1ccc2ncc(CN3CCS[C@H]4CCCC[C@@H]43)n2c1 ZINC000093690049 283201245 /nfs/dbraw/zinc/20/12/45/283201245.db2.gz AWSURMLFLRGIDT-HOTGVXAUSA-N 0 0 312.442 3.066 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177788037 198777692 /nfs/dbraw/zinc/77/76/92/198777692.db2.gz HQJLUGHCZWLHDT-WFASDCNBSA-N 0 0 306.362 3.143 10 30 DGEERN Cc1cccc(NC(=O)CN(C)Cc2cc(C#N)cs2)c1C ZINC000179654631 432066197 /nfs/dbraw/zinc/06/61/97/432066197.db2.gz GZECOQSZHJHNDS-UHFFFAOYSA-N 0 0 313.426 3.307 10 30 DGEERN N#Cc1nc(N2CCC[C@@H]2c2ncc[nH]2)ccc1C(F)(F)F ZINC000328673235 283249046 /nfs/dbraw/zinc/24/90/46/283249046.db2.gz OXGABRDPJCCIDY-LLVKDONJSA-N 0 0 307.279 3.037 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000169071213 432071178 /nfs/dbraw/zinc/07/11/78/432071178.db2.gz XECJWSSGIUVRKL-MAUKXSAKSA-N 0 0 313.401 3.026 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(=O)n1C ZINC000276484124 212912155 /nfs/dbraw/zinc/91/21/55/212912155.db2.gz SJVLTVWZJJMVCD-UHFFFAOYSA-N 0 0 310.397 3.490 10 30 DGEERN CCN(C(=O)[C@@H]1CCCc2n[nH]cc21)[C@H](C)c1ccc(C#N)cc1 ZINC000134714473 432084049 /nfs/dbraw/zinc/08/40/49/432084049.db2.gz AXDOHJAMPWVCJC-CZUORRHYSA-N 0 0 322.412 3.311 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CCC(Cn2cccn2)CC1 ZINC000186985417 200043164 /nfs/dbraw/zinc/04/31/64/200043164.db2.gz HFXGGFDDAVWQIZ-UHFFFAOYSA-N 0 0 314.820 3.320 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C2CCC2)ccc1Cl ZINC000170873378 432085748 /nfs/dbraw/zinc/08/57/48/432085748.db2.gz MEIBOLBJZYBXSE-OAHLLOKOSA-N 0 0 324.833 3.165 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000189150169 200356645 /nfs/dbraw/zinc/35/66/45/200356645.db2.gz OXOUQELIDFVDDJ-RHSMWYFYSA-N 0 0 303.402 3.025 10 30 DGEERN Cc1csc([C@@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)n1 ZINC000435017361 238264468 /nfs/dbraw/zinc/26/44/68/238264468.db2.gz VDHVFQMDGNDTSX-GFCCVEGCSA-N 0 0 311.410 3.232 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000189821933 432093356 /nfs/dbraw/zinc/09/33/56/432093356.db2.gz HYEVKRSRRFRMLI-SFHVURJKSA-N 0 0 313.401 3.348 10 30 DGEERN CCn1cc(CC(=O)Nc2cc(C#N)ccn2)c2ccccc21 ZINC000435992733 238379700 /nfs/dbraw/zinc/37/97/00/238379700.db2.gz HYDKRHXNZSCQMX-UHFFFAOYSA-N 0 0 304.353 3.109 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000435994690 238379923 /nfs/dbraw/zinc/37/99/23/238379923.db2.gz KMGGIDFDOILWDB-UHFFFAOYSA-N 0 0 321.258 3.033 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000435993432 238380250 /nfs/dbraw/zinc/38/02/50/238380250.db2.gz JJAYGTHNEHEOPW-UHFFFAOYSA-N 0 0 300.321 3.268 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000435996451 238381511 /nfs/dbraw/zinc/38/15/11/238381511.db2.gz QSXUELFVFWNJCE-APWZRJJASA-N 0 0 303.365 3.186 10 30 DGEERN Cc1sc(NC(=O)CN2C[C@H](C)CC[C@H]2C)c(C#N)c1C ZINC000246100845 432095553 /nfs/dbraw/zinc/09/55/53/432095553.db2.gz AXBNNXNGUFPKIQ-GHMZBOCLSA-N 0 0 305.447 3.296 10 30 DGEERN CCCCN(C)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193189341 201005083 /nfs/dbraw/zinc/00/50/83/201005083.db2.gz YRMAKDRAZCAQOT-UHFFFAOYSA-N 0 0 308.385 3.442 10 30 DGEERN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C[C@H](C)C#N ZINC000477762021 291270750 /nfs/dbraw/zinc/27/07/50/291270750.db2.gz HASMMMIZQRQGJB-NOZJJQNGSA-N 0 0 315.200 3.299 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000194086010 201175144 /nfs/dbraw/zinc/17/51/44/201175144.db2.gz DFHXIQZACDZUNL-DOTOQJQBSA-N 0 0 305.381 3.094 10 30 DGEERN COc1ccc(OCCOc2ccc(C#N)cc2)cc1C(C)=O ZINC000180713973 432097481 /nfs/dbraw/zinc/09/74/81/432097481.db2.gz QAURAZGHWNZKJE-UHFFFAOYSA-N 0 0 311.337 3.227 10 30 DGEERN COC1(CNC(=O)NCC2CCC(C#N)CC2)CCC(C)CC1 ZINC000441014921 239002425 /nfs/dbraw/zinc/00/24/25/239002425.db2.gz QDPFZDHEOXFARX-UHFFFAOYSA-N 0 0 321.465 3.211 10 30 DGEERN N#Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccn1 ZINC000194981815 201321838 /nfs/dbraw/zinc/32/18/38/201321838.db2.gz NXARJAKRTIBMHX-UHFFFAOYSA-N 0 0 306.152 3.190 10 30 DGEERN N#Cc1ccc2ncc(CN3CCc4ccc(Cl)cc43)n2c1 ZINC000180738178 432099390 /nfs/dbraw/zinc/09/93/90/432099390.db2.gz RESUGLDGPSDZOA-UHFFFAOYSA-N 0 0 308.772 3.422 10 30 DGEERN COc1cc(OC)c(OC)cc1C=NNc1ccc(F)cc1 ZINC000006675001 181369488 /nfs/dbraw/zinc/36/94/88/181369488.db2.gz GEJQPELOEKQGFA-VCHYOVAHSA-N 0 0 304.321 3.298 10 30 DGEERN C=CC(C)(C)C(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000448957152 239946306 /nfs/dbraw/zinc/94/63/06/239946306.db2.gz UIYKXFCIWMYJQU-UHFFFAOYSA-N 0 0 312.457 3.500 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000449870248 240457949 /nfs/dbraw/zinc/45/79/49/240457949.db2.gz JVDTXVPJOCCESW-UHFFFAOYSA-N 0 0 311.360 3.088 10 30 DGEERN Cc1nc(C#N)c(N=NCc2ccc(Br)cc2)o1 ZINC000006861403 181398437 /nfs/dbraw/zinc/39/84/37/181398437.db2.gz IVCGHXGMQFYOKW-VIZOYTHASA-N 0 0 305.135 3.063 10 30 DGEERN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C#N)n2C)s1 ZINC000449923646 240481786 /nfs/dbraw/zinc/48/17/86/240481786.db2.gz FQEFSBVRYZKPMU-NSHDSACASA-N 0 0 316.430 3.057 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CCCC1 ZINC000450153515 240582955 /nfs/dbraw/zinc/58/29/55/240582955.db2.gz WBWYBHGYPUOUOZ-QGZVFWFLSA-N 0 0 315.413 3.429 10 30 DGEERN N#Cc1ccc(CN(CCCO)Cc2cccc(Cl)c2)o1 ZINC000092063600 193150789 /nfs/dbraw/zinc/15/07/89/193150789.db2.gz MXSXAQYVBYGATN-UHFFFAOYSA-N 0 0 304.777 3.189 10 30 DGEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000452049840 241306574 /nfs/dbraw/zinc/30/65/74/241306574.db2.gz JHGYXIPVLUOJHT-AWEZNQCLSA-N 0 0 301.358 3.008 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000081055385 283909137 /nfs/dbraw/zinc/90/91/37/283909137.db2.gz SAUYSMCDOIAAJA-UHFFFAOYSA-N 0 0 322.195 3.176 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453462510 241795558 /nfs/dbraw/zinc/79/55/58/241795558.db2.gz HBWAHRVEXSAKKR-WMLDXEAASA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N2CCC=C(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453465663 241796950 /nfs/dbraw/zinc/79/69/50/241796950.db2.gz MTVJLTNUPHIZTO-KRWDZBQOSA-N 0 0 302.422 3.036 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000181087316 432112153 /nfs/dbraw/zinc/11/21/53/432112153.db2.gz NHGJJTMIPJPGLZ-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN CC#CCN(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000455226789 242138672 /nfs/dbraw/zinc/13/86/72/242138672.db2.gz IECXXNGSLQVUCI-GFCCVEGCSA-N 0 0 320.261 3.233 10 30 DGEERN C=CCC[C@H](CO)NC(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000455051731 242096810 /nfs/dbraw/zinc/09/68/10/242096810.db2.gz SCYLOOXZIMHKGB-SECBINFHSA-N 0 0 318.751 3.375 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCCc1cnc(C)cn1 ZINC000455375180 242182803 /nfs/dbraw/zinc/18/28/03/242182803.db2.gz CKRWNEDQUWFGBE-UHFFFAOYSA-N 0 0 310.401 3.268 10 30 DGEERN C=CCCc1ccccc1NC(=O)NC1(CF)CCOCC1 ZINC000455374208 242182907 /nfs/dbraw/zinc/18/29/07/242182907.db2.gz BJFBNAKQELNYPW-UHFFFAOYSA-N 0 0 306.381 3.445 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1COCC1(C)C ZINC000455486639 242215862 /nfs/dbraw/zinc/21/58/62/242215862.db2.gz IGMARWJIIWAGKF-MRXNPFEDSA-N 0 0 302.418 3.199 10 30 DGEERN CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455543021 242229799 /nfs/dbraw/zinc/22/97/99/242229799.db2.gz OATXFTQANCHMEV-CYBMUJFWSA-N 0 0 301.365 3.195 10 30 DGEERN CCC[C@H](C)NC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135348931 432113689 /nfs/dbraw/zinc/11/36/89/432113689.db2.gz ZTLJZGLSUDGFLN-STQMWFEESA-N 0 0 320.458 3.493 10 30 DGEERN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(C)(C#N)CC1 ZINC000455990587 242324297 /nfs/dbraw/zinc/32/42/97/242324297.db2.gz HXJXSSNCCYFJJJ-UHFFFAOYSA-N 0 0 309.413 3.279 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000457944155 242916410 /nfs/dbraw/zinc/91/64/10/242916410.db2.gz KRCMVIRLWPXFPP-KBPBESRZSA-N 0 0 310.463 3.462 10 30 DGEERN C=CCC1(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)CCCCC1 ZINC000458562314 243091198 /nfs/dbraw/zinc/09/11/98/243091198.db2.gz YBXDLXLSHUIRRQ-CYBMUJFWSA-N 0 0 304.438 3.227 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC([C@@H](C)O)CC1)c1ccccc1 ZINC000275166984 212165505 /nfs/dbraw/zinc/16/55/05/212165505.db2.gz RSDBPGIYUQARJZ-CRAIPNDOSA-N 0 0 301.430 3.356 10 30 DGEERN CC#CCN(C)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000458732187 243142055 /nfs/dbraw/zinc/14/20/55/243142055.db2.gz IRGMZYYOXFQJSC-UHFFFAOYSA-N 0 0 308.784 3.332 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCCCC1CCOCC1 ZINC000458889732 243189423 /nfs/dbraw/zinc/18/94/23/243189423.db2.gz RSZRTVHHUVZRDN-UHFFFAOYSA-N 0 0 320.433 3.227 10 30 DGEERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000112674579 284094217 /nfs/dbraw/zinc/09/42/17/284094217.db2.gz SJIGFMAUUAGJPU-CVEARBPZSA-N 0 0 306.431 3.051 10 30 DGEERN C=CCCCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000468375044 244038390 /nfs/dbraw/zinc/03/83/90/244038390.db2.gz WKPHNMOYKLAYJT-UHFFFAOYSA-N 0 0 307.821 3.471 10 30 DGEERN Cc1cc([C@H]2CN(Cc3ccc(C#N)o3)CCO2)ccc1F ZINC000093637497 193279422 /nfs/dbraw/zinc/27/94/22/193279422.db2.gz ANKIXMTYUGWYLO-QGZVFWFLSA-N 0 0 300.333 3.172 10 30 DGEERN N#Cc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)o1 ZINC000093842974 193316479 /nfs/dbraw/zinc/31/64/79/193316479.db2.gz DFFKSLFYJQNHHN-SFHVURJKSA-N 0 0 310.397 3.375 10 30 DGEERN Cc1cc(C)cc(C2=CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 ZINC000093925826 193328032 /nfs/dbraw/zinc/32/80/32/193328032.db2.gz MPVOLTGULJOGHR-UHFFFAOYSA-N 0 0 319.408 3.443 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000487704169 245094151 /nfs/dbraw/zinc/09/41/51/245094151.db2.gz VRLDPNKJPNRVOC-CYBMUJFWSA-N 0 0 301.390 3.065 10 30 DGEERN C=CCN(C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000488931535 245250041 /nfs/dbraw/zinc/25/00/41/245250041.db2.gz NRYJACXUUMOWFL-SNVBAGLBSA-N 0 0 301.173 3.254 10 30 DGEERN Oc1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c(O)c1 ZINC000008344841 181550954 /nfs/dbraw/zinc/55/09/54/181550954.db2.gz RRLKUDQOIOIZQA-RMOCHZDMSA-N 0 0 318.201 3.239 10 30 DGEERN C#CCC(CC#C)C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000277491651 213562894 /nfs/dbraw/zinc/56/28/94/213562894.db2.gz RGIZFCULYXFOHZ-UHFFFAOYSA-N 0 0 305.377 3.471 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000125968559 284289706 /nfs/dbraw/zinc/28/97/06/284289706.db2.gz MLRALFBPKLTPQU-CYBMUJFWSA-N 0 0 312.344 3.203 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000125975294 284289580 /nfs/dbraw/zinc/28/95/80/284289580.db2.gz PTMAWAXUXBXJQQ-CYBMUJFWSA-N 0 0 312.344 3.203 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000265541062 204686731 /nfs/dbraw/zinc/68/67/31/204686731.db2.gz NIASLIZPMYXJMS-UHFFFAOYSA-N 0 0 302.353 3.441 10 30 DGEERN Cc1csc([C@@H]2CN([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000246404480 432126826 /nfs/dbraw/zinc/12/68/26/432126826.db2.gz PPHMQSGYABNRFZ-CJNGLKHVSA-N 0 0 313.426 3.458 10 30 DGEERN C=CCNC(=O)c1ccc(OCC(C)C)c(Br)c1 ZINC000014652400 181964025 /nfs/dbraw/zinc/96/40/25/181964025.db2.gz XWPPMRVWUMYFRM-UHFFFAOYSA-N 0 0 312.207 3.400 10 30 DGEERN N#Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128967060 284392972 /nfs/dbraw/zinc/39/29/72/284392972.db2.gz BZJWTVQMTPUWMG-OAHLLOKOSA-N 0 0 318.298 3.462 10 30 DGEERN N/C(=N\O)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000019865966 182157806 /nfs/dbraw/zinc/15/78/06/182157806.db2.gz BNNADQSLPYYLDH-UHFFFAOYSA-N 0 0 307.147 3.336 10 30 DGEERN C=CCN1c2cc(-c3csc(C)n3)ccc2O[C@@H](C)C1=O ZINC000020163495 182193999 /nfs/dbraw/zinc/19/39/99/182193999.db2.gz WBDBKICGGFFKLF-JTQLQIEISA-N 0 0 300.383 3.418 10 30 DGEERN N#Cc1cc(F)ccc1NC1CCN(CC(F)(F)F)CC1 ZINC000097635504 193741664 /nfs/dbraw/zinc/74/16/64/193741664.db2.gz UIESFXGXBRYDLT-UHFFFAOYSA-N 0 0 301.287 3.136 10 30 DGEERN C#CCNC(=O)[C@@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505279 182225739 /nfs/dbraw/zinc/22/57/39/182225739.db2.gz DWRWTBWFXGFPOC-SSDOTTSWSA-N 0 0 305.592 3.197 10 30 DGEERN N#Cc1cccc(C(=O)Nc2ccc(Br)cc2N)c1 ZINC000020520866 182226852 /nfs/dbraw/zinc/22/68/52/182226852.db2.gz AOMYNTZYMAJYEZ-UHFFFAOYSA-N 0 0 316.158 3.155 10 30 DGEERN Cc1ccc(NCc2ccc(C#N)cc2F)cc1S(C)(=O)=O ZINC000134885629 284453534 /nfs/dbraw/zinc/45/35/34/284453534.db2.gz VCPIJKMEQUFSEU-UHFFFAOYSA-N 0 0 318.373 3.021 10 30 DGEERN C=CCCCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000274434133 211608766 /nfs/dbraw/zinc/60/87/66/211608766.db2.gz CDPNACQHXKXBBQ-XJKSGUPXSA-N 0 0 300.402 3.367 10 30 DGEERN COc1ccc(OCCOc2ccccc2C#N)cc1C(C)=O ZINC000181745453 432144420 /nfs/dbraw/zinc/14/44/20/432144420.db2.gz RIWXWIJUVYEHMG-UHFFFAOYSA-N 0 0 311.337 3.227 10 30 DGEERN Cc1ccc(Br)cc1Nc1ncc(N)cc1C#N ZINC000037759195 182923875 /nfs/dbraw/zinc/92/38/75/182923875.db2.gz ICJDJJGWKVIWCI-UHFFFAOYSA-N 0 0 303.163 3.350 10 30 DGEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@@H](c2ccccc2Cl)O1 ZINC000039127600 183014282 /nfs/dbraw/zinc/01/42/82/183014282.db2.gz HOXUGHDDNZEASF-MRXNPFEDSA-N 0 0 314.772 3.272 10 30 DGEERN C=CCNC(=O)c1ccc(-n2nncc2-c2ccc(C)cc2)cc1 ZINC000040180163 183044912 /nfs/dbraw/zinc/04/49/12/183044912.db2.gz SAXKWXPVMKWMKH-UHFFFAOYSA-N 0 0 318.380 3.159 10 30 DGEERN C#CCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 ZINC000040278817 183050814 /nfs/dbraw/zinc/05/08/14/183050814.db2.gz GJGHWZDTRXWADV-UHFFFAOYSA-N 0 0 323.783 3.253 10 30 DGEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1cccc(OC)c1 ZINC000040306982 183053703 /nfs/dbraw/zinc/05/37/03/183053703.db2.gz BGPMUDIIOFMUNR-UHFFFAOYSA-N 0 0 321.380 3.014 10 30 DGEERN C=CCNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040598816 183107786 /nfs/dbraw/zinc/10/77/86/183107786.db2.gz YYTGKWJXCOMOBF-UHFFFAOYSA-N 0 0 319.752 3.248 10 30 DGEERN C#C/C=C\CCCCC#CC#CC#CCCC/C=C\C#CCO ZINC000040829311 183139337 /nfs/dbraw/zinc/13/93/37/183139337.db2.gz VWHUYEBWDMFMLW-WLXZLGQWSA-N 0 0 302.417 3.469 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000274314263 211505144 /nfs/dbraw/zinc/50/51/44/211505144.db2.gz YRRMGRHKFVJOPP-ZIAGYGMSSA-N 0 0 303.402 3.455 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 ZINC000041423902 183190754 /nfs/dbraw/zinc/19/07/54/183190754.db2.gz MTICJWPBBSRENT-KBXCAEBGSA-N 0 0 306.365 3.160 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000287243732 335042341 /nfs/dbraw/zinc/04/23/41/335042341.db2.gz GNJKFWFCEBQYTA-LPHOPBHVSA-N 0 0 321.424 3.419 10 30 DGEERN C[C@@H]1CC(C)(C)N(C(=O)c2cnn(C)c2C#N)c2ccccc21 ZINC000408348966 296286476 /nfs/dbraw/zinc/28/64/76/296286476.db2.gz FZSHRQFXLDQILX-GFCCVEGCSA-N 0 0 308.385 3.224 10 30 DGEERN C=CCCCN(C)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268918164 207085522 /nfs/dbraw/zinc/08/55/22/207085522.db2.gz IKCHFLNWIHQILL-UHFFFAOYSA-N 0 0 308.329 3.073 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000057158090 184029010 /nfs/dbraw/zinc/02/90/10/184029010.db2.gz IINPCILZFOPMFC-QGZVFWFLSA-N 0 0 316.445 3.174 10 30 DGEERN Cc1ccc(C(C)C)c(OCC(=O)NC2(C#N)CCCC2)c1 ZINC000058854473 184129879 /nfs/dbraw/zinc/12/98/79/184129879.db2.gz IFUOEUBBGOBXAO-UHFFFAOYSA-N 0 0 300.402 3.450 10 30 DGEERN Cc1nc(C(N)=O)cc(-c2ccc(Cl)cc2Cl)c1C#N ZINC000066112615 184390803 /nfs/dbraw/zinc/39/08/03/184390803.db2.gz ZDLKXFGWFXHOQZ-UHFFFAOYSA-N 0 0 306.152 3.334 10 30 DGEERN CSc1ccc(CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000176042113 532957017 /nfs/dbraw/zinc/95/70/17/532957017.db2.gz LVUHHCZFQVRFQM-UHFFFAOYSA-N 0 0 318.348 3.488 10 30 DGEERN CC[C@H](NC(=O)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466120 252613151 /nfs/dbraw/zinc/61/31/51/252613151.db2.gz AAABQUZQBQUNJU-INIZCTEOSA-N 0 0 309.325 3.348 10 30 DGEERN N#Cc1cccc(C(=O)NCc2ccccc2OC2CCC2)c1 ZINC000118265662 194880760 /nfs/dbraw/zinc/88/07/60/194880760.db2.gz RAEDWKLCMBIOCM-UHFFFAOYSA-N 0 0 306.365 3.420 10 30 DGEERN CCc1cc(O)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000191018308 207633951 /nfs/dbraw/zinc/63/39/51/207633951.db2.gz NWVWJUQFIUADJT-LBPRGKRZSA-N 0 0 310.353 3.232 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000177170452 252714147 /nfs/dbraw/zinc/71/41/47/252714147.db2.gz SWFLEGXPMMBONI-QGZVFWFLSA-N 0 0 311.360 3.307 10 30 DGEERN CSCCCC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000120095397 195095389 /nfs/dbraw/zinc/09/53/89/195095389.db2.gz APGZGUHALGYTJG-UHFFFAOYSA-N 0 0 300.330 3.241 10 30 DGEERN CC[C@@H](CC#N)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000158649916 197290736 /nfs/dbraw/zinc/29/07/36/197290736.db2.gz XDXXYBIWIWZEBJ-QWHCGFSZSA-N 0 0 313.323 3.151 10 30 DGEERN N#Cc1ccc(SCC(=O)NC/C=C\c2ccccc2)cc1 ZINC000255537387 285162306 /nfs/dbraw/zinc/16/23/06/285162306.db2.gz LEFGBSRRUZAQPP-DAXSKMNVSA-N 0 0 308.406 3.480 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343240036 254119105 /nfs/dbraw/zinc/11/91/05/254119105.db2.gz VMGMCKHWYHXKBK-WBVHZDCISA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000343240033 254119117 /nfs/dbraw/zinc/11/91/17/254119117.db2.gz VMGMCKHWYHXKBK-RDJZCZTQSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000343556723 254159750 /nfs/dbraw/zinc/15/97/50/254159750.db2.gz LERCWBOIOYTUSL-FUHWJXTLSA-N 0 0 314.335 3.144 10 30 DGEERN COc1cnccc1-c1noc(/C=C\c2cccc(C#N)c2)n1 ZINC000445626373 533133697 /nfs/dbraw/zinc/13/36/97/533133697.db2.gz IEBZPTGSPHZABJ-WAYWQWQTSA-N 0 0 304.309 3.182 10 30 DGEERN COc1cc2c(c(CN3CCC(C)(C#N)CC3)c1)O[C@@H](C)C2 ZINC000356942819 533148421 /nfs/dbraw/zinc/14/84/21/533148421.db2.gz ABXULNRMNQXFDY-ZDUSSCGKSA-N 0 0 300.402 3.144 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000155568523 197067231 /nfs/dbraw/zinc/06/72/31/197067231.db2.gz UPYNFJLVGKBOBY-NVXWUHKLSA-N 0 0 304.434 3.149 10 30 DGEERN CO[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000179788806 533185398 /nfs/dbraw/zinc/18/53/98/533185398.db2.gz FKGQXNITRZTNNZ-GOSISDBHSA-N 0 0 320.392 3.359 10 30 DGEERN N#Cc1cccnc1N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000120416648 195162375 /nfs/dbraw/zinc/16/23/75/195162375.db2.gz NOFINLYOGCWRMA-CQSZACIVSA-N 0 0 314.776 3.049 10 30 DGEERN COc1ccc(COc2cc(C(=O)N(C)C)ccc2C)cc1C#N ZINC000153065905 196847989 /nfs/dbraw/zinc/84/79/89/196847989.db2.gz XXFMBJSVRHHKPT-UHFFFAOYSA-N 0 0 324.380 3.156 10 30 DGEERN CCn1cc(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1 ZINC000120896469 195259518 /nfs/dbraw/zinc/25/95/18/195259518.db2.gz UGATYCMQGAFLTE-UHFFFAOYSA-N 0 0 323.400 3.186 10 30 DGEERN C[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000152012740 196758841 /nfs/dbraw/zinc/75/88/41/196758841.db2.gz NTUAWTPUDRGTSH-SCLBCKFNSA-N 0 0 324.355 3.300 10 30 DGEERN CC(C)(C)OC(=O)NC[C@@H](C=O)Cc1ccc2ccccc2n1 ZINC000098095876 256559221 /nfs/dbraw/zinc/55/92/21/256559221.db2.gz WUZGIEYYHBMEFL-ZDUSSCGKSA-N 0 0 314.385 3.117 10 30 DGEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccc2ccccc2n1 ZINC000253376628 257106681 /nfs/dbraw/zinc/10/66/81/257106681.db2.gz UNJNNEAMONPGBJ-AQNXPRMDSA-N 0 0 324.424 3.169 10 30 DGEERN CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000256428710 257104889 /nfs/dbraw/zinc/10/48/89/257104889.db2.gz GTFUITFQDGVJSK-RFVXBFLTSA-N 0 0 316.441 3.448 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000127746964 195905970 /nfs/dbraw/zinc/90/59/70/195905970.db2.gz HBNYYWTXHOXUQG-SECBINFHSA-N 0 0 320.270 3.382 10 30 DGEERN COCc1c2ccccc2oc1C(=O)Nc1cc(C#N)ccn1 ZINC000435988323 533239906 /nfs/dbraw/zinc/23/99/06/533239906.db2.gz GHSLUJPHBQVKLZ-UHFFFAOYSA-N 0 0 307.309 3.098 10 30 DGEERN COc1ccc2nc(C(=O)N(CC#N)c3ccccc3)ccc2c1 ZINC000195121240 533341911 /nfs/dbraw/zinc/34/19/11/533341911.db2.gz YJMRXQLOSFUHGO-UHFFFAOYSA-N 0 0 317.348 3.414 10 30 DGEERN COc1c(F)cc(F)cc1NC(=O)NCC1CCC(C#N)CC1 ZINC000441646368 533430268 /nfs/dbraw/zinc/43/02/68/533430268.db2.gz RELAGWBTSIWPPA-UHFFFAOYSA-N 0 0 323.343 3.425 10 30 DGEERN COc1cccc(OCCNc2cc(C(C)=O)ccc2C#N)c1 ZINC000302128203 533665190 /nfs/dbraw/zinc/66/51/90/533665190.db2.gz XCTZNWWHKYTBAR-UHFFFAOYSA-N 0 0 310.353 3.260 10 30 DGEERN CO[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1C ZINC000299923617 285774626 /nfs/dbraw/zinc/77/46/26/285774626.db2.gz WYGAFIJSZRZAKP-QMTHXVAHSA-N 0 0 309.207 3.182 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCCC[C@@H]1CCC ZINC000616114797 400086054 /nfs/dbraw/zinc/08/60/54/400086054.db2.gz DRFXUOASPPBMMT-BBWFWOEESA-N 0 0 308.466 3.180 10 30 DGEERN Cc1ccc(NCCCC#N)cc1I ZINC000300997189 400100001 /nfs/dbraw/zinc/10/00/01/400100001.db2.gz WRCFBRNKNPGFTN-UHFFFAOYSA-N 0 0 300.143 3.315 10 30 DGEERN N#CCCNc1cc(I)ccc1Cl ZINC000300951697 400100394 /nfs/dbraw/zinc/10/03/94/400100394.db2.gz LWSGRULBVJQUFG-UHFFFAOYSA-N 0 0 306.534 3.270 10 30 DGEERN C=C(C)COCCNC(=O)N1CCc2sc(Cl)cc2C1 ZINC000584777412 400102232 /nfs/dbraw/zinc/10/22/32/400102232.db2.gz PKQSCTHFYMOPLM-UHFFFAOYSA-N 0 0 314.838 3.062 10 30 DGEERN C=CC(C)(C)CCN[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000600602066 400105598 /nfs/dbraw/zinc/10/55/98/400105598.db2.gz MRPXOEKGGYWMON-INIZCTEOSA-N 0 0 321.417 3.110 10 30 DGEERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247962 400109493 /nfs/dbraw/zinc/10/94/93/400109493.db2.gz CXJAGXGLRKMUDB-FZKQIMNGSA-N 0 0 305.381 3.433 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000581437824 400079449 /nfs/dbraw/zinc/07/94/49/400079449.db2.gz YBOVTYSFCFCAJC-UHFFFAOYSA-N 0 0 313.405 3.350 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000584850923 400116797 /nfs/dbraw/zinc/11/67/97/400116797.db2.gz QIQDYZOKGWQQMP-UHFFFAOYSA-N 0 0 322.405 3.262 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](CO)c1c(F)cccc1F ZINC000581892433 400084387 /nfs/dbraw/zinc/08/43/87/400084387.db2.gz LRPNZONNJZDCAB-AWEZNQCLSA-N 0 0 312.360 3.044 10 30 DGEERN Cc1cc(C#N)nc(N(C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000586964493 400171688 /nfs/dbraw/zinc/17/16/88/400171688.db2.gz AJEOCKCSNUMMFP-UHFFFAOYSA-N 0 0 306.291 3.312 10 30 DGEERN COc1cccc(CN(CC(C)C)c2nc(C)cc(C#N)n2)c1 ZINC000587565308 400174440 /nfs/dbraw/zinc/17/44/40/400174440.db2.gz ZKGWHZYLHXJMGH-UHFFFAOYSA-N 0 0 310.401 3.328 10 30 DGEERN CC(C)(C)OC(=O)N1CCCOC[C@@H]1c1cccc(C#N)c1 ZINC000616600030 400181764 /nfs/dbraw/zinc/18/17/64/400181764.db2.gz YFVUGOFECXRGPB-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCN(CC=C)C(=O)CNc1cc(F)ccc1OC(C)C ZINC000066826828 400123027 /nfs/dbraw/zinc/12/30/27/400123027.db2.gz XVCGYOOCNHYVFU-UHFFFAOYSA-N 0 0 306.381 3.225 10 30 DGEERN C=CCCSCCN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000600705083 400134701 /nfs/dbraw/zinc/13/47/01/400134701.db2.gz XZIGHTQJYKFJAW-MRXNPFEDSA-N 0 0 310.463 3.187 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccn(C)c1-c1ccccc1 ZINC000616409218 400141927 /nfs/dbraw/zinc/14/19/27/400141927.db2.gz KDABZQZDGOCFPZ-RDJZCZTQSA-N 0 0 310.397 3.013 10 30 DGEERN COc1ccccc1-c1cc(NC(=O)c2sccc2C#N)n[nH]1 ZINC000609201393 400149374 /nfs/dbraw/zinc/14/93/74/400149374.db2.gz HMCKJMQFZOIBFT-UHFFFAOYSA-N 0 0 324.365 3.271 10 30 DGEERN Cc1oc(C(C)C)nc1C(=O)NCc1ccc(C#N)cc1F ZINC000586774750 400152923 /nfs/dbraw/zinc/15/29/23/400152923.db2.gz HNKUTTKMDDWOOK-UHFFFAOYSA-N 0 0 301.321 3.047 10 30 DGEERN CSCc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000609229640 400152878 /nfs/dbraw/zinc/15/28/78/400152878.db2.gz GPBNHHFROMJYHW-UHFFFAOYSA-N 0 0 314.385 3.490 10 30 DGEERN Cc1cc(CNC(=O)NCc2ccc(C#N)cc2F)ccc1F ZINC000609239402 400153942 /nfs/dbraw/zinc/15/39/42/400153942.db2.gz KNRKOVAMRJOTIH-UHFFFAOYSA-N 0 0 315.323 3.144 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccnc2)c(F)c1 ZINC000609253840 400155468 /nfs/dbraw/zinc/15/54/68/400155468.db2.gz NAVZUECKXJIWLZ-KRWDZBQOSA-N 0 0 324.359 3.139 10 30 DGEERN C[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609253914 400156032 /nfs/dbraw/zinc/15/60/32/400156032.db2.gz BGNCOXZZLXBBCI-CYBMUJFWSA-N 0 0 311.360 3.300 10 30 DGEERN COc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1F ZINC000609253721 400156296 /nfs/dbraw/zinc/15/62/96/400156296.db2.gz SSYYWJUYLJXMND-UHFFFAOYSA-N 0 0 317.295 3.167 10 30 DGEERN CC#CC[C@H](CO)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000616506482 400162997 /nfs/dbraw/zinc/16/29/97/400162997.db2.gz XMHLKDCYWOUCGA-LJQANCHMSA-N 0 0 313.441 3.167 10 30 DGEERN CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000015800962 400168152 /nfs/dbraw/zinc/16/81/52/400168152.db2.gz XGMIYCVKVGEONF-ZDUSSCGKSA-N 0 0 310.353 3.363 10 30 DGEERN CCc1csc(NC(=O)NCc2ccc(C#N)cc2F)n1 ZINC000610331782 400242636 /nfs/dbraw/zinc/24/26/36/400242636.db2.gz NLNYCLDURNXQIE-UHFFFAOYSA-N 0 0 304.350 3.038 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000610353124 400248413 /nfs/dbraw/zinc/24/84/13/400248413.db2.gz WPTGBRYUXIMMML-RDJZCZTQSA-N 0 0 315.392 3.465 10 30 DGEERN CCN(CCC(=O)OC)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092681896 400194453 /nfs/dbraw/zinc/19/44/53/400194453.db2.gz NJWOUMSYNBBMES-UHFFFAOYSA-N 0 0 317.776 3.149 10 30 DGEERN CC(C)(C)OC(=O)N1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616662956 400196594 /nfs/dbraw/zinc/19/65/94/400196594.db2.gz MPZOCMDCRBRALR-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C=CCSCCNC(=O)Cc1coc2c1ccc(OC)c2C ZINC000601019629 400205685 /nfs/dbraw/zinc/20/56/85/400205685.db2.gz LTUGDXQQJXGGAR-UHFFFAOYSA-N 0 0 319.426 3.328 10 30 DGEERN Cc1cccc2c1ncc(C#N)c2NC[C@@H](CO)c1ccccc1 ZINC000610517124 400269440 /nfs/dbraw/zinc/26/94/40/400269440.db2.gz ZHXJVRDLTYCYFX-KRWDZBQOSA-N 0 0 317.392 3.025 10 30 DGEERN Cc1nc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(Cl)cc1C#N ZINC000589690274 400322127 /nfs/dbraw/zinc/32/21/27/400322127.db2.gz XHDHKVWOULOKFF-OCCSQVGLSA-N 0 0 307.825 3.148 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000617034877 400286749 /nfs/dbraw/zinc/28/67/49/400286749.db2.gz FMOGISBPAAXCHH-CVEARBPZSA-N 0 0 315.413 3.251 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000617037716 400287868 /nfs/dbraw/zinc/28/78/68/400287868.db2.gz PXIACMAQUONDPE-DGCLKSJQSA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1nnn(-c2ccccc2)c1C ZINC000617037215 400287894 /nfs/dbraw/zinc/28/78/94/400287894.db2.gz JQWUUUTYWRRUDS-DOTOQJQBSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)nn(C)c1C ZINC000617037104 400288189 /nfs/dbraw/zinc/28/81/89/400288189.db2.gz IJIWEBYFGFPUBF-NVXWUHKLSA-N 0 0 303.450 3.221 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1OC ZINC000617039523 400288810 /nfs/dbraw/zinc/28/88/10/400288810.db2.gz IPSYXRVLVPNFGD-GJZGRUSLSA-N 0 0 302.418 3.358 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Nc1ccccc1 ZINC000617038409 400288867 /nfs/dbraw/zinc/28/88/67/400288867.db2.gz WXTDUPZOXNJXDJ-GDBMZVCRSA-N 0 0 315.417 3.059 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000617038577 400288887 /nfs/dbraw/zinc/28/88/87/400288887.db2.gz ZBPOOTAUWCQODY-BFYDXBDKSA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1csc2nccn12 ZINC000617039265 400288987 /nfs/dbraw/zinc/28/89/87/400288987.db2.gz FGTDEZPAZIEKNJ-TZMCWYRMSA-N 0 0 303.431 3.189 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000617040211 400290299 /nfs/dbraw/zinc/29/02/99/400290299.db2.gz QVCJCAWFNYZVRV-FVQBIDKESA-N 0 0 312.413 3.364 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC(F)F)CC1 ZINC000617042512 400291342 /nfs/dbraw/zinc/29/13/42/400291342.db2.gz SGOYNSGQMONNRU-HIFRSBDPSA-N 0 0 314.420 3.215 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000617044490 400292019 /nfs/dbraw/zinc/29/20/19/400292019.db2.gz OQCMZKYHRNFECF-AAEUAGOBSA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000617044045 400292331 /nfs/dbraw/zinc/29/23/31/400292331.db2.gz IBEXTDRIDNADAZ-VYDXJSESSA-N 0 0 301.434 3.005 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000617043948 400292440 /nfs/dbraw/zinc/29/24/40/400292440.db2.gz HANYRJPMHCRDFS-AEFFLSMTSA-N 0 0 324.428 3.061 10 30 DGEERN CC(C)(C)OC(=O)N1CC(N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000409438184 400301451 /nfs/dbraw/zinc/30/14/51/400301451.db2.gz CIKNVNXFLPHPCJ-AWEZNQCLSA-N 0 0 321.808 3.114 10 30 DGEERN C=CCN(C(=O)[C@H]1CC12CCC2)c1nc(C(=O)OCC)cs1 ZINC000610748783 400301394 /nfs/dbraw/zinc/30/13/94/400301394.db2.gz OCHBSUKMVKWLDB-LLVKDONJSA-N 0 0 320.414 3.029 10 30 DGEERN Cc1ccc(-c2[nH]nc(NC(=O)Cc3cccc(C#N)c3)c2C)o1 ZINC000610925663 400324858 /nfs/dbraw/zinc/32/48/58/400324858.db2.gz GYZRTRZQWBSLAW-UHFFFAOYSA-N 0 0 320.352 3.339 10 30 DGEERN N#CCC(=O)[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000536950323 400315021 /nfs/dbraw/zinc/31/50/21/400315021.db2.gz JERWJNYHTASCHU-SNVBAGLBSA-N 0 0 311.168 3.219 10 30 DGEERN N#CCn1c(C(=O)N[C@@H]2CCCC(F)(F)C2)cc2ccccc21 ZINC000610863025 400316718 /nfs/dbraw/zinc/31/67/18/400316718.db2.gz NUKBNQIFRGDSFT-CYBMUJFWSA-N 0 0 317.339 3.473 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)CC2(C#N)CC2)cc1)[C@H]1C[C@@H]1C ZINC000590530354 400394429 /nfs/dbraw/zinc/39/44/29/400394429.db2.gz VWAZEJCBNCTVEG-LRDDRELGSA-N 0 0 311.385 3.080 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCCN2C(=O)CC)CCCC1 ZINC000617416402 400384232 /nfs/dbraw/zinc/38/42/32/400384232.db2.gz OTBSOQROPRCIOY-INIZCTEOSA-N 0 0 320.477 3.420 10 30 DGEERN C=CCCC1(CNC(=O)CCNC(=O)C(C)(C)C)CCCC1 ZINC000617416118 400384592 /nfs/dbraw/zinc/38/45/92/400384592.db2.gz BPHWHPTZNDGGIP-UHFFFAOYSA-N 0 0 308.466 3.182 10 30 DGEERN C=CCCC1(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)CCCC1 ZINC000617418234 400385316 /nfs/dbraw/zinc/38/53/16/400385316.db2.gz XEMZTFUXNQZTJI-UHFFFAOYSA-N 0 0 315.417 3.316 10 30 DGEERN C=CCCC1(CNC(=O)c2cn(C3CCC3)nn2)CCCC1 ZINC000617417764 400385331 /nfs/dbraw/zinc/38/53/31/400385331.db2.gz FYKZXJLAAIBAQV-UHFFFAOYSA-N 0 0 302.422 3.260 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCc3n[nH]cc32)CCCC1 ZINC000617417343 400385539 /nfs/dbraw/zinc/38/55/39/400385539.db2.gz VLWANEHTPAJLLC-CQSZACIVSA-N 0 0 301.434 3.472 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCc3c[nH]nc3C2)CCCC1 ZINC000617417202 400385674 /nfs/dbraw/zinc/38/56/74/400385674.db2.gz PLXLAJUFLLVSPN-AWEZNQCLSA-N 0 0 301.434 3.157 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NCCC1(F)CCC1 ZINC000578463324 400329530 /nfs/dbraw/zinc/32/95/30/400329530.db2.gz XQLUEFCDTIDTLT-UHFFFAOYSA-N 0 0 307.365 3.272 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000578622422 400330692 /nfs/dbraw/zinc/33/06/92/400330692.db2.gz OQYXZGQCNLFTJW-ILXRZTDVSA-N 0 0 324.465 3.350 10 30 DGEERN CC#CCN(C)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000579000413 400334594 /nfs/dbraw/zinc/33/45/94/400334594.db2.gz ILPRYOFFFQYNPE-GJZGRUSLSA-N 0 0 324.428 3.254 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)Cc1ccccc1C ZINC000579466056 400339349 /nfs/dbraw/zinc/33/93/49/400339349.db2.gz IIZHWTGYHPJJGI-IRXDYDNUSA-N 0 0 316.445 3.206 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000579511257 400339616 /nfs/dbraw/zinc/33/96/16/400339616.db2.gz FVWFITAGCWSNAV-FVQHAEBGSA-N 0 0 316.449 3.350 10 30 DGEERN C=CCC1(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000579543230 400339697 /nfs/dbraw/zinc/33/96/97/400339697.db2.gz RTMMKISXOGFCNP-UHFFFAOYSA-N 0 0 300.358 3.226 10 30 DGEERN C=CCCCCCNC(=O)NCc1nc2ccccc2n1C ZINC000579610552 400341052 /nfs/dbraw/zinc/34/10/52/400341052.db2.gz FKKCSPNTTITKFZ-UHFFFAOYSA-N 0 0 300.406 3.119 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000579821709 400342334 /nfs/dbraw/zinc/34/23/34/400342334.db2.gz IEMFUUPZMJNRRI-UHFFFAOYSA-N 0 0 318.371 3.258 10 30 DGEERN CC[C@H](CC#N)Nc1ccccc1I ZINC000036680717 400391839 /nfs/dbraw/zinc/39/18/39/400391839.db2.gz ICRLQHKTARWGRA-SECBINFHSA-N 0 0 300.143 3.395 10 30 DGEERN C=CCSc1ccccc1C(=O)Nc1nnc(C2CC2)n1C ZINC000617284809 400343122 /nfs/dbraw/zinc/34/31/22/400343122.db2.gz MRYWFTHPDJZIPF-UHFFFAOYSA-N 0 0 314.414 3.223 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc(CSCC)cc1)C(=O)OC ZINC000601785703 400349194 /nfs/dbraw/zinc/34/91/94/400349194.db2.gz NSOLVMNGWMVGGJ-OAHLLOKOSA-N 0 0 321.442 3.177 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)OC ZINC000601787979 400349640 /nfs/dbraw/zinc/34/96/40/400349640.db2.gz NSXQVACXKQPNNX-CYBMUJFWSA-N 0 0 309.793 3.194 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)c1ccccc1 ZINC000581069963 400350142 /nfs/dbraw/zinc/35/01/42/400350142.db2.gz XWKHGNKDVUFKEB-SJORKVTESA-N 0 0 323.458 3.038 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000611139575 400350951 /nfs/dbraw/zinc/35/09/51/400350951.db2.gz QPPOVPCWBMUPRD-QZTJIDSGSA-N 0 0 318.376 3.260 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601872975 400368372 /nfs/dbraw/zinc/36/83/72/400368372.db2.gz BVAJPTLFXUDQSS-KFWWJZLASA-N 0 0 301.438 3.496 10 30 DGEERN C=CCN(CC=C)C(=O)CNc1ccccc1CCSC ZINC000601928104 400377976 /nfs/dbraw/zinc/37/79/76/400377976.db2.gz PKTQUVKVEKOFHG-UHFFFAOYSA-N 0 0 304.459 3.205 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000041807733 400413962 /nfs/dbraw/zinc/41/39/62/400413962.db2.gz FQUGYAXHEGLPJB-CZUORRHYSA-N 0 0 300.402 3.319 10 30 DGEERN CN1CCc2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc21 ZINC000611434638 400400934 /nfs/dbraw/zinc/40/09/34/400400934.db2.gz XIYFMAKBRNGBRT-UHFFFAOYSA-N 0 0 324.359 3.011 10 30 DGEERN C=CCN(C(=O)CCc1c[nH]c2ccc(C)cc12)[C@H](C)COC ZINC000617580317 400418214 /nfs/dbraw/zinc/41/82/14/400418214.db2.gz UYGIVTXAQSVOEA-OAHLLOKOSA-N 0 0 314.429 3.458 10 30 DGEERN C=CCN(C(=O)c1ccn(C2CCCCC2)n1)[C@@H](C)COC ZINC000617582887 400418974 /nfs/dbraw/zinc/41/89/74/400418974.db2.gz XGIYLOBETBHNNB-AWEZNQCLSA-N 0 0 305.422 3.051 10 30 DGEERN C=CCN(C(=O)c1cc2cccc(F)c2nc1C)[C@H](C)COC ZINC000617585034 400419650 /nfs/dbraw/zinc/41/96/50/400419650.db2.gz RMMCHEQJJCPUHH-GFCCVEGCSA-N 0 0 316.376 3.345 10 30 DGEERN C=CC[C@H]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCCO2)C1 ZINC000611841791 400458081 /nfs/dbraw/zinc/45/80/81/400458081.db2.gz PSOUZWADAMQAEZ-HOCLYGCPSA-N 0 0 316.449 3.127 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(NCC)c([N+](=O)[O-])c2)C1 ZINC000602376830 400448340 /nfs/dbraw/zinc/44/83/40/400448340.db2.gz MRVWGDRKOKUQGZ-LBPRGKRZSA-N 0 0 303.362 3.065 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH]c3=O)c2)C1 ZINC000617777732 400451925 /nfs/dbraw/zinc/45/19/25/400451925.db2.gz VUUVWPYETUUXIG-AWEZNQCLSA-N 0 0 311.385 3.006 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000617786344 400454052 /nfs/dbraw/zinc/45/40/52/400454052.db2.gz XPPAVHPGVHEPEB-ZDUSSCGKSA-N 0 0 305.422 3.114 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000617788462 400455247 /nfs/dbraw/zinc/45/52/47/400455247.db2.gz JLPADQBPACQXGK-LRDDRELGSA-N 0 0 305.805 3.458 10 30 DGEERN CC(C)Oc1cc(O)ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000617821738 400457797 /nfs/dbraw/zinc/45/77/97/400457797.db2.gz CFHPFJOGQOQAIF-UHFFFAOYSA-N 0 0 310.353 3.232 10 30 DGEERN CCCCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N ZINC000043379704 400465659 /nfs/dbraw/zinc/46/56/59/400465659.db2.gz MFFHYWGQFAGVAQ-QWHCGFSZSA-N 0 0 305.426 3.081 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C)c1 ZINC000123230944 400467253 /nfs/dbraw/zinc/46/72/53/400467253.db2.gz UUZAMQDTGJBSQY-CYBMUJFWSA-N 0 0 318.417 3.131 10 30 DGEERN CN(CCC#N)C(=O)c1ccccc1SCc1cscn1 ZINC000073841581 400472282 /nfs/dbraw/zinc/47/22/82/400472282.db2.gz MVJMJAZQAPWPHW-UHFFFAOYSA-N 0 0 317.439 3.421 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nc(C)no1 ZINC000591012108 400476429 /nfs/dbraw/zinc/47/64/29/400476429.db2.gz RVMRGLDBVVYPBI-NSHDSACASA-N 0 0 302.334 3.035 10 30 DGEERN Cc1ccc(C[C@@H](C)N(C)C(=O)COc2ccccc2C#N)cc1 ZINC000129015940 400520695 /nfs/dbraw/zinc/52/06/95/400520695.db2.gz NMBOMINVSOBWBN-MRXNPFEDSA-N 0 0 322.408 3.335 10 30 DGEERN C=CCC[C@@H](C(=O)NCCO[C@@H]1CC1(F)F)c1ccccc1 ZINC000618132862 400531839 /nfs/dbraw/zinc/53/18/39/400531839.db2.gz JWAFCKSDYWCXTM-HUUCEWRRSA-N 0 0 309.356 3.277 10 30 DGEERN C=CCN(CCc1ccco1)Cc1cnc(C(=O)OCC)s1 ZINC000602802205 400578944 /nfs/dbraw/zinc/57/89/44/400578944.db2.gz OZWGMBDHNWSPDJ-UHFFFAOYSA-N 0 0 320.414 3.144 10 30 DGEERN C=CCC1(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000618250473 400551648 /nfs/dbraw/zinc/55/16/48/400551648.db2.gz CGLSLALZFPNZSW-NWDGAFQWSA-N 0 0 305.340 3.207 10 30 DGEERN C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)CCOCC1 ZINC000618251982 400552514 /nfs/dbraw/zinc/55/25/14/400552514.db2.gz WAMHKOZEDVMYHA-DLBZAZTESA-N 0 0 315.413 3.040 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc(OC(C)C)c(OC)c1)C(=O)OC ZINC000602730358 400556149 /nfs/dbraw/zinc/55/61/49/400556149.db2.gz BEKVYAKEHXUROG-OAHLLOKOSA-N 0 0 321.417 3.080 10 30 DGEERN C=C(C)C[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)OC ZINC000602734617 400556773 /nfs/dbraw/zinc/55/67/73/400556773.db2.gz PYDYSUMFYAAREB-AWEZNQCLSA-N 0 0 316.426 3.408 10 30 DGEERN C=C(C)C[C@@H](NC/C(C)=C/c1ccccc1COC)C(=O)OC ZINC000602733041 400556790 /nfs/dbraw/zinc/55/67/90/400556790.db2.gz HDKVYDDHEPYDEE-HAZIXKIPSA-N 0 0 317.429 3.334 10 30 DGEERN C=CCC[C@H](C(=O)N1C[C@H](C)C(O)[C@@H](C)C1)c1ccccc1 ZINC000618273670 400557296 /nfs/dbraw/zinc/55/72/96/400557296.db2.gz FVQAOGVLZQYXCB-ZOBUZTSGSA-N 0 0 301.430 3.212 10 30 DGEERN C=C(C)C[C@H](NCc1cccc(-c2cccnc2)c1)C(=O)OC ZINC000602733318 400557428 /nfs/dbraw/zinc/55/74/28/400557428.db2.gz HEKTTYRILXXXGT-SFHVURJKSA-N 0 0 310.397 3.346 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2ncc(C#N)cc2Cl)c1 ZINC000075066359 400557657 /nfs/dbraw/zinc/55/76/57/400557657.db2.gz AMUSJLSGKDMPJH-UHFFFAOYSA-N 0 0 300.749 3.333 10 30 DGEERN C=C(C)C[C@H](N[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739050 400559748 /nfs/dbraw/zinc/55/97/48/400559748.db2.gz PHBUILLZARXBPV-PILAGYSTSA-N 0 0 317.429 3.285 10 30 DGEERN C=CCCCN(C)c1nnc([C@H]2CCCCO2)n1CC1CC1 ZINC000612933392 400628586 /nfs/dbraw/zinc/62/85/86/400628586.db2.gz LSQNKPBPAUWPEU-OAHLLOKOSA-N 0 0 304.438 3.332 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1CCSC ZINC000603076789 400637053 /nfs/dbraw/zinc/63/70/53/400637053.db2.gz OOYJOCSZWROSKC-CABCVRRESA-N 0 0 306.431 3.057 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CCC(C(C)C)CC1 ZINC000612672879 400585076 /nfs/dbraw/zinc/58/50/76/400585076.db2.gz BOBRTVUKSDWGOG-JCYILVPMSA-N 0 0 308.466 3.036 10 30 DGEERN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)[C@H]3CC[C@@]21C ZINC000137890140 400596636 /nfs/dbraw/zinc/59/66/36/400596636.db2.gz SUHARHYRKNETPJ-RPZLJYRGSA-N 0 0 318.457 3.242 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592013166 400596949 /nfs/dbraw/zinc/59/69/49/400596949.db2.gz MWVQYHJROMWNIF-OLZOCXBDSA-N 0 0 310.438 3.008 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592054154 400599869 /nfs/dbraw/zinc/59/98/69/400599869.db2.gz HEUIXRAQLVQZJX-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCOCCCNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000618514750 400608182 /nfs/dbraw/zinc/60/81/82/400608182.db2.gz OEWXIRIYRCSRAX-UHFFFAOYSA-N 0 0 307.821 3.471 10 30 DGEERN C=CCOCCCNC(=O)c1sc(C)cc1Br ZINC000618516454 400609037 /nfs/dbraw/zinc/60/90/37/400609037.db2.gz PHDXJDKFTFTUAD-UHFFFAOYSA-N 0 0 318.236 3.142 10 30 DGEERN C=CCOCCCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000618515598 400609149 /nfs/dbraw/zinc/60/91/49/400609149.db2.gz ZQADSWRONIYYLW-UHFFFAOYSA-N 0 0 300.402 3.200 10 30 DGEERN C#CCOCCOCCOCCOCC#CCCCCCCC ZINC000139596221 400609623 /nfs/dbraw/zinc/60/96/23/400609623.db2.gz OPOIVKQCAOAUGF-UHFFFAOYSA-N 0 0 324.461 3.050 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000618520518 400610122 /nfs/dbraw/zinc/61/01/22/400610122.db2.gz FLUIOSUGNXFJDT-HNNXBMFYSA-N 0 0 305.418 3.286 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(OCC=C(C)C)c1 ZINC000618523670 400610785 /nfs/dbraw/zinc/61/07/85/400610785.db2.gz MGVOFBGELPWTOG-UHFFFAOYSA-N 0 0 303.402 3.354 10 30 DGEERN C=CCOCCCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000618522885 400610890 /nfs/dbraw/zinc/61/08/90/400610890.db2.gz XGLOETZGFIGOCP-AWEZNQCLSA-N 0 0 315.335 3.432 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000618521525 400611043 /nfs/dbraw/zinc/61/10/43/400611043.db2.gz WZTUYRITKULFIZ-ZDUSSCGKSA-N 0 0 311.809 3.125 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000618524725 400611240 /nfs/dbraw/zinc/61/12/40/400611240.db2.gz NXQTZMYYOSTTPO-HNNXBMFYSA-N 0 0 313.397 3.316 10 30 DGEERN C=CCOCCCNC(=O)CSc1nccc2ccccc21 ZINC000618526888 400611305 /nfs/dbraw/zinc/61/13/05/400611305.db2.gz ZFLXRTBXSUMCNV-UHFFFAOYSA-N 0 0 316.426 3.036 10 30 DGEERN C=CCOCCCNC(=O)c1nc(C)sc1-c1ccccc1 ZINC000618525517 400611397 /nfs/dbraw/zinc/61/13/97/400611397.db2.gz DERDFACDIIBWMX-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)c1cnn(C2CCCC2)c1CCC ZINC000618526966 400611884 /nfs/dbraw/zinc/61/18/84/400611884.db2.gz WNSYULYICPRPTD-UHFFFAOYSA-N 0 0 319.449 3.273 10 30 DGEERN C=C(C)CN(C)c1nnc(-c2scnc2C)n1CC1CC1 ZINC000613051030 400648951 /nfs/dbraw/zinc/64/89/51/400648951.db2.gz KCMZYGBNUKDESZ-UHFFFAOYSA-N 0 0 303.435 3.132 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000603148356 400649463 /nfs/dbraw/zinc/64/94/63/400649463.db2.gz BRWGXCZWZFWODP-QGZVFWFLSA-N 0 0 311.429 3.198 10 30 DGEERN COc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000146678940 400650227 /nfs/dbraw/zinc/65/02/27/400650227.db2.gz LYBYBTFKTAPFGO-LICLKQGHSA-N 0 0 316.313 3.371 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(CSCC)c1 ZINC000076312329 400647612 /nfs/dbraw/zinc/64/76/12/400647612.db2.gz CTWGGGPENZXUFJ-UHFFFAOYSA-N 0 0 320.458 3.303 10 30 DGEERN C=CCCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000076484476 400657847 /nfs/dbraw/zinc/65/78/47/400657847.db2.gz JNVILTKBNUITDH-UHFFFAOYSA-N 0 0 317.458 3.395 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)C1CCCCC1 ZINC000613151814 400663505 /nfs/dbraw/zinc/66/35/05/400663505.db2.gz LCZQWNLHOSYLJU-INIZCTEOSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCCN(C)C(=O)CSCc1cn2cc(C)ccc2n1 ZINC000076650606 400665101 /nfs/dbraw/zinc/66/51/01/400665101.db2.gz ZPZVVJLXMAHDPN-UHFFFAOYSA-N 0 0 317.458 3.301 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 ZINC000076650336 400665416 /nfs/dbraw/zinc/66/54/16/400665416.db2.gz LSIQCNNLVHPSBE-GOSISDBHSA-N 0 0 316.445 3.315 10 30 DGEERN COCc1cncc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000613188391 400669830 /nfs/dbraw/zinc/66/98/30/400669830.db2.gz VYPSEXASCIHLJY-KRWDZBQOSA-N 0 0 309.369 3.003 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1CCC(F)(F)CC1 ZINC000618733862 400677736 /nfs/dbraw/zinc/67/77/36/400677736.db2.gz ORADKWPQHCVXOC-HNNXBMFYSA-N 0 0 304.340 3.487 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000076944933 400681882 /nfs/dbraw/zinc/68/18/82/400681882.db2.gz HTGAIASYYRQMKJ-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(SC)c1C ZINC000613260160 400684276 /nfs/dbraw/zinc/68/42/76/400684276.db2.gz NDSKQGRBKPEMLB-AWEZNQCLSA-N 0 0 306.431 3.126 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000618768949 400684650 /nfs/dbraw/zinc/68/46/50/400684650.db2.gz CLUDVRWKBNMPNO-QGZVFWFLSA-N 0 0 303.377 3.494 10 30 DGEERN COC(=O)[C@H](NCc1ccc(C#N)cc1F)c1ccccc1C ZINC000613456290 400725112 /nfs/dbraw/zinc/72/51/12/400725112.db2.gz BUAGHOXDYCZOJX-QGZVFWFLSA-N 0 0 312.344 3.010 10 30 DGEERN N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cscn3)no2)cc1 ZINC000618956488 400726353 /nfs/dbraw/zinc/72/63/53/400726353.db2.gz USOULQRJNKNNTF-CQSZACIVSA-N 0 0 323.381 3.406 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCSC ZINC000077621368 400731617 /nfs/dbraw/zinc/73/16/17/400731617.db2.gz NLDZOWFWDARTSB-UHFFFAOYSA-N 0 0 323.418 3.046 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000077861494 400752298 /nfs/dbraw/zinc/75/22/98/400752298.db2.gz LULUGGLYPRMODA-UHFFFAOYSA-N 0 0 315.200 3.357 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Cc1ccncc1Cl ZINC000613330037 400699019 /nfs/dbraw/zinc/69/90/19/400699019.db2.gz MAMAEQFKKNMJRN-UHFFFAOYSA-N 0 0 304.777 3.128 10 30 DGEERN C=CCC[C@H](C(=O)NC[C@@H](CC)C(=O)OC)c1ccccc1 ZINC000592853458 400709144 /nfs/dbraw/zinc/70/91/44/400709144.db2.gz KOQZBVNLLAURQT-ZBFHGGJFSA-N 0 0 303.402 3.052 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccco2)c(F)c1 ZINC000172185214 400814786 /nfs/dbraw/zinc/81/47/86/400814786.db2.gz XLHOFRSSVTWZHP-HNNXBMFYSA-N 0 0 313.332 3.337 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000613583507 400756731 /nfs/dbraw/zinc/75/67/31/400756731.db2.gz RYZMCRBTFPYISB-IKGGRYGDSA-N 0 0 308.466 3.178 10 30 DGEERN C=C(Cl)CNc1ccc(N)cc1I ZINC000168167556 400757147 /nfs/dbraw/zinc/75/71/47/400757147.db2.gz GJLIWDQJSIWTHO-UHFFFAOYSA-N 0 0 308.550 3.038 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)C1CC1 ZINC000604488275 400780284 /nfs/dbraw/zinc/78/02/84/400780284.db2.gz NELPPBHCVLJAFQ-ZDUSSCGKSA-N 0 0 317.389 3.339 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000053475833 400787448 /nfs/dbraw/zinc/78/74/48/400787448.db2.gz BNWSBZFAQVROGX-UHFFFAOYSA-N 0 0 318.376 3.357 10 30 DGEERN C=CCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OC ZINC000053637261 400794304 /nfs/dbraw/zinc/79/43/04/400794304.db2.gz JTRVXKUXEPXVSW-UHFFFAOYSA-N 0 0 315.369 3.434 10 30 DGEERN C=CCCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000619216449 400802465 /nfs/dbraw/zinc/80/24/65/400802465.db2.gz OLMXGJWJUSALMD-OAHLLOKOSA-N 0 0 318.417 3.192 10 30 DGEERN CC(=O)c1cc(C(=O)NCC2(C#N)CCCCC2)c(C)nc1C ZINC000619219450 400803484 /nfs/dbraw/zinc/80/34/84/400803484.db2.gz YCMHBVJJGMYPMK-UHFFFAOYSA-N 0 0 313.401 3.105 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000613860804 400803517 /nfs/dbraw/zinc/80/35/17/400803517.db2.gz HYIIYUBBZCXTAU-KRWDZBQOSA-N 0 0 320.477 3.420 10 30 DGEERN Cc1cccc2c1CCN2C(=O)NCCOc1ccc(C#N)cc1 ZINC000175981311 400869577 /nfs/dbraw/zinc/86/95/77/400869577.db2.gz SVIXYVCRPHLWQP-UHFFFAOYSA-N 0 0 321.380 3.018 10 30 DGEERN CN(C(=O)c1ccc2c(c1)nc(C(F)F)n2C)C1(C#N)CCC1 ZINC000619598373 400872171 /nfs/dbraw/zinc/87/21/71/400872171.db2.gz QLRNCRMTQXFZMB-UHFFFAOYSA-N 0 0 318.327 3.029 10 30 DGEERN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055547895 400876729 /nfs/dbraw/zinc/87/67/29/400876729.db2.gz JHVYDXJPFRSREL-UHFFFAOYSA-N 0 0 322.773 3.021 10 30 DGEERN Cc1csc([C@H](C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000179829365 400881022 /nfs/dbraw/zinc/88/10/22/400881022.db2.gz SYKIHNLYONFFTQ-CQSZACIVSA-N 0 0 307.378 3.497 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000614133227 400841677 /nfs/dbraw/zinc/84/16/77/400841677.db2.gz MTAHRZOIASJODB-AWEZNQCLSA-N 0 0 312.413 3.121 10 30 DGEERN C=CCSc1ccccc1C(=O)NCC1CCC(O)CC1 ZINC000619411573 400841841 /nfs/dbraw/zinc/84/18/41/400841841.db2.gz HQXSPKMAOAXFAG-UHFFFAOYSA-N 0 0 305.443 3.246 10 30 DGEERN COCc1csc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180881565 400885874 /nfs/dbraw/zinc/88/58/74/400885874.db2.gz BBABTHMEPMYFJV-UHFFFAOYSA-N 0 0 313.382 3.097 10 30 DGEERN C=CCOc1ccc(CNCC2(C#N)CCCC2)cc1OC ZINC000593652356 400886161 /nfs/dbraw/zinc/88/61/61/400886161.db2.gz DSJRYFWNOUOCFT-UHFFFAOYSA-N 0 0 300.402 3.434 10 30 DGEERN N#CC[C@@H](CC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000619434920 400848045 /nfs/dbraw/zinc/84/80/45/400848045.db2.gz MWFMIUORISHILI-INIZCTEOSA-N 0 0 321.355 3.401 10 30 DGEERN C=CCn1c(C)cc(C(=O)CSCc2cnn(C)c2)c1C ZINC000593437955 400849462 /nfs/dbraw/zinc/84/94/62/400849462.db2.gz LCCAZNQEKXOHNQ-UHFFFAOYSA-N 0 0 303.431 3.141 10 30 DGEERN N#Cc1cccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000055198454 400858200 /nfs/dbraw/zinc/85/82/00/400858200.db2.gz PHDXSEGNBJIICE-MOPGFXCFSA-N 0 0 320.392 3.342 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C)COCc1ccccc1 ZINC000605882551 400887203 /nfs/dbraw/zinc/88/72/03/400887203.db2.gz PYHYOACYWVGMTL-INIZCTEOSA-N 0 0 304.434 3.447 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N(C)Cc1nccn1C(F)F ZINC000633421667 400947213 /nfs/dbraw/zinc/94/72/13/400947213.db2.gz JZTJFXQCAKWEKB-UHFFFAOYSA-N 0 0 314.380 3.412 10 30 DGEERN C=C[C@H](NCc1ccc(-c2cccc(OC)c2)cc1)C(=O)OC ZINC000619702645 400890716 /nfs/dbraw/zinc/89/07/16/400890716.db2.gz PHRHYORAWSCVQK-SFHVURJKSA-N 0 0 311.381 3.179 10 30 DGEERN Cc1cc(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)s1 ZINC000182009237 400891410 /nfs/dbraw/zinc/89/14/10/400891410.db2.gz LHOJRUOHJIHRLK-QMTHXVAHSA-N 0 0 312.460 3.116 10 30 DGEERN C[C@@H](C#N)CNC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000182750164 400897767 /nfs/dbraw/zinc/89/77/67/400897767.db2.gz ILXORYYNERLYHT-GWCFXTLKSA-N 0 0 307.781 3.013 10 30 DGEERN C=C(C)CN(CC)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000184824528 400903891 /nfs/dbraw/zinc/90/38/91/400903891.db2.gz FQXKNTVJCKPCBP-UHFFFAOYSA-N 0 0 312.417 3.479 10 30 DGEERN CCc1cnccc1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000184961743 400904811 /nfs/dbraw/zinc/90/48/11/400904811.db2.gz YXBMVRATIHQOQR-IBGZPJMESA-N 0 0 307.397 3.289 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(N(C)CC3(CO)CC3)c2c1 ZINC000619792835 400907383 /nfs/dbraw/zinc/90/73/83/400907383.db2.gz GEZGAKTZGXYCOD-UHFFFAOYSA-N 0 0 315.804 3.277 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000079989802 400911783 /nfs/dbraw/zinc/91/17/83/400911783.db2.gz RYMUCSFAMJKFDC-LJQANCHMSA-N 0 0 315.413 3.284 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@@H](C)c2ccccc2F)nn1 ZINC000593935999 400922421 /nfs/dbraw/zinc/92/24/21/400922421.db2.gz NKVUOFBBWDJWMI-LAJNKCICSA-N 0 0 307.394 3.003 10 30 DGEERN C=CCCn1cc(C[S@](=O)Cc2ccccc2C2CC2)nn1 ZINC000593939147 400922687 /nfs/dbraw/zinc/92/26/87/400922687.db2.gz CCYUDWFBZHKBNP-JOCHJYFZSA-N 0 0 315.442 3.181 10 30 DGEERN C=CC[C@@H](C(=O)Nc1ccc(C(=O)OC)nc1)c1ccccc1 ZINC000614638228 400924227 /nfs/dbraw/zinc/92/42/27/400924227.db2.gz VSMGVJFVJSNPFE-OAHLLOKOSA-N 0 0 310.353 3.167 10 30 DGEERN C=CCCn1cc(CN(CC(C)C)c2ccc(C#N)cc2)nn1 ZINC000593961937 400928317 /nfs/dbraw/zinc/92/83/17/400928317.db2.gz QPFCEYYXRHQPMZ-UHFFFAOYSA-N 0 0 309.417 3.388 10 30 DGEERN CC(=O)c1ccc(OCCCOc2ccc(C#N)cc2)cc1O ZINC000221988451 400954030 /nfs/dbraw/zinc/95/40/30/400954030.db2.gz BXGOYQCCWSPZTP-UHFFFAOYSA-N 0 0 311.337 3.314 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000593966338 400929748 /nfs/dbraw/zinc/92/97/48/400929748.db2.gz AVOFMRLHZIPRJJ-GFCCVEGCSA-N 0 0 310.319 3.314 10 30 DGEERN Cc1csc2c1nc(Cl)n(Cc1ccccc1C#N)c2=O ZINC000198422943 400932626 /nfs/dbraw/zinc/93/26/26/400932626.db2.gz OBYWQERKUSBXNW-UHFFFAOYSA-N 0 0 315.785 3.340 10 30 DGEERN C[C@H](NC(=O)C(=O)CC(=O)C=Cc1ccccc1)c1ccccc1 ZINC000198720589 400935380 /nfs/dbraw/zinc/93/53/80/400935380.db2.gz VMEMGVIKDRKLDH-LHNRBYRGSA-N 0 0 321.376 3.106 10 30 DGEERN C=CCCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594131325 400998249 /nfs/dbraw/zinc/99/82/49/400998249.db2.gz OUCXTMSPGGBSFE-HZSPNIEDSA-N 0 0 309.450 3.461 10 30 DGEERN Cc1cs/c(=N/N=Cc2ccc(O)cc2)n1Cc1ccco1 ZINC000245284423 401004855 /nfs/dbraw/zinc/00/48/55/401004855.db2.gz RTJXYOVVCJGXCS-AZACUAFWSA-N 0 0 313.382 3.140 10 30 DGEERN C=CCCCCCNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000633586212 401012446 /nfs/dbraw/zinc/01/24/46/401012446.db2.gz KCMIWMYTDXYJJR-NSHDSACASA-N 0 0 303.328 3.326 10 30 DGEERN CC(=O)N(c1ccc(NC(=O)CCCCC#N)cc1)[C@H]1C[C@H]1C ZINC000594038369 400957438 /nfs/dbraw/zinc/95/74/38/400957438.db2.gz ABNWKXNEFAVTDX-DYVFJYSZSA-N 0 0 313.401 3.470 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@H](C(C)C)C2CC2)c(OC)c1 ZINC000620033045 400959094 /nfs/dbraw/zinc/95/90/94/400959094.db2.gz HXSWKQVKZKOABC-LJQANCHMSA-N 0 0 317.429 3.353 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000614892512 400961467 /nfs/dbraw/zinc/96/14/67/400961467.db2.gz NYKSINGISRWLKS-BMFZPTHFSA-N 0 0 308.466 3.131 10 30 DGEERN COc1cc(NCc2ccnc(C#N)c2)ccc1Br ZINC000227751761 400963820 /nfs/dbraw/zinc/96/38/20/400963820.db2.gz KVNBEPILOGNLHJ-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H]1CC(C)(C)C ZINC000624847990 400968988 /nfs/dbraw/zinc/96/89/88/400968988.db2.gz VCSMLXNVHZOGCH-CQSZACIVSA-N 0 0 314.437 3.259 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C)(CC(C)C)CC1 ZINC000614936095 400969036 /nfs/dbraw/zinc/96/90/36/400969036.db2.gz WXFIHFGFZKEOKT-MRXNPFEDSA-N 0 0 308.466 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn2c1CCCC2 ZINC000633605677 401020993 /nfs/dbraw/zinc/02/09/93/401020993.db2.gz VESHQIHEGQJGNY-GDBMZVCRSA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OCc1ccncc1 ZINC000633605465 401021005 /nfs/dbraw/zinc/02/10/05/401021005.db2.gz 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315.413 3.283 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cccc(Nc3ncccn3)c2)C1 ZINC000628485128 401606376 /nfs/dbraw/zinc/60/63/76/401606376.db2.gz CSAAMYLBUJXYOD-AWEZNQCLSA-N 0 0 308.385 3.258 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C1 ZINC000628484347 401606426 /nfs/dbraw/zinc/60/64/26/401606426.db2.gz KYWSHXCFZSZUJS-AWEZNQCLSA-N 0 0 312.417 3.359 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000628484900 401606458 /nfs/dbraw/zinc/60/64/58/401606458.db2.gz XERZYXOCIXHENU-GFCCVEGCSA-N 0 0 321.804 3.078 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000628485920 401606637 /nfs/dbraw/zinc/60/66/37/401606637.db2.gz WYUXTVANBVBHCH-MRXNPFEDSA-N 0 0 309.413 3.278 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000628486212 401606662 /nfs/dbraw/zinc/60/66/62/401606662.db2.gz DEVVMLOVHAFDGS-GJZGRUSLSA-N 0 0 301.386 3.081 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2nc(SC)n3ccccc23)C1 ZINC000628486201 401606797 /nfs/dbraw/zinc/60/67/97/401606797.db2.gz CXELARXMPCZBQF-GFCCVEGCSA-N 0 0 301.415 3.094 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000628486630 401606896 /nfs/dbraw/zinc/60/68/96/401606896.db2.gz MXPHPMHCGRCAPC-SNVBAGLBSA-N 0 0 321.471 3.462 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)C1 ZINC000628489218 401606994 /nfs/dbraw/zinc/60/69/94/401606994.db2.gz RLYPJYSRSXWJHJ-ZDUSSCGKSA-N 0 0 311.385 3.124 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(C(=O)N(CC)CC)cc2)C1 ZINC000628488121 401607083 /nfs/dbraw/zinc/60/70/83/401607083.db2.gz SAPGDSGOIJJQGJ-OAHLLOKOSA-N 0 0 314.429 3.207 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)C1 ZINC000628490404 401607223 /nfs/dbraw/zinc/60/72/23/401607223.db2.gz XOHGFVAPCWODRW-CQSZACIVSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000628489801 401607328 /nfs/dbraw/zinc/60/73/28/401607328.db2.gz HNSZCVXYZXWSTI-JTQLQIEISA-N 0 0 310.191 3.193 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C1 ZINC000628489440 401607378 /nfs/dbraw/zinc/60/73/78/401607378.db2.gz WNTZKWABKVLFPG-GFCCVEGCSA-N 0 0 317.339 3.189 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc(OC3CC3)cc2OC)C1 ZINC000628490704 401607498 /nfs/dbraw/zinc/60/74/98/401607498.db2.gz FBVUOXXEEBUKRB-ZDUSSCGKSA-N 0 0 301.386 3.275 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000628491432 401607503 /nfs/dbraw/zinc/60/75/03/401607503.db2.gz YKFOWLJNDBNYLT-CYBMUJFWSA-N 0 0 311.360 3.321 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2cscc2Br)C1 ZINC000628492017 401607529 /nfs/dbraw/zinc/60/75/29/401607529.db2.gz MJTZJBQNLIDAOV-SNVBAGLBSA-N 0 0 314.248 3.478 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)Cc2cnc3ccccc3n2)C1 ZINC000628493167 401607585 /nfs/dbraw/zinc/60/75/85/401607585.db2.gz KOSXPGYMBUFEKL-GJZGRUSLSA-N 0 0 309.413 3.233 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)C1 ZINC000628492609 401607593 /nfs/dbraw/zinc/60/75/93/401607593.db2.gz YBMKHZPTEPYIJI-KGLIPLIRSA-N 0 0 320.458 3.384 10 30 DGEERN C=CC[C@H]1CCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000628492390 401607739 /nfs/dbraw/zinc/60/77/39/401607739.db2.gz TUUUBBNKWUOABE-RDJZCZTQSA-N 0 0 309.413 3.356 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(C4CC4)c3c2)C1 ZINC000628492919 401607810 /nfs/dbraw/zinc/60/78/10/401607810.db2.gz FVUGVTSPLAMPOH-GFCCVEGCSA-N 0 0 311.385 3.115 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@H](C)CC(=O)c2ccc(OC)cc2)C1 ZINC000628490664 401607853 /nfs/dbraw/zinc/60/78/53/401607853.db2.gz DFAXGJXTKBTVAU-CABCVRRESA-N 0 0 315.413 3.329 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 ZINC000628493527 401607943 /nfs/dbraw/zinc/60/79/43/401607943.db2.gz ROSHPZPHNKTBGC-OAHLLOKOSA-N 0 0 307.397 3.490 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)C1 ZINC000628494784 401608137 /nfs/dbraw/zinc/60/81/37/401608137.db2.gz YXPLLKQBXJAZTN-DLBZAZTESA-N 0 0 316.445 3.495 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C[C@@H]2CSc3ccccc3O2)C1 ZINC000628493244 401608166 /nfs/dbraw/zinc/60/81/66/401608166.db2.gz MAMIJPURIVDQTA-ZIAGYGMSSA-N 0 0 303.427 3.354 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cncc(Br)c2C)C1 ZINC000628493459 401608352 /nfs/dbraw/zinc/60/83/52/401608352.db2.gz QHQSWLLZCDSWJZ-NSHDSACASA-N 0 0 309.207 3.191 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccn(CCc3ccccc3)n2)C1 ZINC000628493387 401608384 /nfs/dbraw/zinc/60/83/84/401608384.db2.gz PDQNIWONWIWBIS-KRWDZBQOSA-N 0 0 309.413 3.164 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H]2CCOc3ccc(OCC)cc32)C1 ZINC000632548748 401613692 /nfs/dbraw/zinc/61/36/92/401613692.db2.gz VTMBKAMRRHLITI-HNNXBMFYSA-N 0 0 301.386 3.381 10 30 DGEERN C=CCCC(C)(C)CNS(=O)(=O)Cc1noc2ccccc12 ZINC000632641024 401617915 /nfs/dbraw/zinc/61/79/15/401617915.db2.gz OHBVNORKBYGEFU-UHFFFAOYSA-N 0 0 322.430 3.240 10 30 DGEERN C=CCCN(C)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632703021 401620450 /nfs/dbraw/zinc/62/04/50/401620450.db2.gz LSVMHERSVHIGEF-QLFBSQMISA-N 0 0 320.230 3.369 10 30 DGEERN C=C1CC(C)(C(=O)N2CCN(c3ccccc3F)C[C@H]2C)C1 ZINC000632729649 401622018 /nfs/dbraw/zinc/62/20/18/401622018.db2.gz IYGFBCQVTAPKCX-CQSZACIVSA-N 0 0 302.393 3.219 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)C1 ZINC000633160548 401655401 /nfs/dbraw/zinc/65/54/01/401655401.db2.gz VHCHAYFWMGGHLB-FQEVSTJZSA-N 0 0 313.441 3.187 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1 ZINC000624368813 401656101 /nfs/dbraw/zinc/65/61/01/401656101.db2.gz YMCGKTWLBXDHDL-SZMVWBNQSA-N 0 0 314.429 3.167 10 30 DGEERN C=CCOc1ccc(CC(=O)NCC(=O)C2(C)CCCC2)cc1 ZINC000629004998 401656208 /nfs/dbraw/zinc/65/62/08/401656208.db2.gz RADHRJBPQXBMTE-UHFFFAOYSA-N 0 0 315.413 3.060 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCO[C@@H](CCF)C1)c1ccccc1 ZINC000629014516 401656777 /nfs/dbraw/zinc/65/67/77/401656777.db2.gz MNUHTWVGHSWJGV-DLBZAZTESA-N 0 0 305.393 3.323 10 30 DGEERN CC#CCNC(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000633141377 401653557 /nfs/dbraw/zinc/65/35/57/401653557.db2.gz KIHWEACQNIUGRA-GOSISDBHSA-N 0 0 307.397 3.078 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1 ZINC000624439118 401660014 /nfs/dbraw/zinc/66/00/14/401660014.db2.gz DGIREPSVMCJNTK-JTQLQIEISA-N 0 0 314.307 3.129 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCOc2cc(OC)ccc2C1 ZINC000624463772 401662700 /nfs/dbraw/zinc/66/27/00/401662700.db2.gz XJMFIKUHVVRGJF-UHFFFAOYSA-N 0 0 318.417 3.202 10 30 DGEERN C=C(CC)CNC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633286365 401669866 /nfs/dbraw/zinc/66/98/66/401669866.db2.gz MKNBMHQMJIJGHQ-ZDUSSCGKSA-N 0 0 316.323 3.004 10 30 DGEERN C=CCC1(NC(=O)CCc2nnc(C(F)F)o2)CCCCC1 ZINC000633332535 401673109 /nfs/dbraw/zinc/67/31/09/401673109.db2.gz MLTWVFMIFXMBDW-UHFFFAOYSA-N 0 0 313.348 3.335 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000633357620 401675878 /nfs/dbraw/zinc/67/58/78/401675878.db2.gz QNLTYWAYRCFVHN-ROUUACIJSA-N 0 0 316.445 3.189 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnnc2C)C12CCCC2 ZINC000330167610 286245044 /nfs/dbraw/zinc/24/50/44/286245044.db2.gz ZDVGPTRHYFEEFO-HUUCEWRRSA-N 0 0 318.421 3.000 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC1CCCCC1 ZINC000078371040 164562083 /nfs/dbraw/zinc/56/20/83/164562083.db2.gz SLFIZMIAKZRKEM-AWEZNQCLSA-N 0 0 300.402 3.364 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc(C#N)cc1 ZINC000171710387 164637081 /nfs/dbraw/zinc/63/70/81/164637081.db2.gz BZFUNDWCSUAOGU-QGZVFWFLSA-N 0 0 315.417 3.049 10 30 DGEERN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176192541 164775747 /nfs/dbraw/zinc/77/57/47/164775747.db2.gz GYLZOHSSNREMIB-LRDDRELGSA-N 0 0 311.360 3.259 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000176494596 164784641 /nfs/dbraw/zinc/78/46/41/164784641.db2.gz HQSYEFJZTKEZJI-CYBMUJFWSA-N 0 0 316.364 3.439 10 30 DGEERN N#Cc1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1 ZINC000185586225 165008934 /nfs/dbraw/zinc/00/89/34/165008934.db2.gz UPYKYNHKKDEIPW-UHFFFAOYSA-N 0 0 305.362 3.448 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000185646577 165011267 /nfs/dbraw/zinc/01/12/67/165011267.db2.gz NYJBEDVLAUKGSR-MRXNPFEDSA-N 0 0 302.761 3.378 10 30 DGEERN Cc1ccc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000185900371 165021208 /nfs/dbraw/zinc/02/12/08/165021208.db2.gz VDUJQUGPLMXPQD-UHFFFAOYSA-N 0 0 318.340 3.091 10 30 DGEERN N#Cc1ccc(C2(C(=O)NC[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000186817462 165062265 /nfs/dbraw/zinc/06/22/65/165062265.db2.gz BVZARILIYAWMFU-KRWDZBQOSA-N 0 0 316.404 3.436 10 30 DGEERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)cc1C#N ZINC000187116826 165076827 /nfs/dbraw/zinc/07/68/27/165076827.db2.gz NLOGSEPKMJTPCQ-LLVKDONJSA-N 0 0 308.809 3.374 10 30 DGEERN C[C@H](CCc1cccn1C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187427079 165090416 /nfs/dbraw/zinc/09/04/16/165090416.db2.gz MUISRNJHRVTDRD-OAHLLOKOSA-N 0 0 321.424 3.066 10 30 DGEERN Cc1cnc([C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)s1 ZINC000188158207 165114722 /nfs/dbraw/zinc/11/47/22/165114722.db2.gz VLXAMTFKVSOYGR-GFCCVEGCSA-N 0 0 311.410 3.232 10 30 DGEERN CCCOc1nc(C)ccc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000188159918 165115431 /nfs/dbraw/zinc/11/54/31/165115431.db2.gz JYSBFIZSUSUZSA-UHFFFAOYSA-N 0 0 323.396 3.323 10 30 DGEERN CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(C#N)cn3C)cc2O1 ZINC000188645391 165130366 /nfs/dbraw/zinc/13/03/66/165130366.db2.gz XLJJCSXNYJNPAR-KRWDZBQOSA-N 0 0 311.341 3.046 10 30 DGEERN Cc1noc(C)c1[C@@H](C)CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188873978 165141027 /nfs/dbraw/zinc/14/10/27/165141027.db2.gz BTTUDCLYMIEERK-LBPRGKRZSA-N 0 0 323.396 3.115 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(F)cc1C#N ZINC000188963188 165143545 /nfs/dbraw/zinc/14/35/45/165143545.db2.gz WGGADWUSIJLLQE-UHFFFAOYSA-N 0 0 301.321 3.445 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCc4ccc(F)cc43)CC2)cc1 ZINC000189131852 165149577 /nfs/dbraw/zinc/14/95/77/165149577.db2.gz ODHKTOQPFAYEDO-UHFFFAOYSA-N 0 0 306.340 3.318 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189114707 165150919 /nfs/dbraw/zinc/15/09/19/165150919.db2.gz FFUNBVQOKOPPME-UHFFFAOYSA-N 0 0 301.349 3.409 10 30 DGEERN C[C@H](C1CC1)n1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cn1 ZINC000189197689 165154923 /nfs/dbraw/zinc/15/49/23/165154923.db2.gz KMVRDORPYKHYFS-CYBMUJFWSA-N 0 0 320.396 3.396 10 30 DGEERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc(F)c1C#N ZINC000189586638 165167480 /nfs/dbraw/zinc/16/74/80/165167480.db2.gz WPALMBPAFSIKDB-MRXNPFEDSA-N 0 0 310.328 3.259 10 30 DGEERN COC(=O)c1sc(C)cc1OCc1ccc(C#N)c(F)c1 ZINC000190084959 165188090 /nfs/dbraw/zinc/18/80/90/165188090.db2.gz CTARWHQDUIQBPI-UHFFFAOYSA-N 0 0 305.330 3.433 10 30 DGEERN CC(C)NC(=O)c1ccccc1NCc1ccc(C#N)c(F)c1 ZINC000190339036 165198537 /nfs/dbraw/zinc/19/85/37/165198537.db2.gz JSCISKNJPHKSKO-UHFFFAOYSA-N 0 0 311.360 3.448 10 30 DGEERN COc1cccc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)c1 ZINC000190755786 165215746 /nfs/dbraw/zinc/21/57/46/165215746.db2.gz YBIGXOHQBAFEBH-OAQYLSRUSA-N 0 0 303.358 3.155 10 30 DGEERN N#Cc1cccc(CNC(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000190945058 165221863 /nfs/dbraw/zinc/22/18/63/165221863.db2.gz NICGMLHFMSBGTL-UHFFFAOYSA-N 0 0 305.381 3.435 10 30 DGEERN CCn1c(SCc2ccc(C#N)c(F)c2)nnc1C1CC1 ZINC000190976508 165223975 /nfs/dbraw/zinc/22/39/75/165223975.db2.gz XFALIEGJGKTIAR-UHFFFAOYSA-N 0 0 302.378 3.478 10 30 DGEERN N#Cc1c[nH]c(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000191490219 165255398 /nfs/dbraw/zinc/25/53/98/165255398.db2.gz FJBYKDWDGQEXKC-GFCCVEGCSA-N 0 0 315.323 3.184 10 30 DGEERN Cc1ccc([C@@H]2CN(Cc3ccc(C#N)c(F)c3)CCO2)o1 ZINC000192130467 165283871 /nfs/dbraw/zinc/28/38/71/165283871.db2.gz IAAOHQVUOMDRNU-KRWDZBQOSA-N 0 0 300.333 3.172 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ccn1 ZINC000192499932 165295163 /nfs/dbraw/zinc/29/51/63/165295163.db2.gz FRFZNJSWAOKDPG-UHFFFAOYSA-N 0 0 307.231 3.104 10 30 DGEERN N#Cc1cc(F)c(CNc2nnc(C(F)(F)F)s2)c(F)c1 ZINC000192748553 165304391 /nfs/dbraw/zinc/30/43/91/165304391.db2.gz OEBHQOCGHRAFJP-UHFFFAOYSA-N 0 0 320.246 3.319 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(Br)ccc2F)ccn1 ZINC000192822459 165308470 /nfs/dbraw/zinc/30/84/70/165308470.db2.gz LWRHSZABZGKRCK-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000192884613 165309636 /nfs/dbraw/zinc/30/96/36/165309636.db2.gz CNLGWYDTGLKPQS-VIFPVBQESA-N 0 0 303.724 3.237 10 30 DGEERN CCOC(=O)[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000192945414 165312403 /nfs/dbraw/zinc/31/24/03/165312403.db2.gz SMVAOZBDLYQIJF-OAHLLOKOSA-N 0 0 318.760 3.199 10 30 DGEERN CC(C)(Cc1ccccc1Cl)NC(=O)c1ccnc(C#N)c1 ZINC000193148108 165318250 /nfs/dbraw/zinc/31/82/50/165318250.db2.gz WADQPKKFGCTVTL-UHFFFAOYSA-N 0 0 313.788 3.358 10 30 DGEERN CC[C@H](CSc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193669076 165328403 /nfs/dbraw/zinc/32/84/03/165328403.db2.gz IDZTVRYYAPIBSQ-CQSZACIVSA-N 0 0 311.410 3.254 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)ccn1 ZINC000193589578 165328605 /nfs/dbraw/zinc/32/86/05/165328605.db2.gz SFOULLWCEMQAQV-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN CC[C@@H](CSc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193669059 165329011 /nfs/dbraw/zinc/32/90/11/165329011.db2.gz IDZTVRYYAPIBSQ-AWEZNQCLSA-N 0 0 311.410 3.254 10 30 DGEERN CCOc1ccc(NC(=O)c2ccnc(C#N)c2)c2ncccc12 ZINC000193832268 165333752 /nfs/dbraw/zinc/33/37/52/165333752.db2.gz PZXHNOQLOHNVOY-UHFFFAOYSA-N 0 0 318.336 3.152 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246493697 165522855 /nfs/dbraw/zinc/52/28/55/165522855.db2.gz KAUPXYYYMAXQIU-JVAPAWGVSA-N 0 0 322.408 3.035 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000129081063 196017451 /nfs/dbraw/zinc/01/74/51/196017451.db2.gz JIYXFGUVYNXLGO-IRXDYDNUSA-N 0 0 310.397 3.231 10 30 DGEERN N#C[C@H](NC(=O)COc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000171725874 432165762 /nfs/dbraw/zinc/16/57/62/432165762.db2.gz OCCKDIDPBXPVDZ-INIZCTEOSA-N 0 0 320.348 3.383 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269594910 432185546 /nfs/dbraw/zinc/18/55/46/432185546.db2.gz DNYYZMHSWPQRJN-CQSZACIVSA-N 0 0 312.413 3.449 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1cc(-n2cccn2)ccc1C ZINC000190888297 432197393 /nfs/dbraw/zinc/19/73/93/432197393.db2.gz NALJCXIMERNXEU-UHFFFAOYSA-N 0 0 312.417 3.017 10 30 DGEERN CCCN(C(=O)c1ccc(C#N)cc1C)[C@@H](CC)C(=O)OCC ZINC000190923933 432202250 /nfs/dbraw/zinc/20/22/50/432202250.db2.gz BXOMADUBBLNNBH-INIZCTEOSA-N 0 0 316.401 3.061 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172435617 432214139 /nfs/dbraw/zinc/21/41/39/432214139.db2.gz JTQJGPMGJQSNBG-LLVKDONJSA-N 0 0 323.234 3.481 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000191130896 432225719 /nfs/dbraw/zinc/22/57/19/432225719.db2.gz KVIUISSVAZRXEJ-NSHDSACASA-N 0 0 314.788 3.384 10 30 DGEERN N#Cc1ccc(-c2nnc(CSC3CCOCC3)o2)cc1 ZINC000131573965 196180920 /nfs/dbraw/zinc/18/09/20/196180920.db2.gz OUIJQYBYEVWARA-UHFFFAOYSA-N 0 0 301.371 3.020 10 30 DGEERN C[C@H]1CC(CNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000296730130 226170717 /nfs/dbraw/zinc/17/07/17/226170717.db2.gz ILBVGJSRMJLQEW-UWVGGRQHSA-N 0 0 324.222 3.331 10 30 DGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCOC1 ZINC000066956208 226816042 /nfs/dbraw/zinc/81/60/42/226816042.db2.gz PXCSURXOPUITNB-CHWSQXEVSA-N 0 0 319.430 3.381 10 30 DGEERN CSCCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000068456717 226819208 /nfs/dbraw/zinc/81/92/08/226819208.db2.gz DSBSUNQQVVYIQT-LLVKDONJSA-N 0 0 303.214 3.427 10 30 DGEERN Cc1cc(C(=O)N(CC#N)C2CCCC2)nn1-c1ccccc1 ZINC000125205173 226992714 /nfs/dbraw/zinc/99/27/14/226992714.db2.gz FORXSBVWDZHANJ-UHFFFAOYSA-N 0 0 308.385 3.089 10 30 DGEERN COc1ccc(-c2cncc(C(=O)NC3(C#N)CCCC3)c2)cc1 ZINC000135370353 227046177 /nfs/dbraw/zinc/04/61/77/227046177.db2.gz VRHQUMPPLDZFDJ-UHFFFAOYSA-N 0 0 321.380 3.323 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000184608806 335080666 /nfs/dbraw/zinc/08/06/66/335080666.db2.gz PIRHZSQHNYXVKV-RHSMWYFYSA-N 0 0 305.418 3.226 10 30 DGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccccc1F ZINC000156587748 227126827 /nfs/dbraw/zinc/12/68/27/227126827.db2.gz WAOWAXSKJMQUFQ-AATRIKPKSA-N 0 0 318.373 3.015 10 30 DGEERN Cc1csc([C@H]2CN(CC#Cc3ccc(F)cc3)CCO2)n1 ZINC000157941860 228235730 /nfs/dbraw/zinc/23/57/30/228235730.db2.gz HCBULLCEYVHCNB-MRXNPFEDSA-N 0 0 316.401 3.016 10 30 DGEERN C[C@H](NC(=O)C1(C#N)CCCC1)c1ccccc1-n1cccn1 ZINC000159712806 228242989 /nfs/dbraw/zinc/24/29/89/228242989.db2.gz QZANLYBOGFFZAV-AWEZNQCLSA-N 0 0 308.385 3.133 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000160442227 228246280 /nfs/dbraw/zinc/24/62/80/228246280.db2.gz JAOCSDJWQPUECN-UHFFFAOYSA-N 0 0 319.364 3.011 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000160306239 228246372 /nfs/dbraw/zinc/24/63/72/228246372.db2.gz PIBPFDVDRUIKBY-LBPRGKRZSA-N 0 0 308.337 3.086 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000160792126 228249178 /nfs/dbraw/zinc/24/91/78/228249178.db2.gz YVRIQRBNZFOSSW-UHFFFAOYSA-N 0 0 300.308 3.417 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000163171780 228260534 /nfs/dbraw/zinc/26/05/34/228260534.db2.gz DVXLYPMSOGKVIC-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN Cc1nc(-c2ccc(NC(=O)c3ccc(C#N)cc3C)cc2)n[nH]1 ZINC000164066457 228263202 /nfs/dbraw/zinc/26/32/02/228263202.db2.gz ZTKMVIOVHNMEIJ-UHFFFAOYSA-N 0 0 317.352 3.213 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000176648084 228317947 /nfs/dbraw/zinc/31/79/47/228317947.db2.gz JPSCYBKTLFLGLM-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000176694701 228318574 /nfs/dbraw/zinc/31/85/74/228318574.db2.gz JSBLDSHQOFIACL-UHFFFAOYSA-N 0 0 308.366 3.273 10 30 DGEERN COC(C)(C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000179512536 228351264 /nfs/dbraw/zinc/35/12/64/228351264.db2.gz HSYBDXZLIVLTNL-JTQLQIEISA-N 0 0 301.173 3.099 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)C1CC1 ZINC000179556299 228352325 /nfs/dbraw/zinc/35/23/25/228352325.db2.gz ZDLQYJNBERQNME-QGZVFWFLSA-N 0 0 322.364 3.003 10 30 DGEERN N#C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1O)C1CC1 ZINC000179556218 228352880 /nfs/dbraw/zinc/35/28/80/228352880.db2.gz UQSLRSAZNOJKSS-MRXNPFEDSA-N 0 0 308.337 3.216 10 30 DGEERN C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(O)c1 ZINC000180711506 228357439 /nfs/dbraw/zinc/35/74/39/228357439.db2.gz CAYWWTQCDKIPME-ZDUSSCGKSA-N 0 0 306.365 3.438 10 30 DGEERN C[C@@H](C#N)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000182144892 228365970 /nfs/dbraw/zinc/36/59/70/228365970.db2.gz NLAHBARLDSBXPU-AAEUAGOBSA-N 0 0 316.792 3.481 10 30 DGEERN COCCN(Cc1ccco1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182905429 228370537 /nfs/dbraw/zinc/37/05/37/228370537.db2.gz YZWTZZWBQGJHMM-UHFFFAOYSA-N 0 0 324.380 3.124 10 30 DGEERN Cc1ccc(C(=O)CCCC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000184070093 228379867 /nfs/dbraw/zinc/37/98/67/228379867.db2.gz NHAYGTBHMGGQDJ-UHFFFAOYSA-N 0 0 324.384 3.097 10 30 DGEERN Cc1nc(C(=O)Nc2ccn(CCC#N)n2)c(-c2ccccc2)o1 ZINC000184911985 228387135 /nfs/dbraw/zinc/38/71/35/228387135.db2.gz MBIVWFCRKFYPLF-UHFFFAOYSA-N 0 0 321.340 3.013 10 30 DGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(CC#N)c1 ZINC000189949277 228497724 /nfs/dbraw/zinc/49/77/24/228497724.db2.gz LNISDBISRPBZIZ-KRWDZBQOSA-N 0 0 306.365 3.315 10 30 DGEERN C[C@H](CC(=O)NCCCC#N)c1ccc(Br)cc1 ZINC000273075974 228692311 /nfs/dbraw/zinc/69/23/11/228692311.db2.gz WPOZIIZODSBVHO-LLVKDONJSA-N 0 0 309.207 3.363 10 30 DGEERN Cc1c(CC(=O)N[C@@H]2CCC[C@H]2C#N)nnn1-c1ccc(C)cc1 ZINC000330037698 228973411 /nfs/dbraw/zinc/97/34/11/228973411.db2.gz DLCWQWVWAAHMHL-GOEBONIOSA-N 0 0 323.400 3.075 10 30 DGEERN C[C@H](NC(=O)[C@H]1CCCOCC1)c1ccc2c(c1)OCCO2 ZINC000330114995 228977581 /nfs/dbraw/zinc/97/75/81/228977581.db2.gz FHGNVPRXNRQZHQ-STQMWFEESA-N 0 0 305.374 3.292 10 30 DGEERN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)[C@H]1CCC(=O)N1 ZINC000330253198 228984949 /nfs/dbraw/zinc/98/49/49/228984949.db2.gz IUQSSJSKLKABTG-KFWWJZLASA-N 0 0 302.374 3.200 10 30 DGEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(F)c1-c1nc[nH]n1 ZINC000330320327 228988088 /nfs/dbraw/zinc/98/80/88/228988088.db2.gz RQMAOYLCYVKMCK-VHSXEESVSA-N 0 0 304.325 3.014 10 30 DGEERN C[C@@]12CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333065430 229036416 /nfs/dbraw/zinc/03/64/16/229036416.db2.gz DYEYLDRZTZKMAR-WKEQQPHFSA-N 0 0 301.434 3.146 10 30 DGEERN C[C@@]12CN(C(=O)NCC3CCC(C#N)CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333216248 229037284 /nfs/dbraw/zinc/03/72/84/229037284.db2.gz LCUGEHJPWLMLEY-HRAWSGLBSA-N 0 0 315.461 3.394 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000334013406 229040634 /nfs/dbraw/zinc/04/06/34/229040634.db2.gz WZMZFRZCZJAVCH-HRCADAONSA-N 0 0 319.449 3.250 10 30 DGEERN COC(=O)[C@@H](NCCCCC#N)c1cc(Cl)cc(Cl)c1 ZINC000357509967 229349554 /nfs/dbraw/zinc/34/95/54/229349554.db2.gz NGZFFNVIAZAGGA-ZDUSSCGKSA-N 0 0 315.200 3.491 10 30 DGEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)cc1Br ZINC000408066819 229621957 /nfs/dbraw/zinc/62/19/57/229621957.db2.gz DGQQODVHSHOTBX-RISCZKNCSA-N 0 0 321.218 3.488 10 30 DGEERN Cc1cc(C)c2ncc(C#N)c(NCCCC(=O)NC3CC3)c2c1 ZINC000301346303 229641101 /nfs/dbraw/zinc/64/11/01/229641101.db2.gz HKZPDUHNOQYBGU-UHFFFAOYSA-N 0 0 322.412 3.194 10 30 DGEERN CO[C@@H](C)c1nc(CN(C)c2cccc(F)c2C#N)cs1 ZINC000301560686 229746837 /nfs/dbraw/zinc/74/68/37/229746837.db2.gz OPKGZWKRGKQYPU-JTQLQIEISA-N 0 0 305.378 3.498 10 30 DGEERN Cc1c(Nc2ccc(C#N)nn2)cnn1-c1cccc(Cl)c1 ZINC000301969032 230012642 /nfs/dbraw/zinc/01/26/42/230012642.db2.gz QBJMKMHGBLVKMX-UHFFFAOYSA-N 0 0 310.748 3.239 10 30 DGEERN Cc1cc(Nc2ccc(Cl)c(C#N)n2)ccc1OCCO ZINC000302186845 230151036 /nfs/dbraw/zinc/15/10/36/230151036.db2.gz PSNKLINTVYGUHK-UHFFFAOYSA-N 0 0 303.749 3.030 10 30 DGEERN Cc1ccc(OCCN(C)c2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000302191734 230152041 /nfs/dbraw/zinc/15/20/41/230152041.db2.gz BRWPYSSHALRHPM-UHFFFAOYSA-N 0 0 311.341 3.290 10 30 DGEERN N#Cc1cc(N(CCO)C2CCC2)nc2ccc(Cl)cc12 ZINC000302584097 230308063 /nfs/dbraw/zinc/30/80/63/230308063.db2.gz UTKYNBWANPMLIB-UHFFFAOYSA-N 0 0 301.777 3.111 10 30 DGEERN Cc1ccc(NC[C@@H](O)c2ccc(OC(C)C)cc2)nc1C#N ZINC000302591719 230312724 /nfs/dbraw/zinc/31/27/24/230312724.db2.gz AIMVEHZUKDDTOO-QGZVFWFLSA-N 0 0 311.385 3.194 10 30 DGEERN CS[C@@H](C)CCC(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000361886926 269807844 /nfs/dbraw/zinc/80/78/44/269807844.db2.gz AYXLCVDYAWIWTL-NSHDSACASA-N 0 0 303.431 3.302 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000187489884 263675736 /nfs/dbraw/zinc/67/57/36/263675736.db2.gz DHEPMRJCLTZTCR-CQSZACIVSA-N 0 0 322.330 3.391 10 30 DGEERN Cc1nccc(CNc2ccccc2Oc2ncccc2C#N)n1 ZINC000359598415 270004158 /nfs/dbraw/zinc/00/41/58/270004158.db2.gz MHYSDEMXAWTYES-UHFFFAOYSA-N 0 0 317.352 3.456 10 30 DGEERN N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000360410424 270004601 /nfs/dbraw/zinc/00/46/01/270004601.db2.gz HILJWHJJTYXKFI-HNNXBMFYSA-N 0 0 316.744 3.018 10 30 DGEERN COC(=O)c1cccc(CSC[C@H]2CCCOC2)c1C#N ZINC000533689087 270005213 /nfs/dbraw/zinc/00/52/13/270005213.db2.gz BIBYJHIFKOQSJM-LBPRGKRZSA-N 0 0 305.399 3.005 10 30 DGEERN COc1cccc2c1CCN(C(=O)c1ccc(C#N)cc1C)C2 ZINC000182805014 432230059 /nfs/dbraw/zinc/23/00/59/432230059.db2.gz PYTKSVASGCEMGN-UHFFFAOYSA-N 0 0 306.365 3.074 10 30 DGEERN Cc1ccc(-c2cc(NC(=O)Cc3cccc(C#N)c3)[nH]n2)o1 ZINC000519520724 424825084 /nfs/dbraw/zinc/82/50/84/424825084.db2.gz MMXJLKNMQUTJTN-UHFFFAOYSA-N 0 0 306.325 3.031 10 30 DGEERN CCCCO[C@H]1C[C@@H](NC(=O)Cc2cccc(C#N)c2)C1(C)C ZINC000530916787 267011754 /nfs/dbraw/zinc/01/17/54/267011754.db2.gz LVPLDUODUYTGCX-SJORKVTESA-N 0 0 314.429 3.201 10 30 DGEERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000172781273 267164396 /nfs/dbraw/zinc/16/43/96/267164396.db2.gz UZIDJGSVCLLVLG-CYBMUJFWSA-N 0 0 311.341 3.484 10 30 DGEERN CC[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000531154207 267191019 /nfs/dbraw/zinc/19/10/19/267191019.db2.gz YKDALQXJZQDHRV-GOSISDBHSA-N 0 0 308.381 3.377 10 30 DGEERN Cc1cc(NC[C@H](CO)C2CC2)n2c3ccccc3nc2c1C#N ZINC000357778523 267348531 /nfs/dbraw/zinc/34/85/31/267348531.db2.gz CWZAYKFWOFMHTJ-CQSZACIVSA-N 0 0 320.396 3.098 10 30 DGEERN COc1ccccc1C(C)(C)NC(=O)Cc1cccc(C#N)c1 ZINC000530913537 267655925 /nfs/dbraw/zinc/65/59/25/267655925.db2.gz WZNIUJMZFPIUDL-UHFFFAOYSA-N 0 0 308.381 3.161 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)[C@@H]1CCC(F)(F)C1)CCCC2 ZINC000361840882 268025040 /nfs/dbraw/zinc/02/50/40/268025040.db2.gz ZDVYXFOOPRBSRV-LLVKDONJSA-N 0 0 305.328 3.206 10 30 DGEERN N#Cc1cccc(CC(=O)NC2(c3nccs3)CCCC2)c1 ZINC000515951275 268273778 /nfs/dbraw/zinc/27/37/78/268273778.db2.gz CSBIHGWBPKCKHW-UHFFFAOYSA-N 0 0 311.410 3.143 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000530671998 268276212 /nfs/dbraw/zinc/27/62/12/268276212.db2.gz NMYWIQVXQKRRMK-UHFFFAOYSA-N 0 0 318.298 3.436 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000531455715 268276986 /nfs/dbraw/zinc/27/69/86/268276986.db2.gz UPWSFFXQBLGRBF-HNNXBMFYSA-N 0 0 310.319 3.338 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000531154354 268277676 /nfs/dbraw/zinc/27/76/76/268277676.db2.gz ICILQXQKFCVAMU-CJNGLKHVSA-N 0 0 312.319 3.051 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000531154350 268277944 /nfs/dbraw/zinc/27/79/44/268277944.db2.gz ICILQXQKFCVAMU-BBRMVZONSA-N 0 0 312.319 3.051 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000531145663 268278020 /nfs/dbraw/zinc/27/80/20/268278020.db2.gz SMNXJMCYBYZYAT-UHFFFAOYSA-N 0 0 320.327 3.064 10 30 DGEERN N#Cc1ccnc(NC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000357405321 268297054 /nfs/dbraw/zinc/29/70/54/268297054.db2.gz YIYWCUMNUVYAOO-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN N#Cc1cnccc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000372235174 271523749 /nfs/dbraw/zinc/52/37/49/271523749.db2.gz DTDKKTUGGUAZFC-CQSZACIVSA-N 0 0 309.344 3.192 10 30 DGEERN CCOc1c(F)cccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000173045643 432255225 /nfs/dbraw/zinc/25/52/25/432255225.db2.gz WOXVRZWVJQPGOY-UHFFFAOYSA-N 0 0 302.280 3.487 10 30 DGEERN C=CCOc1ccc(CNc2ccn([C@@H](C)COC)n2)cc1 ZINC000495197466 429186565 /nfs/dbraw/zinc/18/65/65/429186565.db2.gz XWKIYSZVUNYRKR-AWEZNQCLSA-N 0 0 301.390 3.267 10 30 DGEERN CC#CCNC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000466831768 275441686 /nfs/dbraw/zinc/44/16/86/275441686.db2.gz ARQKMQYEDDOEKT-UHFFFAOYSA-N 0 0 308.784 3.334 10 30 DGEERN CC(C)(C)[C@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1O ZINC000408195374 275533384 /nfs/dbraw/zinc/53/33/84/275533384.db2.gz OJPCXISTVPZDIX-RDJZCZTQSA-N 0 0 309.413 3.340 10 30 DGEERN C=CCCCCCNC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000517244462 429387152 /nfs/dbraw/zinc/38/71/52/429387152.db2.gz HQBJVFCITPDFMU-UHFFFAOYSA-N 0 0 313.405 3.194 10 30 DGEERN C=CCn1c(N2CC3(CCC3)C[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453434237 275749909 /nfs/dbraw/zinc/74/99/09/275749909.db2.gz DZNPKWVEGAFNSE-YOEHRIQHSA-N 0 0 316.449 3.259 10 30 DGEERN C=C[C@@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000362590831 275750272 /nfs/dbraw/zinc/75/02/72/275750272.db2.gz ZGGBNTLXKUELME-CHWSQXEVSA-N 0 0 317.389 3.135 10 30 DGEERN C=CC(C)(C)CCNc1ccc(C(=O)Nc2nncs2)cn1 ZINC000528076557 429844767 /nfs/dbraw/zinc/84/47/67/429844767.db2.gz ZKTHOBXCCNMZTO-UHFFFAOYSA-N 0 0 317.418 3.200 10 30 DGEERN CCc1nnc(C)cc1C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000330175454 276706336 /nfs/dbraw/zinc/70/63/36/276706336.db2.gz ZQTAHNPUWZBIBU-MRXNPFEDSA-N 0 0 311.385 3.435 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 ZINC000626304136 429948122 /nfs/dbraw/zinc/94/81/22/429948122.db2.gz FHTKPWFQZBAGCD-OAHLLOKOSA-N 0 0 310.401 3.361 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1nnc(C2CCOCC2)s1 ZINC000626574399 429951222 /nfs/dbraw/zinc/95/12/22/429951222.db2.gz YHHXCOTXHSENAD-UHFFFAOYSA-N 0 0 324.450 3.156 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)s1 ZINC000530276001 430109378 /nfs/dbraw/zinc/10/93/78/430109378.db2.gz JKUZOILKPBYSPJ-WDEREUQCSA-N 0 0 305.428 3.088 10 30 DGEERN C=CCN1CC[C@@H](N2CC[C@H](C(F)(F)F)c3ccccc32)C1=O ZINC000292751925 276896163 /nfs/dbraw/zinc/89/61/63/276896163.db2.gz NWYSKVNNECCOCE-DZGCQCFKSA-N 0 0 324.346 3.330 10 30 DGEERN CC(C)C[C@]1(C)NC(=O)N(CC#Cc2ccc(Cl)cc2)C1=O ZINC000176284659 277510600 /nfs/dbraw/zinc/51/06/00/277510600.db2.gz JLWOHVAQANVQGZ-KRWDZBQOSA-N 0 0 318.804 3.048 10 30 DGEERN C=C(C)CS(=O)(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000370461982 277778025 /nfs/dbraw/zinc/77/80/25/277778025.db2.gz QYZMPBYGGAWXOA-INIZCTEOSA-N 0 0 322.474 3.323 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC000359114721 277784963 /nfs/dbraw/zinc/78/49/63/277784963.db2.gz KOXLDHOIAPTVRX-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000089226484 277822533 /nfs/dbraw/zinc/82/25/33/277822533.db2.gz PUQVFKIIAJSIQA-INIZCTEOSA-N 0 0 313.397 3.448 10 30 DGEERN C=CCOCCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000619489135 430596547 /nfs/dbraw/zinc/59/65/47/430596547.db2.gz HEXRBAKKWCAXPO-UHFFFAOYSA-N 0 0 310.401 3.098 10 30 DGEERN C=CCn1c(N2CC[C@@](C)(CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453435223 277894124 /nfs/dbraw/zinc/89/41/24/277894124.db2.gz GMZBEFYOSUGNMI-SJORKVTESA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C1CCC1 ZINC000350598453 277895113 /nfs/dbraw/zinc/89/51/13/277895113.db2.gz MQUFAWXYKYUROO-INIZCTEOSA-N 0 0 310.401 3.129 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000456611541 277908301 /nfs/dbraw/zinc/90/83/01/277908301.db2.gz RAVFDLZPHLSTQX-APWZRJJASA-N 0 0 316.445 3.303 10 30 DGEERN C=C[C@H]1CCCCN1S(=O)(=O)N(CCCC)CCCC ZINC000487358045 277913624 /nfs/dbraw/zinc/91/36/24/277913624.db2.gz PUENOYOYKVQEFB-HNNXBMFYSA-N 0 0 302.484 3.174 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000184812605 335088995 /nfs/dbraw/zinc/08/89/95/335088995.db2.gz NQTVUPKDXNBBIP-JTQLQIEISA-N 0 0 302.346 3.060 10 30 DGEERN CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000329406009 278713141 /nfs/dbraw/zinc/71/31/41/278713141.db2.gz BVIUEEKDHSRDJD-NVXWUHKLSA-N 0 0 324.465 3.041 10 30 DGEERN CCN(C(=O)NCc1ccc(C#N)cc1)[C@H](C)c1cccnc1 ZINC000115656459 279002917 /nfs/dbraw/zinc/00/29/17/279002917.db2.gz BTDWZUQFBPASIU-CQSZACIVSA-N 0 0 308.385 3.246 10 30 DGEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1sccc1C#N ZINC000103375361 279013456 /nfs/dbraw/zinc/01/34/56/279013456.db2.gz ZWCWZLBFLANUAD-SECBINFHSA-N 0 0 313.338 3.119 10 30 DGEERN Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)o1 ZINC000329264631 279020708 /nfs/dbraw/zinc/02/07/08/279020708.db2.gz GTOSWMLXURZBAA-NQBHXWOUSA-N 0 0 322.409 3.081 10 30 DGEERN C=CC12CC[NH+](CC1)[C@@H]([C@@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345728 431168397 /nfs/dbraw/zinc/16/83/97/431168397.db2.gz FNBBFRCDCVFRON-MOPGFXCFSA-N 0 0 324.424 3.317 10 30 DGEERN COCc1c(C(=O)N[C@H](C#N)C2CC2)sc2cccc(F)c21 ZINC000108833356 431156065 /nfs/dbraw/zinc/15/60/65/431156065.db2.gz BYJFYTQRZZLSTK-GFCCVEGCSA-N 0 0 318.373 3.219 10 30 DGEERN CC(C)(C)c1ccc(SCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108835061 431156137 /nfs/dbraw/zinc/15/61/37/431156137.db2.gz VSCHJJKCHOGXCV-OAHLLOKOSA-N 0 0 302.443 3.495 10 30 DGEERN COCc1c(C(=O)N[C@@H](C#N)C2CC2)sc2cccc(F)c21 ZINC000108833355 431156509 /nfs/dbraw/zinc/15/65/09/431156509.db2.gz BYJFYTQRZZLSTK-LBPRGKRZSA-N 0 0 318.373 3.219 10 30 DGEERN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)C1CC1 ZINC000108840190 431156803 /nfs/dbraw/zinc/15/68/03/431156803.db2.gz OBYXPYYWMXGKNI-ZDUSSCGKSA-N 0 0 315.373 3.290 10 30 DGEERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C#N)C4CC4)cc3c2C1 ZINC000108828592 431157563 /nfs/dbraw/zinc/15/75/63/431157563.db2.gz UFFMBKLNEYVNGJ-ADLMAVQZSA-N 0 0 307.397 3.325 10 30 DGEERN N#C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)C1CC1 ZINC000108833922 431157716 /nfs/dbraw/zinc/15/77/16/431157716.db2.gz ZYWOVGPZOAZDMH-QGZVFWFLSA-N 0 0 306.365 3.151 10 30 DGEERN CC(C)Cc1ccc(C(=O)CCC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108837022 431158095 /nfs/dbraw/zinc/15/80/95/431158095.db2.gz ABUHQYZMEDNHAH-KRWDZBQOSA-N 0 0 312.413 3.266 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(C#N)cc1)C2 ZINC000112712425 431298404 /nfs/dbraw/zinc/29/84/04/431298404.db2.gz QCHUOFZSKZDPTO-UHFFFAOYSA-N 0 0 323.400 3.005 10 30 DGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(C)COC1 ZINC000112738202 431303803 /nfs/dbraw/zinc/30/38/03/431303803.db2.gz XBGHHRLFYIJTQS-LBPRGKRZSA-N 0 0 319.430 3.096 10 30 DGEERN C#Cc1cccc(Nc2ncnc3cc(OC)c([N+](=O)[O-])cc32)c1 ZINC000071261188 431275257 /nfs/dbraw/zinc/27/52/57/431275257.db2.gz DFMCIAKKWVZERJ-UHFFFAOYSA-N 0 0 320.308 3.272 10 30 DGEERN Cc1cc(N[C@@H]2CCCC[C@@H]2O)n2c3ccccc3nc2c1C#N ZINC000072085452 431331416 /nfs/dbraw/zinc/33/14/16/431331416.db2.gz NHPAOCUPZZODCF-WBVHZDCISA-N 0 0 320.396 3.383 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000113894786 431364886 /nfs/dbraw/zinc/36/48/86/431364886.db2.gz UPKBIVBFNQOZGS-KRWDZBQOSA-N 0 0 311.385 3.342 10 30 DGEERN C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@H]1O ZINC000408089713 279727368 /nfs/dbraw/zinc/72/73/68/279727368.db2.gz OVXWAHUDAMRFSX-TVQRCGJNSA-N 0 0 319.767 3.106 10 30 DGEERN N#CCCN(Cc1ccco1)C(=O)c1cccc2ncccc21 ZINC000114683941 431402998 /nfs/dbraw/zinc/40/29/98/431402998.db2.gz DJRQXYMJFPHHBJ-UHFFFAOYSA-N 0 0 305.337 3.384 10 30 DGEERN CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](C)c1cccnc1 ZINC000115228389 431440167 /nfs/dbraw/zinc/44/01/67/431440167.db2.gz UOLORNDPNNVEMY-CABCVRRESA-N 0 0 323.396 3.330 10 30 DGEERN N#CC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCCC1 ZINC000115221693 431440550 /nfs/dbraw/zinc/44/05/50/431440550.db2.gz WXHXWWZGHAPTJC-UHFFFAOYSA-N 0 0 316.376 3.279 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc(OC)nc2ccccc12 ZINC000075111543 431454461 /nfs/dbraw/zinc/45/44/61/431454461.db2.gz SMTKISHHYDWSHA-UHFFFAOYSA-N 0 0 313.401 3.351 10 30 DGEERN CCOc1ccc(/C=N/NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000013656667 431563133 /nfs/dbraw/zinc/56/31/33/431563133.db2.gz XJVSEWUKIWIUCY-QNWHXTRKSA-N 0 0 317.458 3.072 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000076650338 431559858 /nfs/dbraw/zinc/55/98/58/431559858.db2.gz GMAGABHADBYVGZ-SFHVURJKSA-N 0 0 314.429 3.165 10 30 DGEERN C=CCCCN(C)C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000076491748 431553323 /nfs/dbraw/zinc/55/33/23/431553323.db2.gz WQSCYYDIZZUECV-LJQANCHMSA-N 0 0 314.429 3.106 10 30 DGEERN C=CCCCN(C)C(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000076485451 431554007 /nfs/dbraw/zinc/55/40/07/431554007.db2.gz ZYHRSIJHMKPZOQ-UHFFFAOYSA-N 0 0 301.434 3.031 10 30 DGEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1sccc1C#N ZINC000103375363 280023999 /nfs/dbraw/zinc/02/39/99/280023999.db2.gz ZWCWZLBFLANUAD-VIFPVBQESA-N 0 0 313.338 3.119 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117573499 431566402 /nfs/dbraw/zinc/56/64/02/431566402.db2.gz XYWIXJICVRTJIL-GTNSWQLSSA-N 0 0 309.321 3.037 10 30 DGEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@H]1CCCCO1 ZINC000407984352 280502304 /nfs/dbraw/zinc/50/23/04/280502304.db2.gz WAOVWMCEQXYYFV-CYBMUJFWSA-N 0 0 316.788 3.404 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C/C(=N\O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000026579463 431679374 /nfs/dbraw/zinc/67/93/74/431679374.db2.gz NMYWNOLKCQNSCX-OTQQBNQMSA-N 0 0 317.429 3.319 10 30 DGEERN COCCn1nc(C)c(CNc2ccc(C#N)c(Cl)c2)c1C ZINC000078612350 431687243 /nfs/dbraw/zinc/68/72/43/431687243.db2.gz CFGKIPKHTREJAO-UHFFFAOYSA-N 0 0 318.808 3.284 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000119490521 431699486 /nfs/dbraw/zinc/69/94/86/431699486.db2.gz MFJUAIANCGNPQM-CQSZACIVSA-N 0 0 308.381 3.276 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000119547629 431707052 /nfs/dbraw/zinc/70/70/52/431707052.db2.gz PVPLUPHWRHPIEP-KXBFYZLASA-N 0 0 320.392 3.469 10 30 DGEERN CSCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000030989508 431750950 /nfs/dbraw/zinc/75/09/50/431750950.db2.gz NHVHLRXGLYTWMZ-UHFFFAOYSA-N 0 0 317.439 3.297 10 30 DGEERN C#CCCCCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000119692519 431714283 /nfs/dbraw/zinc/71/42/83/431714283.db2.gz UUBADCZGRFNWRV-UHFFFAOYSA-N 0 0 312.413 3.013 10 30 DGEERN CC(C)COC1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000079207253 431719730 /nfs/dbraw/zinc/71/97/30/431719730.db2.gz RSDVYHHYNGPNIM-UHFFFAOYSA-N 0 0 300.402 3.030 10 30 DGEERN N#CCSc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000079412615 431722566 /nfs/dbraw/zinc/72/25/66/431722566.db2.gz SILHZUBGZRTHIV-JKSUJKDBSA-N 0 0 316.426 3.086 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000121463318 431789842 /nfs/dbraw/zinc/78/98/42/431789842.db2.gz JUVZDLJKLRCLBW-CYBMUJFWSA-N 0 0 314.389 3.405 10 30 DGEERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(C#N)cn1C ZINC000081547465 431790991 /nfs/dbraw/zinc/79/09/91/431790991.db2.gz LRJRZGOTBWZBSI-IUODEOHRSA-N 0 0 311.360 3.054 10 30 DGEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1OC(F)F ZINC000081538560 431791059 /nfs/dbraw/zinc/79/10/59/431791059.db2.gz RJTVLICAEHIUFA-UHFFFAOYSA-N 0 0 305.284 3.059 10 30 DGEERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1(C#N)CCCC1 ZINC000121961174 431808634 /nfs/dbraw/zinc/80/86/34/431808634.db2.gz WVAJWVXTUMAYTM-LBPRGKRZSA-N 0 0 306.793 3.368 10 30 DGEERN C=CCNC(=O)CSCc1csc(Br)c1 ZINC000121999549 431809144 /nfs/dbraw/zinc/80/91/44/431809144.db2.gz YSCAHVSCDYAEQW-UHFFFAOYSA-N 0 0 306.250 3.046 10 30 DGEERN CC#CCNC(=O)c1ccccc1SCc1cscn1 ZINC000121337298 431772382 /nfs/dbraw/zinc/77/23/82/431772382.db2.gz RWPRCJQFRDYAAE-UHFFFAOYSA-N 0 0 302.424 3.189 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000081036432 431783936 /nfs/dbraw/zinc/78/39/36/431783936.db2.gz KLIWSADHJGPEKJ-KRWDZBQOSA-N 0 0 305.381 3.189 10 30 DGEERN CC(C)[C@@H](C)N(C(=O)NCCOc1ccc(C#N)cc1)C1CC1 ZINC000086424737 431845809 /nfs/dbraw/zinc/84/58/09/431845809.db2.gz WLJKEZYTQRHBGU-CQSZACIVSA-N 0 0 315.417 3.156 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H](C(=O)OC)c1ccccc1)c1ccccc1 ZINC000123010768 431851744 /nfs/dbraw/zinc/85/17/44/431851744.db2.gz FDPHJJCEMNNIBD-KXBFYZLASA-N 0 0 323.392 3.377 10 30 DGEERN N#CC1(NC(=O)CCC(=O)c2ccc(F)c(F)c2)CCCCC1 ZINC000087233606 431852080 /nfs/dbraw/zinc/85/20/80/431852080.db2.gz BIZAEEQBFOYASP-UHFFFAOYSA-N 0 0 320.339 3.270 10 30 DGEERN CS/C(=N\C(=O)Nc1ccccc1)NC(=O)c1ccccc1 ZINC000038822915 431856329 /nfs/dbraw/zinc/85/63/29/431856329.db2.gz BWUAVWRDPGEGRH-UHFFFAOYSA-N 0 0 313.382 3.368 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CNc1cc(F)ccc1OC(C)C ZINC000088532895 431858144 /nfs/dbraw/zinc/85/81/44/431858144.db2.gz MIQYPEZBVQEUPX-ZDUSSCGKSA-N 0 0 321.396 3.033 10 30 DGEERN COc1cccc([C@H]2CN(CC(C)(C)CCC#N)CCO2)c1 ZINC000093080613 431913110 /nfs/dbraw/zinc/91/31/10/431913110.db2.gz LKVNNYVKSDDNSE-QGZVFWFLSA-N 0 0 302.418 3.398 10 30 DGEERN Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1Br ZINC000093220592 431914315 /nfs/dbraw/zinc/91/43/15/431914315.db2.gz PTOAFVXLZXRJMF-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN C=CCn1c(SCC(=O)[C@@H](C)CC)nc2sccc2c1=O ZINC000089662635 431874387 /nfs/dbraw/zinc/87/43/87/431874387.db2.gz GTKPZPGDNBQJQB-JTQLQIEISA-N 0 0 322.455 3.351 10 30 DGEERN N#Cc1nccn1CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000124011169 431880617 /nfs/dbraw/zinc/88/06/17/431880617.db2.gz YGXZMGVICWBEKO-UHFFFAOYSA-N 0 0 303.321 3.430 10 30 DGEERN N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2)CC1 ZINC000045948748 431891787 /nfs/dbraw/zinc/89/17/87/431891787.db2.gz KGXNQKKWCNLECM-UHFFFAOYSA-N 0 0 320.396 3.302 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000091107647 431902967 /nfs/dbraw/zinc/90/29/67/431902967.db2.gz DNGLBZBJOJXRPH-HNNXBMFYSA-N 0 0 312.360 3.260 10 30 DGEERN N#CC1(NC(=O)c2ccc(Oc3ccccc3)nc2)CCCC1 ZINC000097491576 431971102 /nfs/dbraw/zinc/97/11/02/431971102.db2.gz QHGSLZSBSBVAQJ-UHFFFAOYSA-N 0 0 307.353 3.440 10 30 DGEERN C=CCN(CC=C)C(=O)COc1ccc(/C=C\C)cc1OC ZINC000049824708 431944101 /nfs/dbraw/zinc/94/41/01/431944101.db2.gz GHIMLMBUDJLRGM-YVMONPNESA-N 0 0 301.386 3.308 10 30 DGEERN CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000049990614 431945602 /nfs/dbraw/zinc/94/56/02/431945602.db2.gz GMLLGTUEHACTQE-UHFFFAOYSA-N 0 0 300.383 3.082 10 30 DGEERN NC(=O)c1ccccc1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100484728 431982188 /nfs/dbraw/zinc/98/21/88/431982188.db2.gz MRPZFZSIMWJEHZ-IUXPMGMMSA-N 0 0 303.705 3.098 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000128378960 431992723 /nfs/dbraw/zinc/99/27/23/431992723.db2.gz ACILWNSBLRNXHH-UONOGXRCSA-N 0 0 321.852 3.303 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000183312187 432281581 /nfs/dbraw/zinc/28/15/81/432281581.db2.gz VSRIYQRIEAZBCJ-KURKYZTESA-N 0 0 316.445 3.024 10 30 DGEERN C[C@H]1C[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)C1 ZINC000248387705 432282916 /nfs/dbraw/zinc/28/29/16/432282916.db2.gz BUOFUDGCAPFILI-NHAGDIPZSA-N 0 0 323.400 3.150 10 30 DGEERN Cc1csc(C2CCN(C(=O)c3sccc3C#N)CC2)n1 ZINC000102646016 431996490 /nfs/dbraw/zinc/99/64/90/431996490.db2.gz NBXXDJIBQHBKBL-UHFFFAOYSA-N 0 0 317.439 3.405 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000191427517 432263167 /nfs/dbraw/zinc/26/31/67/432263167.db2.gz FBGKMMNPHZVWCD-OAHLLOKOSA-N 0 0 317.433 3.170 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000151699184 432268241 /nfs/dbraw/zinc/26/82/41/432268241.db2.gz YFFHZBSUVUSNHI-UHFFFAOYSA-N 0 0 307.397 3.091 10 30 DGEERN CC[C@@H](CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)C ZINC000183691669 432317735 /nfs/dbraw/zinc/31/77/35/432317735.db2.gz NBBQVQMLUKJWEF-ZDUSSCGKSA-N 0 0 311.389 3.150 10 30 DGEERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC#Cc1ccccc1 ZINC000192053423 432329230 /nfs/dbraw/zinc/32/92/30/432329230.db2.gz PJRNTPADHVSYER-KSFYIVLOSA-N 0 0 311.450 3.469 10 30 DGEERN C[C@H](COCc1ccccc1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000183940352 432336881 /nfs/dbraw/zinc/33/68/81/432336881.db2.gz NLRARVWWZVCEAZ-CYBMUJFWSA-N 0 0 311.341 3.484 10 30 DGEERN Cc1nc(C(=O)NCc2cccc(C#N)c2)c(-c2ccccc2)o1 ZINC000183951919 432337587 /nfs/dbraw/zinc/33/75/87/432337587.db2.gz ABSVXANLWPPMRS-UHFFFAOYSA-N 0 0 317.348 3.452 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)c1cccnc1 ZINC000174356013 432340251 /nfs/dbraw/zinc/34/02/51/432340251.db2.gz GLUABONECNSECD-HNNXBMFYSA-N 0 0 305.381 3.272 10 30 DGEERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000184057831 432349995 /nfs/dbraw/zinc/34/99/95/432349995.db2.gz ZSJPUARNCTYKNR-CYBMUJFWSA-N 0 0 311.341 3.484 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000173882804 432305896 /nfs/dbraw/zinc/30/58/96/432305896.db2.gz GQISQKCNDOQMEZ-UHFFFAOYSA-N 0 0 324.424 3.270 10 30 DGEERN CN(CC#Cc1ccccc1)CC(=O)Nc1cccc(Cl)c1 ZINC000191899920 432311416 /nfs/dbraw/zinc/31/14/16/432311416.db2.gz RFZFZBDZFNQEPE-UHFFFAOYSA-N 0 0 312.800 3.262 10 30 DGEERN COc1ccc(CONC(=O)CCCc2ccccc2)cc1C#N ZINC000153235672 432394160 /nfs/dbraw/zinc/39/41/60/432394160.db2.gz NIINWUOGGSADOF-UHFFFAOYSA-N 0 0 324.380 3.138 10 30 DGEERN CCSc1nnc(C)n1N=Cc1ccc(OC(F)F)cc1 ZINC000254398231 432401827 /nfs/dbraw/zinc/40/18/27/432401827.db2.gz LZWJYMBFBOBWQA-UHFFFAOYSA-N 0 0 312.345 3.182 10 30 DGEERN COc1ccccc1CN=Nc1snc(SC)c1C#N ZINC000254287215 432401998 /nfs/dbraw/zinc/40/19/98/432401998.db2.gz PLTKVWPFPJRLQR-UHFFFAOYSA-N 0 0 304.400 3.191 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1n[nH]c(-c2ccccc2OC)n1 ZINC000184533612 432403824 /nfs/dbraw/zinc/40/38/24/432403824.db2.gz LICCCWCKUGFUEB-LLVKDONJSA-N 0 0 300.362 3.021 10 30 DGEERN CCN(C[C@@H](C)C#N)C[C@@H](O)COc1ccccc1C(C)C ZINC000249913673 432362021 /nfs/dbraw/zinc/36/20/21/432362021.db2.gz WTVUELXOZCLTDX-JKSUJKDBSA-N 0 0 304.434 3.031 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000184774227 432431608 /nfs/dbraw/zinc/43/16/08/432431608.db2.gz SXZRIGWVHGWOME-IAGOWNOFSA-N 0 0 300.402 3.190 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1ncccc1OCC ZINC000193041728 432442510 /nfs/dbraw/zinc/44/25/10/432442510.db2.gz NITRSYDKQGQNBF-UHFFFAOYSA-N 0 0 302.399 3.370 10 30 DGEERN CC(C)CC(=O)N1CCC(COc2cccc(F)c2C#N)CC1 ZINC000185009534 432455865 /nfs/dbraw/zinc/45/58/65/432455865.db2.gz KZXXGZPTSXHWLU-UHFFFAOYSA-N 0 0 318.392 3.361 10 30 DGEERN CC(C)c1noc2ncc(C(=O)N[C@@](C)(C#N)C(C)C)cc21 ZINC000192844313 432421121 /nfs/dbraw/zinc/42/11/21/432421121.db2.gz JUWURWABPGLTNX-INIZCTEOSA-N 0 0 300.362 3.014 10 30 DGEERN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000175339912 432425782 /nfs/dbraw/zinc/42/57/82/432425782.db2.gz MDRQVFGXCMYEOH-KBPBESRZSA-N 0 0 307.394 3.493 10 30 DGEERN C[C@H](NCc1cc(C#N)cs1)c1cn(-c2ccccc2)nn1 ZINC000154105867 432472639 /nfs/dbraw/zinc/47/26/39/432472639.db2.gz MUSAPPHULCXCNR-LBPRGKRZSA-N 0 0 309.398 3.051 10 30 DGEERN N#Cc1ccc(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000262509731 432487721 /nfs/dbraw/zinc/48/77/21/432487721.db2.gz AUYRXQZLPWLKQD-GOSISDBHSA-N 0 0 308.381 3.124 10 30 DGEERN N#Cc1ccc(CNC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000154412433 432497569 /nfs/dbraw/zinc/49/75/69/432497569.db2.gz ITWAXSFCTRHBEH-UHFFFAOYSA-N 0 0 314.335 3.476 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000185570990 432510989 /nfs/dbraw/zinc/51/09/89/432510989.db2.gz AYCPBGFHGCBFLB-FUHWJXTLSA-N 0 0 300.446 3.370 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC000185953913 432548879 /nfs/dbraw/zinc/54/88/79/432548879.db2.gz GQANNVSAYZWDOF-GFCCVEGCSA-N 0 0 318.348 3.445 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCCc1cc(OC)ccc1OC ZINC000185951510 432549377 /nfs/dbraw/zinc/54/93/77/432549377.db2.gz NWUPRXHDMSKYQJ-CQSZACIVSA-N 0 0 305.418 3.355 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CCCC)c1ccc(OC)cc1 ZINC000185958990 432549534 /nfs/dbraw/zinc/54/95/34/432549534.db2.gz XGZYYKOCDFRVAJ-WBVHZDCISA-N 0 0 320.433 3.163 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000185982347 432551598 /nfs/dbraw/zinc/55/15/98/432551598.db2.gz MOAPBNFBNREPJV-QWHCGFSZSA-N 0 0 323.462 3.215 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000186011107 432553352 /nfs/dbraw/zinc/55/33/52/432553352.db2.gz RXGKLAMTKXWAGO-KBPBESRZSA-N 0 0 319.401 3.018 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)OC)c2ccccc21 ZINC000186099022 432559003 /nfs/dbraw/zinc/55/90/03/432559003.db2.gz IHVKPRXKLRIWQQ-ZFWWWQNUSA-N 0 0 301.386 3.282 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000185714709 432527796 /nfs/dbraw/zinc/52/77/96/432527796.db2.gz QMTYTTUDBGXSHB-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1nc([C@H](C)SCC)no1 ZINC000185886995 432543444 /nfs/dbraw/zinc/54/34/44/432543444.db2.gz AZKYHLFHVPSRNM-NEPJUHHUSA-N 0 0 311.451 3.444 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185925901 432545661 /nfs/dbraw/zinc/54/56/61/432545661.db2.gz HHRNGGYLFKJVRK-HRCADAONSA-N 0 0 324.465 3.005 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2cc(C#N)cs2)cc1OC ZINC000176930123 432565548 /nfs/dbraw/zinc/56/55/48/432565548.db2.gz JXJFUWXVCGBDOP-JTQLQIEISA-N 0 0 316.382 3.128 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000186187071 432566393 /nfs/dbraw/zinc/56/63/93/432566393.db2.gz OLKJOEIJIBSVQC-WBVHZDCISA-N 0 0 304.434 3.318 10 30 DGEERN C=CCSCCNC(=O)N1CCC(n2c(C)ccc2C)CC1 ZINC000263847342 432584191 /nfs/dbraw/zinc/58/41/91/432584191.db2.gz RJTZLZGWMJLMBQ-UHFFFAOYSA-N 0 0 321.490 3.371 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3cccc(CC#N)c3)c2)no1 ZINC000194916411 432585027 /nfs/dbraw/zinc/58/50/27/432585027.db2.gz RBNDREBITJRCJK-UHFFFAOYSA-N 0 0 318.336 3.363 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000177152132 432590543 /nfs/dbraw/zinc/59/05/43/432590543.db2.gz BFLCJMMESUFWNL-UHFFFAOYSA-N 0 0 315.804 3.301 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000186463880 432597413 /nfs/dbraw/zinc/59/74/13/432597413.db2.gz AAPPOGXASOOFIP-CYBMUJFWSA-N 0 0 316.323 3.240 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000274279624 432647583 /nfs/dbraw/zinc/64/75/83/432647583.db2.gz KGOVXRLMWLAJPN-XJKSGUPXSA-N 0 0 315.392 3.367 10 30 DGEERN C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195329939 432619233 /nfs/dbraw/zinc/61/92/33/432619233.db2.gz HEHMKTFRZRNTJO-OAHLLOKOSA-N 0 0 321.490 3.056 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000195364837 432619924 /nfs/dbraw/zinc/61/99/24/432619924.db2.gz XYAOADNEBFCUNI-CQSZACIVSA-N 0 0 307.463 3.095 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCCCCc1ccc(F)cc1 ZINC000186934238 432637970 /nfs/dbraw/zinc/63/79/70/432637970.db2.gz SVBDOSOIFFKZLJ-UHFFFAOYSA-N 0 0 313.376 3.179 10 30 DGEERN C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)Oc1ccccc1 ZINC000186976330 432639091 /nfs/dbraw/zinc/63/90/91/432639091.db2.gz QLGNGRDOKLLBDR-HNNXBMFYSA-N 0 0 320.392 3.174 10 30 DGEERN C#CCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000187175698 432649348 /nfs/dbraw/zinc/64/93/48/432649348.db2.gz QDUYDNSRFYOAHG-FZKQIMNGSA-N 0 0 307.349 3.202 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1 ZINC000187447886 432664837 /nfs/dbraw/zinc/66/48/37/432664837.db2.gz LEYZQTJIGYCGNB-UHFFFAOYSA-N 0 0 316.404 3.438 10 30 DGEERN COc1ccc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)cn1 ZINC000188014133 432698372 /nfs/dbraw/zinc/69/83/72/432698372.db2.gz HJDHAEHNZKRSED-UHFFFAOYSA-N 0 0 318.336 3.092 10 30 DGEERN COc1cc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)ccn1 ZINC000188022280 432698556 /nfs/dbraw/zinc/69/85/56/432698556.db2.gz ZPNGFQDLTUKRNT-UHFFFAOYSA-N 0 0 318.336 3.092 10 30 DGEERN COCc1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188239099 432713129 /nfs/dbraw/zinc/71/31/29/432713129.db2.gz UVDQDJNUPPZSEY-UHFFFAOYSA-N 0 0 320.392 3.053 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160468431 432723153 /nfs/dbraw/zinc/72/31/53/432723153.db2.gz DHKIOYDFNAFPDQ-VXGBXAGGSA-N 0 0 311.307 3.342 10 30 DGEERN C=CCCN(C)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000276080881 432771529 /nfs/dbraw/zinc/77/15/29/432771529.db2.gz LGRSUIAYNMBFBY-UHFFFAOYSA-N 0 0 318.417 3.359 10 30 DGEERN COc1ccc2[nH]c(C(=O)Nc3ccc(F)c(C#N)c3)cc2c1 ZINC000189240905 432772053 /nfs/dbraw/zinc/77/20/53/432772053.db2.gz IKJDKQNQHMFKJA-UHFFFAOYSA-N 0 0 309.300 3.440 10 30 DGEERN COc1ccc2[nH]c(C(=O)N(CCC#N)Cc3ccco3)cc2c1 ZINC000189242643 432772422 /nfs/dbraw/zinc/77/24/22/432772422.db2.gz IIYKYOBTEVCYIK-UHFFFAOYSA-N 0 0 323.352 3.326 10 30 DGEERN Cc1cc(C)c2ncc(C#N)c(NCc3cc(C(N)=O)co3)c2c1 ZINC000189225908 432772605 /nfs/dbraw/zinc/77/26/05/432772605.db2.gz UPHYCJKYGRQWDY-UHFFFAOYSA-N 0 0 320.352 3.027 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000160810711 432742485 /nfs/dbraw/zinc/74/24/85/432742485.db2.gz XRESXFMAOAXPME-SJKOYZFVSA-N 0 0 320.820 3.480 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CCC1 ZINC000189771931 432817292 /nfs/dbraw/zinc/81/72/92/432817292.db2.gz MHNCIDGRUSDULP-AWEZNQCLSA-N 0 0 310.401 3.191 10 30 DGEERN C=C(CSc1nncn1[C@H](C)c1ccccc1)C(=O)OCC ZINC000276603021 432821786 /nfs/dbraw/zinc/82/17/86/432821786.db2.gz KSSKWAWEIQYXNQ-CYBMUJFWSA-N 0 0 317.414 3.099 10 30 DGEERN CO[C@H]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000189487924 432790659 /nfs/dbraw/zinc/79/06/59/432790659.db2.gz GAIPTYOLMZHXEM-GJZGRUSLSA-N 0 0 301.390 3.177 10 30 DGEERN C=CCCC[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189526552 432796192 /nfs/dbraw/zinc/79/61/92/432796192.db2.gz GORHXPNVWMIICI-UHFFFAOYSA-N 0 0 302.447 3.088 10 30 DGEERN CC(C)[C@H](SCc1ccccc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000161769538 432796848 /nfs/dbraw/zinc/79/68/48/432796848.db2.gz YEOFXPZWPKYQPJ-HOTGVXAUSA-N 0 0 302.443 3.363 10 30 DGEERN CN(c1ccccc1)c1ccccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161826501 432799477 /nfs/dbraw/zinc/79/94/77/432799477.db2.gz PGWHTGSKECFPOD-KRWDZBQOSA-N 0 0 305.381 3.486 10 30 DGEERN Cc1ccc(C#N)c(N2CCO[C@H](c3ccc(F)c(C)c3)C2)n1 ZINC000162193254 432815370 /nfs/dbraw/zinc/81/53/70/432815370.db2.gz KAIQYIWHIJXVOE-KRWDZBQOSA-N 0 0 311.360 3.287 10 30 DGEERN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000245771705 432862447 /nfs/dbraw/zinc/86/24/47/432862447.db2.gz RZETZFFNIBOVJR-AUUYWEPGSA-N 0 0 302.381 3.399 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccnnc2C)C12CCCC2 ZINC000330167611 432895522 /nfs/dbraw/zinc/89/55/22/432895522.db2.gz ZDVGPTRHYFEEFO-LSDHHAIUSA-N 0 0 318.421 3.000 10 30 DGEERN C=C(C)CN(CC)C(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000296199064 432882408 /nfs/dbraw/zinc/88/24/08/432882408.db2.gz OESUNLXZSMHIJR-UHFFFAOYSA-N 0 0 318.808 3.174 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)CCSC ZINC000288079640 432884964 /nfs/dbraw/zinc/88/49/64/432884964.db2.gz GZNXMTZCIPTMNC-RDJZCZTQSA-N 0 0 318.486 3.404 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000288100867 432886103 /nfs/dbraw/zinc/88/61/03/432886103.db2.gz INYJLDKIMSQFTF-UHFFFAOYSA-N 0 0 320.270 3.058 10 30 DGEERN C=C(CNC(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1 ZINC000288225006 432890573 /nfs/dbraw/zinc/89/05/73/432890573.db2.gz PPRVEHWIPAQALK-UHFFFAOYSA-N 0 0 323.318 3.279 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000288364046 432891131 /nfs/dbraw/zinc/89/11/31/432891131.db2.gz IRYAFFNUTHKTRR-SECBINFHSA-N 0 0 314.332 3.002 10 30 DGEERN C#CCC(CC#C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000288298312 432891225 /nfs/dbraw/zinc/89/12/25/432891225.db2.gz DNNKZRMBPCWHJD-UHFFFAOYSA-N 0 0 317.791 3.290 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cncc(C(F)(F)F)c1 ZINC000288400835 432892262 /nfs/dbraw/zinc/89/22/62/432892262.db2.gz QISPTHUPFKGLQS-UHFFFAOYSA-N 0 0 312.213 3.291 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000330071102 432892422 /nfs/dbraw/zinc/89/24/22/432892422.db2.gz IOVAGIJJXIGXMO-KCYZZUKISA-N 0 0 317.433 3.423 10 30 DGEERN [O-]C(=[NH+]c1nc2ccsc2s1)N1CCO[C@@H](C2CC2)C1 ZINC000330113662 432893233 /nfs/dbraw/zinc/89/32/33/432893233.db2.gz DDUXWZNGGQNVQH-SNVBAGLBSA-N 0 0 309.416 3.014 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000288525632 432893871 /nfs/dbraw/zinc/89/38/71/432893871.db2.gz SWNBKGRFKSJZLG-QGZVFWFLSA-N 0 0 317.816 3.149 10 30 DGEERN CCOc1ccc(NC(=O)N2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000330126806 432894324 /nfs/dbraw/zinc/89/43/24/432894324.db2.gz IVQAJXXGLCCLAQ-OAHLLOKOSA-N 0 0 324.808 3.395 10 30 DGEERN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330129229 432894395 /nfs/dbraw/zinc/89/43/95/432894395.db2.gz DWQOTRQOMNETBC-IXYNUQLISA-N 0 0 305.422 3.423 10 30 DGEERN C=CCCCCNC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296713146 432925187 /nfs/dbraw/zinc/92/51/87/432925187.db2.gz BBGAVOZMWUOIJS-SECBINFHSA-N 0 0 307.341 3.402 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000278726012 432899478 /nfs/dbraw/zinc/89/94/78/432899478.db2.gz HSZPYZHXIYLVQL-WPKBUWHJSA-N 0 0 311.381 3.075 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](Cc1ccccc1OC)C(C)C ZINC000289015861 432913237 /nfs/dbraw/zinc/91/32/37/432913237.db2.gz ACUZOMXHSFSEKE-GOSISDBHSA-N 0 0 311.425 3.041 10 30 DGEERN C#CCOc1cccc(-c2noc(C[C@H](O)CC(C)(C)C)n2)c1 ZINC000289055278 432917449 /nfs/dbraw/zinc/91/74/49/432917449.db2.gz XVUSSZYFJLWUIS-AWEZNQCLSA-N 0 0 314.385 3.088 10 30 DGEERN C=CCCC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000289675030 432971711 /nfs/dbraw/zinc/97/17/11/432971711.db2.gz LCVMTFCSSJTQEK-JTQLQIEISA-N 0 0 317.311 3.194 10 30 DGEERN C=CCCCN(C)C(=O)Cn1c(C)nc2cc(F)c(F)cc21 ZINC000280058882 433002068 /nfs/dbraw/zinc/00/20/68/433002068.db2.gz HXHPTVGYWLFBGD-UHFFFAOYSA-N 0 0 307.344 3.048 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC000280090562 433002367 /nfs/dbraw/zinc/00/23/67/433002367.db2.gz WOGZMEMFSUVYIS-UHFFFAOYSA-N 0 0 314.389 3.311 10 30 DGEERN C#Cc1ccc(CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000297496833 432997084 /nfs/dbraw/zinc/99/70/84/432997084.db2.gz TVFCWNNLGQYICF-GOSISDBHSA-N 0 0 320.392 3.494 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)CCCCC(=O)OC ZINC000280230484 433018459 /nfs/dbraw/zinc/01/84/59/433018459.db2.gz XOILIUAOQLGTHT-UHFFFAOYSA-N 0 0 303.402 3.325 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cccc(C(F)(F)F)n1 ZINC000297904483 433030962 /nfs/dbraw/zinc/03/09/62/433030962.db2.gz SRGVYWCEROMMJX-UHFFFAOYSA-N 0 0 301.312 3.208 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000280340932 433036247 /nfs/dbraw/zinc/03/62/47/433036247.db2.gz TYQPIMYXDDYFFN-UHFFFAOYSA-N 0 0 318.417 3.145 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000280405293 433046639 /nfs/dbraw/zinc/04/66/39/433046639.db2.gz OLPXGQOWVMZPPT-NVXWUHKLSA-N 0 0 302.418 3.199 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000341416347 433053038 /nfs/dbraw/zinc/05/30/38/433053038.db2.gz CCLPEMGUJUXERW-HFCFLWKCSA-N 0 0 316.445 3.123 10 30 DGEERN C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333392927 433053044 /nfs/dbraw/zinc/05/30/44/433053044.db2.gz DIBIHKTWGAJXGC-UTJXIGIESA-N 0 0 318.442 3.069 10 30 DGEERN C[C@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccncc1F ZINC000328898960 289232490 /nfs/dbraw/zinc/23/24/90/289232490.db2.gz XBJPTFJXHUPVHY-ZDUSSCGKSA-N 0 0 321.396 3.088 10 30 DGEERN C=C[C@H](CC(=O)NCCc1cccnc1OC)c1ccccc1 ZINC000290567874 433099856 /nfs/dbraw/zinc/09/98/56/433099856.db2.gz XPJAKCYZFWFPHI-OAHLLOKOSA-N 0 0 310.397 3.109 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CC)Cc1ccc(Cl)cc1 ZINC000298266229 433074954 /nfs/dbraw/zinc/07/49/54/433074954.db2.gz NBMAOBGVTOPRML-UHFFFAOYSA-N 0 0 322.836 3.113 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CCCC23CCC3)cc1 ZINC000373103198 433090624 /nfs/dbraw/zinc/09/06/24/433090624.db2.gz DMBSCXIVGQCNBA-UHFFFAOYSA-N 0 0 313.401 3.153 10 30 DGEERN C=CC(C)(C)CN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000420015182 433095098 /nfs/dbraw/zinc/09/50/98/433095098.db2.gz PRFAMJZUQYVXGI-ZDUSSCGKSA-N 0 0 306.793 3.015 10 30 DGEERN C=CCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000412194835 433097447 /nfs/dbraw/zinc/09/74/47/433097447.db2.gz IAAGRJYSTZWGPN-BBWFWOEESA-N 0 0 315.413 3.399 10 30 DGEERN C=C(C)CN(CC)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000298422191 433131700 /nfs/dbraw/zinc/13/17/00/433131700.db2.gz LTQPGTUMOKCLDZ-BBRMVZONSA-N 0 0 300.402 3.319 10 30 DGEERN C=CCSc1ccccc1C(=O)NCc1ncnn1C(C)C ZINC000412295242 433142060 /nfs/dbraw/zinc/14/20/60/433142060.db2.gz BCUAOBMAGJAQDQ-UHFFFAOYSA-N 0 0 316.430 3.067 10 30 DGEERN C#CCCCCNC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000373140812 433106109 /nfs/dbraw/zinc/10/61/09/433106109.db2.gz SIQCOQNIOICQLW-UHFFFAOYSA-N 0 0 317.820 3.337 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1scnc1C ZINC000298361724 433109163 /nfs/dbraw/zinc/10/91/63/433109163.db2.gz LOENEXCBFCIMDV-MRXNPFEDSA-N 0 0 312.438 3.135 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000425177675 433118198 /nfs/dbraw/zinc/11/81/98/433118198.db2.gz HVNFZFFVIPEJGJ-QRTARXTBSA-N 0 0 323.458 3.070 10 30 DGEERN C=CCN(C)c1nnc([C@@]2(C)CCCO2)n1Cc1cccs1 ZINC000453532459 433207345 /nfs/dbraw/zinc/20/73/45/433207345.db2.gz IWFCBCCSEDUBJO-MRXNPFEDSA-N 0 0 318.446 3.036 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)COc1ccc(C#N)cc1 ZINC000157572409 292748429 /nfs/dbraw/zinc/74/84/29/292748429.db2.gz NMUUKPVRSVBVAL-UHFFFAOYSA-N 0 0 308.337 3.087 10 30 DGEERN C=CCN(Cc1ccccc1)c1nnc([C@@]2(C)CCCO2)n1C ZINC000453418424 433171282 /nfs/dbraw/zinc/17/12/82/433171282.db2.gz DKYXGLRAGSDUFR-GOSISDBHSA-N 0 0 312.417 3.033 10 30 DGEERN C=CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453432487 433177969 /nfs/dbraw/zinc/17/79/69/433177969.db2.gz BUEOFTJDKWHGDW-KBXCAEBGSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)c1nccs1 ZINC000447303579 433182188 /nfs/dbraw/zinc/18/21/88/433182188.db2.gz SNDITDVMRVZVCJ-UHFFFAOYSA-N 0 0 304.327 3.042 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000374260848 433183393 /nfs/dbraw/zinc/18/33/93/433183393.db2.gz XXXHZQLSNUMOMP-OAHLLOKOSA-N 0 0 302.422 3.029 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000361475819 433193881 /nfs/dbraw/zinc/19/38/81/433193881.db2.gz NKLNGIAFOORYLQ-SFHVURJKSA-N 0 0 311.381 3.295 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453453450 433194879 /nfs/dbraw/zinc/19/48/79/433194879.db2.gz VLLOBMXUIJVUGK-GOSISDBHSA-N 0 0 318.465 3.060 10 30 DGEERN C=C(C)Cn1c(N(CC)CC2CC2)nnc1[C@@]1(C)CCCO1 ZINC000453465891 433200812 /nfs/dbraw/zinc/20/08/12/433200812.db2.gz NKGJWLVYMGLRTO-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465703 433201950 /nfs/dbraw/zinc/20/19/50/433201950.db2.gz MUQQCCAOONREAW-CRAIPNDOSA-N 0 0 316.449 3.116 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447447017 433203168 /nfs/dbraw/zinc/20/31/68/433203168.db2.gz ITPIMSRGVZFLMI-SFHVURJKSA-N 0 0 322.368 3.271 10 30 DGEERN Cn1ccc([C@H](NCc2ccc(C#N)cc2)c2ccc(F)cc2)n1 ZINC000374525015 433211285 /nfs/dbraw/zinc/21/12/85/433211285.db2.gz XGKACGWEGBDZFO-LJQANCHMSA-N 0 0 320.371 3.310 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CC=C(COC)CC1 ZINC000290975542 433215647 /nfs/dbraw/zinc/21/56/47/433215647.db2.gz JAHAXWLVSSUACU-UHFFFAOYSA-N 0 0 318.465 3.226 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000291416511 433238108 /nfs/dbraw/zinc/23/81/08/433238108.db2.gz FSTGNNXHPLNDNH-HNNXBMFYSA-N 0 0 319.424 3.260 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000337565547 433245005 /nfs/dbraw/zinc/24/50/05/433245005.db2.gz QDBFKMHOLAFGMF-JTQLQIEISA-N 0 0 322.206 3.410 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000420781218 433255933 /nfs/dbraw/zinc/25/59/33/433255933.db2.gz ASIKWIQVHCYLDW-CVEARBPZSA-N 0 0 318.417 3.008 10 30 DGEERN CCCCCCCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374758633 433271008 /nfs/dbraw/zinc/27/10/08/433271008.db2.gz CVKCZSXHGQONGO-DOTOQJQBSA-N 0 0 311.466 3.031 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC000453950686 433272383 /nfs/dbraw/zinc/27/23/83/433272383.db2.gz LDAGRLGBPMHSMN-HOTGVXAUSA-N 0 0 314.429 3.152 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC000281366243 433288191 /nfs/dbraw/zinc/28/81/91/433288191.db2.gz KXKONXQTCZOKHU-FDFOOHLBSA-N 0 0 303.377 3.326 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000425564729 433302213 /nfs/dbraw/zinc/30/22/13/433302213.db2.gz MHOVURZCAMESKJ-KCMWZYNZSA-N 0 0 314.429 3.119 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1c(F)cccc1F ZINC000425566993 433305578 /nfs/dbraw/zinc/30/55/78/433305578.db2.gz COXHIVMMRWPKMV-LRDDRELGSA-N 0 0 324.371 3.087 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000425584230 433311789 /nfs/dbraw/zinc/31/17/89/433311789.db2.gz PJVDNZQYLKFLAU-NOLJZWGESA-N 0 0 306.381 3.119 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2c1cccc2F ZINC000281689494 433348902 /nfs/dbraw/zinc/34/89/02/433348902.db2.gz HKLDIEWBRSHVRU-ZLIFDBKOSA-N 0 0 318.392 3.093 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000299255478 433358217 /nfs/dbraw/zinc/35/82/17/433358217.db2.gz AXXWPZUSMNLFER-UHFFFAOYSA-N 0 0 323.261 3.407 10 30 DGEERN N#Cc1cnccc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000375096504 433360586 /nfs/dbraw/zinc/36/05/86/433360586.db2.gz HUEAGLOGRQMTSP-OAHLLOKOSA-N 0 0 307.353 3.066 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)CC(F)F ZINC000425864641 433364101 /nfs/dbraw/zinc/36/41/01/433364101.db2.gz ZNQLJMJTTOQNEF-GJZGRUSLSA-N 0 0 324.371 3.054 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOc1ccc(OC)cc1 ZINC000299439501 433368167 /nfs/dbraw/zinc/36/81/67/433368167.db2.gz SEQHIYQZPFQVEJ-UHFFFAOYSA-N 0 0 317.307 3.041 10 30 DGEERN C=CCCCNC(=O)NCCc1ccccc1OC(F)(F)F ZINC000447960389 433331682 /nfs/dbraw/zinc/33/16/82/433331682.db2.gz YQMGKCBTTITLCS-UHFFFAOYSA-N 0 0 316.323 3.393 10 30 DGEERN C=CCCCNC(=O)NCCc1ccc(Br)s1 ZINC000447969376 433337038 /nfs/dbraw/zinc/33/70/38/433337038.db2.gz WKELZPLJYMXULW-UHFFFAOYSA-N 0 0 317.252 3.319 10 30 DGEERN C=CCCCNC(=O)NCc1ccccc1OC(F)(F)F ZINC000447984056 433338065 /nfs/dbraw/zinc/33/80/65/433338065.db2.gz VZTZAXJTGGOOSR-UHFFFAOYSA-N 0 0 302.296 3.351 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](O)CC(C)(C)C ZINC000413992793 433339909 /nfs/dbraw/zinc/33/99/09/433339909.db2.gz YMDHMBKKSKXGER-SJORKVTESA-N 0 0 303.446 3.477 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](O)CC(C)(C)C ZINC000413992791 433341692 /nfs/dbraw/zinc/34/16/92/433341692.db2.gz YMDHMBKKSKXGER-IRXDYDNUSA-N 0 0 303.446 3.477 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000426048324 433412033 /nfs/dbraw/zinc/41/20/33/433412033.db2.gz ISCXBGQPRAGNRB-HUUCEWRRSA-N 0 0 304.438 3.238 10 30 DGEERN C=CCCCNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000448543818 433418936 /nfs/dbraw/zinc/41/89/36/433418936.db2.gz UIIJJSUIJICQMV-UHFFFAOYSA-N 0 0 310.397 3.150 10 30 DGEERN N#Cc1nccnc1N[C@H]1CCc2cc(Br)ccc21 ZINC000301162719 433437429 /nfs/dbraw/zinc/43/74/29/433437429.db2.gz HTHQCPJJIKNHSO-LBPRGKRZSA-N 0 0 315.174 3.210 10 30 DGEERN N#Cc1ccc(N[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301189949 433446497 /nfs/dbraw/zinc/44/64/97/433446497.db2.gz LVMIXXYSKUQPTP-CQSZACIVSA-N 0 0 308.341 3.157 10 30 DGEERN COc1cc(C)c(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1OC ZINC000361949979 433466978 /nfs/dbraw/zinc/46/69/78/433466978.db2.gz SXGIOXGJWHIMEB-QGZVFWFLSA-N 0 0 304.390 3.070 10 30 DGEERN C=CCN(CCOC)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000361972919 433476963 /nfs/dbraw/zinc/47/69/63/433476963.db2.gz UWGCNFKBMFJMNZ-UHFFFAOYSA-N 0 0 322.453 3.329 10 30 DGEERN C=C(C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000454730582 433524320 /nfs/dbraw/zinc/52/43/20/433524320.db2.gz IJOTVDSTZMSPEY-HOTGVXAUSA-N 0 0 321.852 3.351 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1nn(C2CCCCC2)cc1C ZINC000455129948 433533650 /nfs/dbraw/zinc/53/36/50/433533650.db2.gz XDHRIXXUCSIICD-UHFFFAOYSA-N 0 0 304.438 4.030 10 30 DGEERN C=CCC1(C(=O)NCc2cccnc2N(C)C)CCCCC1 ZINC000448699033 433498812 /nfs/dbraw/zinc/49/88/12/433498812.db2.gz SABQBIGMJWOQFB-UHFFFAOYSA-N 0 0 301.434 3.290 10 30 DGEERN C=CCC(C)(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000292325129 433553356 /nfs/dbraw/zinc/55/33/56/433553356.db2.gz RNFDOXBWNIEJQD-UHFFFAOYSA-N 0 0 314.429 3.422 10 30 DGEERN C=CCOc1ccccc1C[NH2+]Cc1ccccc1CC(=O)[O-] ZINC000426712522 433568177 /nfs/dbraw/zinc/56/81/77/433568177.db2.gz XNXBNAVFDHBZKM-UHFFFAOYSA-N 0 0 311.381 3.168 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1 ZINC000426726540 433576117 /nfs/dbraw/zinc/57/61/17/433576117.db2.gz KIVLPUQTQOOLMF-AEFFLSMTSA-N 0 0 303.402 3.375 10 30 DGEERN C=CCN(Cc1cnc(CC)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000414386718 433589195 /nfs/dbraw/zinc/58/91/95/433589195.db2.gz XZXNQQNVDLLDDX-UHFFFAOYSA-N 0 0 312.373 3.135 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1c(C)nn(C(C)C)c1C ZINC000292754107 433591788 /nfs/dbraw/zinc/59/17/88/433591788.db2.gz OACFERJBDAERKZ-UHFFFAOYSA-N 0 0 317.355 3.200 10 30 DGEERN C=CCC1(NC(=O)Cn2c(=O)[nH]c3ccccc32)CCCCC1 ZINC000456382523 433634219 /nfs/dbraw/zinc/63/42/19/433634219.db2.gz NNMFKNYSLMMZJY-UHFFFAOYSA-N 0 0 313.401 3.137 10 30 DGEERN C=CCC1(NC(=O)c2ccc(-n3cncn3)cc2)CCCCC1 ZINC000456390389 433637188 /nfs/dbraw/zinc/63/71/88/433637188.db2.gz YTMSVQKWRDSXHJ-UHFFFAOYSA-N 0 0 310.401 3.276 10 30 DGEERN C=C(C)[C@@H](NC(=O)[C@H](C)c1ccnn1C)c1ccc(F)c(F)c1 ZINC000421527082 433609873 /nfs/dbraw/zinc/60/98/73/433609873.db2.gz IJKFJCXVHKEFEH-BDJLRTHQSA-N 0 0 319.355 3.235 10 30 DGEERN C=CC[C@H](C)NC(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000356580717 433616947 /nfs/dbraw/zinc/61/69/47/433616947.db2.gz RAWKZQMTCUWEAP-NSHDSACASA-N 0 0 309.793 3.392 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000282645057 433624185 /nfs/dbraw/zinc/62/41/85/433624185.db2.gz QCYGNQTVCGDFIV-SNVBAGLBSA-N 0 0 300.328 3.120 10 30 DGEERN Cc1cc(NCc2cnn(Cc3ccccc3)c2)c(C#N)c(C)n1 ZINC000301673601 433671220 /nfs/dbraw/zinc/67/12/20/433671220.db2.gz OUTOOVHFQNGWJR-UHFFFAOYSA-N 0 0 317.396 3.427 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414515492 433679347 /nfs/dbraw/zinc/67/93/47/433679347.db2.gz MFHGUXSLTLYSTP-KRWDZBQOSA-N 0 0 324.428 3.136 10 30 DGEERN C=CCC[C@H](C(=O)N1CC(OCCCOC)C1)c1ccccc1 ZINC000427238105 433682946 /nfs/dbraw/zinc/68/29/46/433682946.db2.gz SXPHQSCLQQNIAR-SFHVURJKSA-N 0 0 317.429 3.000 10 30 DGEERN CCCc1occc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000366958450 293007948 /nfs/dbraw/zinc/00/79/48/293007948.db2.gz KXQAUMGLZARDCG-UHFFFAOYSA-N 0 0 310.353 3.007 10 30 DGEERN CC(C)[C@H](Nc1ncccc1C#N)c1nc(-c2cccnc2)no1 ZINC000301730136 433700328 /nfs/dbraw/zinc/70/03/28/433700328.db2.gz XAYPYNKPAANBBJ-AWEZNQCLSA-N 0 0 320.356 3.207 10 30 DGEERN CC#CCNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000376255067 433701668 /nfs/dbraw/zinc/70/16/68/433701668.db2.gz NSHNEHXFNHODGS-INIZCTEOSA-N 0 0 306.356 3.281 10 30 DGEERN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414543367 433706753 /nfs/dbraw/zinc/70/67/53/433706753.db2.gz SXVPXJAVPVPOTC-ZBFHGGJFSA-N 0 0 318.465 3.373 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000293382445 433721504 /nfs/dbraw/zinc/72/15/04/433721504.db2.gz QXPWKONLTNPFSF-HUUCEWRRSA-N 0 0 304.409 3.371 10 30 DGEERN C=CCc1ccc(OCC(=O)N2C[C@@H](C)CC[C@@H]2C)c(OC)c1 ZINC000362514646 433732262 /nfs/dbraw/zinc/73/22/62/433732262.db2.gz YWQSMGCLNFLYNA-GJZGRUSLSA-N 0 0 317.429 3.450 10 30 DGEERN C#CCC1(C(=O)N2CC[C@@H](Cc3ccncc3)C2)CCCCC1 ZINC000376410065 433732984 /nfs/dbraw/zinc/73/29/84/433732984.db2.gz BEXZHHVATVEIPI-SFHVURJKSA-N 0 0 310.441 3.446 10 30 DGEERN C#CCCNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000376457128 433744305 /nfs/dbraw/zinc/74/43/05/433744305.db2.gz BPDPOLAAPLNRRW-NSHDSACASA-N 0 0 313.184 3.140 10 30 DGEERN C=CCn1c(Sc2cccc(C#N)n2)nnc1-c1ccco1 ZINC000301843805 433754818 /nfs/dbraw/zinc/75/48/18/433754818.db2.gz LDSKJEJEHWXBTR-UHFFFAOYSA-N 0 0 309.354 3.142 10 30 DGEERN COc1cccc([C@@H]2C[C@H](O)CN2c2ccc(F)cc2C#N)c1 ZINC000283673021 433761787 /nfs/dbraw/zinc/76/17/87/433761787.db2.gz YJMQARBSOLMJPI-YJBOKZPZSA-N 0 0 312.344 3.018 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]1CSc2ccccc2O1 ZINC000449828460 433824288 /nfs/dbraw/zinc/82/42/88/433824288.db2.gz XEDPQCBLZKWRMD-CXAGYDPISA-N 0 0 318.442 3.374 10 30 DGEERN C=C[C@H](C)NC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000362612477 433789437 /nfs/dbraw/zinc/78/94/37/433789437.db2.gz HUKMXYKFANJVDS-JTQLQIEISA-N 0 0 321.218 3.403 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000376750518 433807693 /nfs/dbraw/zinc/80/76/93/433807693.db2.gz SOPIGYXWTDLRPN-MRXNPFEDSA-N 0 0 308.406 3.012 10 30 DGEERN C=CC[C@@H](CO)Nc1ccc2cc(Br)ccc2n1 ZINC000302117529 433811821 /nfs/dbraw/zinc/81/18/21/433811821.db2.gz DJSVTOCUCOCSAL-LBPRGKRZSA-N 0 0 307.191 3.346 10 30 DGEERN C=CCO[C@@H]1CCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000302118758 433812306 /nfs/dbraw/zinc/81/23/06/433812306.db2.gz CWJIJSKAUVQWJH-LLVKDONJSA-N 0 0 305.328 3.349 10 30 DGEERN Cn1nccc1[C@H]1OCC[C@H]1CNc1c(Cl)cccc1C#N ZINC000362662961 433813319 /nfs/dbraw/zinc/81/33/19/433813319.db2.gz KCUVNYQDSLYDCS-LRDDRELGSA-N 0 0 316.792 3.135 10 30 DGEERN CC1(CCNc2ccc(C#N)c(C(F)(F)F)c2)OCCO1 ZINC000302169077 433816736 /nfs/dbraw/zinc/81/67/36/433816736.db2.gz SZVOKCAQXZRCFV-UHFFFAOYSA-N 0 0 300.280 3.142 10 30 DGEERN C=C[C@@](C)(O)CC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000456780020 433822351 /nfs/dbraw/zinc/82/23/51/433822351.db2.gz RKVJEYXYHOBZNW-QGZVFWFLSA-N 0 0 305.393 3.079 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421972464 433827826 /nfs/dbraw/zinc/82/78/26/433827826.db2.gz BULIJDXSWPLYOK-SOUVJXGZSA-N 0 0 309.450 3.415 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000376962572 433840936 /nfs/dbraw/zinc/84/09/36/433840936.db2.gz VSICPWNTONUTPH-HXUWFJFHSA-N 0 0 322.452 3.085 10 30 DGEERN C[C@@H](CN1CCN(C2CC2)[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000377010933 433844854 /nfs/dbraw/zinc/84/48/54/433844854.db2.gz WTNNANPOWSVLMI-SUMWQHHRSA-N 0 0 303.837 3.116 10 30 DGEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccc(F)c(F)c1 ZINC000302753116 433854295 /nfs/dbraw/zinc/85/42/95/433854295.db2.gz VUIDXZBAVDRHGN-QMMMGPOBSA-N 0 0 304.256 3.313 10 30 DGEERN N#Cc1cc(=NOC[C@@H]2CCOC2)[nH]c2ccc(Cl)cc12 ZINC000302766258 433856073 /nfs/dbraw/zinc/85/60/73/433856073.db2.gz LOPQXMDYMTUFRH-SNVBAGLBSA-N 0 0 303.749 3.140 10 30 DGEERN C=CC(C)(C)C(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000449900730 433862586 /nfs/dbraw/zinc/86/25/86/433862586.db2.gz FKZMLKXDPCBVLC-UHFFFAOYSA-N 0 0 306.475 3.167 10 30 DGEERN C=CCCCCCN(C)c1nnc(Cc2ccccn2)n1CC ZINC000284573625 433897171 /nfs/dbraw/zinc/89/71/71/433897171.db2.gz ZCUTZGUQVJDELF-UHFFFAOYSA-N 0 0 313.449 3.466 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000293941019 433933601 /nfs/dbraw/zinc/93/36/01/433933601.db2.gz ICCIYLLRCOKBLM-GOEBONIOSA-N 0 0 307.340 3.369 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000363002963 433946458 /nfs/dbraw/zinc/94/64/58/433946458.db2.gz ZSOJNWGPKAYMBK-UHFFFAOYSA-N 0 0 317.429 3.420 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000450106616 433972382 /nfs/dbraw/zinc/97/23/82/433972382.db2.gz ORSSOXFGVPHUTI-UHFFFAOYSA-N 0 0 309.369 3.378 10 30 DGEERN C=CCc1cc(-c2nc(-c3ccon3)no2)cc(OC)c1OC ZINC000357381904 433981371 /nfs/dbraw/zinc/98/13/71/433981371.db2.gz VDZDHFVHJBDPKB-UHFFFAOYSA-N 0 0 313.313 3.137 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000450125534 433984054 /nfs/dbraw/zinc/98/40/54/433984054.db2.gz FPVIGHGYAZCAJW-CYBMUJFWSA-N 0 0 313.323 3.138 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000377812248 434004493 /nfs/dbraw/zinc/00/44/93/434004493.db2.gz UNROSQZFENDWKZ-IUODEOHRSA-N 0 0 302.349 3.244 10 30 DGEERN C=CC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000450286942 434079435 /nfs/dbraw/zinc/07/94/35/434079435.db2.gz MVZRGPFJVNMRFI-LSDHHAIUSA-N 0 0 306.837 3.414 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(OC)cc1 ZINC000285943345 434114285 /nfs/dbraw/zinc/11/42/85/434114285.db2.gz UZMPYSSSNXZZKV-IBGZPJMESA-N 0 0 321.420 3.379 10 30 DGEERN C=CCCCN(C)C(=O)Cc1cscc1Br ZINC000294888752 434149699 /nfs/dbraw/zinc/14/96/99/434149699.db2.gz DVVQSVFLHAOECY-UHFFFAOYSA-N 0 0 302.237 3.478 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC000295059882 434174245 /nfs/dbraw/zinc/17/42/45/434174245.db2.gz CCYNXAGWQHBMMZ-HOCLYGCPSA-N 0 0 312.369 3.053 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)COC(C)(C)CC ZINC000457504279 434207639 /nfs/dbraw/zinc/20/76/39/434207639.db2.gz SFKTVWFQHKURKL-UHFFFAOYSA-N 0 0 320.389 3.315 10 30 DGEERN N#Cc1cc(F)c(NC[C@@H]2CCC[C@H]2O)cc1Br ZINC000380593023 434263858 /nfs/dbraw/zinc/26/38/58/434263858.db2.gz DVAOAFFTSVIJNR-ISVAXAHUSA-N 0 0 313.170 3.033 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000364621296 434276572 /nfs/dbraw/zinc/27/65/72/434276572.db2.gz HEZQYWPPEXIACG-BBRMVZONSA-N 0 0 308.447 3.174 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCc1ccc(C)cc1 ZINC000437509259 434275490 /nfs/dbraw/zinc/27/54/90/434275490.db2.gz UMMJVYNLSQKMTD-HKUYNNGSSA-N 0 0 301.430 3.415 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457552518 434237020 /nfs/dbraw/zinc/23/70/20/434237020.db2.gz CLNZBCTYRGMPFA-UHFFFAOYSA-N 0 0 302.418 3.296 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364812954 434282278 /nfs/dbraw/zinc/28/22/78/434282278.db2.gz RNFZDNKVHCRPHJ-RTBURBONSA-N 0 0 322.408 3.346 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC000437528058 434284478 /nfs/dbraw/zinc/28/44/78/434284478.db2.gz UBXPBEOCBQDHFE-GUYCJALGSA-N 0 0 307.821 3.288 10 30 DGEERN O=C(Nc1cc(Cl)c(Cl)cn1)N1CC[C@@]2(CCOC2)C1 ZINC000328594375 434287842 /nfs/dbraw/zinc/28/78/42/434287842.db2.gz GLYVFGGURWBUCQ-CYBMUJFWSA-N 0 0 316.188 3.046 10 30 DGEERN C#CCCCC(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000365401698 434299929 /nfs/dbraw/zinc/29/99/29/434299929.db2.gz GLXJCVBYFARVMF-PMPSAXMXSA-N 0 0 319.445 3.291 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N([C@@H](C)C(C)C)C1CC1)CCC2 ZINC000328701235 434302630 /nfs/dbraw/zinc/30/26/30/434302630.db2.gz IZHAYFZYDHEVKT-GJZGRUSLSA-N 0 0 318.465 3.492 10 30 DGEERN O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328728446 434303946 /nfs/dbraw/zinc/30/39/46/434303946.db2.gz DWHMORNKCVWRPI-RRFJBIMHSA-N 0 0 313.401 3.088 10 30 DGEERN CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000328740181 434305515 /nfs/dbraw/zinc/30/55/15/434305515.db2.gz LPQABMQOPVYURD-DGCLKSJQSA-N 0 0 301.394 3.176 10 30 DGEERN Cn1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812486 434309041 /nfs/dbraw/zinc/30/90/41/434309041.db2.gz DNUBEIFMBXDTNY-MZMPZRCHSA-N 0 0 312.392 3.321 10 30 DGEERN N#Cc1cc(Br)cnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000386460315 434314442 /nfs/dbraw/zinc/31/44/42/434314442.db2.gz FVALSPFMOXEBNE-GHMZBOCLSA-N 0 0 306.207 3.342 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccnc1 ZINC000287284396 434324429 /nfs/dbraw/zinc/32/44/29/434324429.db2.gz VRXHAUMLWHGDSI-QAPCUYQASA-N 0 0 307.397 3.076 10 30 DGEERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329126218 434362230 /nfs/dbraw/zinc/36/22/30/434362230.db2.gz MOUDGJVHJJHWCB-ZACQAIPSSA-N 0 0 318.392 3.274 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCSCC[C@@H]1C ZINC000287471492 434370321 /nfs/dbraw/zinc/37/03/21/434370321.db2.gz RUGTUQIIKVVGFB-DOTOQJQBSA-N 0 0 316.470 3.158 10 30 DGEERN CCn1nccc1NC(=O)NC1(c2nc(C)cs2)CCC1 ZINC000329212107 434374921 /nfs/dbraw/zinc/37/49/21/434374921.db2.gz HOEUVYJBZJEAAE-UHFFFAOYSA-N 0 0 305.407 3.073 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1Cc2ccccc21 ZINC000358212165 434384079 /nfs/dbraw/zinc/38/40/79/434384079.db2.gz LXKBFLHSBJIQPU-SFHVURJKSA-N 0 0 322.364 3.449 10 30 DGEERN C[C@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)C1CC1 ZINC000329287149 434387588 /nfs/dbraw/zinc/38/75/88/434387588.db2.gz POLSXPILVINUND-BIMULSAOSA-N 0 0 305.378 3.170 10 30 DGEERN C=CCC1(C(=O)N2CC[S@@](=O)C(CC)(CC)C2)CCCC1 ZINC000450682754 434340087 /nfs/dbraw/zinc/34/00/87/434340087.db2.gz QIMSQHVYFYWDOA-OAQYLSRUSA-N 0 0 311.491 3.273 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)C)nn1C ZINC000287362829 434343229 /nfs/dbraw/zinc/34/32/29/434343229.db2.gz NUSVPGBZWOFZQF-MRXNPFEDSA-N 0 0 323.440 3.082 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000366179709 434350407 /nfs/dbraw/zinc/35/04/07/434350407.db2.gz DXVWIFWYINHUCG-MUQADHOPSA-N 0 0 304.434 3.267 10 30 DGEERN O=C(NCCOC1CCCC1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329624413 434445296 /nfs/dbraw/zinc/44/52/96/434445296.db2.gz UYSRWMIWSIOWBT-KRWDZBQOSA-N 0 0 324.465 3.141 10 30 DGEERN C[C@H](NC(=O)CC1CCCCC1)c1nc(Cn2cccn2)no1 ZINC000329335383 434394755 /nfs/dbraw/zinc/39/47/55/434394755.db2.gz LDORHYOMCNSEFN-LBPRGKRZSA-N 0 0 317.393 3.302 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000417449669 434394753 /nfs/dbraw/zinc/39/47/53/434394753.db2.gz BYPJDXXYRMJFKF-KKUMJFAQSA-N 0 0 314.433 3.323 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000438073977 434394819 /nfs/dbraw/zinc/39/48/19/434394819.db2.gz LXIGXGSYJXUVKJ-AOIWGVFYSA-N 0 0 318.461 3.500 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000438067946 434395481 /nfs/dbraw/zinc/39/54/81/434395481.db2.gz QYLBXKQCTWEUFD-HOCLYGCPSA-N 0 0 322.836 3.463 10 30 DGEERN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1O ZINC000358587985 434399669 /nfs/dbraw/zinc/39/96/69/434399669.db2.gz LJRTVHPPVXJOJG-LLVKDONJSA-N 0 0 300.333 3.262 10 30 DGEERN Cn1c2ccc(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)cc2nc1C1CC1 ZINC000329398923 434404278 /nfs/dbraw/zinc/40/42/78/434404278.db2.gz XEAFKPVEFFVMAC-MAZHCROVSA-N 0 0 311.385 3.464 10 30 DGEERN C=CCC[C@@H](NC(=O)N[C@@](C)(CO)C(C)C)c1ccccc1 ZINC000358800400 434405185 /nfs/dbraw/zinc/40/51/85/434405185.db2.gz BIACSGCEDCAPAQ-AEFFLSMTSA-N 0 0 304.434 3.400 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000287610928 434408172 /nfs/dbraw/zinc/40/81/72/434408172.db2.gz ZGJDBXTXQWNTCC-QFBILLFUSA-N 0 0 321.424 3.419 10 30 DGEERN Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000329471210 434417569 /nfs/dbraw/zinc/41/75/69/434417569.db2.gz YVHMGPOWLUJCGM-CMPLNLGQSA-N 0 0 300.362 3.270 10 30 DGEERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000329494082 434422757 /nfs/dbraw/zinc/42/27/57/434422757.db2.gz ULPNCRPECZNTSF-TZNCUMHOSA-N 0 0 314.429 3.394 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329606969 434439422 /nfs/dbraw/zinc/43/94/22/434439422.db2.gz CFMCGQXCESNAPS-ZBEGNZNMSA-N 0 0 317.433 3.401 10 30 DGEERN C#Cc1ccccc1CC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000295869396 434441617 /nfs/dbraw/zinc/44/16/17/434441617.db2.gz FRBFAXQHPSZYLP-DOMZBBRYSA-N 0 0 309.331 3.400 10 30 DGEERN C[C@@H](C#N)CN(C)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000438359968 434468704 /nfs/dbraw/zinc/46/87/04/434468704.db2.gz BDRVGTYRBQOHSY-DOPJRALCSA-N 0 0 307.397 3.497 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000417630189 434475182 /nfs/dbraw/zinc/47/51/82/434475182.db2.gz UBMSFNRNUIFQOB-NSHDSACASA-N 0 0 303.280 3.094 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCc2cc(F)c(F)cc21 ZINC000438450312 434479765 /nfs/dbraw/zinc/47/97/65/434479765.db2.gz FJPXPNHDYGGHSO-MLGOLLRUSA-N 0 0 322.355 3.018 10 30 DGEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H]2CCCCC23CCCC3)C1 ZINC000329807897 434482710 /nfs/dbraw/zinc/48/27/10/434482710.db2.gz LTOYUOXJNTWWPZ-IHRRRGAJSA-N 0 0 323.437 3.028 10 30 DGEERN C[C@@H]1CCN(C(=O)Nc2cn(C)nc2C2CC2)CC12CCC2 ZINC000329637096 434449432 /nfs/dbraw/zinc/44/94/32/434449432.db2.gz VMJASRHCYZRENK-GFCCVEGCSA-N 0 0 302.422 3.355 10 30 DGEERN CC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000329660762 434451612 /nfs/dbraw/zinc/45/16/12/434451612.db2.gz OGUBLHVKJMVWFF-ZNMIVQPWSA-N 0 0 314.433 3.371 10 30 DGEERN COc1ccc(C#N)cc1CN1CCCC[C@H]1c1ccnn1C ZINC000366887848 434529135 /nfs/dbraw/zinc/52/91/35/434529135.db2.gz UIWZEJBJEDWGFJ-KRWDZBQOSA-N 0 0 310.401 3.028 10 30 DGEERN Cn1ncc(C(=O)N[C@H]2CC(C)(C)CCc3ccccc32)c1C#N ZINC000407975873 434531416 /nfs/dbraw/zinc/53/14/16/434531416.db2.gz RMDXTXVKPMDIPG-INIZCTEOSA-N 0 0 322.412 3.125 10 30 DGEERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C#N ZINC000367012031 434536083 /nfs/dbraw/zinc/53/60/83/434536083.db2.gz VXQKDEGWUHNERV-DNVCBOLYSA-N 0 0 320.392 3.469 10 30 DGEERN Cc1sc2nc(CN3CCC(C)(C#N)CC3)nc(N)c2c1C ZINC000408157610 434547295 /nfs/dbraw/zinc/54/72/95/434547295.db2.gz DWKKGOMVJLAIOR-UHFFFAOYSA-N 0 0 315.446 3.016 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1nc2c(s1)CCCCC2 ZINC000408230287 434553651 /nfs/dbraw/zinc/55/36/51/434553651.db2.gz AIBQGDPHQYMTDI-WDEREUQCSA-N 0 0 304.419 3.226 10 30 DGEERN Cc1ccc2[nH]c3c(c2c1)CN(c1nc(C)cc(C#N)n1)CC3 ZINC000367716132 434555624 /nfs/dbraw/zinc/55/56/24/434555624.db2.gz NYDYEKSMBWEAKZ-UHFFFAOYSA-N 0 0 303.369 3.009 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000367744490 434556538 /nfs/dbraw/zinc/55/65/38/434556538.db2.gz BSGXUBCGWYMLHL-LRVUVFPRSA-N 0 0 320.437 3.448 10 30 DGEERN Cc1csc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1Br ZINC000408357250 434566621 /nfs/dbraw/zinc/56/66/21/434566621.db2.gz JWIFCTYVBGNFLC-DTWKUNHWSA-N 0 0 313.220 3.241 10 30 DGEERN Cc1cc(NC(=O)N2CCCC2(C)C)c(C#N)cc1N(C)C ZINC000408409480 434571487 /nfs/dbraw/zinc/57/14/87/434571487.db2.gz ZBQWTMMXPCMGFL-UHFFFAOYSA-N 0 0 300.406 3.339 10 30 DGEERN CC1(C)CCCN(C(=O)c2ccc3c(c2O)CCCC3)[C@H]1C#N ZINC000408417058 434573180 /nfs/dbraw/zinc/57/31/80/434573180.db2.gz XBQVVYPCVGEHNT-INIZCTEOSA-N 0 0 312.413 3.425 10 30 DGEERN CC1(C#N)CCN(C(=O)C2CC(OCc3ccccc3)C2)CC1 ZINC000368428400 434574255 /nfs/dbraw/zinc/57/42/55/434574255.db2.gz FQEHIUKKUXZFNO-UHFFFAOYSA-N 0 0 312.413 3.134 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000368505487 434574676 /nfs/dbraw/zinc/57/46/76/434574676.db2.gz VWGLRWIQEFGWBP-CYBMUJFWSA-N 0 0 323.387 3.151 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000369320615 434592443 /nfs/dbraw/zinc/59/24/43/434592443.db2.gz ZQRQZCCDSNCNMA-IEBWSBKVSA-N 0 0 322.408 3.346 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C2CC2)C1 ZINC000424130251 434631097 /nfs/dbraw/zinc/63/10/97/434631097.db2.gz USPCQJPQECQBIJ-KBPBESRZSA-N 0 0 304.463 3.269 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C2CC2)C1 ZINC000424130255 434631200 /nfs/dbraw/zinc/63/12/00/434631200.db2.gz USPCQJPQECQBIJ-ZIAGYGMSSA-N 0 0 304.463 3.269 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000410066907 434632619 /nfs/dbraw/zinc/63/26/19/434632619.db2.gz HFPZUYKCMAXQGQ-PMACEKPBSA-N 0 0 323.436 3.456 10 30 DGEERN CCOC(=O)CN(Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000439449537 434606392 /nfs/dbraw/zinc/60/63/92/434606392.db2.gz JDOULBCVIVNKKI-UHFFFAOYSA-N 0 0 306.793 3.129 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCSC[C@@H]1C ZINC000424230497 434663781 /nfs/dbraw/zinc/66/37/81/434663781.db2.gz ACNSEAUPARCKPV-STQMWFEESA-N 0 0 324.519 3.364 10 30 DGEERN 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ZINC000557626630 435060305 /nfs/dbraw/zinc/06/03/05/435060305.db2.gz RYZIIWVAZNFHMQ-AWEZNQCLSA-N 0 0 315.417 3.210 10 30 DGEERN C=CCC1(C(=O)NCC2(O)Cc3ccccc3C2)CCCCC1 ZINC000577823492 435062435 /nfs/dbraw/zinc/06/24/35/435062435.db2.gz QDGAPFJEAYCOMT-UHFFFAOYSA-N 0 0 313.441 3.159 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@H](O)CC23CCC3)c1 ZINC000557677999 435063597 /nfs/dbraw/zinc/06/35/97/435063597.db2.gz LXXOEQGCUBFPDT-HNNXBMFYSA-N 0 0 316.401 3.163 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466321866 435072261 /nfs/dbraw/zinc/07/22/61/435072261.db2.gz AQDMEOZDZYXFDF-ROUUACIJSA-N 0 0 315.461 3.257 10 30 DGEERN COc1ccc(Cl)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531146939 435075157 /nfs/dbraw/zinc/07/51/57/435075157.db2.gz QUEUJIQMEWLXRO-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN CC(C)(CNC(=O)Cc1cccc(C#N)c1)c1ccccc1F ZINC000531154515 435076807 /nfs/dbraw/zinc/07/68/07/435076807.db2.gz IUHQDTKPBGFHBH-UHFFFAOYSA-N 0 0 310.372 3.334 10 30 DGEERN C=CCCCC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000466532883 435082564 /nfs/dbraw/zinc/08/25/64/435082564.db2.gz ULRIPRPGJNCFSX-HNNXBMFYSA-N 0 0 323.820 3.287 10 30 DGEERN CCOC(=O)c1c(C=O)c(C#N)ccc1SC(F)(F)F ZINC000575391900 435035060 /nfs/dbraw/zinc/03/50/60/435035060.db2.gz YYXHOHUJLIVOOD-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(SC(F)(F)F)c1OC ZINC000575394106 435035262 /nfs/dbraw/zinc/03/52/62/435035262.db2.gz BJTRHVMNFDJALT-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCc1cc(C#N)cc(CC(=O)OC)c1SC(F)(F)F ZINC000575390159 435035470 /nfs/dbraw/zinc/03/54/70/435035470.db2.gz XFGOJHNMUHMDBY-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)Cc1c(OC)ccc(SC(F)(F)F)c1C#N ZINC000575394582 435035478 /nfs/dbraw/zinc/03/54/78/435035478.db2.gz LCBDYXLKGXGTQC-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCc1c(CC(=O)OC)cc(C#N)cc1SC(F)(F)F ZINC000575389847 435035632 /nfs/dbraw/zinc/03/56/32/435035632.db2.gz RZDJFSVGBOKNOZ-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(OC)c1C#N ZINC000575394576 435035650 /nfs/dbraw/zinc/03/56/50/435035650.db2.gz KIYYNSLVEDNIKV-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1cc(F)c(SC(F)(F)F)cc1C#N ZINC000575390637 435035757 /nfs/dbraw/zinc/03/57/57/435035757.db2.gz JIWNKOFYMCDENY-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(SC(F)(F)F)c1C=O ZINC000575391766 435035800 /nfs/dbraw/zinc/03/58/00/435035800.db2.gz SYDMHBGCWGRWDS-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCc1c(SC(F)(F)F)ccc(CC(=O)OC)c1C#N ZINC000575389856 435035839 /nfs/dbraw/zinc/03/58/39/435035839.db2.gz SNNIMIJTOIGLAR-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529673499 435039178 /nfs/dbraw/zinc/03/91/78/435039178.db2.gz AFDBQXIWEJYVQS-ZDUSSCGKSA-N 0 0 301.434 3.261 10 30 DGEERN Cc1cc(OC(F)F)c(I)cc1C#N ZINC000575664034 435040572 /nfs/dbraw/zinc/04/05/72/435040572.db2.gz SXJRSKLAZJYVGQ-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1cc(I)c(C#N)cc1OC(F)F ZINC000575664240 435040874 /nfs/dbraw/zinc/04/08/74/435040874.db2.gz VNIAIQYUJCUIKG-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCOc1c(C#N)cc(I)cc1C(F)F ZINC000575668400 435042377 /nfs/dbraw/zinc/04/23/77/435042377.db2.gz WWDUUOABGWQISS-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN C=CCC1(CN2C(=O)[C@H]3c4ccoc4CCN3C2=O)CCCC1 ZINC000530201724 435043820 /nfs/dbraw/zinc/04/38/20/435043820.db2.gz QDGIHAYZMSOGCC-OAHLLOKOSA-N 0 0 314.385 3.278 10 30 DGEERN CCOc1c(I)cc(CC)cc1CC#N ZINC000575694126 435045630 /nfs/dbraw/zinc/04/56/30/435045630.db2.gz CDGZFXMKTAYDJA-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN N#Cc1cccc(CC(=O)NCc2ccccc2OCC2CC2)c1 ZINC000530674478 435046726 /nfs/dbraw/zinc/04/67/26/435046726.db2.gz BCMJZZLTINDPSN-UHFFFAOYSA-N 0 0 320.392 3.206 10 30 DGEERN CCOc1cc(I)c(C)cc1CC#N ZINC000575698042 435046847 /nfs/dbraw/zinc/04/68/47/435046847.db2.gz ZGZBJRUQWYVBHS-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000575958717 435053252 /nfs/dbraw/zinc/05/32/52/435053252.db2.gz PIEXMCDADWDWNP-OLZOCXBDSA-N 0 0 318.760 3.068 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000557501029 435055216 /nfs/dbraw/zinc/05/52/16/435055216.db2.gz FRJMDDYRAQFGIK-WBMJQRKESA-N 0 0 322.836 3.275 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000466737985 435090447 /nfs/dbraw/zinc/09/04/47/435090447.db2.gz NTPBFIRPAKJJDW-LLVKDONJSA-N 0 0 313.357 3.414 10 30 DGEERN C=C(C)COCCNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000558801837 435111388 /nfs/dbraw/zinc/11/13/88/435111388.db2.gz DLLPSNFANHKCSP-HNNXBMFYSA-N 0 0 317.429 3.338 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(C)n(CC(F)(F)F)n1 ZINC000579969960 435195336 /nfs/dbraw/zinc/19/53/36/435195336.db2.gz VCAMVFNFGGBAMZ-UHFFFAOYSA-N 0 0 318.343 3.622 10 30 DGEERN C=CCCCCN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O ZINC000561007948 435196278 /nfs/dbraw/zinc/19/62/78/435196278.db2.gz XANIPIYASNOWEB-CQSZACIVSA-N 0 0 306.793 3.159 10 30 DGEERN C=C(C)COCCNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000474796948 435160506 /nfs/dbraw/zinc/16/05/06/435160506.db2.gz XCLMBKGNPZWEBI-QGZVFWFLSA-N 0 0 320.408 3.135 10 30 DGEERN Cc1cc(C#N)nc(Nc2cccc(OCC(F)(F)F)c2)n1 ZINC000579626358 435168557 /nfs/dbraw/zinc/16/85/57/435168557.db2.gz TVWUJUOZFUDCGA-UHFFFAOYSA-N 0 0 308.263 3.341 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](C)n1cccc1 ZINC000561229605 435207019 /nfs/dbraw/zinc/20/70/19/435207019.db2.gz UKJGYBPHXWYVDI-OAHLLOKOSA-N 0 0 316.401 3.129 10 30 DGEERN Cc1cccc([C@@H]2CCCN2C(=O)Cc2cccc(C#N)c2)n1 ZINC000532533592 435175893 /nfs/dbraw/zinc/17/58/93/435175893.db2.gz YTMLRGKQAHLMBH-SFHVURJKSA-N 0 0 305.381 3.168 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sc(C(C)C)nc1C ZINC000562446357 435258840 /nfs/dbraw/zinc/25/88/40/435258840.db2.gz VDPCRNPIXQKZEU-OLZOCXBDSA-N 0 0 308.447 3.286 10 30 DGEERN C=CC[C@@H](C(=O)N1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000563173361 435266523 /nfs/dbraw/zinc/26/65/23/435266523.db2.gz AQJHIARHFCUGMH-AEFFLSMTSA-N 0 0 317.454 3.081 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1oc(COC(C)(C)C)nc1C ZINC000564660561 435272769 /nfs/dbraw/zinc/27/27/69/435272769.db2.gz KSLBIVGHXOOJTF-CYBMUJFWSA-N 0 0 306.406 3.479 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000584094297 435274446 /nfs/dbraw/zinc/27/44/46/435274446.db2.gz SRHQGIKDHRDAOD-PWSUYJOCSA-N 0 0 313.348 3.006 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000564886555 435274743 /nfs/dbraw/zinc/27/47/43/435274743.db2.gz RHLUDOVRENYEPD-INWMFGNUSA-N 0 0 304.390 3.107 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(OC)c(OC)c1OC ZINC000565163355 435277563 /nfs/dbraw/zinc/27/75/63/435277563.db2.gz PWXROMXSWCAGPM-UHFFFAOYSA-N 0 0 307.390 3.189 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000565854519 435283105 /nfs/dbraw/zinc/28/31/05/435283105.db2.gz OERKVLOFBATTBQ-LZLYRXPVSA-N 0 0 300.446 3.368 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc(C)c1S(C)(=O)=O ZINC000566429968 435286439 /nfs/dbraw/zinc/28/64/39/435286439.db2.gz DVJGPICMTSTHNY-UHFFFAOYSA-N 0 0 324.446 3.266 10 30 DGEERN C=CCN1C(=O)N(CCCC2CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000567210371 435296299 /nfs/dbraw/zinc/29/62/99/435296299.db2.gz ORINUMNHLKLTLJ-KRWDZBQOSA-N 0 0 312.413 3.238 10 30 DGEERN C=CCN(C(=O)[C@H](C)C(C)C)c1nc(C(=O)OCC)cs1 ZINC000498078974 435302089 /nfs/dbraw/zinc/30/20/89/435302089.db2.gz CJUVZHVOAZQURE-LLVKDONJSA-N 0 0 310.419 3.131 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000568624645 435453521 /nfs/dbraw/zinc/45/35/21/435453521.db2.gz NNMLRWNESNYVPH-HOCLYGCPSA-N 0 0 317.433 3.082 10 30 DGEERN CCC1(CC)[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H](C)[C@H]1OC ZINC000537805426 435466981 /nfs/dbraw/zinc/46/69/81/435466981.db2.gz ZXKUKZSEWQPMTQ-FSPWUOQZSA-N 0 0 314.429 3.057 10 30 DGEERN C=CCCOCCCCC(=O)Nc1nc2ccccc2c(=O)[nH]1 ZINC000537299822 435437266 /nfs/dbraw/zinc/43/72/66/435437266.db2.gz MSPWKUUTZQSPIW-UHFFFAOYSA-N 0 0 315.373 3.037 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1nc(C(C)C)c(C)s1 ZINC000569259666 435519357 /nfs/dbraw/zinc/51/93/57/435519357.db2.gz IHVOVWGLYUGMHZ-UHFFFAOYSA-N 0 0 323.462 3.376 10 30 DGEERN C(#Cc1ccccc1)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000483686653 435528297 /nfs/dbraw/zinc/52/82/97/435528297.db2.gz AXEXKTGMOGSOSC-OAQYLSRUSA-N 0 0 305.421 3.372 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000568996284 435491927 /nfs/dbraw/zinc/49/19/27/435491927.db2.gz CUDSMFWQVQYHGV-QGZVFWFLSA-N 0 0 314.429 3.154 10 30 DGEERN CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486710664 435611354 /nfs/dbraw/zinc/61/13/54/435611354.db2.gz URPQODPFNDDMJN-WBMJQRKESA-N 0 0 324.421 3.287 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCc2nncn2C1 ZINC000570350369 435612778 /nfs/dbraw/zinc/61/27/78/435612778.db2.gz HBNZPWLNXQKPAU-OAHLLOKOSA-N 0 0 324.428 3.331 10 30 DGEERN N#Cc1nnc2ccccc2c1N1CCC(C2CCOCC2)CC1 ZINC000570238939 435600848 /nfs/dbraw/zinc/60/08/48/435600848.db2.gz AGFWPRAXIDABBR-UHFFFAOYSA-N 0 0 322.412 3.144 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)ccc1Cl ZINC000540467810 435601599 /nfs/dbraw/zinc/60/15/99/435601599.db2.gz WHJONDPFUINPJL-UHFFFAOYSA-N 0 0 323.743 3.249 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCCOc1ccc(F)cc1F ZINC000540480574 435602493 /nfs/dbraw/zinc/60/24/93/435602493.db2.gz OOOHOIKZGQMLIO-GFCCVEGCSA-N 0 0 312.360 3.388 10 30 DGEERN C[C@H]1CCN(C(=O)c2ccc(C#N)n2C)c2ccccc2S1 ZINC000448634004 299955953 /nfs/dbraw/zinc/95/59/53/299955953.db2.gz JAQCEVOVELUZGA-LBPRGKRZSA-N 0 0 311.410 3.428 10 30 DGEERN CC#CCCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000490493769 435658065 /nfs/dbraw/zinc/65/80/65/435658065.db2.gz WVCAVRYDNVDWHU-UHFFFAOYSA-N 0 0 317.133 3.262 10 30 DGEERN C=CCN(C)C(=O)Nc1cc(F)cc(Br)c1F ZINC000490509663 435659046 /nfs/dbraw/zinc/65/90/46/435659046.db2.gz KICAQLJJGHURBX-UHFFFAOYSA-N 0 0 305.122 3.377 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1ccc(OC)c(O)c1 ZINC000518996861 435663346 /nfs/dbraw/zinc/66/33/46/435663346.db2.gz FZIJDHSHCRYGHU-UHFFFAOYSA-N 0 0 306.406 3.289 10 30 DGEERN N#Cc1cnccc1NCc1ccc(Oc2ccccc2)nc1 ZINC000548480161 435696286 /nfs/dbraw/zinc/69/62/86/435696286.db2.gz FKQSRGGVECDAET-UHFFFAOYSA-N 0 0 302.337 3.175 10 30 DGEERN C[C@@H](Cc1ccccc1C(F)(F)F)Nc1ccncc1C#N ZINC000548491175 435697746 /nfs/dbraw/zinc/69/77/46/435697746.db2.gz HBGGBRMSTNJUBX-NSHDSACASA-N 0 0 305.303 3.437 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC1(C)C ZINC000491293578 435726429 /nfs/dbraw/zinc/72/64/29/435726429.db2.gz HNAKPYLDRJLKSU-AWEZNQCLSA-N 0 0 317.389 3.339 10 30 DGEERN C=CCCCCCN1C(=O)CN(Cc2ccc(F)cc2)C1=O ZINC000572971728 435887149 /nfs/dbraw/zinc/88/71/49/435887149.db2.gz IJPHRJFBHMJINE-UHFFFAOYSA-N 0 0 304.365 3.336 10 30 DGEERN O=C(N[C@H]1CCCCC12CCCC2)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329646340 303516311 /nfs/dbraw/zinc/51/63/11/303516311.db2.gz ZUDBVOZYBUKSJY-YOEHRIQHSA-N 0 0 319.449 3.456 10 30 DGEERN Cc1nncn1-c1cccc(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000133564328 312671048 /nfs/dbraw/zinc/67/10/48/312671048.db2.gz OWZRICWNBFFCTJ-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN CCN(C(=O)Cc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000531386193 313455667 /nfs/dbraw/zinc/45/56/67/313455667.db2.gz KQXSXLDCYISCCA-UHFFFAOYSA-N 0 0 324.380 3.171 10 30 DGEERN CCOc1cccc([C@@H]2C[C@H]2NC(=O)Cc2cccc(C#N)c2)c1 ZINC000537228971 313803348 /nfs/dbraw/zinc/80/33/48/313803348.db2.gz CWIGEHQMUBEHPO-RBUKOAKNSA-N 0 0 320.392 3.172 10 30 DGEERN N#Cc1cnccc1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000545947721 314277651 /nfs/dbraw/zinc/27/76/51/314277651.db2.gz SUIFPBCPDUKTQQ-UHFFFAOYSA-N 0 0 320.327 3.314 10 30 DGEERN CC(C)(COCc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000545962487 314279836 /nfs/dbraw/zinc/27/98/36/314279836.db2.gz ZQHKETOUWHEYCU-UHFFFAOYSA-N 0 0 322.408 3.212 10 30 DGEERN Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccncc3C#N)cc2)n1 ZINC000546653704 314318932 /nfs/dbraw/zinc/31/89/32/314318932.db2.gz IYHKPLMERFBKQJ-OAHLLOKOSA-N 0 0 317.396 3.351 10 30 DGEERN CC(C)(C)OC(=O)Cc1cccc(Nc2ccncc2C#N)c1 ZINC000548153971 314426888 /nfs/dbraw/zinc/42/68/88/314426888.db2.gz XYJBTNBJWKHQHP-UHFFFAOYSA-N 0 0 309.369 3.003 10 30 DGEERN C[C@@H](Cc1cccc(Br)c1)Nc1ccncc1C#N ZINC000548152685 314426898 /nfs/dbraw/zinc/42/68/98/314426898.db2.gz WWWZUPKBMUFQFL-NSHDSACASA-N 0 0 316.202 3.181 10 30 DGEERN COc1ccc(CNc2ccncc2C#N)cc1OC1CCCC1 ZINC000548480188 314451958 /nfs/dbraw/zinc/45/19/58/314451958.db2.gz QWUMEYHHLOBBGS-UHFFFAOYSA-N 0 0 323.396 3.317 10 30 DGEERN N#Cc1cccc(/C=C\c2nc(CCC3CCOCC3)no2)c1 ZINC000551241278 314554852 /nfs/dbraw/zinc/55/48/52/314554852.db2.gz IPXMHMBRKMFDGA-ALCCZGGFSA-N 0 0 309.369 3.471 10 30 DGEERN N#Cc1cnccc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000557674818 314815471 /nfs/dbraw/zinc/81/54/71/314815471.db2.gz ZVHPYFGCICSKFR-UHFFFAOYSA-N 0 0 309.344 3.192 10 30 DGEERN N#Cc1cccc(CC(=O)NCCC2Cc3ccccc3C2)c1 ZINC000559335194 314882168 /nfs/dbraw/zinc/88/21/68/314882168.db2.gz KBJFTQMLIWPQTA-UHFFFAOYSA-N 0 0 304.393 3.022 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 ZINC000188984441 323431853 /nfs/dbraw/zinc/43/18/53/323431853.db2.gz YLMCUMSIUYGLCL-UHFFFAOYSA-N 0 0 304.349 3.259 10 30 DGEERN Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000193842394 323469258 /nfs/dbraw/zinc/46/92/58/323469258.db2.gz MMLCYSMXDSXBJE-UHFFFAOYSA-N 0 0 305.381 3.375 10 30 DGEERN COc1cc(C#N)ccc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000195078562 323486072 /nfs/dbraw/zinc/48/60/72/323486072.db2.gz PMIWAPUCOXVAPE-UHFFFAOYSA-N 0 0 313.382 3.232 10 30 DGEERN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000574968813 332898679 /nfs/dbraw/zinc/89/86/79/332898679.db2.gz MJTTYYOMAWAUHR-IRXDYDNUSA-N 0 0 319.412 3.382 10 30 DGEERN C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(C#N)c1 ZINC000533504007 331551825 /nfs/dbraw/zinc/55/18/25/331551825.db2.gz NIIRCRKXFKNBLA-FQEVSTJZSA-N 0 0 317.392 3.132 10 30 DGEERN Cc1cc(C(=O)NCC2CCC(C#N)CC2)nn1[C@H](C)C1CC1 ZINC000558666644 331933559 /nfs/dbraw/zinc/93/35/59/331933559.db2.gz QRDUMLWXNBMAMQ-WLYUNCDWSA-N 0 0 314.433 3.222 10 30 DGEERN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)CC ZINC000558982225 331963545 /nfs/dbraw/zinc/96/35/45/331963545.db2.gz FMEHPQUOBZNKAG-UHFFFAOYSA-N 0 0 300.406 3.198 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CC)CC1CC1 ZINC000518261113 332001896 /nfs/dbraw/zinc/00/18/96/332001896.db2.gz AIWFILHQVZHMCG-QGZVFWFLSA-N 0 0 324.428 3.377 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(C2CCC2)CCC1 ZINC000560413998 332338059 /nfs/dbraw/zinc/33/80/59/332338059.db2.gz GCUPHSJALUXNGY-GDBMZVCRSA-N 0 0 306.450 3.237 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N(C)C1CCOCC1 ZINC000562262114 332565346 /nfs/dbraw/zinc/56/53/46/332565346.db2.gz GSFBCVQNLPCWRB-UHFFFAOYSA-N 0 0 312.417 3.136 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000564736980 332568499 /nfs/dbraw/zinc/56/84/99/332568499.db2.gz QWLWNWRLDKNGQW-QFIPXVFZSA-N 0 0 322.474 3.111 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000564739438 332575493 /nfs/dbraw/zinc/57/54/93/332575493.db2.gz BREIFDVODMLPPB-HNNXBMFYSA-N 0 0 302.418 3.035 10 30 DGEERN C=CCCC[C@@H](C)Sc1nnc2c(=O)[nH]c3ccccc3n12 ZINC000569870183 332687813 /nfs/dbraw/zinc/68/78/13/332687813.db2.gz OODZPQHGXBUADS-LLVKDONJSA-N 0 0 314.414 3.408 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000569939052 332695340 /nfs/dbraw/zinc/69/53/40/332695340.db2.gz HOZFWYNAFYQRJW-LBPRGKRZSA-N 0 0 308.426 3.474 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H](C)C[C@H]1CC ZINC000570087659 332710185 /nfs/dbraw/zinc/71/01/85/332710185.db2.gz UHDYTLVJRYEWBA-UKRRQHHQSA-N 0 0 311.433 3.459 10 30 DGEERN Cc1nc2nc(SCC#Cc3ccccc3)nn2c(C)c1C ZINC000187891818 333152690 /nfs/dbraw/zinc/15/26/90/333152690.db2.gz GBCSGWKHKIHSJV-UHFFFAOYSA-N 0 0 308.410 3.193 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000582132261 333152721 /nfs/dbraw/zinc/15/27/21/333152721.db2.gz GQIZNIJSOCFPDG-CQSZACIVSA-N 0 0 320.408 3.208 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000188122646 333159848 /nfs/dbraw/zinc/15/98/48/333159848.db2.gz MTVRCWGUJYDYGK-ZDUSSCGKSA-N 0 0 320.389 3.033 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000580326813 333187494 /nfs/dbraw/zinc/18/74/94/333187494.db2.gz NZVULXDPOMJAGW-BRWVUGGUSA-N 0 0 308.466 3.458 10 30 DGEERN C=CCn1c(S[C@H](C(C)=O)C(C)C)nc2ccccc2c1=O ZINC000563113352 333391908 /nfs/dbraw/zinc/39/19/08/333391908.db2.gz KLTZYXJMBSDZCI-HNNXBMFYSA-N 0 0 316.426 3.288 10 30 DGEERN C=CCOc1ccccc1CNC(=O)COc1ccsc1 ZINC000337300606 333445651 /nfs/dbraw/zinc/44/56/51/333445651.db2.gz WIKMIFXLQXXAJC-UHFFFAOYSA-N 0 0 303.383 3.008 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000185718620 335148462 /nfs/dbraw/zinc/14/84/62/335148462.db2.gz RFWXGIWMKNJPKN-AWEZNQCLSA-N 0 0 323.483 3.222 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NCCC1(COC)CC1 ZINC000571280125 333694886 /nfs/dbraw/zinc/69/48/86/333694886.db2.gz QKYBOZRXKVUKSX-UHFFFAOYSA-N 0 0 308.447 3.262 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000534596327 334295593 /nfs/dbraw/zinc/29/55/93/334295593.db2.gz UZNIRGGKVBLEJG-GOSISDBHSA-N 0 0 317.408 3.484 10 30 DGEERN CCc1ccc(S(=O)(=O)N[C@@H](C#N)C2CCCCC2)s1 ZINC000049044653 334311201 /nfs/dbraw/zinc/31/12/01/334311201.db2.gz PTIMBWHVRANHMP-ZDUSSCGKSA-N 0 0 312.460 3.061 10 30 DGEERN C=CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000345148282 335301447 /nfs/dbraw/zinc/30/14/47/335301447.db2.gz VYFAXCYGMLFBJX-NWDGAFQWSA-N 0 0 322.430 3.275 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1cccc(CC)c1 ZINC000520168368 335924304 /nfs/dbraw/zinc/92/43/04/335924304.db2.gz QECLFBHFXFIUDS-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOc1cccc(C)c1 ZINC000520167667 335924309 /nfs/dbraw/zinc/92/43/09/335924309.db2.gz MZMNJKIOJJZVOA-UHFFFAOYSA-N 0 0 301.308 3.341 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)[C@H](C)C1CC1 ZINC000584350578 336060526 /nfs/dbraw/zinc/06/05/26/336060526.db2.gz QWPMFUHAUSJRER-LLVKDONJSA-N 0 0 303.435 3.131 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCSCC1 ZINC000352805344 336241831 /nfs/dbraw/zinc/24/18/31/336241831.db2.gz LDRDXVVDNHBKNC-UHFFFAOYSA-N 0 0 320.414 3.253 10 30 DGEERN C=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000532503478 336252592 /nfs/dbraw/zinc/25/25/92/336252592.db2.gz QQZTTYISKXUCIJ-UHFFFAOYSA-N 0 0 324.424 3.364 10 30 DGEERN C=CCn1c(SC[C@@H](OC)C2CC2)nnc1-c1ccccn1 ZINC000582240379 336390958 /nfs/dbraw/zinc/39/09/58/336390958.db2.gz IPECESOVBNBSBQ-CQSZACIVSA-N 0 0 316.430 3.043 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)Nc1cn(C)nc1OC ZINC000354750336 336481056 /nfs/dbraw/zinc/48/10/56/336481056.db2.gz LSFKFVBGQPOXSN-UHFFFAOYSA-N 0 0 306.410 3.029 10 30 DGEERN C=CCSCCNC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000357377224 336583018 /nfs/dbraw/zinc/58/30/18/336583018.db2.gz PJCDVGMVVWOFSH-XJKCOSOUSA-N 0 0 320.458 3.158 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000372085430 336921813 /nfs/dbraw/zinc/92/18/13/336921813.db2.gz IVLZVCQUMGUIOZ-INIZCTEOSA-N 0 0 301.434 3.206 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(SC)c1 ZINC000582495738 337100677 /nfs/dbraw/zinc/10/06/77/337100677.db2.gz RTIZZIWTCGKSCN-UHFFFAOYSA-N 0 0 306.431 3.210 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000582555366 337108775 /nfs/dbraw/zinc/10/87/75/337108775.db2.gz MDSDYCAKLWQRFT-UHFFFAOYSA-N 0 0 320.458 3.351 10 30 DGEERN C=CCn1c(SCc2coc(C)n2)nc2sccc2c1=O ZINC000582589810 337110472 /nfs/dbraw/zinc/11/04/72/337110472.db2.gz BVDFOWRKRBVSJE-UHFFFAOYSA-N 0 0 319.411 3.233 10 30 DGEERN C=CCCCCCNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000582614376 337114634 /nfs/dbraw/zinc/11/46/34/337114634.db2.gz DQSMYQYRBPRALG-UHFFFAOYSA-N 0 0 315.417 3.454 10 30 DGEERN N#CCCCCNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000184569087 337198677 /nfs/dbraw/zinc/19/86/77/337198677.db2.gz PSEQGCRBTFDAGT-UHFFFAOYSA-N 0 0 301.365 3.318 10 30 DGEERN C=CCOc1ccc(CN2C[C@@H](C)NC(=O)c3ccccc32)cc1 ZINC000582877356 337209608 /nfs/dbraw/zinc/20/96/08/337209608.db2.gz MQJDDPLKMCKHGE-OAHLLOKOSA-N 0 0 322.408 3.390 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000582947033 337221061 /nfs/dbraw/zinc/22/10/61/337221061.db2.gz DSKFSFWDLMENFX-PMPSAXMXSA-N 0 0 320.820 3.434 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)CCC1 ZINC000582949503 337221394 /nfs/dbraw/zinc/22/13/94/337221394.db2.gz MBARQJGUBKAJBV-OCCSQVGLSA-N 0 0 321.442 3.184 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OCC)c(F)c1 ZINC000583212549 337273336 /nfs/dbraw/zinc/27/33/36/337273336.db2.gz PSUFDBIHXNOKIU-UHFFFAOYSA-N 0 0 322.380 3.026 10 30 DGEERN C=CCC1(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)CCC1 ZINC000191642552 337298159 /nfs/dbraw/zinc/29/81/59/337298159.db2.gz HXCCXORZYXBIMO-UHFFFAOYSA-N 0 0 301.434 3.175 10 30 DGEERN N#Cc1cccc(-c2c[nH]c3nccc(N4CCC[C@H](O)C4)c23)c1 ZINC000584598763 337370628 /nfs/dbraw/zinc/37/06/28/337370628.db2.gz HXQZQGAYLZDSQO-HNNXBMFYSA-N 0 0 318.380 3.063 10 30 DGEERN CCOC(OCC)(OCC)[C@@H](CCC=O)C(=O)c1ccccc1 ZINC000584604034 337371313 /nfs/dbraw/zinc/37/13/13/337371313.db2.gz GKDOYQCJZHFZAN-INIZCTEOSA-N 0 0 322.401 3.228 10 30 DGEERN Cc1c2cc(C#N)cc(-c3ccc(Cl)nc3)c2n(C)c1C(N)=O ZINC000584618805 337373293 /nfs/dbraw/zinc/37/32/93/337373293.db2.gz QJDNSEOJGHPCMX-UHFFFAOYSA-N 0 0 324.771 3.173 10 30 DGEERN CC[C@@]1(O)C=CC(=O)[C@@H](C(c2ccccc2)c2ccccc2)O1 ZINC000584625720 337375587 /nfs/dbraw/zinc/37/55/87/337375587.db2.gz ROXMWTDRWHSZJL-PMACEKPBSA-N 0 0 308.377 3.441 10 30 DGEERN C=C[C@@H](C)N(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O ZINC000584655705 337377865 /nfs/dbraw/zinc/37/78/65/337377865.db2.gz YRYSIAFYOTYOQU-LLVKDONJSA-N 0 0 316.357 3.009 10 30 DGEERN COc1ccc(CC[C@@H](C#N)C(=O)OC(C)(C)C)cc1OC ZINC000584653203 337381070 /nfs/dbraw/zinc/38/10/70/337381070.db2.gz LZEZEZSAEMUAMS-ZDUSSCGKSA-N 0 0 305.374 3.118 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000135114126 337450774 /nfs/dbraw/zinc/45/07/74/337450774.db2.gz XBMGZCGCTIAXMJ-MLGOLLRUSA-N 0 0 307.825 3.032 10 30 DGEERN CC#CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000564063451 337450999 /nfs/dbraw/zinc/45/09/99/337450999.db2.gz ANJHBPOZWJCOMM-JTQLQIEISA-N 0 0 300.185 3.242 10 30 DGEERN C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1Cc1ccccc1 ZINC000572130739 337590792 /nfs/dbraw/zinc/59/07/92/337590792.db2.gz ZGYILSAKVWKYTE-AWEZNQCLSA-N 0 0 309.417 3.190 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(OCC)cc1F ZINC000580447806 337678228 /nfs/dbraw/zinc/67/82/28/337678228.db2.gz SCAYKRNQSRMGCE-UHFFFAOYSA-N 0 0 322.380 3.026 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000527900954 337772718 /nfs/dbraw/zinc/77/27/18/337772718.db2.gz ABAXNEUAURHLPE-DZGCQCFKSA-N 0 0 308.219 3.375 10 30 DGEERN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@@H](C#N)C1CC1 ZINC000108836874 337841848 /nfs/dbraw/zinc/84/18/48/337841848.db2.gz UTLBPAMTYOBQMQ-BBRMVZONSA-N 0 0 300.402 3.304 10 30 DGEERN C=CC[C@H](C)NC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000121339232 337892150 /nfs/dbraw/zinc/89/21/50/337892150.db2.gz ZNURBDFXMYBAEO-IHRRRGAJSA-N 0 0 310.438 3.151 10 30 DGEERN C=CCn1c(SCCC(C)(C)OC)nc2ccccc2c1=O ZINC000468472048 339263571 /nfs/dbraw/zinc/26/35/71/339263571.db2.gz ZKDLONSAZAJMGC-UHFFFAOYSA-N 0 0 318.442 3.490 10 30 DGEERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)CCO1 ZINC000504394794 340146946 /nfs/dbraw/zinc/14/69/46/340146946.db2.gz GLHUKKYVKYKYHT-CVEARBPZSA-N 0 0 321.465 3.305 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000505035632 340159426 /nfs/dbraw/zinc/15/94/26/340159426.db2.gz OFMOEHCOOIJWQQ-WBVHZDCISA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)CCN1C(=O)N[C@@](CC)(c2cccc(Cl)c2)C1=O ZINC000505449331 340168731 /nfs/dbraw/zinc/16/87/31/340168731.db2.gz NITLHKZZAGVCTE-INIZCTEOSA-N 0 0 306.793 3.463 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C ZINC000508139166 340239581 /nfs/dbraw/zinc/23/95/81/340239581.db2.gz RBXZBQGROBNMQI-UHFFFAOYSA-N 0 0 322.359 3.486 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC000508467975 340244246 /nfs/dbraw/zinc/24/42/46/340244246.db2.gz ZXZQTBHTYVZBPS-UKRRQHHQSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000508492237 340244732 /nfs/dbraw/zinc/24/47/32/340244732.db2.gz IRQNEXDNSZWOPC-VBQJREDUSA-N 0 0 324.428 3.233 10 30 DGEERN C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C)C1 ZINC000508491019 340244745 /nfs/dbraw/zinc/24/47/45/340244745.db2.gz SEPUMCOOALUIRY-CQSZACIVSA-N 0 0 321.428 3.469 10 30 DGEERN C=CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC1CC1 ZINC000508712904 340251310 /nfs/dbraw/zinc/25/13/10/340251310.db2.gz GYGASWDVIGJRQP-UHFFFAOYSA-N 0 0 307.401 3.459 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](C2CC2)C1 ZINC000508912981 340255764 /nfs/dbraw/zinc/25/57/64/340255764.db2.gz NSSKVTGETRQDHT-KRWDZBQOSA-N 0 0 324.428 3.055 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](C(C)C)C1 ZINC000508998923 340257645 /nfs/dbraw/zinc/25/76/45/340257645.db2.gz OHHIWDZYZIQTJO-OAHLLOKOSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC1(C)C ZINC000512386989 340359970 /nfs/dbraw/zinc/35/99/70/340359970.db2.gz KHTLEZSLOIZAJG-HNNXBMFYSA-N 0 0 317.389 3.481 10 30 DGEERN Cn1c(C(=O)N[C@H](C#N)C2CC2)cc2cc(C(F)(F)F)ccc21 ZINC000173261537 340361286 /nfs/dbraw/zinc/36/12/86/340361286.db2.gz CXWFKGRXPUUXQT-GFCCVEGCSA-N 0 0 321.302 3.229 10 30 DGEERN CSCc1cc(C(=O)Nc2ccn(CCC#N)n2)ccc1F ZINC000174250797 340384784 /nfs/dbraw/zinc/38/47/84/340384784.db2.gz BMWWGORPSCNALI-UHFFFAOYSA-N 0 0 318.377 3.051 10 30 DGEERN COc1cccc(F)c1[C@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000174463725 340389143 /nfs/dbraw/zinc/38/91/43/340389143.db2.gz MBMXMJTYTKQLQC-LBPRGKRZSA-N 0 0 304.365 3.486 10 30 DGEERN CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1 ZINC000517180687 340464990 /nfs/dbraw/zinc/46/49/90/340464990.db2.gz DGRIUCLFXRALJJ-OAHLLOKOSA-N 0 0 311.433 3.121 10 30 DGEERN CC(C)[C@H]1C[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000185616436 340503521 /nfs/dbraw/zinc/50/35/21/340503521.db2.gz BXOZHUXGVMYYFT-HUUCEWRRSA-N 0 0 309.331 3.465 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000186035126 340507553 /nfs/dbraw/zinc/50/75/53/340507553.db2.gz NIOKPTTVCWRPLI-INIZCTEOSA-N 0 0 322.493 3.476 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000186646071 340515058 /nfs/dbraw/zinc/51/50/58/340515058.db2.gz PRLGRZOAPOVGNH-OAHLLOKOSA-N 0 0 318.417 3.008 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)OCC(C)(C)CC#N ZINC000189137528 340527707 /nfs/dbraw/zinc/52/77/07/340527707.db2.gz QNYBUGQKADXTGC-OLZOCXBDSA-N 0 0 324.421 3.163 10 30 DGEERN C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc2c(c1)OCO2 ZINC000192836728 340570299 /nfs/dbraw/zinc/57/02/99/340570299.db2.gz MBUOBSQSYLNXHV-LBPRGKRZSA-N 0 0 323.352 3.364 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCc2ccccc2CC1 ZINC000529247025 340750086 /nfs/dbraw/zinc/75/00/86/340750086.db2.gz PZXDRSWNLIDJRM-MOPGFXCFSA-N 0 0 313.441 3.279 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1ccc(F)c(F)c1F ZINC000541482589 340971671 /nfs/dbraw/zinc/97/16/71/340971671.db2.gz GMXLQHRXJRBYPH-UHFFFAOYSA-N 0 0 300.324 3.254 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000130238027 341007978 /nfs/dbraw/zinc/00/79/78/341007978.db2.gz OUWKSOHRCYUABR-LLVKDONJSA-N 0 0 302.683 3.391 10 30 DGEERN CC1(C#N)CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1 ZINC000543750249 341056748 /nfs/dbraw/zinc/05/67/48/341056748.db2.gz MGLFKWGKZBFRPD-UHFFFAOYSA-N 0 0 324.783 3.400 10 30 DGEERN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC(CC#N)CC1 ZINC000544121538 341071096 /nfs/dbraw/zinc/07/10/96/341071096.db2.gz JEJPXOIIXMQDRR-OAHLLOKOSA-N 0 0 324.783 3.319 10 30 DGEERN C[C@H](OC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000131391618 341084229 /nfs/dbraw/zinc/08/42/29/341084229.db2.gz UPHMIGNFJVKZQO-STQMWFEESA-N 0 0 324.421 3.115 10 30 DGEERN CC#CCCNC(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000544595110 341087769 /nfs/dbraw/zinc/08/77/69/341087769.db2.gz QJDBJRZYRLFTPV-UHFFFAOYSA-N 0 0 304.390 3.362 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2ccc3c(c2)ncn3C)no1)OCC ZINC000544981412 341102690 /nfs/dbraw/zinc/10/26/90/341102690.db2.gz AQLLGEDPISWOSU-OAHLLOKOSA-N 0 0 312.373 3.147 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2cc3[nH]cnc3c(C)c2)no1)OCC ZINC000544986486 341102957 /nfs/dbraw/zinc/10/29/57/341102957.db2.gz RBOYHPGBLNEVEJ-CQSZACIVSA-N 0 0 312.373 3.445 10 30 DGEERN CCO[C@H](C)c1nc(CN(C)C[C@H](C#N)CCC#N)cs1 ZINC000075888104 341188263 /nfs/dbraw/zinc/18/82/63/341188263.db2.gz QGEDSBPPKFFDLA-OLZOCXBDSA-N 0 0 306.435 3.116 10 30 DGEERN C=CCc1cc(CNc2cc(CC#N)ccn2)cc(OC)c1O ZINC000547340898 341207277 /nfs/dbraw/zinc/20/72/77/341207277.db2.gz OTGZQVARWJZYNF-UHFFFAOYSA-N 0 0 309.369 3.202 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1coc(COC)n1 ZINC000548421626 341259785 /nfs/dbraw/zinc/25/97/85/341259785.db2.gz OIHRPJCCPCJSTQ-UHFFFAOYSA-N 0 0 300.358 3.040 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)CCCCC#N ZINC000246043610 341322787 /nfs/dbraw/zinc/32/27/87/341322787.db2.gz SHOBYKHRLCCRAE-KFWWJZLASA-N 0 0 300.468 3.060 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000564375121 341329898 /nfs/dbraw/zinc/32/98/98/341329898.db2.gz BWHPSPPPZLEOQG-RYTJFDOTSA-N 0 0 312.461 3.432 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000551271649 341336556 /nfs/dbraw/zinc/33/65/56/341336556.db2.gz SNAVJYQGRUMXQD-SJLPKXTDSA-N 0 0 300.402 3.249 10 30 DGEERN C=CCn1c(SCC(=O)[C@@H](C)CC)nc2ccccc2c1=O ZINC000089661126 341406576 /nfs/dbraw/zinc/40/65/76/341406576.db2.gz HSHIEKPKXSVMIH-LBPRGKRZSA-N 0 0 316.426 3.290 10 30 DGEERN Cn1cc(CC(=O)NCC2CCC(C#N)CC2)c2ccccc21 ZINC000554614572 341459689 /nfs/dbraw/zinc/45/96/89/341459689.db2.gz OJQLPGAQJJCMQQ-UHFFFAOYSA-N 0 0 309.413 3.167 10 30 DGEERN C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000564758571 341508518 /nfs/dbraw/zinc/50/85/18/341508518.db2.gz HBASPZILARRSDA-DZGCQCFKSA-N 0 0 310.401 3.128 10 30 DGEERN CCc1oc(C(=O)Nc2ncccc2OCCCC#N)cc1C ZINC000153291197 341533753 /nfs/dbraw/zinc/53/37/53/341533753.db2.gz XXIRTFWDELJDAI-UHFFFAOYSA-N 0 0 313.357 3.480 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000566616934 341563335 /nfs/dbraw/zinc/56/33/35/341563335.db2.gz QQTSYIGPFXSTRT-HUHSQHJXSA-N 0 0 314.429 3.200 10 30 DGEERN C=CCN(Cc1nnc(C)n1C1CC1)Cc1ccc(OC)cc1 ZINC000154935685 341598614 /nfs/dbraw/zinc/59/86/14/341598614.db2.gz PGIGGIDWMVQSRJ-UHFFFAOYSA-N 0 0 312.417 3.118 10 30 DGEERN C=CCCCCCNC(=O)NCCc1nc2ccccc2[nH]1 ZINC000568185719 341657290 /nfs/dbraw/zinc/65/72/90/341657290.db2.gz GLOHXZMQAIHPTR-UHFFFAOYSA-N 0 0 300.406 3.151 10 30 DGEERN Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2cccc3[nH]ccc32)CCO1 ZINC000328618954 341734931 /nfs/dbraw/zinc/73/49/31/341734931.db2.gz FHIKBNCXRTZFGP-SJCJKPOMSA-N 0 0 324.384 3.126 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000573740742 341737987 /nfs/dbraw/zinc/73/79/87/341737987.db2.gz UPTPKPSPCAUASA-PJPHBNEVSA-N 0 0 300.450 3.432 10 30 DGEERN C=CCCCCCNC(=O)CCc1c(C)nc(SC)[nH]c1=O ZINC000574288412 341754312 /nfs/dbraw/zinc/75/43/12/341754312.db2.gz NADAKIQZTRRPNX-UHFFFAOYSA-N 0 0 323.462 3.008 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000576345809 341841542 /nfs/dbraw/zinc/84/15/42/341841542.db2.gz PPIXRVYWYBXWDC-MNOVXSKESA-N 0 0 302.344 3.194 10 30 DGEERN CC(C)(C)n1ncc(NCC2CCC(C#N)CC2)c(Cl)c1=O ZINC000577174637 341894291 /nfs/dbraw/zinc/89/42/91/341894291.db2.gz BSMIFBBFWPAUQZ-UHFFFAOYSA-N 0 0 322.840 3.394 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000177142666 341916777 /nfs/dbraw/zinc/91/67/77/341916777.db2.gz BRFMFZLNMLFWRK-KBPBESRZSA-N 0 0 315.417 3.255 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cc3c(cn2)OCCO3)CCCC1(C)C ZINC000577742442 341933536 /nfs/dbraw/zinc/93/35/36/341933536.db2.gz RDCGDEIZMYAUIU-INIZCTEOSA-N 0 0 316.401 3.060 10 30 DGEERN C=CCOc1ccc(CNC(=O)N[C@H]2CC23CCCC3)cc1 ZINC000557996363 500571335 /nfs/dbraw/zinc/57/13/35/500571335.db2.gz QQDDNBFSLIIMDH-INIZCTEOSA-N 0 0 300.402 3.383 10 30 DGEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)cnn1-c1cccc(C)c1 ZINC000436013068 533820880 /nfs/dbraw/zinc/82/08/80/533820880.db2.gz LGHGXFYDEVJPNE-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN COc1cc(CNc2ccc3ccc(=O)n(C)c3c2)ccc1C#N ZINC000441346437 533913156 /nfs/dbraw/zinc/91/31/56/533913156.db2.gz JWTNVPDHCRGIGD-UHFFFAOYSA-N 0 0 319.364 3.031 10 30 DGEERN C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000194505674 534036064 /nfs/dbraw/zinc/03/60/64/534036064.db2.gz GXUPZVVWIOZHOG-CABZTGNLSA-N 0 0 312.291 3.188 10 30 DGEERN Cc1cc([C@@H]2CN(CCCSCC#N)CCO2)ccc1F ZINC000128685864 534048207 /nfs/dbraw/zinc/04/82/07/534048207.db2.gz XRCAOVJYOCVSHC-INIZCTEOSA-N 0 0 308.422 3.154 10 30 DGEERN C[C@@H]1CC(C(=O)N[C@](C)(C#N)CCc2ccccc2)C[C@@H](C)O1 ZINC000094126649 534144252 /nfs/dbraw/zinc/14/42/52/534144252.db2.gz JGVFYHAVTAIOLS-CLCXKQKWSA-N 0 0 314.429 3.221 10 30 DGEERN COC(=O)c1ccc(CNc2ccc(C#N)cc2)nc1C1CC1 ZINC000302032767 534150054 /nfs/dbraw/zinc/15/00/54/534150054.db2.gz NXGLWAMBIACMBJ-UHFFFAOYSA-N 0 0 307.353 3.229 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000173213341 534219105 /nfs/dbraw/zinc/21/91/05/534219105.db2.gz HJWGYVOLUKIWRH-WDEREUQCSA-N 0 0 312.822 3.021 10 30 DGEERN O=C(C[C@H]1CCCCNC1=O)Nc1n[nH]c2cc(F)ccc21 ZINC000329848894 534339170 /nfs/dbraw/zinc/33/91/70/534339170.db2.gz RQKPAHTUPSCVML-SECBINFHSA-N 0 0 304.325 3.437 10 30 DGEERN Cc1nc(CN(C)c2c(C#N)cnc3ccc(Cl)cc32)no1 ZINC000302209957 534346451 /nfs/dbraw/zinc/34/64/51/534346451.db2.gz YIESKAZRQMRHNV-UHFFFAOYSA-N 0 0 313.748 3.088 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](CC)Oc1cccc(F)c1 ZINC000469538819 534358449 /nfs/dbraw/zinc/35/84/49/534358449.db2.gz ZAENISDGVSVPEB-USXIJHARSA-N 0 0 321.392 3.081 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000469527133 534359098 /nfs/dbraw/zinc/35/90/98/534359098.db2.gz KQJJRGUTBGQIGU-IXDOHACOSA-N 0 0 317.454 3.114 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC)c(OC)c1 ZINC000455879349 534366079 /nfs/dbraw/zinc/36/60/79/534366079.db2.gz PZVRGGFEAJHDPR-WMLDXEAASA-N 0 0 318.417 3.360 10 30 DGEERN C=C(C)CSc1nnc(NC(=O)COc2ccccc2)s1 ZINC000006705689 518627070 /nfs/dbraw/zinc/62/70/70/518627070.db2.gz NLJPWUVVHZVVAJ-UHFFFAOYSA-N 0 0 321.427 3.224 10 30 DGEERN C=CCn1c(N2CCCC[C@@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453432514 534441835 /nfs/dbraw/zinc/44/18/35/534441835.db2.gz BWBMWKAMANDTDU-WMLDXEAASA-N 0 0 304.438 3.259 10 30 DGEERN C=C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000465145189 534494864 /nfs/dbraw/zinc/49/48/64/534494864.db2.gz IGWCDXRJQPOUHX-DNVCBOLYSA-N 0 0 306.409 3.481 10 30 DGEERN C=CC(C)(C)CNC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000454772024 534510295 /nfs/dbraw/zinc/51/02/95/534510295.db2.gz LXUOIXHOPBMDCX-UHFFFAOYSA-N 0 0 300.324 3.158 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000454673111 534569339 /nfs/dbraw/zinc/56/93/39/534569339.db2.gz JZDXNMAYAJTTAT-WQVCFCJDSA-N 0 0 304.390 3.249 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2ccc(OC)cc2c1 ZINC000456260460 534571412 /nfs/dbraw/zinc/57/14/12/534571412.db2.gz ICYYZDSPSMBBAB-MSOLQXFVSA-N 0 0 311.381 3.312 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2)CC1 ZINC000180060017 534575214 /nfs/dbraw/zinc/57/52/14/534575214.db2.gz CCVONZRTDLOQOV-MRXNPFEDSA-N 0 0 304.349 3.105 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000181569346 534577788 /nfs/dbraw/zinc/57/77/88/534577788.db2.gz RCSLRDARLLRPIX-KRWDZBQOSA-N 0 0 324.424 3.463 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000450611259 534582920 /nfs/dbraw/zinc/58/29/20/534582920.db2.gz IADRNXHIJPAVHV-HIFRSBDPSA-N 0 0 317.385 3.172 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000455414403 534599498 /nfs/dbraw/zinc/59/94/98/534599498.db2.gz QXCRKZISCZCOIK-PMPSAXMXSA-N 0 0 322.355 3.155 10 30 DGEERN N#CCCN(CC1CC1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000151776755 534638024 /nfs/dbraw/zinc/63/80/24/534638024.db2.gz JXMRNJMHINUKKX-UHFFFAOYSA-N 0 0 306.356 3.440 10 30 DGEERN N#CCC[C@@H](NC(=O)NCCCc1ccccn1)c1ccccc1 ZINC000178765194 534654266 /nfs/dbraw/zinc/65/42/66/534654266.db2.gz ZGRMNWNKJBALFU-GOSISDBHSA-N 0 0 322.412 3.358 10 30 DGEERN CCc1nnc(NCCC[C@H]2CCCC[C@H]2O)c(C#N)c1CC ZINC000154534322 522779103 /nfs/dbraw/zinc/77/91/03/522779103.db2.gz KXKKGQXZWSODKJ-CXAGYDPISA-N 0 0 316.449 3.216 10 30 DGEERN C=CCCCCNC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000472793587 534682676 /nfs/dbraw/zinc/68/26/76/534682676.db2.gz QXCWWDAZKJZEGV-UHFFFAOYSA-N 0 0 300.324 3.302 10 30 DGEERN CC#CCN(C)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000457635676 534706489 /nfs/dbraw/zinc/70/64/89/534706489.db2.gz RWYTVJPJAFNBNB-LLVKDONJSA-N 0 0 314.307 3.311 10 30 DGEERN C=CCCCNC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000454904306 534726636 /nfs/dbraw/zinc/72/66/36/534726636.db2.gz XWTCPRMJCDZOEM-OAHLLOKOSA-N 0 0 308.809 3.469 10 30 DGEERN N#C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1O)C1CC1 ZINC000179556052 534746691 /nfs/dbraw/zinc/74/66/91/534746691.db2.gz WUCMCHZLNMVWJT-KRWDZBQOSA-N 0 0 306.365 3.015 10 30 DGEERN COc1ccc(N(C(=O)c2c[nH]c(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000181234693 524337066 /nfs/dbraw/zinc/33/70/66/524337066.db2.gz QJLHBBRWDTULQD-LBPRGKRZSA-N 0 0 309.369 3.340 10 30 DGEERN Cc1csc(C(=O)Nc2cc(C#N)ccn2)c1Br ZINC000436031291 534790100 /nfs/dbraw/zinc/79/01/00/534790100.db2.gz XOIKLAUBSIBXOV-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN C=CCC[C@H](CO)NC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000454774981 534803319 /nfs/dbraw/zinc/80/33/19/534803319.db2.gz XKDAJXHHOIJSOF-OAHLLOKOSA-N 0 0 315.373 3.099 10 30 DGEERN O=C(NCC(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155759035 534804137 /nfs/dbraw/zinc/80/41/37/534804137.db2.gz OCQVOLWWIBAXTE-SECBINFHSA-N 0 0 318.192 3.133 10 30 DGEERN N#Cc1ccnc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000436013536 534823515 /nfs/dbraw/zinc/82/35/15/534823515.db2.gz MWFSGQBHXMJXIM-UHFFFAOYSA-N 0 0 322.151 3.278 10 30 DGEERN N#Cc1ccnc(NC(=O)CCCOc2ccc(F)cc2F)c1 ZINC000436010224 534824058 /nfs/dbraw/zinc/82/40/58/534824058.db2.gz XHKDHLKFAKWAQB-UHFFFAOYSA-N 0 0 317.295 3.029 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ncsc2-c2ccccc2)c1 ZINC000435995691 534825400 /nfs/dbraw/zinc/82/54/00/534825400.db2.gz NZLOWSCTGGFEJF-UHFFFAOYSA-N 0 0 306.350 3.329 10 30 DGEERN COc1ccc2c(c1)CN(C(=O)c1ccc(C#N)cc1C)CC2 ZINC000162919051 525538788 /nfs/dbraw/zinc/53/87/88/525538788.db2.gz JFPPFDZXNZDYCS-UHFFFAOYSA-N 0 0 306.365 3.074 10 30 DGEERN CC#CCCCC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000341527987 526288558 /nfs/dbraw/zinc/28/85/58/526288558.db2.gz JXCIEGWJOZZCHU-CYBMUJFWSA-N 0 0 308.447 3.393 10 30 DGEERN CC#CCCCC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000185072425 526299557 /nfs/dbraw/zinc/29/95/57/526299557.db2.gz FGKAKEBAZXSBAE-UHFFFAOYSA-N 0 0 311.328 3.106 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)Nc1nc(COC)cs1 ZINC000352745771 526319942 /nfs/dbraw/zinc/31/99/42/526319942.db2.gz LTOUGFVIWXWGAI-UHFFFAOYSA-N 0 0 321.402 3.145 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1nc2c(s1)CCC2 ZINC000415406562 526324060 /nfs/dbraw/zinc/32/40/60/526324060.db2.gz ONOUWNZZZVPVMV-UHFFFAOYSA-N 0 0 302.399 3.096 10 30 DGEERN C=CCN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000184973733 526332769 /nfs/dbraw/zinc/33/27/69/526332769.db2.gz KPAJWXIGJHAWPM-UHFFFAOYSA-N 0 0 308.385 3.263 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CSC1(C)C ZINC000282814134 526344199 /nfs/dbraw/zinc/34/41/99/526344199.db2.gz IHMGRTNTVIYDEP-OAHLLOKOSA-N 0 0 315.442 3.150 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)C(C)(F)F ZINC000339376563 526348334 /nfs/dbraw/zinc/34/83/34/526348334.db2.gz KFRWLIQOODQXMJ-LLVKDONJSA-N 0 0 312.316 3.401 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000422230887 526355424 /nfs/dbraw/zinc/35/54/24/526355424.db2.gz CXTJFMHDKTVRIX-DLBZAZTESA-N 0 0 302.418 3.342 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1oc(CO)cc1C ZINC000339266691 526364407 /nfs/dbraw/zinc/36/44/07/526364407.db2.gz YIFAARRRLIXKSR-UHFFFAOYSA-N 0 0 303.333 3.048 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cc(C(=O)OC)co1 ZINC000184160903 526364588 /nfs/dbraw/zinc/36/45/88/526364588.db2.gz ZWXFPALEJWFKMX-UHFFFAOYSA-N 0 0 317.316 3.034 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000431399963 526364838 /nfs/dbraw/zinc/36/48/38/526364838.db2.gz JMVIGFRDSOUMQI-UHFFFAOYSA-N 0 0 300.333 3.063 10 30 DGEERN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc(Cl)c2F)C1=O ZINC000337232568 526503620 /nfs/dbraw/zinc/50/36/20/526503620.db2.gz VOJXBZNHNMHDAE-RISCZKNCSA-N 0 0 310.800 3.259 10 30 DGEERN C=C(C)CN(C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343715432 526503865 /nfs/dbraw/zinc/50/38/65/526503865.db2.gz AFLLFQJPZMZUMQ-UHFFFAOYSA-N 0 0 315.417 3.241 10 30 DGEERN C=CCN1CC[C@H](N(CC)c2ccc(Br)cc2)C1=O ZINC000337131292 526505726 /nfs/dbraw/zinc/50/57/26/526505726.db2.gz CKBSLWDAMJGQKY-AWEZNQCLSA-N 0 0 323.234 3.062 10 30 DGEERN C=C(C)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO1 ZINC000339025030 526508419 /nfs/dbraw/zinc/50/84/19/526508419.db2.gz ZUFCIAMWDCNJBD-AWEZNQCLSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)CN(CC)C(=O)CSCc1ccc(COC)cc1 ZINC000419477650 526528123 /nfs/dbraw/zinc/52/81/23/526528123.db2.gz IIWMAHPOUVWNSI-UHFFFAOYSA-N 0 0 307.459 3.491 10 30 DGEERN C=C(C)CN(CC)C(=O)COc1cccc(N2CCCC2)c1 ZINC000352214657 526528780 /nfs/dbraw/zinc/52/87/80/526528780.db2.gz SDQBUEZMQQLTFX-UHFFFAOYSA-N 0 0 302.418 3.090 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)COCc1cc(C)no1 ZINC000337997887 526564657 /nfs/dbraw/zinc/56/46/57/526564657.db2.gz NPEJTWQOZVPDEA-UHFFFAOYSA-N 0 0 314.385 3.105 10 30 DGEERN C=C(C)COCCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000136151201 526630892 /nfs/dbraw/zinc/63/08/92/526630892.db2.gz VYTCIMPZXQZPNQ-UHFFFAOYSA-N 0 0 300.402 3.118 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000128787917 526646803 /nfs/dbraw/zinc/64/68/03/526646803.db2.gz XHYPQIUSYLRXIE-HNNXBMFYSA-N 0 0 308.809 3.219 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000185560551 526663957 /nfs/dbraw/zinc/66/39/57/526663957.db2.gz LGRHZBGMLNVURE-ZDUSSCGKSA-N 0 0 304.459 3.461 10 30 DGEERN C=C(C)CS(=O)(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000435444795 526679228 /nfs/dbraw/zinc/67/92/28/526679228.db2.gz SSIUCWXQSWODMS-UHFFFAOYSA-N 0 0 324.833 3.016 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000342243064 526696167 /nfs/dbraw/zinc/69/61/67/526696167.db2.gz ZDNWWOBQSMGWET-OAHLLOKOSA-N 0 0 309.413 3.359 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000185416072 526699217 /nfs/dbraw/zinc/69/92/17/526699217.db2.gz WJHVNIZCHBATCW-HZPDHXFCSA-N 0 0 316.445 3.240 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000185093548 526699824 /nfs/dbraw/zinc/69/98/24/526699824.db2.gz PNIANSCLRWQTEY-ZIAGYGMSSA-N 0 0 306.475 3.213 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000341656077 526701147 /nfs/dbraw/zinc/70/11/47/526701147.db2.gz TXHCRWQXWKQVII-PWSUYJOCSA-N 0 0 324.446 3.408 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000185298605 526703862 /nfs/dbraw/zinc/70/38/62/526703862.db2.gz UUOHXQKFZOSXGG-OAHLLOKOSA-N 0 0 302.418 3.372 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000184990989 526710816 /nfs/dbraw/zinc/71/08/16/526710816.db2.gz INVYTIRYOYEERE-HNNXBMFYSA-N 0 0 302.418 3.269 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000185841629 526711600 /nfs/dbraw/zinc/71/16/00/526711600.db2.gz WXCTWHBNYNYJCG-RDJZCZTQSA-N 0 0 317.429 3.381 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000185849529 526712190 /nfs/dbraw/zinc/71/21/90/526712190.db2.gz FWXQCHMZSDTYDC-LBPRGKRZSA-N 0 0 301.415 3.424 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000345265266 526714804 /nfs/dbraw/zinc/71/48/04/526714804.db2.gz QNKPVUNXHJKCTO-VIFPVBQESA-N 0 0 306.316 3.291 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000289613735 526715600 /nfs/dbraw/zinc/71/56/00/526715600.db2.gz HUZUHYDQNYXJRJ-ZDUSSCGKSA-N 0 0 309.373 3.446 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(OCCOC)nc2)no1 ZINC000290045088 526715995 /nfs/dbraw/zinc/71/59/95/526715995.db2.gz JGLYLEJXGQAVRF-LBPRGKRZSA-N 0 0 303.362 3.227 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCSC(C)(C)C1 ZINC000338791297 526719024 /nfs/dbraw/zinc/71/90/24/526719024.db2.gz ZPMWXVWNCAFUSY-UHFFFAOYSA-N 0 0 318.446 3.446 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000358947327 526724457 /nfs/dbraw/zinc/72/44/57/526724457.db2.gz DNBWFXYPEWTOKX-HNNXBMFYSA-N 0 0 318.465 3.375 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC ZINC000338810201 526736517 /nfs/dbraw/zinc/73/65/17/526736517.db2.gz YLLCEPHUOWTFQL-ZIAGYGMSSA-N 0 0 306.454 3.229 10 30 DGEERN C=CCOCCCC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000370544161 526738658 /nfs/dbraw/zinc/73/86/58/526738658.db2.gz PQJRIUQKTAAAPO-UHFFFAOYSA-N 0 0 316.445 3.002 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCc2cc(OC)c(F)cc2C1)OCC ZINC000347015052 526745361 /nfs/dbraw/zinc/74/53/61/526745361.db2.gz VKTFFQFRFGLASW-MRXNPFEDSA-N 0 0 321.392 3.090 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000362395060 526762892 /nfs/dbraw/zinc/76/28/92/526762892.db2.gz HAAJSLPAFKOXOJ-WMZOPIPTSA-N 0 0 315.413 3.215 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)s1 ZINC000408411679 526788276 /nfs/dbraw/zinc/78/82/76/526788276.db2.gz JSWISBGIAYQVBB-QWRGUYRKSA-N 0 0 312.460 3.016 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1snnc1C(C)(C)C ZINC000331226435 526790964 /nfs/dbraw/zinc/79/09/64/526790964.db2.gz FJOWBCHQHKUOCB-QWRGUYRKSA-N 0 0 309.435 3.121 10 30 DGEERN C=C(C)[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(F)c(F)c1 ZINC000358654781 526817728 /nfs/dbraw/zinc/81/77/28/526817728.db2.gz SUPRRLCAKIZSOC-INIZCTEOSA-N 0 0 307.340 3.458 10 30 DGEERN C=C(C)[C@H](NCc1nnnn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000360628059 526820173 /nfs/dbraw/zinc/82/01/73/526820173.db2.gz FHAHXZWXRFDEDL-HNNXBMFYSA-N 0 0 321.375 3.113 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCc1cc(F)ccc1F ZINC000437492581 526828845 /nfs/dbraw/zinc/82/88/45/526828845.db2.gz JJNPDJVUBIFFTF-RDTXWAMCSA-N 0 0 323.383 3.385 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(N(C)C)c1C ZINC000436382932 526832089 /nfs/dbraw/zinc/83/20/89/526832089.db2.gz CYTWJTWRQBCQLO-RHSMWYFYSA-N 0 0 317.433 3.164 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000355637311 526841606 /nfs/dbraw/zinc/84/16/06/526841606.db2.gz 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/nfs/dbraw/zinc/88/75/03/526887503.db2.gz KATWUQWZYOPMAT-AWEZNQCLSA-N 0 0 321.417 3.239 10 30 DGEERN C=CCOc1cccc(CN(C)[C@@H](CC(C)C)C(=O)OC)c1 ZINC000430196558 526896204 /nfs/dbraw/zinc/89/62/04/526896204.db2.gz LWMJODSUMLHCCH-KRWDZBQOSA-N 0 0 305.418 3.271 10 30 DGEERN C=C1CCN(C(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000340161274 526896910 /nfs/dbraw/zinc/89/69/10/526896910.db2.gz XUCYMMIHKHCVIJ-GOSISDBHSA-N 0 0 315.413 3.102 10 30 DGEERN C=C1CCN(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000342004241 526901278 /nfs/dbraw/zinc/90/12/78/526901278.db2.gz NNPLHUDKJUMGKY-QGZVFWFLSA-N 0 0 312.457 3.466 10 30 DGEERN C=C1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000349766709 526906217 /nfs/dbraw/zinc/90/62/17/526906217.db2.gz CWEJGMRGCNNGFE-UHFFFAOYSA-N 0 0 303.786 3.128 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC(c2ccccc2F)C1 ZINC000361219489 526955109 /nfs/dbraw/zinc/95/51/09/526955109.db2.gz FBPCXRJVRPNKJR-UHFFFAOYSA-N 0 0 312.344 3.025 10 30 DGEERN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161578144 526960177 /nfs/dbraw/zinc/96/01/77/526960177.db2.gz GMAOQWFBQHHEOS-UHFFFAOYSA-N 0 0 307.353 3.386 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000341451084 526964161 /nfs/dbraw/zinc/96/41/61/526964161.db2.gz GFPVTGFTLFYYHW-ZDUSSCGKSA-N 0 0 314.385 3.299 10 30 DGEERN C=CC1CCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000340159006 526977326 /nfs/dbraw/zinc/97/73/26/526977326.db2.gz AFOHVFKYZDTPJG-AWEZNQCLSA-N 0 0 320.458 3.384 10 30 DGEERN C=CCSCCNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000430785371 526985698 /nfs/dbraw/zinc/98/56/98/526985698.db2.gz VALGNJUOXKSNPR-MRXNPFEDSA-N 0 0 305.443 3.116 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000292742679 526988171 /nfs/dbraw/zinc/98/81/71/526988171.db2.gz JVWHQEQFAJJVGZ-MRXNPFEDSA-N 0 0 303.402 3.197 10 30 DGEERN C=CCSCCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000174144277 527002188 /nfs/dbraw/zinc/00/21/88/527002188.db2.gz LBZQZTOQLNIFIC-UHFFFAOYSA-N 0 0 304.459 3.326 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000432362486 527008917 /nfs/dbraw/zinc/00/89/17/527008917.db2.gz LULJJMQSYFXQFJ-UHFFFAOYSA-N 0 0 300.406 3.273 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000432566947 527010334 /nfs/dbraw/zinc/01/03/34/527010334.db2.gz DROSADZGCSRGJT-HNNXBMFYSA-N 0 0 318.465 3.223 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129210883 527023021 /nfs/dbraw/zinc/02/30/21/527023021.db2.gz LITXKSUITRKBRS-CZUORRHYSA-N 0 0 306.381 3.182 10 30 DGEERN C#CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184754656 527024242 /nfs/dbraw/zinc/02/42/42/527024242.db2.gz WKRLIOVNNPIBFZ-TZMCWYRMSA-N 0 0 312.196 3.211 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000130746612 527025297 /nfs/dbraw/zinc/02/52/97/527025297.db2.gz MXYCJSSFQOQXOQ-GOSISDBHSA-N 0 0 315.413 3.364 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000343927136 527030604 /nfs/dbraw/zinc/03/06/04/527030604.db2.gz BBHQNVOKNFFOJJ-MRXNPFEDSA-N 0 0 312.417 3.311 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000342364983 527030992 /nfs/dbraw/zinc/03/09/92/527030992.db2.gz XJWDEJNMEYWNEJ-CYBMUJFWSA-N 0 0 307.353 3.440 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000121335150 527031169 /nfs/dbraw/zinc/03/11/69/527031169.db2.gz GJJZHBBJUYEIEZ-CYBMUJFWSA-N 0 0 301.386 3.403 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000153192592 527031892 /nfs/dbraw/zinc/03/18/92/527031892.db2.gz BXWPEVZFBVLOOK-AWEZNQCLSA-N 0 0 319.836 3.198 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000341443479 527047959 /nfs/dbraw/zinc/04/79/59/527047959.db2.gz XBHGFRGWSAHPPW-KGLIPLIRSA-N 0 0 312.479 3.085 10 30 DGEERN C=CCC1(C(=O)NCc2cccc(OCCOC)c2)CCC1 ZINC000358506706 527056232 /nfs/dbraw/zinc/05/62/32/527056232.db2.gz YCOBDVOJIRLGIR-UHFFFAOYSA-N 0 0 303.402 3.074 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCC1 ZINC000412947973 527059318 /nfs/dbraw/zinc/05/93/18/527059318.db2.gz LNNPIJYCUURDBI-HNNXBMFYSA-N 0 0 302.393 3.267 10 30 DGEERN C=CCC1(C(=O)Nc2cc3c(cc2C)OCO3)CCOCC1 ZINC000424766453 527060176 /nfs/dbraw/zinc/06/01/76/527060176.db2.gz USBJYCCPBWLLFB-UHFFFAOYSA-N 0 0 303.358 3.035 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(OCCOC)c2)CCOCC1 ZINC000424606683 527060838 /nfs/dbraw/zinc/06/08/38/527060838.db2.gz SQFXNCXILYUADB-UHFFFAOYSA-N 0 0 319.401 3.023 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)[C@H](Sc1ccccc1)C(C)C ZINC000342208256 527072635 /nfs/dbraw/zinc/07/26/35/527072635.db2.gz MEJQTAVEWVYHEN-GDBMZVCRSA-N 0 0 307.459 3.104 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1N1CCCCCC1 ZINC000183505213 527095453 /nfs/dbraw/zinc/09/54/53/527095453.db2.gz OQPVCAGNSTUOGO-HNNXBMFYSA-N 0 0 317.433 3.126 10 30 DGEERN C=CCCCC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000176340969 527110575 /nfs/dbraw/zinc/11/05/75/527110575.db2.gz JUUSDJQOXGTFLH-MRXNPFEDSA-N 0 0 303.402 3.462 10 30 DGEERN C=CCCCCCn1c(-c2ccc(OC)c(OC)c2)noc1=O ZINC000447299134 527139831 /nfs/dbraw/zinc/13/98/31/527139831.db2.gz ODIITSOSXWUACK-UHFFFAOYSA-N 0 0 318.373 3.267 10 30 DGEERN C=CCCCCNC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000366737236 527159933 /nfs/dbraw/zinc/15/99/33/527159933.db2.gz PXEQRICYHDJRDX-IRXDYDNUSA-N 0 0 302.418 3.420 10 30 DGEERN C=CCCCCNC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000366737234 527161033 /nfs/dbraw/zinc/16/10/33/527161033.db2.gz PXEQRICYHDJRDX-IAGOWNOFSA-N 0 0 302.418 3.420 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000288196263 527161806 /nfs/dbraw/zinc/16/18/06/527161806.db2.gz PDQAJYBVFRJSNN-LSDHHAIUSA-N 0 0 324.346 3.261 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)c1ccncc1 ZINC000287387023 527161897 /nfs/dbraw/zinc/16/18/97/527161897.db2.gz NEMTYZGCLHHBRV-OALUTQOASA-N 0 0 321.424 3.467 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc(C)nc1C(C)C ZINC000287140767 527173668 /nfs/dbraw/zinc/17/36/68/527173668.db2.gz FUDPSSSYFUXQEI-QGZVFWFLSA-N 0 0 321.424 3.273 10 30 DGEERN C=CCCCN(C)C(=O)CCCC(=O)c1cccc(OC)c1 ZINC000295001301 527181072 /nfs/dbraw/zinc/18/10/72/527181072.db2.gz MAEFJAJLDRJKQL-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN C=CCCCN(C)C(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000346934327 527181509 /nfs/dbraw/zinc/18/15/09/527181509.db2.gz DQMSWHBXTKONHN-UHFFFAOYSA-N 0 0 319.401 3.091 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000132769282 527184684 /nfs/dbraw/zinc/18/46/84/527184684.db2.gz ZEAXCOJZUNOATR-CYBMUJFWSA-N 0 0 318.417 3.126 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000133427721 527187260 /nfs/dbraw/zinc/18/72/60/527187260.db2.gz CGUOURPUTVZRHC-UHFFFAOYSA-N 0 0 317.433 3.262 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000133206502 527188236 /nfs/dbraw/zinc/18/82/36/527188236.db2.gz NHKULZNGXYRRPI-UHFFFAOYSA-N 0 0 315.417 3.353 10 30 DGEERN C=CC[C@H](CO)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000185818107 527193823 /nfs/dbraw/zinc/19/38/23/527193823.db2.gz BMNRTXHSQPAYCC-BXUZGUMPSA-N 0 0 315.335 3.252 10 30 DGEERN C=CCCCN(C)c1nnc([C@H](C)CC)n1C[C@H]1CCOC1 ZINC000339161513 527195841 /nfs/dbraw/zinc/19/58/41/527195841.db2.gz FYVCZBVDVOYBSI-HUUCEWRRSA-N 0 0 306.454 3.231 10 30 DGEERN C=CCCCN(C)c1nnc(-c2cccc3cccnc32)n1C ZINC000337920310 527195880 /nfs/dbraw/zinc/19/58/80/527195880.db2.gz YIQVDHCAPUOPML-UHFFFAOYSA-N 0 0 307.401 3.433 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000346772687 527198642 /nfs/dbraw/zinc/19/86/42/527198642.db2.gz AJRPEVBPMRBPJT-HUUCEWRRSA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000183478718 527198825 /nfs/dbraw/zinc/19/88/25/527198825.db2.gz SROXPLSXTKFFSH-IUODEOHRSA-N 0 0 310.825 3.273 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1OC1CCCC1 ZINC000184143300 527204389 /nfs/dbraw/zinc/20/43/89/527204389.db2.gz BQFZGNRTKHUXDO-CYBMUJFWSA-N 0 0 304.390 3.067 10 30 DGEERN C=CC[C@H](CO)Nc1ccc2cc(Br)ccc2n1 ZINC000302117526 527211760 /nfs/dbraw/zinc/21/17/60/527211760.db2.gz DJSVTOCUCOCSAL-GFCCVEGCSA-N 0 0 307.191 3.346 10 30 DGEERN C=CCCCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424842979 527216603 /nfs/dbraw/zinc/21/66/03/527216603.db2.gz BEPYBOLTGLDFCW-UHFFFAOYSA-N 0 0 323.190 3.215 10 30 DGEERN C=CCCCNC(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000448042663 527219556 /nfs/dbraw/zinc/21/95/56/527219556.db2.gz KCLQYZWBKWNNPE-UHFFFAOYSA-N 0 0 311.385 3.044 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000302092777 527223005 /nfs/dbraw/zinc/22/30/05/527223005.db2.gz HSWJTYRDPQTMBC-LJQANCHMSA-N 0 0 322.364 3.044 10 30 DGEERN C=CCc1cccc(C(C)C)c1NCC(=O)NC(=O)NCCC ZINC000352554789 527261422 /nfs/dbraw/zinc/26/14/22/527261422.db2.gz WKMJPUVGQNZYLO-UHFFFAOYSA-N 0 0 317.433 3.186 10 30 DGEERN C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC ZINC000337766798 527266617 /nfs/dbraw/zinc/26/66/17/527266617.db2.gz BYINEOFJHLTNCS-UHFFFAOYSA-N 0 0 309.373 3.242 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000343357228 527267596 /nfs/dbraw/zinc/26/75/96/527267596.db2.gz KJDHTKLNQWHKRO-HIFRSBDPSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccco1 ZINC000350788178 527277143 /nfs/dbraw/zinc/27/71/43/527277143.db2.gz CACDZBMNHUZWHM-HNNXBMFYSA-N 0 0 321.384 3.461 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2cccc(F)c2C1 ZINC000351172655 527280829 /nfs/dbraw/zinc/28/08/29/527280829.db2.gz VRVKEBLAZVFWNJ-UHFFFAOYSA-N 0 0 324.359 3.426 10 30 DGEERN CC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCOC2)cc1Cl ZINC000330815702 527288135 /nfs/dbraw/zinc/28/81/35/527288135.db2.gz OLYWSMUCCYDLLF-MWLCHTKSSA-N 0 0 310.781 3.294 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373764547 527289096 /nfs/dbraw/zinc/28/90/96/527289096.db2.gz DNSCSZXAYJSBIC-NBOOPKSLSA-N 0 0 324.465 3.099 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCO[C@H](c2ccsc2)C1 ZINC000337862509 527291262 /nfs/dbraw/zinc/29/12/62/527291262.db2.gz NYVPYMMREATZLJ-AWEZNQCLSA-N 0 0 318.446 3.227 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000353482354 527295611 /nfs/dbraw/zinc/29/56/11/527295611.db2.gz YSDHZFILEBLLIM-ZDUSSCGKSA-N 0 0 300.402 3.053 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442747918 527296831 /nfs/dbraw/zinc/29/68/31/527296831.db2.gz JPRANGSBXJMUJH-JTQLQIEISA-N 0 0 322.352 3.124 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337864024 527300872 /nfs/dbraw/zinc/30/08/72/527300872.db2.gz OXEIYTBKWAULOB-QGZVFWFLSA-N 0 0 318.371 3.295 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000350623108 527308270 /nfs/dbraw/zinc/30/82/70/527308270.db2.gz KPZHUXAOIAXSPH-CQSZACIVSA-N 0 0 316.449 3.127 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@H]1C ZINC000350751133 527319704 /nfs/dbraw/zinc/31/97/04/527319704.db2.gz ASSOMWUAMOCUEN-ZIAGYGMSSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCCC(C)(C)C1 ZINC000337904237 527320273 /nfs/dbraw/zinc/32/02/73/527320273.db2.gz LWYGSUQSHWJEOP-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@@H]1C ZINC000350751130 527320912 /nfs/dbraw/zinc/32/09/12/527320912.db2.gz ASSOMWUAMOCUEN-KBPBESRZSA-N 0 0 300.406 3.077 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000337846537 527328363 /nfs/dbraw/zinc/32/83/63/527328363.db2.gz HOPDQFCUCOZWIA-HOTGVXAUSA-N 0 0 323.444 3.076 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC2(CCOCC2)[C@@H]1C ZINC000351120045 527356700 /nfs/dbraw/zinc/35/67/00/527356700.db2.gz VZBPYFPPCWDDSG-CABCVRRESA-N 0 0 318.465 3.373 10 30 DGEERN C=CCCOCCNC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000338529624 527359389 /nfs/dbraw/zinc/35/93/89/527359389.db2.gz FVYPLRDKVAOPME-UHFFFAOYSA-N 0 0 317.311 3.123 10 30 DGEERN C=CCn1c2ccccc2nc1SCC1(C(=O)OC)CC1 ZINC000412977796 527361977 /nfs/dbraw/zinc/36/19/77/527361977.db2.gz MBUZAYWFKAVUQZ-UHFFFAOYSA-N 0 0 302.399 3.268 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128845926 527375911 /nfs/dbraw/zinc/37/59/11/527375911.db2.gz CQNSFBBNBNSWEH-YOEHRIQHSA-N 0 0 321.392 3.015 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159565379 527388843 /nfs/dbraw/zinc/38/88/43/527388843.db2.gz DOAGKJAJRKYLSA-CQSZACIVSA-N 0 0 303.377 3.423 10 30 DGEERN C=C[C@@H](CC(=O)N(C)c1cccnc1N(C)C)c1ccccc1 ZINC000122243977 527418067 /nfs/dbraw/zinc/41/80/67/527418067.db2.gz NGTCWDMWKJPHOZ-HNNXBMFYSA-N 0 0 309.413 3.470 10 30 DGEERN C=CCCS(=O)(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000180836680 527419502 /nfs/dbraw/zinc/41/95/02/527419502.db2.gz WTIZUCCPTINICM-ZDUSSCGKSA-N 0 0 315.822 3.049 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000426205317 527450388 /nfs/dbraw/zinc/45/03/88/527450388.db2.gz LEEWGGKDYFCMPS-GFCCVEGCSA-N 0 0 312.335 3.397 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000424933358 527494581 /nfs/dbraw/zinc/49/45/81/527494581.db2.gz QCNBSDBHXWYIJN-BBRMVZONSA-N 0 0 318.804 3.002 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000424935156 527496033 /nfs/dbraw/zinc/49/60/33/527496033.db2.gz WYMQMGUWVOJZKY-IPYPFGDCSA-N 0 0 323.820 3.123 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000353655338 527508497 /nfs/dbraw/zinc/50/84/97/527508497.db2.gz GQXNTUYGSPBVGJ-CQSZACIVSA-N 0 0 310.401 3.207 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000337144906 527511103 /nfs/dbraw/zinc/51/11/03/527511103.db2.gz XBBSODDNJIZOMH-UHFFFAOYSA-N 0 0 314.345 3.182 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000293860966 527521244 /nfs/dbraw/zinc/52/12/44/527521244.db2.gz VWDAEECYPSSEBW-AWEZNQCLSA-N 0 0 300.324 3.361 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000353485598 527529114 /nfs/dbraw/zinc/52/91/14/527529114.db2.gz CKFSKSRSZUYKPQ-WMZOPIPTSA-N 0 0 309.450 3.023 10 30 DGEERN C=CCN(C)c1nnc(CCCc2cccs2)n1CC=C ZINC000337873549 527578921 /nfs/dbraw/zinc/57/89/21/527578921.db2.gz WZVODYXRINIGTH-UHFFFAOYSA-N 0 0 302.447 3.323 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCOc1ccc(F)cc1 ZINC000342002813 527584803 /nfs/dbraw/zinc/58/48/03/527584803.db2.gz COCBMRBGVLZOET-UHFFFAOYSA-N 0 0 305.271 3.172 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134337790 527597108 /nfs/dbraw/zinc/59/71/08/527597108.db2.gz CDEWIDVEYNCERG-HNNXBMFYSA-N 0 0 301.434 3.425 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)OC)co1 ZINC000184843539 527597363 /nfs/dbraw/zinc/59/73/63/527597363.db2.gz SDIQAIQLJREQEU-UHFFFAOYSA-N 0 0 305.374 3.275 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134337768 527597553 /nfs/dbraw/zinc/59/75/53/527597553.db2.gz CDEWIDVEYNCERG-OAHLLOKOSA-N 0 0 301.434 3.425 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cnn2c1CCCC2 ZINC000126805443 527598613 /nfs/dbraw/zinc/59/86/13/527598613.db2.gz UNCOSZSFGBNZIQ-UHFFFAOYSA-N 0 0 301.434 3.428 10 30 DGEERN C=C[C@](C)(CC)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000135049428 527610429 /nfs/dbraw/zinc/61/04/29/527610429.db2.gz GMIAVEYHCGZDCO-MRXNPFEDSA-N 0 0 307.463 3.004 10 30 DGEERN C=CCN(CC=C)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000155100983 527621393 /nfs/dbraw/zinc/62/13/93/527621393.db2.gz XTKPMGYTLIEGMZ-UHFFFAOYSA-N 0 0 310.401 3.064 10 30 DGEERN CC(C)(C)C1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000194762500 527634348 /nfs/dbraw/zinc/63/43/48/527634348.db2.gz QZVXJBTVFQFVLU-UHFFFAOYSA-N 0 0 300.402 3.222 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1cnc(C)cn1 ZINC000427665552 527637698 /nfs/dbraw/zinc/63/76/98/527637698.db2.gz XKKINTLLJPBWOX-KBPBESRZSA-N 0 0 305.447 3.168 10 30 DGEERN C=CCN(CC=C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000448315989 527641288 /nfs/dbraw/zinc/64/12/88/527641288.db2.gz MSPZNNCAASUCAU-UHFFFAOYSA-N 0 0 318.376 3.496 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000329701439 527808541 /nfs/dbraw/zinc/80/85/41/527808541.db2.gz HKMHBDGZXGXCGT-TUVASFSCSA-N 0 0 315.479 3.371 10 30 DGEERN CC1(CCNc2c(C#N)cnc3ccc(Cl)cc32)OCCO1 ZINC000302144416 527927516 /nfs/dbraw/zinc/92/75/16/527927516.db2.gz GWUCEILNIZTFKZ-UHFFFAOYSA-N 0 0 317.776 3.325 10 30 DGEERN CCO[C@@H]1C[C@](NCCCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000444671061 527983132 /nfs/dbraw/zinc/98/31/32/527983132.db2.gz HYBDDFBPZXQPDG-KDOFPFPSSA-N 0 0 324.465 3.043 10 30 DGEERN CC(C)c1ccc([C@@H](C)NS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000183761243 528130131 /nfs/dbraw/zinc/13/01/31/528130131.db2.gz BQBFTHZKEQAJAW-CYBMUJFWSA-N 0 0 306.431 3.094 10 30 DGEERN CCOC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000158787596 528237387 /nfs/dbraw/zinc/23/73/87/528237387.db2.gz JNRIEDHHLQCRGR-UHFFFAOYSA-N 0 0 308.337 3.296 10 30 DGEERN CC(C)[C@@H](C(=O)NCCC(=O)N1CCCCC1)c1ccncc1 ZINC000329262533 528335507 /nfs/dbraw/zinc/33/55/07/528335507.db2.gz ZMPYYKRWWXLOON-QGZVFWFLSA-N 0 0 317.433 3.180 10 30 DGEERN CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000328740179 528427704 /nfs/dbraw/zinc/42/77/04/528427704.db2.gz LPQABMQOPVYURD-AAEUAGOBSA-N 0 0 301.394 3.176 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171567960 528748138 /nfs/dbraw/zinc/74/81/38/528748138.db2.gz PNIFPMPXXOWXAH-UHFFFAOYSA-N 0 0 318.377 3.090 10 30 DGEERN CCCOc1nc(C)ccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000191141582 528787159 /nfs/dbraw/zinc/78/71/59/528787159.db2.gz PJKZRQZMHKADDA-UHFFFAOYSA-N 0 0 309.369 3.497 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000356990356 528839106 /nfs/dbraw/zinc/83/91/06/528839106.db2.gz STFJYPSTLFNRSH-JSGCOSHPSA-N 0 0 304.340 3.221 10 30 DGEERN CCC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)[O-] ZINC000263394424 529003365 /nfs/dbraw/zinc/00/33/65/529003365.db2.gz GDNCZXJYHMXWAJ-UPTPFMHGSA-N 0 0 300.402 3.233 10 30 DGEERN CCC1(CC)CN(c2ccc(C#N)c(Cl)c2)CC[S@@]1=O ZINC000302234093 529085970 /nfs/dbraw/zinc/08/59/70/529085970.db2.gz ZZRLQUWRDJCWML-HXUWFJFHSA-N 0 0 310.850 3.339 10 30 DGEERN CC1(C)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000180527309 529103965 /nfs/dbraw/zinc/10/39/65/529103965.db2.gz BLPJYHLXABSAFX-UHFFFAOYSA-N 0 0 300.427 3.209 10 30 DGEERN CC[C@H](CC#N)NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000183799830 529296884 /nfs/dbraw/zinc/29/68/84/529296884.db2.gz DNLUMSSEXWOHON-OAHLLOKOSA-N 0 0 320.820 3.197 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000190243562 546216201 /nfs/dbraw/zinc/21/62/01/546216201.db2.gz VPGURWZKRROHDA-GJZGRUSLSA-N 0 0 304.409 3.465 10 30 DGEERN Cc1c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)ccn1C ZINC000195296122 546255036 /nfs/dbraw/zinc/25/50/36/546255036.db2.gz SITATCFLTAJXTI-UHFFFAOYSA-N 0 0 320.314 3.134 10 30 DGEERN Cc1nc([C@H](C)NC(=O)[C@H]2COCCN2C2CCCC2)cs1 ZINC000329559175 546487449 /nfs/dbraw/zinc/48/74/49/546487449.db2.gz QXAOPHAMPUUERG-XHDPSFHLSA-N 0 0 323.462 3.112 10 30 DGEERN O=C(COC[C@@H]1CCOC1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000329668176 546489417 /nfs/dbraw/zinc/48/94/17/546489417.db2.gz RVUJGJVHUJDIJC-IUODEOHRSA-N 0 0 323.364 3.049 10 30 DGEERN O=C(NCC[C@@H]1CCOC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000329684804 546490734 /nfs/dbraw/zinc/49/07/34/546490734.db2.gz ZQTMACHZIGBXNJ-GRYCIOLGSA-N 0 0 308.344 3.038 10 30 DGEERN C[C@@H](NC(=O)C1CCC(=O)CC1)c1ccc(-n2cncn2)cc1 ZINC000329830758 546492558 /nfs/dbraw/zinc/49/25/58/546492558.db2.gz KGKJNIKJMKYONA-GFCCVEGCSA-N 0 0 312.373 3.044 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)NCCC2CCCCC2)cn1 ZINC000330353114 546499001 /nfs/dbraw/zinc/49/90/01/546499001.db2.gz OBQMAORFFJODSM-JKSUJKDBSA-N 0 0 305.422 3.425 10 30 DGEERN C=CCn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2[C@H]1C ZINC000350724370 546621085 /nfs/dbraw/zinc/62/10/85/546621085.db2.gz ZOPJUVOSKCDULO-UKRRQHHQSA-N 0 0 310.401 3.049 10 30 DGEERN COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O ZINC000013660070 560220017 /nfs/dbraw/zinc/22/00/17/560220017.db2.gz IAYOHSHBLLHXFB-CMDGGOBGSA-N 0 0 300.310 3.011 10 30 biogenic,in-vitro DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000730428459 574528958 /nfs/dbraw/zinc/52/89/58/574528958.db2.gz DTJMDRRCRMQRSD-GWCFXTLKSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)Cc2csc(C)n2)cc1 ZINC000730427707 574528959 /nfs/dbraw/zinc/52/89/59/574528959.db2.gz OIMIIXNNBTYUNG-LBPRGKRZSA-N 0 0 315.394 3.310 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@@H](C)OCC2CC2)cc1 ZINC000730429235 574529191 /nfs/dbraw/zinc/52/91/91/574529191.db2.gz JAJAVSZMJFUTPL-UONOGXRCSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](C)OCC(C)C ZINC000730424158 574529295 /nfs/dbraw/zinc/52/92/95/574529295.db2.gz RFFPHDZZICECSR-CABCVRRESA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@H](C)OCC(C)C)cc1 ZINC000730426370 574529474 /nfs/dbraw/zinc/52/94/74/574529474.db2.gz VYBQNWMXTAQPLP-GJZGRUSLSA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000730511332 574530833 /nfs/dbraw/zinc/53/08/33/574530833.db2.gz MKMPUZZZRXTPPO-UHFFFAOYSA-N 0 0 311.293 3.134 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000730705463 574534354 /nfs/dbraw/zinc/53/43/54/574534354.db2.gz ZAGNZNAOCCPTOR-ZWNOBZJWSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)CCc2nccs2)c1 ZINC000730701704 574534370 /nfs/dbraw/zinc/53/43/70/574534370.db2.gz QVWGEPCZTRNOHH-ZDUSSCGKSA-N 0 0 315.394 3.392 10 30 DGEERN C#CCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CCCCC1 ZINC000730912239 574538337 /nfs/dbraw/zinc/53/83/37/574538337.db2.gz QPLQVOBAAOHXEW-CALCHBBNSA-N 0 0 319.493 3.227 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@H](COC)c2ccccc2)c1 ZINC000731112266 574543732 /nfs/dbraw/zinc/54/37/32/574543732.db2.gz DQYMIMNQNIFEGA-GOSISDBHSA-N 0 0 324.380 3.208 10 30 DGEERN C#Cc1ccc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)nc1 ZINC000731338433 574547324 /nfs/dbraw/zinc/54/73/24/574547324.db2.gz YEJMCENJDBCISK-UHFFFAOYSA-N 0 0 303.321 3.279 10 30 DGEERN N#C[C@@H]1CCN(Cc2ccc(-c3ccccn3)nc2)CC1(F)F ZINC000575603517 563864871 /nfs/dbraw/zinc/86/48/71/563864871.db2.gz CKAUGLUFGCUGAD-AWEZNQCLSA-N 0 0 314.339 3.124 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)/C=C(\C)c1cccc(F)c1 ZINC000732369037 574572403 /nfs/dbraw/zinc/57/24/03/574572403.db2.gz XMGDNIHOZAASHO-NTEUORMPSA-N 0 0 319.376 3.197 10 30 DGEERN CCCCCCCCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732649646 574577837 /nfs/dbraw/zinc/57/78/37/574577837.db2.gz MSSDYQKXLLIKTN-QGZVFWFLSA-N 0 0 305.466 3.326 10 30 DGEERN C#CCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000733246807 574609756 /nfs/dbraw/zinc/60/97/56/574609756.db2.gz FWTYVPYHKGORJW-UHFFFAOYSA-N 0 0 304.349 3.298 10 30 DGEERN C#CCCNC(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000733339437 574617459 /nfs/dbraw/zinc/61/74/59/574617459.db2.gz MWTUOPBIERROCD-UHFFFAOYSA-N 0 0 323.396 3.313 10 30 DGEERN C#CCCNC(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000733356598 574617557 /nfs/dbraw/zinc/61/75/57/574617557.db2.gz UVQCMGMDARDNQI-UHFFFAOYSA-N 0 0 314.429 3.386 10 30 DGEERN C#CCCOC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 ZINC000733683292 574634309 /nfs/dbraw/zinc/63/43/09/574634309.db2.gz USXXBDAUWXTOEU-UHFFFAOYSA-N 0 0 309.365 3.458 10 30 DGEERN C#CCOc1cccc(COC(=O)CCc2csc(C)n2)c1 ZINC000733697653 574634585 /nfs/dbraw/zinc/63/45/85/574634585.db2.gz JZEGNKPYYNOJHT-UHFFFAOYSA-N 0 0 315.394 3.140 10 30 DGEERN C=C(COC(=O)c1oc2c(cccc2C)c1C)C(=O)OCC ZINC000734028040 574647609 /nfs/dbraw/zinc/64/76/09/574647609.db2.gz CBIJIWPHGFBDBB-UHFFFAOYSA-N 0 0 302.326 3.326 10 30 DGEERN C=C(COC(=O)[C@H](Sc1ccccc1)C(C)C)C(=O)OCC ZINC000734030360 574647863 /nfs/dbraw/zinc/64/78/63/574647863.db2.gz RNXJTCSAWVMJHU-OAHLLOKOSA-N 0 0 322.426 3.466 10 30 DGEERN C=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)OCC ZINC000734023740 574648446 /nfs/dbraw/zinc/64/84/46/574648446.db2.gz ATAZSFNQTOXSNP-UHFFFAOYSA-N 0 0 308.761 3.034 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cnn(CC)c1 ZINC000734079478 574649450 /nfs/dbraw/zinc/64/94/50/574649450.db2.gz QDNRKTBMLBWBCC-UHFFFAOYSA-N 0 0 300.358 3.249 10 30 DGEERN C#CCOc1ccccc1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC000734105014 574650301 /nfs/dbraw/zinc/65/03/01/574650301.db2.gz YEFWMEBGSMXWTJ-INIZCTEOSA-N 0 0 307.393 3.194 10 30 DGEERN Cc1c(CNC(=O)COc2cccc(C#N)c2)oc2ccccc12 ZINC000734340988 574657097 /nfs/dbraw/zinc/65/70/97/574657097.db2.gz FGVREKCZVAZMHM-UHFFFAOYSA-N 0 0 320.348 3.308 10 30 DGEERN C=CCOCC(=O)O[C@H](C)c1cc(C)ccc1OC(F)F ZINC000734733154 574674146 /nfs/dbraw/zinc/67/41/46/574674146.db2.gz XZHDSRNZIJDNGY-LLVKDONJSA-N 0 0 300.301 3.403 10 30 DGEERN C=C(COC(=O)c1cc2c(ccc(C)c2C)[nH]1)C(=O)OCC ZINC000735160097 574690015 /nfs/dbraw/zinc/69/00/15/574690015.db2.gz WPFUENANWKKNDP-UHFFFAOYSA-N 0 0 301.342 3.061 10 30 DGEERN C=CCc1ccc(OC(=O)[C@@H](CC)N(CC)CC)c(OC)c1 ZINC000735994980 574726336 /nfs/dbraw/zinc/72/63/36/574726336.db2.gz VIHUOSGLAKVNJR-OAHLLOKOSA-N 0 0 305.418 3.450 10 30 DGEERN C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)cn1 ZINC000736041217 574729071 /nfs/dbraw/zinc/72/90/71/574729071.db2.gz HKKBQRLCDOSKIT-JTQLQIEISA-N 0 0 302.736 3.346 10 30 DGEERN C=CCCCN(C)C(=O)CCN(C(=O)OC(C)(C)C)C(C)C ZINC000736577528 574759614 /nfs/dbraw/zinc/75/96/14/574759614.db2.gz IOQMJQYPVUPXGB-UHFFFAOYSA-N 0 0 312.454 3.447 10 30 DGEERN C=C(COC(=O)[C@H](Cc1ccccc1)C(C)C)C(=O)OCC ZINC000740263097 574929904 /nfs/dbraw/zinc/92/99/04/574929904.db2.gz LYTREGLEIKJOHX-MRXNPFEDSA-N 0 0 304.386 3.164 10 30 DGEERN CC(CCC1CCCC1)N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000740760584 574941219 /nfs/dbraw/zinc/94/12/19/574941219.db2.gz XSOAWFVBVDDGLF-UHFFFAOYSA-N 0 0 309.435 3.092 10 30 DGEERN C=CCCCN(C)c1c(F)cc([N+](=O)[O-])cc1C(=O)OCC ZINC000740869383 574944129 /nfs/dbraw/zinc/94/41/29/574944129.db2.gz OSRLRJQZOQGIGP-UHFFFAOYSA-N 0 0 310.325 3.313 10 30 DGEERN C(=NNc1ccnc2ccccc21)c1c[nH]c(-c2ccccc2)n1 ZINC000741465056 574958597 /nfs/dbraw/zinc/95/85/97/574958597.db2.gz YDFDBNDZAVNKNY-UHFFFAOYSA-N 0 0 313.364 3.493 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)C[C@H](C)c1cccnc1 ZINC000741638095 574965070 /nfs/dbraw/zinc/96/50/70/574965070.db2.gz HQKWAADSYVKBBI-ZDUSSCGKSA-N 0 0 312.344 3.365 10 30 DGEERN CCCCCCCCOCC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000741683282 574966694 /nfs/dbraw/zinc/96/66/94/574966694.db2.gz OUFFNQVACQCUNX-UHFFFAOYSA-N 0 0 321.465 3.493 10 30 DGEERN C#CCOc1cc(F)ccc1NCc1cnn(-c2ccccc2)n1 ZINC000742376277 574993885 /nfs/dbraw/zinc/99/38/85/574993885.db2.gz OZAFJMBRSXEKDV-UHFFFAOYSA-N 0 0 322.343 3.031 10 30 DGEERN Cn1ccnc1C[C@H](/N=C/c1cccc(O)c1O)c1ccccc1 ZINC000743044464 575032785 /nfs/dbraw/zinc/03/27/85/575032785.db2.gz KCNPSPOCAGIVHU-REIAIGDLSA-N 0 0 321.380 3.234 10 30 DGEERN Cc1cc(C(F)(F)F)c(NCc2ccc(C#N)cc2F)nn1 ZINC000729850540 575264569 /nfs/dbraw/zinc/26/45/69/575264569.db2.gz BLXRUIRPPFNOIJ-UHFFFAOYSA-N 0 0 310.254 3.427 10 30 DGEERN N#CCCCOC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000726011159 575983725 /nfs/dbraw/zinc/98/37/25/575983725.db2.gz JPFSEDLQPAPQCU-UHFFFAOYSA-N 0 0 307.147 3.391 10 30 DGEERN Cc1cc(CCNc2nccnc2C#N)c(C)n1-c1ccccc1 ZINC000726591559 576031657 /nfs/dbraw/zinc/03/16/57/576031657.db2.gz XQAYLCWBBWNDSP-UHFFFAOYSA-N 0 0 317.396 3.410 10 30 DGEERN C=CCc1ccccc1OC(=O)CNC(=O)CCC1CCCC1 ZINC000726729386 576038245 /nfs/dbraw/zinc/03/82/45/576038245.db2.gz FJGZPONKDJMZGX-UHFFFAOYSA-N 0 0 315.413 3.407 10 30 DGEERN C#CCCCOC(=O)CSc1nccn1-c1ccccc1C ZINC000727040577 576097012 /nfs/dbraw/zinc/09/70/12/576097012.db2.gz ABJRAQPJQCSPFN-UHFFFAOYSA-N 0 0 314.410 3.229 10 30 DGEERN C#CCCCOC(=O)/C=C\c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000727041480 576097106 /nfs/dbraw/zinc/09/71/06/576097106.db2.gz LIOFFDXVTXIHLD-CKXPSTMWSA-N 0 0 314.381 3.379 10 30 DGEERN C#CCCCOC(=O)c1ccccc1SCc1nc(C)no1 ZINC000727041379 576097203 /nfs/dbraw/zinc/09/72/03/576097203.db2.gz IJPUZNBYRKCFRY-UHFFFAOYSA-N 0 0 316.382 3.241 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1ccc2c(c1)CCO2 ZINC000727060697 576099477 /nfs/dbraw/zinc/09/94/77/576099477.db2.gz VECSGYSCQNAHHC-UHFFFAOYSA-N 0 0 302.324 3.414 10 30 DGEERN Brc1ccc(N=NC2CCOc3ccccc32)nc1 ZINC000727265173 576115371 /nfs/dbraw/zinc/11/53/71/576115371.db2.gz KLCFUZLXIAQGEI-UHFFFAOYSA-N 0 0 318.174 3.443 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000728482073 576184262 /nfs/dbraw/zinc/18/42/62/576184262.db2.gz FJMSIULQUUNXLL-QGZVFWFLSA-N 0 0 311.768 3.288 10 30 DGEERN C#Cc1cccc(N(C)CC(=O)N(CC)Cc2ccccc2)c1 ZINC000728574273 576188827 /nfs/dbraw/zinc/18/88/27/576188827.db2.gz OUTPVAOUXZZULE-UHFFFAOYSA-N 0 0 306.409 3.153 10 30 DGEERN Cc1cc([C@@H]2CN(C(=O)C#Cc3ccccc3)CCO2)ccc1F ZINC000134821609 617642655 /nfs/dbraw/zinc/64/26/55/617642655.db2.gz AIJIHUXLQHQYOC-IBGZPJMESA-N 0 0 323.367 3.086 10 30 DGEERN C#CCCCCNC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000155039076 620759211 /nfs/dbraw/zinc/75/92/11/620759211.db2.gz ZQPTYCBVBBUQPC-CVEARBPZSA-N 0 0 306.450 3.169 10 30 DGEERN N#C[C@@H](COC(=O)CC[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000111948772 620771633 /nfs/dbraw/zinc/77/16/33/620771633.db2.gz VSWMFLZUPGAFMK-DOTOQJQBSA-N 0 0 319.376 3.400 10 30 DGEERN C[C@@H](Cc1ccccc1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000111949963 620771781 /nfs/dbraw/zinc/77/17/81/620771781.db2.gz CFHFCMNYZRQNHP-HNNXBMFYSA-N 0 0 309.365 3.306 10 30 DGEERN C#CCOc1cccc(COC(=O)CC[C@@H]2CCCCO2)c1 ZINC000111961015 620776935 /nfs/dbraw/zinc/77/69/35/620776935.db2.gz UNASJCKSBMXMGR-INIZCTEOSA-N 0 0 302.370 3.091 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCc1ccc(F)cc1 ZINC000111992654 620779034 /nfs/dbraw/zinc/77/90/34/620779034.db2.gz PRXQSOVFHDDLMN-CYBMUJFWSA-N 0 0 313.328 3.251 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000112148879 620794134 /nfs/dbraw/zinc/79/41/34/620794134.db2.gz ATASVHVUONETSM-PBHICJAKSA-N 0 0 312.413 3.023 10 30 DGEERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435438360 618759178 /nfs/dbraw/zinc/75/91/78/618759178.db2.gz PDFHSCMDNUAAJX-LBPRGKRZSA-N 0 0 320.439 3.010 10 30 DGEERN C#C[C@H](OC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C1CC1 ZINC000152659178 620516641 /nfs/dbraw/zinc/51/66/41/620516641.db2.gz NUQHPPUYEUHADW-SFHVURJKSA-N 0 0 308.381 3.117 10 30 DGEERN C[C@@H]1CC[C@H](OC(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000153243485 620543252 /nfs/dbraw/zinc/54/32/52/620543252.db2.gz IJYFDMFGMIDNKR-KEYYUXOJSA-N 0 0 301.386 3.499 10 30 DGEERN COCc1cccc(C(=O)OC[C@H](C#N)Cc2cccs2)c1 ZINC000153294633 620546881 /nfs/dbraw/zinc/54/68/81/620546881.db2.gz IOPSZOVCMDQEDI-AWEZNQCLSA-N 0 0 315.394 3.434 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccc(F)c(F)c1)Cc1cccs1 ZINC000153294086 620546973 /nfs/dbraw/zinc/54/69/73/620546973.db2.gz VIWZDJUDGACRTG-LBPRGKRZSA-N 0 0 321.348 3.494 10 30 DGEERN COCc1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc1 ZINC000153300740 620547312 /nfs/dbraw/zinc/54/73/12/620547312.db2.gz RLXKFEOMTZKLBS-CQSZACIVSA-N 0 0 315.394 3.434 10 30 DGEERN Cc1cc(S(=O)(=O)OCC(F)(F)F)c(Cl)cc1F ZINC000153609171 620585298 /nfs/dbraw/zinc/58/52/98/620585298.db2.gz YIKKJVJFCIOSFD-UHFFFAOYSA-N 0 0 306.664 3.055 10 30 DGEERN C#CC[C@H](OC(=O)CO[C@@H]1CCCC[C@H]1C)c1ccccn1 ZINC000113662985 620935183 /nfs/dbraw/zinc/93/51/83/620935183.db2.gz BOIKFNXBSJHWIC-OIISXLGYSA-N 0 0 301.386 3.285 10 30 DGEERN CSCCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000114619587 621024451 /nfs/dbraw/zinc/02/44/51/621024451.db2.gz WTPMFGJWMZLIQI-NSHDSACASA-N 0 0 303.412 3.134 10 30 DGEERN COc1ccc(CNc2ccc(F)c([N+](=O)[O-])c2)cc1C#N ZINC000124966199 623264091 /nfs/dbraw/zinc/26/40/91/623264091.db2.gz GBNRIVMRRBFATK-UHFFFAOYSA-N 0 0 301.277 3.226 10 30 DGEERN C[C@@H](OC(=O)CCCc1nc(C(C)(C)C)no1)C(C)(C)C#N ZINC000130624958 625881432 /nfs/dbraw/zinc/88/14/32/625881432.db2.gz MUVJROOFRGYVSI-LLVKDONJSA-N 0 0 307.394 3.171 10 30 DGEERN C#Cc1cccc(N(C)C(=O)Cc2cnc3ccccc3c2)c1 ZINC000130700620 625893190 /nfs/dbraw/zinc/89/31/90/625893190.db2.gz IZGMUSGVLHWDRQ-UHFFFAOYSA-N 0 0 300.361 3.422 10 30 DGEERN C=CCCOC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000103649718 626408396 /nfs/dbraw/zinc/40/83/96/626408396.db2.gz RBBLZQHHRAGYLR-UHFFFAOYSA-N 0 0 305.374 3.444 10 30 DGEERN Cc1cc(Br)ccc1OC(=O)c1cc(C#N)cn1C ZINC000131273533 626617352 /nfs/dbraw/zinc/61/73/52/626617352.db2.gz LRNXGOAHWFKIKA-UHFFFAOYSA-N 0 0 319.158 3.187 10 30 DGEERN COCCOCc1cc(C(=O)O[C@H](C)C(C)(C)C#N)ccc1F ZINC000131467885 626640710 /nfs/dbraw/zinc/64/07/10/626640710.db2.gz IGUAHVHRNFRBAX-GFCCVEGCSA-N 0 0 323.364 3.084 10 30 DGEERN C=CCc1ccc(OC(=O)c2cc(C)nn2CC)c(OC)c1 ZINC000133508274 626794855 /nfs/dbraw/zinc/79/48/55/626794855.db2.gz QNSKGDDWPFSXLX-UHFFFAOYSA-N 0 0 300.358 3.168 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Sc1ccccn1)c1ccccn1 ZINC000135065544 626903961 /nfs/dbraw/zinc/90/39/61/626903961.db2.gz JWWBDDHCHQAVDX-ZFWWWQNUSA-N 0 0 312.394 3.265 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1 ZINC000135065565 626904334 /nfs/dbraw/zinc/90/43/34/626904334.db2.gz JWWBDDHCHQAVDX-HIFRSBDPSA-N 0 0 312.394 3.265 10 30 DGEERN C#CCOCCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000121410434 629950771 /nfs/dbraw/zinc/95/07/71/629950771.db2.gz BCIVNYFMXVLKPT-VIFPVBQESA-N 0 0 318.175 3.350 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C)cc1 ZINC000003445321 630311741 /nfs/dbraw/zinc/31/17/41/630311741.db2.gz WJJKKLIHACYMNJ-ZDUSSCGKSA-N 0 0 309.369 3.030 10 30 DGEERN C=C(Br)CN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121545106 630674722 /nfs/dbraw/zinc/67/47/22/630674722.db2.gz PAMKMLQPWMDKIP-LLVKDONJSA-N 0 0 304.228 3.091 10 30 DGEERN C#CC[C@@H](OC(=O)COc1ccccc1CC)c1ccccn1 ZINC000105549474 630736316 /nfs/dbraw/zinc/73/63/16/630736316.db2.gz PDKIBKWFYOKVQD-GOSISDBHSA-N 0 0 309.365 3.331 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000106650936 631435113 /nfs/dbraw/zinc/43/51/13/631435113.db2.gz WOZQGGSXUXFRKH-OALUTQOASA-N 0 0 305.377 3.443 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000107190630 631559682 /nfs/dbraw/zinc/55/96/82/631559682.db2.gz HWKXGUIMBGKYGY-DLBZAZTESA-N 0 0 322.360 3.416 10 30 DGEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)c(C)n1-c1ccccc1C ZINC000108828564 631946345 /nfs/dbraw/zinc/94/63/45/631946345.db2.gz XVJVLANPECLMCQ-KRWDZBQOSA-N 0 0 307.397 3.435 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)C1CC1 ZINC000108833698 631947331 /nfs/dbraw/zinc/94/73/31/631947331.db2.gz HACHJDTXUFAFCR-ZDUSSCGKSA-N 0 0 304.440 3.197 10 30 DGEERN N#CCOc1ccc(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000110446714 632568410 /nfs/dbraw/zinc/56/84/10/632568410.db2.gz MOOWYGMEUNDHTO-IEBWSBKVSA-N 0 0 320.392 3.051 10 30 DGEERN C=CCc1ccc(OCC(=O)OCC(C)(C)CC#N)c(OC)c1 ZINC000184779937 660186740 /nfs/dbraw/zinc/18/67/40/660186740.db2.gz IVNZZMIAKRCDIP-UHFFFAOYSA-N 0 0 317.385 3.286 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185153888 660204312 /nfs/dbraw/zinc/20/43/12/660204312.db2.gz YTJMJNYYVFHHDD-AUWXEVLLSA-N 0 0 301.346 3.006 10 30 DGEERN C#Cc1cccc(N=C2NN=C(c3ccc(C#N)cc3)CS2)c1 ZINC000185553322 660229266 /nfs/dbraw/zinc/22/92/66/660229266.db2.gz NMLMIVNAENCSBE-UHFFFAOYSA-N 0 0 316.389 3.459 10 30 DGEERN CC(C)(C#N)COC(=O)c1ccccc1COC1CCOCC1 ZINC000180163813 659953588 /nfs/dbraw/zinc/95/35/88/659953588.db2.gz RLVNALXKTVYSKV-UHFFFAOYSA-N 0 0 317.385 3.089 10 30 DGEERN CCCCCCCC(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000186789327 660574926 /nfs/dbraw/zinc/57/49/26/660574926.db2.gz BMCUBPPOELHYJU-HXUWFJFHSA-N 0 0 301.496 3.497 10 30 DGEERN N#CC[C@H]1CCCN(C(=O)/C=C/c2ccc(Br)o2)C1 ZINC000706014430 660842566 /nfs/dbraw/zinc/84/25/66/660842566.db2.gz BRWDNQFGFHULPB-DUMNWFOQSA-N 0 0 323.190 3.208 10 30 DGEERN Cc1nc(N2CC[C@@H](c3nccs3)C2)c(Cl)cc1C#N ZINC000710494975 660932697 /nfs/dbraw/zinc/93/26/97/660932697.db2.gz WATMRAICWSNNAC-SNVBAGLBSA-N 0 0 304.806 3.366 10 30 DGEERN C#Cc1cccc(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000711407633 660950921 /nfs/dbraw/zinc/95/09/21/660950921.db2.gz YDJXHEOYXLTTRR-FZNQNYSPSA-N 0 0 300.402 3.383 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@H]1CCC2(CCC2)O1 ZINC000711505137 660955505 /nfs/dbraw/zinc/95/55/05/660955505.db2.gz ZWCYYNAVKGGLPC-GFCCVEGCSA-N 0 0 322.206 3.229 10 30 DGEERN C#CCN(CC(=O)Nc1ccccc1F)[C@H]1CCc2ccccc21 ZINC000097336968 655530678 /nfs/dbraw/zinc/53/06/78/655530678.db2.gz MZDKPYQMEZZAQP-IBGZPJMESA-N 0 0 322.383 3.387 10 30 DGEERN Cc1oc2ncnc(NC(=O)/C=C\c3ccccc3C#N)c2c1C ZINC000254941786 655547218 /nfs/dbraw/zinc/54/72/18/655547218.db2.gz BPYGYURGUJSKOJ-FPLPWBNLSA-N 0 0 318.336 3.363 10 30 DGEERN C=C[C@@H](C)OC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000187564719 655551741 /nfs/dbraw/zinc/55/17/41/655551741.db2.gz DWLNZJXDVHMZLR-GFCCVEGCSA-N 0 0 316.357 3.186 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000187588275 655552332 /nfs/dbraw/zinc/55/23/32/655552332.db2.gz VBNAVKCQFBKBBO-YVEFUNNKSA-N 0 0 302.374 3.396 10 30 DGEERN C#CC[C@@H](OC(=O)/C=C\c1ccnc(Cl)c1)c1ccccn1 ZINC000255005277 655557502 /nfs/dbraw/zinc/55/75/02/655557502.db2.gz AZEFXAWQPKUUPE-ZPIQOJFGSA-N 0 0 312.756 3.451 10 30 DGEERN C[C@H](ON=Cc1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC000255019858 655563336 /nfs/dbraw/zinc/56/33/36/655563336.db2.gz HBFKIOOYRKVRNY-VIFPVBQESA-N 0 0 305.246 3.208 10 30 DGEERN Cc1csc(C(C#N)=C([O-])C=Cc2ccnc(Cl)c2)n1 ZINC000255044854 655571967 /nfs/dbraw/zinc/57/19/67/655571967.db2.gz JOYXHPUWDBXATE-QUCGXOGASA-N 0 0 303.774 3.390 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1ccccc1NC(C)=O ZINC000160485592 655644181 /nfs/dbraw/zinc/64/41/81/655644181.db2.gz CMDWUBMKVCGRNP-UHFFFAOYSA-N 0 0 312.344 3.408 10 30 DGEERN Cc1nc(CC(=O)OCC#Cc2ccc(Cl)cc2)cs1 ZINC000177898761 655674416 /nfs/dbraw/zinc/67/44/16/655674416.db2.gz HVNQLRDWHXLGCD-UHFFFAOYSA-N 0 0 305.786 3.242 10 30 DGEERN N#C[C@@H](OC(=O)/C=C\c1ccccc1OC(F)(F)F)C1CC1 ZINC000255317228 655698024 /nfs/dbraw/zinc/69/80/24/655698024.db2.gz WKDCAXAKEODGST-MEJMFZKBSA-N 0 0 311.259 3.444 10 30 DGEERN N#C[C@H](COC(=O)CCc1ccoc1)Cc1ccc(F)cc1 ZINC000175958226 655720747 /nfs/dbraw/zinc/72/07/47/655720747.db2.gz DIBMIFBWOVVPIX-OAHLLOKOSA-N 0 0 301.317 3.277 10 30 DGEERN CC[C@H](CC#N)OC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000187974530 655726550 /nfs/dbraw/zinc/72/65/50/655726550.db2.gz KCMZNNYNMCTISY-MRXNPFEDSA-N 0 0 301.386 3.279 10 30 DGEERN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@@H](C#N)C1CC1 ZINC000176076917 655731896 /nfs/dbraw/zinc/73/18/96/655731896.db2.gz ZVFKVCIHNRREJD-RNCFNFMXSA-N 0 0 313.275 3.318 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)C#Cc3ccccc3)c21 ZINC000176222111 655744972 /nfs/dbraw/zinc/74/49/72/655744972.db2.gz ZPSLVWMAPPFNJK-UHFFFAOYSA-N 0 0 302.377 3.187 10 30 DGEERN N#Cc1cccc(NS(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176675383 655780131 /nfs/dbraw/zinc/78/01/31/655780131.db2.gz YRVOUCHHLIAGJC-CMDGGOBGSA-N 0 0 302.330 3.110 10 30 DGEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(CC)cc2)c1 ZINC000048799525 655786475 /nfs/dbraw/zinc/78/64/75/655786475.db2.gz OFLYAVHIESBUOI-AWEZNQCLSA-N 0 0 320.392 3.046 10 30 DGEERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 ZINC000158669159 655788017 /nfs/dbraw/zinc/78/80/17/655788017.db2.gz MDGWFZOZOGPJGW-RCCFBDPRSA-N 0 0 324.424 3.245 10 30 DGEERN O=C(OCC#Cc1ccc(Cl)cc1)[C@H]1CSCCS1 ZINC000176725039 655789113 /nfs/dbraw/zinc/78/91/13/655789113.db2.gz DWVQPIZRPYJEPV-CYBMUJFWSA-N 0 0 312.843 3.083 10 30 DGEERN C#CCCCCC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000155251915 655808631 /nfs/dbraw/zinc/80/86/31/655808631.db2.gz TZGXDVDKQYEZQN-NRFANRHFSA-N 0 0 317.332 3.446 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@H](CC)c1nccs1 ZINC000188084078 655811788 /nfs/dbraw/zinc/81/17/88/655811788.db2.gz PIVFJRXHCHHIGA-GFCCVEGCSA-N 0 0 315.398 3.428 10 30 DGEERN COC(=O)c1ccc(/C=C\C(=O)c2ccc(F)c(OC)c2)o1 ZINC000255571839 655818726 /nfs/dbraw/zinc/81/87/26/655818726.db2.gz ASJOGJNGWZIILA-DAXSKMNVSA-N 0 0 304.273 3.110 10 30 DGEERN C#C[C@H](C)OC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000246257326 655822351 /nfs/dbraw/zinc/82/23/51/655822351.db2.gz ALDKKWONQQQJOH-KKUMJFAQSA-N 0 0 323.433 3.225 10 30 DGEERN C#CCCCOC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000052745673 655838304 /nfs/dbraw/zinc/83/83/04/655838304.db2.gz BDAFGPLMIHRNCE-HNNXBMFYSA-N 0 0 321.804 3.051 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077499673 655845079 /nfs/dbraw/zinc/84/50/79/655845079.db2.gz MYVCAQKLHXJMOT-UHFFFAOYSA-N 0 0 318.739 3.410 10 30 DGEERN C=CCC[C@H](OC(=O)CN1C(=O)CCc2ccccc21)C1CC1 ZINC000159523575 655848104 /nfs/dbraw/zinc/84/81/04/655848104.db2.gz GKTYJODEGOEMKA-KRWDZBQOSA-N 0 0 313.397 3.254 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(C2OCCO2)c1)C(C)(C)C ZINC000159667269 655848750 /nfs/dbraw/zinc/84/87/50/655848750.db2.gz DHVAYIZNDLIJAV-HNNXBMFYSA-N 0 0 302.370 3.327 10 30 DGEERN CCCCc1oc2ccccc2c1C=CC(O)=C(C#N)C(=O)NC ZINC000255589019 655851006 /nfs/dbraw/zinc/85/10/06/655851006.db2.gz JBQZUJSJWHWKJH-JQPIKURYSA-N 0 0 324.380 3.243 10 30 DGEERN C[C@H](C#N)NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000255596374 655853869 /nfs/dbraw/zinc/85/38/69/655853869.db2.gz AZGDWGHUZJZYHE-ZTHSNPKKSA-N 0 0 302.683 3.400 10 30 DGEERN C[C@H](Oc1cccc(Br)c1)C(=O)O[C@@H](C#N)C1CC1 ZINC000177015798 655886914 /nfs/dbraw/zinc/88/69/14/655886914.db2.gz GWIAVUSLHVPOEE-ZANVPECISA-N 0 0 324.174 3.062 10 30 DGEERN Oc1ccccc1/C=N\[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000255829228 655908092 /nfs/dbraw/zinc/90/80/92/655908092.db2.gz AXQZMNPDYLGUFY-NLLJVSSUSA-N 0 0 302.324 3.368 10 30 DGEERN C#CC[C@H](OC(=O)Cc1c(C)nn(CC(C)C)c1C)C(C)C ZINC000177719980 655943282 /nfs/dbraw/zinc/94/32/82/655943282.db2.gz CTIHZNLNBSZNFG-KRWDZBQOSA-N 0 0 304.434 3.290 10 30 DGEERN C#CC[C@H](OC(=O)Cc1nc(-c2ccco2)oc1C)C(C)C ZINC000177741257 655944426 /nfs/dbraw/zinc/94/44/26/655944426.db2.gz XRQOFRDSBHMXSE-AWEZNQCLSA-N 0 0 301.342 3.377 10 30 DGEERN COC(=O)c1cc2ccccc2cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000177822456 655947686 /nfs/dbraw/zinc/94/76/86/655947686.db2.gz RWQIEBFDTAYFHZ-UHFFFAOYSA-N 0 0 319.320 3.078 10 30 DGEERN C#CCCCNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000178321888 656052430 /nfs/dbraw/zinc/05/24/30/656052430.db2.gz AOQNNNWLNYBFDL-GFCCVEGCSA-N 0 0 308.219 3.472 10 30 DGEERN O=C(N[C@H]1CCCC[C@H]1CO)[C@@H]1CSC(c2ccccc2)=N1 ZINC000328668349 656074333 /nfs/dbraw/zinc/07/43/33/656074333.db2.gz GVHPIPIWKAHDIO-KKUMJFAQSA-N 0 0 318.442 3.056 10 30 DGEERN C[C@H]1CCc2c(C(=O)OCC3(C#N)CCOCC3)csc2C1 ZINC000183908961 656115835 /nfs/dbraw/zinc/11/58/35/656115835.db2.gz FQPWKUYJZCASOU-LBPRGKRZSA-N 0 0 319.426 3.350 10 30 DGEERN CC[C@H](C)Oc1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183997857 656116250 /nfs/dbraw/zinc/11/62/50/656116250.db2.gz VGPGQDXJSPXPQH-AWEZNQCLSA-N 0 0 317.385 3.341 10 30 DGEERN N#CC1(COC(=O)C2(Cc3ccccc3)CCC2)CCOCC1 ZINC000183984435 656116256 /nfs/dbraw/zinc/11/62/56/656116256.db2.gz DWXFGEBMXALQEF-UHFFFAOYSA-N 0 0 313.397 3.263 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194279582 656199640 /nfs/dbraw/zinc/19/96/40/656199640.db2.gz APYMBTNUSJHNHZ-SNVBAGLBSA-N 0 0 316.735 3.476 10 30 DGEERN C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000066883707 656301431 /nfs/dbraw/zinc/30/14/31/656301431.db2.gz CUEQOVAWPBXOBX-GFCCVEGCSA-N 0 0 309.321 3.247 10 30 DGEERN C#CCN(C(=O)Cc1ccccc1Br)C1CCCC1 ZINC000163936537 657290709 /nfs/dbraw/zinc/29/07/09/657290709.db2.gz CGHZVHTZHWJEDS-UHFFFAOYSA-N 0 0 320.230 3.396 10 30 DGEERN C#CCOc1ccc(/C=C2/N=C(c3ccsc3)OC2=O)cc1 ZINC000066020842 657392101 /nfs/dbraw/zinc/39/21/01/657392101.db2.gz WQYGKHQJFOWKAK-XNTDXEJSSA-N 0 0 309.346 3.105 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000303711984 657557371 /nfs/dbraw/zinc/55/73/71/657557371.db2.gz CSZIVWXOMWFJGJ-INIZCTEOSA-N 0 0 314.429 3.027 10 30 DGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC(C1CC1)C1CC1 ZINC000097088440 657596645 /nfs/dbraw/zinc/59/66/45/657596645.db2.gz VOQFREPFULCHJW-UHFFFAOYSA-N 0 0 309.369 3.169 10 30 DGEERN Cc1c(/C=C\C(=O)c2cccc(Br)c2)cnn1C ZINC000097414766 657637982 /nfs/dbraw/zinc/63/79/82/657637982.db2.gz OFXHERPZOAIQSA-SREVYHEPSA-N 0 0 305.175 3.387 10 30 DGEERN C#CC[C@H](OC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000192671696 657767120 /nfs/dbraw/zinc/76/71/20/657767120.db2.gz ACKPYFSKSGOBIR-KGLIPLIRSA-N 0 0 311.422 3.271 10 30 DGEERN COc1cccc2c1OC/C(=C/c1ccc3c(c1)CCO3)C2=O ZINC000098125459 657912571 /nfs/dbraw/zinc/91/25/71/657912571.db2.gz ACWJQWSYLBYQHT-UVTDQMKNSA-N 0 0 308.333 3.289 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000088818294 658640526 /nfs/dbraw/zinc/64/05/26/658640526.db2.gz WWNMDDZNIIMAKQ-MRXNPFEDSA-N 0 0 306.308 3.273 10 30 DGEERN C[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C#N)cc1 ZINC000192834853 658750156 /nfs/dbraw/zinc/75/01/56/658750156.db2.gz HQRJVPNRTSMULR-AWEZNQCLSA-N 0 0 321.380 3.430 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000156766576 658942805 /nfs/dbraw/zinc/94/28/05/658942805.db2.gz VHDZEWXJHITIKC-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN C#CCOc1ccc([C@H](C)NCc2nccn2CC(C)C)cc1 ZINC000164786766 658946029 /nfs/dbraw/zinc/94/60/29/658946029.db2.gz AULHZQIXYGTBHR-INIZCTEOSA-N 0 0 311.429 3.402 10 30 DGEERN C[C@H](C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1)C1CCOCC1 ZINC000165914640 659010887 /nfs/dbraw/zinc/01/08/87/659010887.db2.gz GVZWMOXOMVZUBQ-DZGCQCFKSA-N 0 0 319.376 3.114 10 30 DGEERN C#CCOCCC(=O)O[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000166821487 659058937 /nfs/dbraw/zinc/05/89/37/659058937.db2.gz UFMOEBJFZYORHB-JTQLQIEISA-N 0 0 316.275 3.071 10 30 DGEERN C[C@H](CCNc1ccc(C#N)cc1F)NC(=O)OC(C)(C)C ZINC000170640186 659222682 /nfs/dbraw/zinc/22/26/82/659222682.db2.gz VKZZHFXVYNCVOS-LLVKDONJSA-N 0 0 307.369 3.413 10 30 DGEERN C[C@@H](OC(=O)c1ccccc1OCC#N)c1nc2ccccc2[nH]1 ZINC000171335274 659274226 /nfs/dbraw/zinc/27/42/26/659274226.db2.gz MAMSXCGEHDEVFC-GFCCVEGCSA-N 0 0 321.336 3.383 10 30 DGEERN CSCCC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000171481418 659283204 /nfs/dbraw/zinc/28/32/04/659283204.db2.gz PMTIUQWRBFRVMA-AWEZNQCLSA-N 0 0 312.394 3.240 10 30 DGEERN C#CCCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000172946724 659367016 /nfs/dbraw/zinc/36/70/16/659367016.db2.gz IUGHJHCYZVFDKY-UHFFFAOYSA-N 0 0 308.219 3.256 10 30 DGEERN C=C(Cl)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000173690559 659397152 /nfs/dbraw/zinc/39/71/52/659397152.db2.gz TVZPPELSYQEWCN-UHFFFAOYSA-N 0 0 317.820 3.212 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)NCCc1ccsc1 ZINC000173801115 659401807 /nfs/dbraw/zinc/40/18/07/659401807.db2.gz WLHOTAVETVQZIN-UHFFFAOYSA-N 0 0 318.373 3.263 10 30 DGEERN C=C(Br)CNC(=O)c1ccc(F)c(CSC)c1 ZINC000174136950 659415785 /nfs/dbraw/zinc/41/57/85/659415785.db2.gz VBPVUGAMCSLXOG-UHFFFAOYSA-N 0 0 318.211 3.327 10 30 DGEERN C#C[C@H](C)OC(=O)COc1ccccc1OCc1ccccc1 ZINC000174425463 659433105 /nfs/dbraw/zinc/43/31/05/659433105.db2.gz BHRUZTIXSKOHOR-HNNXBMFYSA-N 0 0 310.349 3.209 10 30 DGEERN C#C[C@@H](C)OC(=O)CCCOc1ccccc1Br ZINC000174470581 659435720 /nfs/dbraw/zinc/43/57/20/659435720.db2.gz DCLHLBZQUXEDLT-LLVKDONJSA-N 0 0 311.175 3.173 10 30 DGEERN C=CCc1cc(C(=O)NCC2(C)CCC2)cc(OC)c1OC ZINC000175108425 659916106 /nfs/dbraw/zinc/91/61/06/659916106.db2.gz KFPRERSUFFIBJC-UHFFFAOYSA-N 0 0 303.402 3.352 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Oc2ccc(C#N)cc2)s1 ZINC000175221125 659917629 /nfs/dbraw/zinc/91/76/29/659917629.db2.gz UPJCSVGLFKQOCM-JTQLQIEISA-N 0 0 302.355 3.250 10 30 DGEERN N#CCOc1ccc(CNC(=O)c2cccc3ncccc32)cc1 ZINC000067928692 659932067 /nfs/dbraw/zinc/93/20/67/659932067.db2.gz ZJOFUPCEURLGLC-UHFFFAOYSA-N 0 0 317.348 3.067 10 30 DGEERN CC(C)(C#N)COC(=O)c1cccnc1SC(F)(F)F ZINC000180088325 659952347 /nfs/dbraw/zinc/95/23/47/659952347.db2.gz WBNRHCQONILBQI-UHFFFAOYSA-N 0 0 304.293 3.400 10 30 DGEERN CC(C)(C#N)COC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000180173469 659954262 /nfs/dbraw/zinc/95/42/62/659954262.db2.gz PIYMVSQXYSBDAT-UHFFFAOYSA-N 0 0 311.341 3.321 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)c1ccccn1 ZINC000068596461 659958685 /nfs/dbraw/zinc/95/86/85/659958685.db2.gz JSASRJVSYVNATN-LJQANCHMSA-N 0 0 305.377 3.421 10 30 DGEERN C#CCCCCC(=O)OCc1ccccc1OC[C@H]1CCCO1 ZINC000180768131 659970115 /nfs/dbraw/zinc/97/01/15/659970115.db2.gz PWMHZCNRNULPSH-QGZVFWFLSA-N 0 0 316.397 3.481 10 30 DGEERN C=C[C@H](CC)OC(=O)CCc1ccc(OC)c(OC)c1OC ZINC000181225113 659987820 /nfs/dbraw/zinc/98/78/20/659987820.db2.gz DMHFXBXNBRMCAF-CYBMUJFWSA-N 0 0 308.374 3.153 10 30 DGEERN C=C[C@H](CC)OC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000181237668 659988856 /nfs/dbraw/zinc/98/88/56/659988856.db2.gz SSZGVWOBZIUMKP-BXUZGUMPSA-N 0 0 311.328 3.040 10 30 DGEERN CC(C)(C#N)OC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000181825256 660022256 /nfs/dbraw/zinc/02/22/56/660022256.db2.gz RVQHDDXUHOLBJV-UHFFFAOYSA-N 0 0 321.226 3.348 10 30 DGEERN C=C(COc1ccc(Br)cc1F)C(=O)OCC ZINC000070380661 660053864 /nfs/dbraw/zinc/05/38/64/660053864.db2.gz IVBWSSKMZYGKOV-UHFFFAOYSA-N 0 0 303.127 3.086 10 30 DGEERN C=C(CSc1ccc(Br)cn1)C(=O)OCC ZINC000070614546 660070153 /nfs/dbraw/zinc/07/01/53/660070153.db2.gz NMPLDHODOZLQQI-UHFFFAOYSA-N 0 0 302.193 3.056 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000182978959 660095697 /nfs/dbraw/zinc/09/56/97/660095697.db2.gz VAZAANWLGOOOLE-CZUORRHYSA-N 0 0 304.434 3.281 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OCCC(C)(C)OC ZINC000189284878 660129016 /nfs/dbraw/zinc/12/90/16/660129016.db2.gz XPJIWBXEWYZTMJ-UHFFFAOYSA-N 0 0 308.374 3.232 10 30 DGEERN N#CC1(COC(=O)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000183962753 660150119 /nfs/dbraw/zinc/15/01/19/660150119.db2.gz ZEQXMJIRFYMLEN-UHFFFAOYSA-N 0 0 313.275 3.183 10 30 DGEERN CSc1ccc(C)c(C(=O)OCC2(C#N)CCOCC2)c1 ZINC000183980161 660151052 /nfs/dbraw/zinc/15/10/52/660151052.db2.gz BWBHCBYZTXZEHY-UHFFFAOYSA-N 0 0 305.399 3.194 10 30 DGEERN Cc1ccccc1[C@@H](C)CC(=O)OCC1(C#N)CCOCC1 ZINC000183982253 660151288 /nfs/dbraw/zinc/15/12/88/660151288.db2.gz KGGYFUPPNCVELK-HNNXBMFYSA-N 0 0 301.386 3.352 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)c1coc(Br)c1 ZINC000074378082 661319554 /nfs/dbraw/zinc/31/95/54/661319554.db2.gz QXHMYNATHPVRIK-UHFFFAOYSA-N 0 0 322.114 3.142 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc2c(s1)CCOC2 ZINC000187534190 661831860 /nfs/dbraw/zinc/83/18/60/661831860.db2.gz ZPBFYBNMFVCOIK-MRXNPFEDSA-N 0 0 310.415 3.206 10 30 DGEERN C=C[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000187534661 661832134 /nfs/dbraw/zinc/83/21/34/661832134.db2.gz YYVPTSLFJUIXAY-SNVBAGLBSA-N 0 0 311.359 3.065 10 30 DGEERN C#C[C@@H](C)OC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155246584 661844111 /nfs/dbraw/zinc/84/41/11/661844111.db2.gz FJMSHJAFMDULPO-ZIAGYGMSSA-N 0 0 323.433 3.225 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000043981989 661852295 /nfs/dbraw/zinc/85/22/95/661852295.db2.gz UZVUULMAZRKARV-ZDUSSCGKSA-N 0 0 322.364 3.322 10 30 DGEERN C#CCCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000156097253 661858336 /nfs/dbraw/zinc/85/83/36/661858336.db2.gz QRHONEVTVLVRJJ-UHFFFAOYSA-N 0 0 320.392 3.472 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1cnc2nc(C)cc(C)n12 ZINC000157146073 661866313 /nfs/dbraw/zinc/86/63/13/661866313.db2.gz HSPDSQLLAMKRPY-UHFFFAOYSA-N 0 0 324.359 3.109 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCCC(F)(F)F ZINC000157344460 661867040 /nfs/dbraw/zinc/86/70/40/661867040.db2.gz VZJXEOGUNYNJGM-SNVBAGLBSA-N 0 0 301.264 3.211 10 30 DGEERN CCCCCCCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000158854459 661879112 /nfs/dbraw/zinc/87/91/12/661879112.db2.gz YBWFRSMKJNSCGW-HOTGVXAUSA-N 0 0 323.433 3.291 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)C1CC1 ZINC000159471373 661888732 /nfs/dbraw/zinc/88/87/32/661888732.db2.gz NOTSIFHLQFIRSV-INIZCTEOSA-N 0 0 322.426 3.133 10 30 DGEERN C=CCC[C@@H](OC(=O)Cn1ccc(=O)c2ccccc21)C1CC1 ZINC000159473776 661888932 /nfs/dbraw/zinc/88/89/32/661888932.db2.gz KBWLLXVEIHLQTM-GOSISDBHSA-N 0 0 311.381 3.290 10 30 DGEERN C=CCC[C@@H](OC(=O)c1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000159558680 661890395 /nfs/dbraw/zinc/89/03/95/661890395.db2.gz CLMIUTYAXVVNAY-MRXNPFEDSA-N 0 0 301.386 3.290 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cccc(CS(C)(=O)=O)c1)C1CC1 ZINC000159693112 661893587 /nfs/dbraw/zinc/89/35/87/661893587.db2.gz WDITZTDPHRTDTG-MRXNPFEDSA-N 0 0 322.426 3.133 10 30 DGEERN C=C[C@@H](C)OC(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000187564466 661898662 /nfs/dbraw/zinc/89/86/62/661898662.db2.gz LGTJZRGKGOBJJE-GFCCVEGCSA-N 0 0 306.358 3.175 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000187949456 661909172 /nfs/dbraw/zinc/90/91/72/661909172.db2.gz UTTRVSSMVUWKLE-CQSZACIVSA-N 0 0 311.341 3.463 10 30 DGEERN CC[C@@H](CC#N)OC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000187986844 661910806 /nfs/dbraw/zinc/91/08/06/661910806.db2.gz CGJYWVHFQSILAL-HNNXBMFYSA-N 0 0 305.349 3.109 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000188045284 661912237 /nfs/dbraw/zinc/91/22/37/661912237.db2.gz WLKSZPWAOKXQAT-CQSZACIVSA-N 0 0 313.357 3.295 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000188035054 661912529 /nfs/dbraw/zinc/91/25/29/661912529.db2.gz CIFWYLPHPBUDNW-LLVKDONJSA-N 0 0 316.235 3.463 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1ccc(C(=O)OC(C)C)cc1 ZINC000188197399 661920243 /nfs/dbraw/zinc/92/02/43/661920243.db2.gz MQJZTVCNHTWJDK-GOSISDBHSA-N 0 0 320.385 3.386 10 30 DGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000075398624 661928743 /nfs/dbraw/zinc/92/87/43/661928743.db2.gz XLXHEPIUMBBJDY-CABCVRRESA-N 0 0 306.192 3.192 10 30 DGEERN COCc1cccc(CC(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000188978913 661957114 /nfs/dbraw/zinc/95/71/14/661957114.db2.gz SOUZIKMGZNRNAY-IBGZPJMESA-N 0 0 323.392 3.301 10 30 DGEERN CC(=O)CCc1ccc(OCC(=O)OCC(C)(C)CC#N)cc1 ZINC000189137308 661965658 /nfs/dbraw/zinc/96/56/58/661965658.db2.gz OZQRDGXSAMVYOB-UHFFFAOYSA-N 0 0 317.385 3.070 10 30 DGEERN C=CC[C@]1(C(=O)N(CC)CC)CCCN1C(=O)OC(C)(C)C ZINC000190281214 662026131 /nfs/dbraw/zinc/02/61/31/662026131.db2.gz GICFTYONIPCZTF-QGZVFWFLSA-N 0 0 310.438 3.201 10 30 DGEERN N#C[C@@H](OC(=O)Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000190781056 662044090 /nfs/dbraw/zinc/04/40/90/662044090.db2.gz VSSVSOWXCDCHEY-CYBMUJFWSA-N 0 0 313.275 3.016 10 30 DGEERN C=CCOc1ccc(COC(=O)c2cn3ccnc3s2)cc1 ZINC000190852379 662047050 /nfs/dbraw/zinc/04/70/50/662047050.db2.gz XTRXYJYDKDXBJE-UHFFFAOYSA-N 0 0 314.366 3.318 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(NC(C)=O)ccc1F ZINC000191109255 662054334 /nfs/dbraw/zinc/05/43/34/662054334.db2.gz OBBACZBYBPPIJG-KRWDZBQOSA-N 0 0 323.364 3.170 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccn(-c2ccccc2)n1 ZINC000191137525 662055418 /nfs/dbraw/zinc/05/54/18/662055418.db2.gz RQWPQCBWTRTCKU-GOSISDBHSA-N 0 0 314.385 3.258 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)OCc2ccc(C#N)cc2)s1 ZINC000078433230 662067607 /nfs/dbraw/zinc/06/76/07/662067607.db2.gz DZPGYZVDGVBEHV-NSHDSACASA-N 0 0 316.382 3.388 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC1(C)OCCO1 ZINC000191517616 662070315 /nfs/dbraw/zinc/07/03/15/662070315.db2.gz DYEPPZZVIGFCBT-UHFFFAOYSA-N 0 0 318.417 3.423 10 30 DGEERN C=CCCC(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000191750495 662080176 /nfs/dbraw/zinc/08/01/76/662080176.db2.gz XCFNEZCLABLAKS-CYBMUJFWSA-N 0 0 322.336 3.212 10 30 DGEERN C=CCC1(C(=O)OCc2nnc(-c3ccccc3)n2C)CCC1 ZINC000192115595 662088182 /nfs/dbraw/zinc/08/81/82/662088182.db2.gz MRXUZHUQWBYHBQ-UHFFFAOYSA-N 0 0 311.385 3.272 10 30 DGEERN C=CCC1(C(=O)OCCc2c[nH]nc2C(F)(F)F)CCC1 ZINC000192204222 662091633 /nfs/dbraw/zinc/09/16/33/662091633.db2.gz MJPNHMYEWZKFDR-UHFFFAOYSA-N 0 0 302.296 3.261 10 30 DGEERN C#CC[C@H](OC(=O)Cc1c(CC)nn(C)c1CC)C(C)(C)C ZINC000192292459 662094164 /nfs/dbraw/zinc/09/41/64/662094164.db2.gz DTKPUQASBPUKKX-INIZCTEOSA-N 0 0 304.434 3.069 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000192431327 662098225 /nfs/dbraw/zinc/09/82/25/662098225.db2.gz ACTJCZYXFAEIII-HNNXBMFYSA-N 0 0 319.376 3.447 10 30 DGEERN COC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000192654621 662107382 /nfs/dbraw/zinc/10/73/82/662107382.db2.gz DBHLYWZFXNNOSZ-UHFFFAOYSA-N 0 0 310.309 3.094 10 30 DGEERN CC(C)(C)OC(=O)CCC(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000192820367 662112022 /nfs/dbraw/zinc/11/20/22/662112022.db2.gz FSMFVFJBRPMFQL-GFCCVEGCSA-N 0 0 323.414 3.095 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1c(F)cccc1F ZINC000192945410 662116926 /nfs/dbraw/zinc/11/69/26/662116926.db2.gz GSNDODVOYCPINT-JTQLQIEISA-N 0 0 303.264 3.209 10 30 DGEERN Cn1c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2sc1=O ZINC000193122022 662123245 /nfs/dbraw/zinc/12/32/45/662123245.db2.gz MWEHJVYBAMRCBP-UHFFFAOYSA-N 0 0 321.357 3.063 10 30 DGEERN Cc1cncc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)c1 ZINC000193146835 662124232 /nfs/dbraw/zinc/12/42/32/662124232.db2.gz KFPYZTQXQUCKAB-GQCTYLIASA-N 0 0 310.378 3.200 10 30 DGEERN N#CC(C(=O)NC1CCCC1)=C(O)C=Cc1ccccc1Cl ZINC000193760291 662147462 /nfs/dbraw/zinc/14/74/62/662147462.db2.gz OVHCJYZOXNMRJJ-HBWSCVEGSA-N 0 0 316.788 3.121 10 30 DGEERN N#CCOc1ccccc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194076058 662156677 /nfs/dbraw/zinc/15/66/77/662156677.db2.gz YGNQYYQLPYGMKH-LLVKDONJSA-N 0 0 312.291 3.003 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(SC(F)F)c1 ZINC000081084721 662159964 /nfs/dbraw/zinc/15/99/64/662159964.db2.gz HJUGUKFSUOCNGU-UHFFFAOYSA-N 0 0 307.325 3.464 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCOC[C@@H]2C)c1 ZINC000194284705 662162446 /nfs/dbraw/zinc/16/24/46/662162446.db2.gz SZSNWMPVWMJBKP-HNAYVOBHSA-N 0 0 323.392 3.467 10 30 DGEERN C=CCOc1ccc(OC(=O)c2ccc(N3CCCC3)nc2)cc1 ZINC000081323681 662164790 /nfs/dbraw/zinc/16/47/90/662164790.db2.gz GTJSEKQNYNYFBK-UHFFFAOYSA-N 0 0 324.380 3.466 10 30 DGEERN CCCOCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000194535949 662168148 /nfs/dbraw/zinc/16/81/48/662168148.db2.gz AHWLWXLCYVUXSL-SNVBAGLBSA-N 0 0 307.300 3.034 10 30 DGEERN CCO[C@H]1C[C@H](OC(=O)c2cc(C#N)cn2C)C1(CC)CC ZINC000083780678 662196585 /nfs/dbraw/zinc/19/65/85/662196585.db2.gz OVHVKYXVOBBKJK-GJZGRUSLSA-N 0 0 304.390 3.037 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1ccc(F)c(F)c1)c1ccccn1 ZINC000088809746 662235603 /nfs/dbraw/zinc/23/56/03/662235603.db2.gz OEFLSVDVESQMKK-MRXNPFEDSA-N 0 0 301.292 3.210 10 30 DGEERN C[C@@H](C(=O)OC[C@H](C#N)Cc1cccs1)C1CCOCC1 ZINC000089293168 662240967 /nfs/dbraw/zinc/24/09/67/662240967.db2.gz KTETZRLTEQFDBM-OLZOCXBDSA-N 0 0 307.415 3.036 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000089293130 662241023 /nfs/dbraw/zinc/24/10/23/662241023.db2.gz LQDSDYWSPSYFMT-CQSZACIVSA-N 0 0 310.378 3.467 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1cnn2cc(Br)cnc12 ZINC000089311476 662241540 /nfs/dbraw/zinc/24/15/40/662241540.db2.gz VOCIVGPENQVIGZ-SECBINFHSA-N 0 0 324.178 3.003 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000089312419 662241792 /nfs/dbraw/zinc/24/17/92/662241792.db2.gz DRJUKCLDLZBUNL-AWEZNQCLSA-N 0 0 301.386 3.321 10 30 DGEERN C=CCC[C@H](C)OC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089320432 662241808 /nfs/dbraw/zinc/24/18/08/662241808.db2.gz NLIAKEUGFKZHNE-AWEZNQCLSA-N 0 0 317.385 3.090 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000089319022 662241925 /nfs/dbraw/zinc/24/19/25/662241925.db2.gz NVEMMCKBTXVOGL-JSGCOSHPSA-N 0 0 309.431 3.400 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)c1scnc1C1CC1 ZINC000089815714 662248539 /nfs/dbraw/zinc/24/85/39/662248539.db2.gz DGMCWBBELCXAEP-UHFFFAOYSA-N 0 0 316.357 3.424 10 30 DGEERN COc1ccc(COCCCC(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000089986550 662251641 /nfs/dbraw/zinc/25/16/41/662251641.db2.gz QFQWPGXQXALAFU-AWEZNQCLSA-N 0 0 319.401 3.473 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc(C)cs2)c1 ZINC000246367216 662255383 /nfs/dbraw/zinc/25/53/83/662255383.db2.gz QOYAZQMNMAGZQG-RRFJBIMHSA-N 0 0 312.394 3.440 10 30 DGEERN C=CC[N@H+](CC(=O)[O-])Cc1ccc(C)c(Br)c1C ZINC000719567231 662292663 /nfs/dbraw/zinc/29/26/63/662292663.db2.gz WSBLZDRYDHLQGG-UHFFFAOYSA-N 0 0 312.207 3.139 10 30 DGEERN C#C[C@H](C)OC(=O)c1cccc(C(=O)N(CCC)CCC)c1 ZINC000174432137 685105989 /nfs/dbraw/zinc/10/59/89/685105989.db2.gz NWEFLZDAUHQJLA-AWEZNQCLSA-N 0 0 301.386 3.127 10 30 DGEERN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)C(C)=CC(C)(C)C ZINC000588507677 1176510401 /nfs/dbraw/zinc/51/04/01/1176510401.db2.gz YTKXNOKKMCDVAA-UKVQZPPCSA-N 0 0 314.385 3.335 10 30 DGEERN N#Cc1ccc(Br)cc1NCC1CCC(O)CC1 ZINC000227711196 1176520247 /nfs/dbraw/zinc/52/02/47/1176520247.db2.gz OASSBNOGJORWEL-UHFFFAOYSA-N 0 0 309.207 3.284 10 30 DGEERN C=CCONC(=O)c1ccc2cc(Br)ccc2c1 ZINC000395629559 1176789961 /nfs/dbraw/zinc/78/99/61/1176789961.db2.gz FOKXBSNKUONKIZ-UHFFFAOYSA-N 0 0 306.159 3.450 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000354817379 1178063568 /nfs/dbraw/zinc/06/35/68/1178063568.db2.gz DRSLSYUXEOHVFI-QGZVFWFLSA-N 0 0 305.805 3.283 10 30 DGEERN C=CC[C@@H](C)Nc1ccc(Br)c(C(=O)OCC)n1 ZINC000603291622 1181505202 /nfs/dbraw/zinc/50/52/02/1181505202.db2.gz GOLHNAAMXLIIPV-SECBINFHSA-N 0 0 313.195 3.397 10 30 DGEERN C#Cc1cccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)c1 ZINC000078525450 1196739663 /nfs/dbraw/zinc/73/96/63/1196739663.db2.gz ARSRFEPMBXWJRG-UHFFFAOYSA-N 0 0 305.333 3.091 10 30 DGEERN C[C@H](Cc1ccsc1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000081598040 1197238002 /nfs/dbraw/zinc/23/80/02/1197238002.db2.gz CCLXMTLILZGYDJ-CYBMUJFWSA-N 0 0 313.426 3.121 10 30 DGEERN C#Cc1cccc(NC(=O)c2ccc(Br)cc2N)c1 ZINC000094042275 1198750414 /nfs/dbraw/zinc/75/04/14/1198750414.db2.gz XODBONIWPMAYPD-UHFFFAOYSA-N 0 0 315.170 3.265 10 30 DGEERN N#Cc1cccc2c1CN(C(=O)c1coc(Br)c1)C2 ZINC000405086881 1199594171 /nfs/dbraw/zinc/59/41/71/1199594171.db2.gz KEYUZBMRIQZXCU-UHFFFAOYSA-N 0 0 317.142 3.070 10 30 DGEERN CC[C@H](C)N(CCO)c1ccc(C#N)c(Br)c1F ZINC000310708700 1199724827 /nfs/dbraw/zinc/72/48/27/1199724827.db2.gz SZWDVIVGWLAHCO-VIFPVBQESA-N 0 0 315.186 3.057 10 30 DGEERN C=C(CC)CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000313477577 1199767312 /nfs/dbraw/zinc/76/73/12/1199767312.db2.gz CDCLYWXWVXRNIT-UHFFFAOYSA-N 0 0 324.265 3.064 10 30 DGEERN CCN(C[C@H]1CCCO1)c1cc(Br)ccc1C#N ZINC000123145885 1200275944 /nfs/dbraw/zinc/27/59/44/1200275944.db2.gz WFCDCHXDTXSION-CYBMUJFWSA-N 0 0 309.207 3.326 10 30 DGEERN CN(Cc1cscn1)c1cc(Br)ccc1C#N ZINC000123206239 1200276008 /nfs/dbraw/zinc/27/60/08/1200276008.db2.gz QLNSXOKTDBOESK-UHFFFAOYSA-N 0 0 308.204 3.414 10 30 DGEERN C=CCSCCNC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC000194491018 1201385278 /nfs/dbraw/zinc/38/52/78/1201385278.db2.gz IRSZQYHSAPYUTN-UHFFFAOYSA-N 0 0 324.471 3.054 10 30 DGEERN CCCCCCCCc1nnc(NC(=O)C2CC(=O)C2)s1 ZINC000154880772 1202598185 /nfs/dbraw/zinc/59/81/85/1202598185.db2.gz TWLBRDCDTVLOOX-UHFFFAOYSA-N 0 0 309.435 3.359 10 30 DGEERN CCN(C[C@H](C)C#N)c1ccc(C#N)c(Br)c1F ZINC000231842946 1202600184 /nfs/dbraw/zinc/60/01/84/1202600184.db2.gz IXLTUXKAWLFUCH-SECBINFHSA-N 0 0 310.170 3.446 10 30 DGEERN N#Cc1ccc(NC[C@@H]2CCCOC2)c(F)c1Br ZINC000231845558 1202600311 /nfs/dbraw/zinc/60/03/11/1202600311.db2.gz ILDJTKAFSILVDJ-VIFPVBQESA-N 0 0 313.170 3.298 10 30 DGEERN CCC[C@@H](O)CNc1ccc(C#N)c(Br)c1F ZINC000231863980 1202600337 /nfs/dbraw/zinc/60/03/37/1202600337.db2.gz FZHZBINWTPXRIZ-SECBINFHSA-N 0 0 301.159 3.033 10 30 DGEERN CC(C)(C)OC(=O)CNc1cc(Br)ccc1C#N ZINC000232589100 1202601619 /nfs/dbraw/zinc/60/16/19/1202601619.db2.gz GMIISHYSICNPEQ-UHFFFAOYSA-N 0 0 311.179 3.074 10 30 DGEERN C[C@@H](Nc1cc(Br)ccc1C#N)c1cnn(C)c1 ZINC000235219949 1202604242 /nfs/dbraw/zinc/60/42/42/1202604242.db2.gz GPEGQWIRKDNFKM-SECBINFHSA-N 0 0 305.179 3.227 10 30 DGEERN N#Cc1ccc(Br)cc1NCCOC(F)(F)F ZINC000236113804 1202605141 /nfs/dbraw/zinc/60/51/41/1202605141.db2.gz ISFKQXWDIPHOFJ-UHFFFAOYSA-N 0 0 309.085 3.269 10 30 DGEERN C#Cc1cccc(N(C)Cc2nc(Cc3ccc(F)cc3)no2)c1 ZINC000160509976 1202629149 /nfs/dbraw/zinc/62/91/49/1202629149.db2.gz BJBNWCGBBWUFGK-UHFFFAOYSA-N 0 0 321.355 3.417 10 30 DGEERN C#CCCOc1ccc(CNCc2nc3ccccc3n2C)cc1 ZINC000237748245 1202694745 /nfs/dbraw/zinc/69/47/45/1202694745.db2.gz JFTRGJFXRURWEF-UHFFFAOYSA-N 0 0 319.408 3.265 10 30 DGEERN CC(=O)CC1(C(=O)Nc2cccc(OCCCC#N)c2)CCC1 ZINC000279172586 1203198014 /nfs/dbraw/zinc/19/80/14/1203198014.db2.gz HGLNISWCYZKXFE-UHFFFAOYSA-N 0 0 314.385 3.457 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000246345556 1203731016 /nfs/dbraw/zinc/73/10/16/1203731016.db2.gz HFPZGSXZKFKWGF-BHTHQVBYSA-N 0 0 312.369 3.130 10 30 DGEERN C/C=C\c1ccc(OCC(=O)O[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000255552257 1203847368 /nfs/dbraw/zinc/84/73/68/1203847368.db2.gz QTHQWLOQIKRHNW-VUBDOFJKSA-N 0 0 315.369 3.343 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1nc(CCC)n(-c2ccccc2F)n1 ZINC000173801086 1203885962 /nfs/dbraw/zinc/88/59/62/1203885962.db2.gz FAPKVSMLNKJTGF-GFCCVEGCSA-N 0 0 316.380 3.053 10 30 DGEERN C#CCSCCN[C@H](c1nccn1C)c1ccccc1Cl ZINC000180645208 1204333275 /nfs/dbraw/zinc/33/32/75/1204333275.db2.gz BBWZAMQIHGTFJJ-HNNXBMFYSA-N 0 0 319.861 3.119 10 30 DGEERN C=C1CCC(CNC(=O)c2cccc(Br)n2)CC1 ZINC000724470495 1081610746 /nfs/dbraw/zinc/61/07/46/1081610746.db2.gz OXNCXLJKRDFCLU-UHFFFAOYSA-N 0 0 309.207 3.320 10 30 DGEERN N#Cc1c[nH]nc1NC(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC000706327116 1081974377 /nfs/dbraw/zinc/97/43/77/1081974377.db2.gz ZIIPQGGHIBCWOA-OWOJBTEDSA-N 0 0 307.140 3.240 10 30 DGEERN N#CC1(COC(=O)/C=C\c2ccc(Cl)s2)CCOCC1 ZINC000588411741 1082174850 /nfs/dbraw/zinc/17/48/50/1082174850.db2.gz MUIZPGMDQMZHBK-RQOWECAXSA-N 0 0 311.790 3.278 10 30 DGEERN O=C1c2cccc(Br)c2OCC/C1=C/c1cocn1 ZINC000588579475 1082733035 /nfs/dbraw/zinc/73/30/35/1082733035.db2.gz PKLXJFUADFTWDJ-TWGQIWQCSA-N 0 0 320.142 3.486 10 30 DGEERN COC(=O)/C=C\c1ccc(OCC#Cc2ccccc2)c(OC)c1 ZINC000588581060 1082748523 /nfs/dbraw/zinc/74/85/23/1082748523.db2.gz FZXXSRSLFHSQOJ-QBFSEMIESA-N 0 0 322.360 3.312 10 30 DGEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(O)cc3)ccc21 ZINC000588590161 1082824386 /nfs/dbraw/zinc/82/43/86/1082824386.db2.gz DBRYZYVEXUYOQE-OQFOIZHKSA-N 0 0 311.362 3.202 10 30 DGEERN C=CCNC(=O)CNCc1c(Cl)ccc(Cl)c1Cl ZINC000393878129 1083103151 /nfs/dbraw/zinc/10/31/51/1083103151.db2.gz IJYLFMJVSFMNBN-UHFFFAOYSA-N 0 0 307.608 3.039 10 30 DGEERN N#Cc1ccc(NCCc2sccc2Br)nc1 ZINC000713044378 1085928974 /nfs/dbraw/zinc/92/89/74/1085928974.db2.gz IUQJHIPMYXKSGK-UHFFFAOYSA-N 0 0 308.204 3.432 10 30 DGEERN CO[C@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)C1 ZINC000714716100 1087317292 /nfs/dbraw/zinc/31/72/92/1087317292.db2.gz XFKJMTNWKYONAN-CZMCAQCFSA-N 0 0 313.170 3.297 10 30 DGEERN COc1cccc(C#CCOC(=O)c2ccc(F)cc2F)c1 ZINC000176600778 1088157140 /nfs/dbraw/zinc/15/71/40/1088157140.db2.gz UBDJIBXYRKEHSV-UHFFFAOYSA-N 0 0 302.276 3.182 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000176603399 1088162522 /nfs/dbraw/zinc/16/25/22/1088162522.db2.gz JDAVSUDMXKSGCN-HNNXBMFYSA-N 0 0 310.349 3.057 10 30 DGEERN C[C@H]1COCC[C@@H]1Nc1ccc(C#N)c(Br)c1F ZINC000306026736 1094050894 /nfs/dbraw/zinc/05/08/94/1094050894.db2.gz ULNDPNJIGQEGSI-WPRPVWTQSA-N 0 0 313.170 3.297 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC=C(Br)C1 ZINC000404486269 1094259612 /nfs/dbraw/zinc/25/96/12/1094259612.db2.gz WXVXVSFWZMIURO-UHFFFAOYSA-N 0 0 305.175 3.250 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000077278776 334925772 /nfs/dbraw/zinc/92/57/72/334925772.db2.gz ICBCPMBREHAINL-UHFFFAOYSA-N 0 0 303.406 3.255 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC000077261158 334925773 /nfs/dbraw/zinc/92/57/73/334925773.db2.gz FHFBEAAPHUBUJS-UHFFFAOYSA-N 0 0 305.378 3.084 10 30 DGEERN COc1ccc(CSc2nnc(CSC)o2)cc1C#N ZINC000162270095 197556442 /nfs/dbraw/zinc/55/64/42/197556442.db2.gz VHKJUQSJBIRNEL-UHFFFAOYSA-N 0 0 307.400 3.105 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1Br ZINC000278489746 214187906 /nfs/dbraw/zinc/18/79/06/214187906.db2.gz LHTXOXUKLIVZJQ-TZMCWYRMSA-N 0 0 324.218 3.047 10 30 DGEERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C#N)ccn1 ZINC000436013524 529426166 /nfs/dbraw/zinc/42/61/66/529426166.db2.gz YPOGNLRSKSOVJB-CQSZACIVSA-N 0 0 324.340 3.069 10 30 DGEERN CCc1c(C)nn(-c2cccc(C(=O)NCC(C)(C)C#N)c2)c1C ZINC000359652528 529492016 /nfs/dbraw/zinc/49/20/16/529492016.db2.gz MZLKXJZZKIKFEJ-UHFFFAOYSA-N 0 0 324.428 3.331 10 30 DGEERN CCc1cc(NC(=O)C(=O)Nc2cccc(C#N)c2C)ccc1C ZINC000190190658 529541144 /nfs/dbraw/zinc/54/11/44/529541144.db2.gz ZNXOHSCQHAHZFH-UHFFFAOYSA-N 0 0 321.380 3.315 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1occc1C ZINC000062887764 432005199 /nfs/dbraw/zinc/00/51/99/432005199.db2.gz ZQAYXSPOMWEAAS-UHFFFAOYSA-N 0 0 300.314 3.325 10 30 DGEERN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000092666863 185332274 /nfs/dbraw/zinc/33/22/74/185332274.db2.gz FGANFKACNNCKCG-KRWDZBQOSA-N 0 0 314.360 3.472 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1oc2ccc(F)cc2c1C ZINC000278188923 214013488 /nfs/dbraw/zinc/01/34/88/214013488.db2.gz DIEQRFSQJKXXFU-CXAGYDPISA-N 0 0 317.360 3.478 10 30 DGEERN C=CCOCCCC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000080022915 334944765 /nfs/dbraw/zinc/94/47/65/334944765.db2.gz IHTSFYSQSURIBN-UHFFFAOYSA-N 0 0 300.402 3.118 10 30 DGEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSC)cc1 ZINC000065869909 432013368 /nfs/dbraw/zinc/01/33/68/432013368.db2.gz BCFUMLBHIXQMGK-UHFFFAOYSA-N 0 0 318.442 3.192 10 30 DGEERN C[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000104107301 432014644 /nfs/dbraw/zinc/01/46/44/432014644.db2.gz OEYFZQUFRGHKLV-VIFPVBQESA-N 0 0 321.229 3.278 10 30 DGEERN N#CC1(NC(=O)c2cc(F)c(Cl)nc2Cl)CCCC1 ZINC000130132178 432016439 /nfs/dbraw/zinc/01/64/39/432016439.db2.gz VXZPNKSOZVIUSX-UHFFFAOYSA-N 0 0 302.136 3.094 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1CCOc1cccc(C#N)c1 ZINC000066851612 432022485 /nfs/dbraw/zinc/02/24/85/432022485.db2.gz VCIBSYBJBKQQIB-JXFKEZNVSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@H](Nc1cnc(C#N)cn1)c1cccc(Br)c1 ZINC000083647118 192377106 /nfs/dbraw/zinc/37/71/06/192377106.db2.gz BZZLOHBZCPXQIO-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000279960536 215271074 /nfs/dbraw/zinc/27/10/74/215271074.db2.gz HCRJEJGQUCNHIN-GFCCVEGCSA-N 0 0 304.390 3.114 10 30 DGEERN N#CCc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067046526 432025726 /nfs/dbraw/zinc/02/57/26/432025726.db2.gz PGIHZTRGGNJPMN-HNNXBMFYSA-N 0 0 311.410 3.229 10 30 DGEERN CC(C)(C)C1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000172033516 198029687 /nfs/dbraw/zinc/02/96/87/198029687.db2.gz USNIBGWBFSZPJX-UHFFFAOYSA-N 0 0 305.447 3.316 10 30 DGEERN CCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCC ZINC000072399519 191150714 /nfs/dbraw/zinc/15/07/14/191150714.db2.gz NLVYBXHFUWRFLO-WJUDILCISA-N 0 0 313.482 3.321 10 30 in-vitro DGEERN COc1cccc(/C=N/NC(=S)Nc2ccc(C)cc2)c1O ZINC000000502783 180808629 /nfs/dbraw/zinc/80/86/29/180808629.db2.gz ABPUSTJTGLXVSA-LICLKQGHSA-N 0 0 315.398 3.030 10 30 DGEERN CCc1nc(C2(NCc3cc(C#N)ccc3F)CCCC2)no1 ZINC000173694746 198241583 /nfs/dbraw/zinc/24/15/83/198241583.db2.gz WONAAVZLCJFHMB-UHFFFAOYSA-N 0 0 314.364 3.202 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173913976 198267799 /nfs/dbraw/zinc/26/77/99/198267799.db2.gz SPCHQXVPNYVKPO-CABCVRRESA-N 0 0 313.401 3.031 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccnc1 ZINC000174230289 198308648 /nfs/dbraw/zinc/30/86/48/198308648.db2.gz QNQWBDBQWPGIIY-ZDUSSCGKSA-N 0 0 309.369 3.483 10 30 DGEERN CC(C)c1nc(C2(NCc3ccc(C#N)o3)CCCC2)no1 ZINC000174328301 198320196 /nfs/dbraw/zinc/32/01/96/198320196.db2.gz PUUWHUNGONFPAS-UHFFFAOYSA-N 0 0 300.362 3.217 10 30 DGEERN S=C(N/N=C/c1ccccc1Cl)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322181 181097952 /nfs/dbraw/zinc/09/79/52/181097952.db2.gz MZMUFDZSLYLRJO-BODQUOECSA-N 0 0 305.834 3.103 10 30 DGEERN CC1(CNC(=O)c2ccccc2Oc2ccccc2C#N)COC1 ZINC000182868715 199503314 /nfs/dbraw/zinc/50/33/14/199503314.db2.gz RRTFXPDTZRUZOQ-UHFFFAOYSA-N 0 0 322.364 3.117 10 30 DGEERN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](C)c1cccnc1 ZINC000132156661 432046761 /nfs/dbraw/zinc/04/67/61/432046761.db2.gz TUPLRUKUSRKJIP-GFCCVEGCSA-N 0 0 319.368 3.065 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1cccn1C ZINC000075698917 191510003 /nfs/dbraw/zinc/51/00/03/191510003.db2.gz BARGZXOEPOWFCJ-RHSMWYFYSA-N 0 0 323.396 3.028 10 30 DGEERN N#Cc1cc(N2CC[C@@H]3CCC[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC000408435893 283106259 /nfs/dbraw/zinc/10/62/59/283106259.db2.gz RFOSKRFXUKRELB-MEDUHNTESA-N 0 0 308.341 3.393 10 30 DGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000005370610 181234917 /nfs/dbraw/zinc/23/49/17/181234917.db2.gz RTUJNMNBYUSXIH-XNTDXEJSSA-N 0 0 300.274 3.339 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@@H](Sc2cc(C#N)ccn2)C1 ZINC000085333719 192490841 /nfs/dbraw/zinc/49/08/41/192490841.db2.gz LDQPHESVKQNCKO-GFCCVEGCSA-N 0 0 305.403 3.055 10 30 DGEERN CC[C@@H](C)NC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000179514973 432061459 /nfs/dbraw/zinc/06/14/59/432061459.db2.gz CVNOMENYYYPRQI-VXGBXAGGSA-N 0 0 306.431 3.103 10 30 DGEERN N#Cc1cccnc1N1CCc2cccc(Br)c2C1 ZINC000301262790 283219176 /nfs/dbraw/zinc/21/91/76/283219176.db2.gz DJBIYSDLNLRWMG-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCCO2)cc1 ZINC000180116583 199119671 /nfs/dbraw/zinc/11/96/71/199119671.db2.gz DCCRTRCAMGZXFM-IBGZPJMESA-N 0 0 320.392 3.411 10 30 DGEERN N#Cc1ccc(Cl)cc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186152781 199921123 /nfs/dbraw/zinc/92/11/23/199921123.db2.gz GKIJXAWENYZTFM-ZFWWWQNUSA-N 0 0 318.829 3.485 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000134727869 432084448 /nfs/dbraw/zinc/08/44/48/432084448.db2.gz MGAKNBWWGBSWIR-HNNXBMFYSA-N 0 0 306.431 3.210 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CCC1 ZINC000189265725 200372634 /nfs/dbraw/zinc/37/26/34/200372634.db2.gz MMVNNPBWHADMHC-HNNXBMFYSA-N 0 0 314.429 3.137 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000276046908 212646308 /nfs/dbraw/zinc/64/63/08/212646308.db2.gz XIHTZJAUVFQAGJ-CXAGYDPISA-N 0 0 303.406 3.255 10 30 DGEERN C=CCC[C@H](O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000246074387 432091389 /nfs/dbraw/zinc/09/13/89/432091389.db2.gz YORULNYLQXOQMS-KBPBESRZSA-N 0 0 324.490 3.141 10 30 DGEERN CCCCCOc1ccc(/C=N/NC(=S)NCC)cc1OC ZINC000006050976 181308726 /nfs/dbraw/zinc/30/87/26/181308726.db2.gz HJPKPROUYBMFEB-LDADJPATSA-N 0 0 323.462 3.082 10 30 DGEERN COC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435958548 238376147 /nfs/dbraw/zinc/37/61/47/238376147.db2.gz WYIRFVZLCZLWQD-HNNXBMFYSA-N 0 0 315.304 3.405 10 30 DGEERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccnc(C#N)c1 ZINC000193308866 201026185 /nfs/dbraw/zinc/02/61/85/201026185.db2.gz AONOROHWGAABGL-IUODEOHRSA-N 0 0 309.344 3.111 10 30 DGEERN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccnc(C#N)c2)cc1 ZINC000193370181 201040424 /nfs/dbraw/zinc/04/04/24/201040424.db2.gz FUCFCVLMPUSJNI-UHFFFAOYSA-N 0 0 307.397 3.312 10 30 DGEERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000193373772 201041644 /nfs/dbraw/zinc/04/16/44/201041644.db2.gz OQEGNZXRTJMIKR-GOSISDBHSA-N 0 0 307.397 3.355 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000193496896 201062973 /nfs/dbraw/zinc/06/29/73/201062973.db2.gz DOOFZIKADFHWFO-CQSZACIVSA-N 0 0 320.396 3.044 10 30 DGEERN N#Cc1cc(C(=O)OCc2ccc(OCC3CC3)cc2)ccn1 ZINC000193731975 201113460 /nfs/dbraw/zinc/11/34/60/201113460.db2.gz RHCRQERUWDNLCY-UHFFFAOYSA-N 0 0 308.337 3.099 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1cccc(Cl)c1 ZINC000189860005 432097917 /nfs/dbraw/zinc/09/79/17/432097917.db2.gz SAVNKPBKGNNGIA-JTQLQIEISA-N 0 0 300.745 3.408 10 30 DGEERN Cc1cccc(OCCNC(=O)NCC2CCC(C#N)CC2)c1 ZINC000440991379 239001035 /nfs/dbraw/zinc/00/10/35/239001035.db2.gz XFORECMAISYALK-UHFFFAOYSA-N 0 0 315.417 3.003 10 30 DGEERN COc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1C#N ZINC000194506401 201239924 /nfs/dbraw/zinc/23/99/24/201239924.db2.gz CWYAIQBDUFVDTL-ZIAGYGMSSA-N 0 0 324.380 3.212 10 30 DGEERN Cn1c2cc(NCc3ccc(C#N)c(F)c3)ccc2ccc1=O ZINC000447409561 239635098 /nfs/dbraw/zinc/63/50/98/239635098.db2.gz WCPQMMONIZJRPH-UHFFFAOYSA-N 0 0 307.328 3.161 10 30 DGEERN CC(C)CN(C(=O)NCCOc1ccc(C#N)cc1)C(C)C ZINC000074736666 283804538 /nfs/dbraw/zinc/80/45/38/283804538.db2.gz UBAPEDFFERBIDQ-UHFFFAOYSA-N 0 0 303.406 3.013 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CN1CSCC1=O ZINC000189908911 432104893 /nfs/dbraw/zinc/10/48/93/432104893.db2.gz KIBHNNNLVVQJFI-UHFFFAOYSA-N 0 0 318.442 3.010 10 30 DGEERN C=CCC[C@@H](NCc1ncc(C(F)(F)F)s1)C(=O)OCC ZINC000449658508 240347739 /nfs/dbraw/zinc/34/77/39/240347739.db2.gz SWLJFMVEQBUTSJ-SECBINFHSA-N 0 0 322.352 3.149 10 30 DGEERN Cc1n[nH]cc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101592 192989252 /nfs/dbraw/zinc/98/92/52/192989252.db2.gz KSGZQPHHQPERHR-UHFFFAOYSA-N 0 0 316.364 3.187 10 30 DGEERN CC(C)c1ccc([C@H]2C3=C(COC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000006907242 181403934 /nfs/dbraw/zinc/40/39/34/181403934.db2.gz RVNUPAQJWSKLNF-QGZVFWFLSA-N 0 0 323.392 3.315 10 30 DGEERN COCCc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000189973258 432108072 /nfs/dbraw/zinc/10/80/72/432108072.db2.gz MUUXYCFGIHSXFB-AWEZNQCLSA-N 0 0 324.380 3.153 10 30 DGEERN CCS[C@H](C)c1noc(CN(C)Cc2cc(C#N)cs2)n1 ZINC000092044583 193146536 /nfs/dbraw/zinc/14/65/36/193146536.db2.gz YEOIJWJLDKKSIF-SNVBAGLBSA-N 0 0 322.459 3.449 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000451395706 241109362 /nfs/dbraw/zinc/10/93/62/241109362.db2.gz WLJYSXPIGMQGPS-MQMHXKEQSA-N 0 0 313.788 3.226 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000451677356 241204292 /nfs/dbraw/zinc/20/42/92/241204292.db2.gz BXFFMSOLVCIRSG-KZNAEPCWSA-N 0 0 319.408 3.305 10 30 DGEERN C[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451444618 241125813 /nfs/dbraw/zinc/12/58/13/241125813.db2.gz FBZDZSFQQDOQBL-BLLLJJGKSA-N 0 0 324.421 3.086 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000452142162 241328745 /nfs/dbraw/zinc/32/87/45/241328745.db2.gz LMBXVHUHIGDGAM-KEYYUXOJSA-N 0 0 307.397 3.303 10 30 DGEERN CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(C#N)cn2C)c1 ZINC000081014941 283907784 /nfs/dbraw/zinc/90/77/84/283907784.db2.gz JHKNMZDXQBGDDW-CYBMUJFWSA-N 0 0 311.385 3.175 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000081052240 283909146 /nfs/dbraw/zinc/90/91/46/283909146.db2.gz FQQLRKWSTDIILB-UHFFFAOYSA-N 0 0 307.397 3.339 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000452486683 241430295 /nfs/dbraw/zinc/43/02/95/241430295.db2.gz QNUORNUBLKAKBM-LPHOPBHVSA-N 0 0 317.404 3.059 10 30 DGEERN C=CCCOCCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452601291 241465063 /nfs/dbraw/zinc/46/50/63/241465063.db2.gz WDULGUGKZDEKFS-KZNAEPCWSA-N 0 0 323.477 3.292 10 30 DGEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000181033133 432111244 /nfs/dbraw/zinc/11/12/44/432111244.db2.gz ZBNBGVGWLUCBBY-CYBMUJFWSA-N 0 0 315.760 3.183 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453472736 241799013 /nfs/dbraw/zinc/79/90/13/241799013.db2.gz YDUYNHFHNPMBAQ-HDMKZQKVSA-N 0 0 318.465 3.362 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CCC23CCCC3)cc1F ZINC000454861255 242050287 /nfs/dbraw/zinc/05/02/87/242050287.db2.gz QBBVOIOSXXGREZ-OAHLLOKOSA-N 0 0 301.365 3.219 10 30 DGEERN N#CCC1(CNC(=O)N2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000454888348 242057523 /nfs/dbraw/zinc/05/75/23/242057523.db2.gz OWSNEERSEPHFQR-UHFFFAOYSA-N 0 0 321.783 3.241 10 30 DGEERN C=CCCOCCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454725318 242019370 /nfs/dbraw/zinc/01/93/70/242019370.db2.gz YBGLQVIYNYNGPU-MRXNPFEDSA-N 0 0 324.371 3.404 10 30 DGEERN C=C(CC)CNC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000455324821 242168014 /nfs/dbraw/zinc/16/80/14/242168014.db2.gz MEQVNQGPDDBOSF-UHFFFAOYSA-N 0 0 302.353 3.314 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H](C)Cc1cnn(C)c1 ZINC000455373184 242183408 /nfs/dbraw/zinc/18/34/08/242183408.db2.gz ANATYFXZXAPHDD-AWEZNQCLSA-N 0 0 312.417 3.291 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](CCCO)C1 ZINC000455391302 242187825 /nfs/dbraw/zinc/18/78/25/242187825.db2.gz ZBYADLILJIBWHH-HNNXBMFYSA-N 0 0 302.418 3.432 10 30 DGEERN CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455543028 242230642 /nfs/dbraw/zinc/23/06/42/242230642.db2.gz OATXFTQANCHMEV-ZDUSSCGKSA-N 0 0 301.365 3.195 10 30 DGEERN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1C ZINC000089918681 283974022 /nfs/dbraw/zinc/97/40/22/283974022.db2.gz TTYFQEHEDDTTMR-AWEZNQCLSA-N 0 0 322.364 3.475 10 30 DGEERN CCCN(Cc1nnc(C2CCC2)n1C)Cc1ccc(C#N)cc1 ZINC000181096159 432114250 /nfs/dbraw/zinc/11/42/50/432114250.db2.gz JKZBYBZCSRSTAS-UHFFFAOYSA-N 0 0 323.444 3.366 10 30 DGEERN CCCCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@H]1OC ZINC000456193838 242376524 /nfs/dbraw/zinc/37/65/24/242376524.db2.gz PCTGPUZHFYICLG-NVXWUHKLSA-N 0 0 317.433 3.097 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000457728045 242855443 /nfs/dbraw/zinc/85/54/43/242855443.db2.gz HBZVMVOLTSLZTA-UWVGGRQHSA-N 0 0 302.827 3.089 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CS2)c1ccc(F)c(F)c1 ZINC000458664685 243120023 /nfs/dbraw/zinc/12/00/23/243120023.db2.gz HWHUHWRFSCOTFB-SLEUVZQESA-N 0 0 324.396 3.481 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000458740215 243143545 /nfs/dbraw/zinc/14/35/45/243143545.db2.gz RDXCAOFCJUKXKX-FVQBIDKESA-N 0 0 322.836 3.212 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458833482 243171587 /nfs/dbraw/zinc/17/15/87/243171587.db2.gz IXKQZNWQNRJOCO-DLBZAZTESA-N 0 0 315.417 3.048 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000459097518 243250509 /nfs/dbraw/zinc/25/05/09/243250509.db2.gz ZJUHYZSYHDJRKP-ROUUACIJSA-N 0 0 309.413 3.302 10 30 DGEERN C=CCC1(CNC(=O)NC[C@@H](CO)c2ccccc2)CCCC1 ZINC000459046996 243235622 /nfs/dbraw/zinc/23/56/22/243235622.db2.gz HAEVEBQUDSDTTG-KRWDZBQOSA-N 0 0 316.445 3.198 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000467752167 244004899 /nfs/dbraw/zinc/00/48/99/244004899.db2.gz FDCLKIBZAGESHI-MRXNPFEDSA-N 0 0 301.430 3.449 10 30 DGEERN C=CCOc1ccc(CN[C@H](C(=O)OC)c2cccs2)cc1 ZINC000475135140 244450264 /nfs/dbraw/zinc/45/02/64/244450264.db2.gz CUPHZQPUHSYIRG-INIZCTEOSA-N 0 0 317.410 3.317 10 30 DGEERN COC(=O)[C@@H](C)N(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000190071584 432121042 /nfs/dbraw/zinc/12/10/42/432121042.db2.gz WHZOGDJLBBLYTP-CYBMUJFWSA-N 0 0 305.805 3.108 10 30 DGEERN C=C(Br)CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246341189 432121911 /nfs/dbraw/zinc/12/19/11/432121911.db2.gz FEUCTABPSRTNBO-PWSUYJOCSA-N 0 0 302.237 3.419 10 30 DGEERN CC(=O)Oc1c(C#N)cc(Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000096295565 193610746 /nfs/dbraw/zinc/61/07/46/193610746.db2.gz BFTKZGFOEFHZDG-UHFFFAOYSA-N 0 0 310.309 3.291 10 30 DGEERN CCCC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488723536 245223256 /nfs/dbraw/zinc/22/32/56/245223256.db2.gz ILAAQTPXANOGGP-LRDDRELGSA-N 0 0 324.421 3.335 10 30 DGEERN O=C1NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H](c2ccco2)N1 ZINC000008518544 181561522 /nfs/dbraw/zinc/56/15/22/181561522.db2.gz HDROVCPGALLLTL-PXAZEXFGSA-N 0 0 308.337 3.034 10 30 DGEERN COc1cc(C#N)ccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000009437944 181621393 /nfs/dbraw/zinc/62/13/93/181621393.db2.gz AKVIOLIKJOVISV-UONOGXRCSA-N 0 0 324.380 3.212 10 30 DGEERN N#Cc1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c[nH]1 ZINC000181350701 432124748 /nfs/dbraw/zinc/12/47/48/432124748.db2.gz CTHVPZLAIIHUNR-MRXNPFEDSA-N 0 0 321.380 3.453 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCO[C@@H]1C(=C)C ZINC000278239313 214040922 /nfs/dbraw/zinc/04/09/22/214040922.db2.gz KTFUSVPPTYUKHC-QZTJIDSGSA-N 0 0 310.397 3.054 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OC2CCOCC2)cc1 ZINC000266071049 205075851 /nfs/dbraw/zinc/07/58/51/205075851.db2.gz XIUDHCWFMPJLNW-UHFFFAOYSA-N 0 0 303.402 3.283 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000135127321 335019405 /nfs/dbraw/zinc/01/94/05/335019405.db2.gz FWDYRNDALBNLKV-SJLPKXTDSA-N 0 0 303.402 3.197 10 30 DGEERN C=CCNC(=O)[C@H](C)Sc1ncnc2sc(CC)cc21 ZINC000016712702 182058697 /nfs/dbraw/zinc/05/86/97/182058697.db2.gz NQQVHNISQLIMNU-VIFPVBQESA-N 0 0 307.444 3.037 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000128839579 284388875 /nfs/dbraw/zinc/38/88/75/284388875.db2.gz SHWGQRMTSIOFHM-HNNXBMFYSA-N 0 0 319.408 3.347 10 30 DGEERN COc1cccc(Cn2c(C)nnc2-c2cccc(C#N)c2)c1 ZINC000129288731 284404844 /nfs/dbraw/zinc/40/48/44/284404844.db2.gz KREGGVCPRGIYQT-UHFFFAOYSA-N 0 0 304.353 3.182 10 30 DGEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1Cl ZINC000019984775 182173630 /nfs/dbraw/zinc/17/36/30/182173630.db2.gz WNZXUNPNVQAWMA-UHFFFAOYSA-N 0 0 306.774 3.154 10 30 DGEERN N#Cc1ccnc(C(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC000283190657 217486027 /nfs/dbraw/zinc/48/60/27/217486027.db2.gz YQIPRKKUGHCMLP-UHFFFAOYSA-N 0 0 312.398 3.321 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000246487726 432136231 /nfs/dbraw/zinc/13/62/31/432136231.db2.gz AKWCBXMKPZYCDK-HOCLYGCPSA-N 0 0 317.433 3.123 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCNC(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000274476336 211646239 /nfs/dbraw/zinc/64/62/39/211646239.db2.gz OQYBSZRRYFBDBV-JKSUJKDBSA-N 0 0 320.477 3.298 10 30 DGEERN C(#Cc1ccccc1)CNc1cccc(-c2nnnn2C2CC2)c1 ZINC000190331837 432145348 /nfs/dbraw/zinc/14/53/48/432145348.db2.gz FEBCXPNTSPZJBJ-UHFFFAOYSA-N 0 0 315.380 3.139 10 30 DGEERN C=CCNc1ncnc(Oc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040599036 183107875 /nfs/dbraw/zinc/10/78/75/183107875.db2.gz NHJZQJLAUHBZRN-UHFFFAOYSA-N 0 0 300.318 3.337 10 30 DGEERN C=CCNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040598992 183108008 /nfs/dbraw/zinc/10/80/08/183108008.db2.gz UKRHCEGUMNVUJG-UHFFFAOYSA-N 0 0 307.260 3.005 10 30 DGEERN C=CCNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040598631 183108263 /nfs/dbraw/zinc/10/82/63/183108263.db2.gz CXRUCOUCBBIHHQ-UHFFFAOYSA-N 0 0 303.366 3.285 10 30 DGEERN CC(C)N(CCC#N)CC(=O)Nc1ccccc1Br ZINC000042530697 183281966 /nfs/dbraw/zinc/28/19/66/183281966.db2.gz HBIOPNLBNLXQQO-UHFFFAOYSA-N 0 0 324.222 3.012 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2ccc(NC(C)=O)cc2)no1)OCC ZINC000273792106 211063953 /nfs/dbraw/zinc/06/39/53/211063953.db2.gz ULXWGIRYFHPEMC-OAHLLOKOSA-N 0 0 315.373 3.219 10 30 DGEERN Cc1nn(-c2nc3c(cc2C#N)CCC3)c(C)c1Br ZINC000050593172 183789736 /nfs/dbraw/zinc/78/97/36/183789736.db2.gz VRSFYKRZFGMPIX-UHFFFAOYSA-N 0 0 317.190 3.007 10 30 DGEERN CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061890804 184193033 /nfs/dbraw/zinc/19/30/33/184193033.db2.gz JKHHAAULZAFDRG-CMPLNLGQSA-N 0 0 324.222 3.083 10 30 DGEERN COc1ccc(OC)c(CN(C)c2cc(C#N)ccc2C(C)=O)c1 ZINC000302104521 532956482 /nfs/dbraw/zinc/95/64/82/532956482.db2.gz MUYJOASHAGWQMO-UHFFFAOYSA-N 0 0 324.380 3.414 10 30 DGEERN C=CCC[C@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000269450075 207550267 /nfs/dbraw/zinc/55/02/67/207550267.db2.gz KVFCNQAVYIBLCR-YESZJQIVSA-N 0 0 302.418 3.154 10 30 DGEERN N#Cc1cc(C(=O)NCCCCCc2ccc(F)cc2)ccn1 ZINC000194040379 207638321 /nfs/dbraw/zinc/63/83/21/207638321.db2.gz XFMPIGNBSZHOBM-UHFFFAOYSA-N 0 0 311.360 3.235 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000119882325 195054527 /nfs/dbraw/zinc/05/45/27/195054527.db2.gz RNHVCRDWQFJRFM-QGZVFWFLSA-N 0 0 305.381 3.193 10 30 DGEERN Cc1csc([C@@H]2CN([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249408598 285072931 /nfs/dbraw/zinc/07/29/31/285072931.db2.gz XHNWLXUSNCJSOC-CJNGLKHVSA-N 0 0 313.426 3.458 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)Cc1nc2c(s1)CCCC2)OCC ZINC000270187263 208251646 /nfs/dbraw/zinc/25/16/46/208251646.db2.gz OCUUMFGLEWMWDY-AWEZNQCLSA-N 0 0 322.474 3.352 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000270318248 208389123 /nfs/dbraw/zinc/38/91/23/208389123.db2.gz FSQWMTHNCVSTRE-ASSNKEHSSA-N 0 0 308.447 3.093 10 30 DGEERN C=CCC[C@@H](NC(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000158697054 197295085 /nfs/dbraw/zinc/29/50/85/197295085.db2.gz FHDWXCVSWVWTMK-QGZVFWFLSA-N 0 0 312.417 3.198 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC000158247770 197257180 /nfs/dbraw/zinc/25/71/80/197257180.db2.gz JVGMSQQDSHHYED-STQMWFEESA-N 0 0 313.275 3.133 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCC=C(c2ccncc2)C1 ZINC000343922452 254203223 /nfs/dbraw/zinc/20/32/23/254203223.db2.gz UWCNTZIOIGVQMO-UHFFFAOYSA-N 0 0 303.365 3.450 10 30 DGEERN C[C@@H](C#N)Oc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184061577 533161445 /nfs/dbraw/zinc/16/14/45/533161445.db2.gz NLXMQBHPODIKMQ-UGSOOPFHSA-N 0 0 324.380 3.405 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2cccc(NS(C)(=O)=O)c2)no1 ZINC000288944304 335059053 /nfs/dbraw/zinc/05/90/53/335059053.db2.gz JVLVUHKCKVVMIR-LLVKDONJSA-N 0 0 321.402 3.178 10 30 DGEERN CC1(C)CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000074524584 184993360 /nfs/dbraw/zinc/99/33/60/184993360.db2.gz ORXTYSSJKWVFJZ-UHFFFAOYSA-N 0 0 303.381 3.465 10 30 DGEERN CC[C@@H](O)CN(Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000121045675 195287466 /nfs/dbraw/zinc/28/74/66/195287466.db2.gz XNNOAZVGDQNECQ-GOSISDBHSA-N 0 0 310.397 3.344 10 30 DGEERN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180596329 533460741 /nfs/dbraw/zinc/46/07/41/533460741.db2.gz JAYWACFFSSJLDR-ZDUSSCGKSA-N 0 0 322.364 3.226 10 30 DGEERN CO[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[C@@H]1C ZINC000251540900 533462725 /nfs/dbraw/zinc/46/27/25/533462725.db2.gz DQIIDUYTOUKYPX-USXIJHARSA-N 0 0 315.417 3.098 10 30 DGEERN C=C(C)CN(C)C(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000479240039 533489477 /nfs/dbraw/zinc/48/94/77/533489477.db2.gz HKBHLSKOSKZGJS-UHFFFAOYSA-N 0 0 314.385 3.317 10 30 DGEERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CC[C@H]2CCC[C@H]21 ZINC000330264824 296535519 /nfs/dbraw/zinc/53/55/19/296535519.db2.gz YJOXQYVAIGMEGK-ZWNOBZJWSA-N 0 0 301.346 3.087 10 30 DGEERN CCCCOc1ccc(/C=C/C(=O)NO)cc1Br ZINC000005298785 400087601 /nfs/dbraw/zinc/08/76/01/400087601.db2.gz FSDNIHUUBAWDFE-FNORWQNLSA-N 0 0 314.179 3.147 10 30 DGEERN C/C(=C/c1cccc(C(F)(F)F)c1)CN1CCO[C@@H](C#N)C1 ZINC000584681736 400087695 /nfs/dbraw/zinc/08/76/95/400087695.db2.gz RABBUIPSQCIRQV-XCHKQJEOSA-N 0 0 310.319 3.333 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000066522936 400095661 /nfs/dbraw/zinc/09/56/61/400095661.db2.gz RGYVLPGSMRVLTC-CHWSQXEVSA-N 0 0 301.390 3.111 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1SC ZINC000584777410 400102094 /nfs/dbraw/zinc/10/20/94/400102094.db2.gz IKLFNZLTCVTNLQ-IPYPFGDCSA-N 0 0 320.458 3.360 10 30 DGEERN N#Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)c2ccccc2n1 ZINC000091430982 400118776 /nfs/dbraw/zinc/11/87/76/400118776.db2.gz CUZAXPLSOHXLGK-MOPGFXCFSA-N 0 0 301.349 3.177 10 30 DGEERN CN(C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C1(C#N)CCC1 ZINC000066336016 400079697 /nfs/dbraw/zinc/07/96/97/400079697.db2.gz RMPLXAWESYBJRI-UHFFFAOYSA-N 0 0 324.424 3.433 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000066337299 400079735 /nfs/dbraw/zinc/07/97/35/400079735.db2.gz QZSBIXYEMURMNZ-AWEZNQCLSA-N 0 0 300.402 3.382 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600477216 400082194 /nfs/dbraw/zinc/08/21/94/400082194.db2.gz DCGWZMYPISHEKI-HNNXBMFYSA-N 0 0 312.413 3.282 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1cc(CO)ccc1F ZINC000600634926 400117038 /nfs/dbraw/zinc/11/70/38/400117038.db2.gz LCKJTFCGJXRESI-ZDUSSCGKSA-N 0 0 323.433 3.140 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000581971009 400084281 /nfs/dbraw/zinc/08/42/81/400084281.db2.gz DKOQNYPWHFZWQX-CQSZACIVSA-N 0 0 307.459 3.066 10 30 DGEERN Cc1cc(C#N)nc(Nc2ccc3c(cnn3C(F)F)c2)n1 ZINC000588004573 400179615 /nfs/dbraw/zinc/17/96/15/400179615.db2.gz UNKDUJWDXWTPIR-UHFFFAOYSA-N 0 0 300.272 3.145 10 30 DGEERN CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)NCc2nccs2)cn1 ZINC000328615532 400182224 /nfs/dbraw/zinc/18/22/24/400182224.db2.gz AWFGCIPCDFVDIP-GXTWGEPZSA-N 0 0 320.418 3.155 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)NCc1cccs1 ZINC000328612054 400182670 /nfs/dbraw/zinc/18/26/70/400182670.db2.gz NROVCJXMVDONKG-ZFWWWQNUSA-N 0 0 319.430 3.333 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000616478292 400156198 /nfs/dbraw/zinc/15/61/98/400156198.db2.gz OCIGCELNNHVMOD-ZACQAIPSSA-N 0 0 320.477 3.132 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1F ZINC000015800984 400168162 /nfs/dbraw/zinc/16/81/62/400168162.db2.gz PHEDPCHNZBRQRB-JTQLQIEISA-N 0 0 302.280 3.242 10 30 DGEERN C=CCCc1noc([C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000351130436 400234883 /nfs/dbraw/zinc/23/48/83/400234883.db2.gz JIFYDHYGBODINZ-CYBMUJFWSA-N 0 0 317.414 3.156 10 30 DGEERN CC(C)(C)OC(=O)N1CCOCC[C@H]1c1ccccc1C#N ZINC000616658740 400195244 /nfs/dbraw/zinc/19/52/44/400195244.db2.gz LEHLJNDJGKMANU-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN CS(=O)(=O)N1c2ccccc2CC[C@H]1c1ccc(C#N)cc1 ZINC000616670535 400197999 /nfs/dbraw/zinc/19/79/99/400197999.db2.gz VFETZURRONHXOC-KRWDZBQOSA-N 0 0 312.394 3.012 10 30 DGEERN N#Cc1cc(Br)ccc1CN1CC[C@H](C(F)F)C1 ZINC000588203857 400201635 /nfs/dbraw/zinc/20/16/35/400201635.db2.gz GITPSHZMGFVLMO-JTQLQIEISA-N 0 0 315.161 3.408 10 30 DGEERN C=CCCC(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000588215616 400202575 /nfs/dbraw/zinc/20/25/75/400202575.db2.gz PNBKRTWDVVECGB-INIZCTEOSA-N 0 0 307.397 3.083 10 30 DGEERN N#Cc1ccc(CNC(=O)NC(C2CCC2)C2CCC2)c(F)c1 ZINC000588217241 400202833 /nfs/dbraw/zinc/20/28/33/400202833.db2.gz HRBKADIFIOOWMY-UHFFFAOYSA-N 0 0 315.392 3.465 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000601038361 400208808 /nfs/dbraw/zinc/20/88/08/400208808.db2.gz LVLOKLOLWYFHAL-UHFFFAOYSA-N 0 0 310.397 3.284 10 30 DGEERN C=C[C@](C)(CCOC)c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC000350064602 400209396 /nfs/dbraw/zinc/20/93/96/400209396.db2.gz KXWRBMZGCVQVMQ-QGZVFWFLSA-N 0 0 312.373 3.104 10 30 DGEERN C[C@H]1CN(C(=O)CCCCCC#N)C[C@@H](c2ccccc2)O1 ZINC000588310093 400210710 /nfs/dbraw/zinc/21/07/10/400210710.db2.gz IJGJGHDXISTSJG-RDJZCZTQSA-N 0 0 300.402 3.449 10 30 DGEERN C=CCCn1cc(CS[C@H](C(=O)OC(C)(C)C)C2CC2)nn1 ZINC000601057665 400217148 /nfs/dbraw/zinc/21/71/48/400217148.db2.gz YGHRFMXMAJHXMM-AWEZNQCLSA-N 0 0 323.462 3.208 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000610498277 400264248 /nfs/dbraw/zinc/26/42/48/400264248.db2.gz SFEJVMLVIOZFTR-XDNAFOTISA-N 0 0 312.413 3.271 10 30 DGEERN C=C1CC(C)(C(=O)N2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601640472 400322218 /nfs/dbraw/zinc/32/22/18/400322218.db2.gz OHDODQDSMHMDPL-JSGCOSHPSA-N 0 0 307.434 3.169 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)c1ccncc1 ZINC000610530514 400272978 /nfs/dbraw/zinc/27/29/78/400272978.db2.gz POMYRERJLWBDQW-CYBMUJFWSA-N 0 0 324.384 3.277 10 30 DGEERN CC(C)(C)OC(=O)[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000610542063 400273722 /nfs/dbraw/zinc/27/37/22/400273722.db2.gz LPPQXJRFNLCETK-CYBMUJFWSA-N 0 0 323.396 3.274 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(N)=O)cc1 ZINC000617036688 400287847 /nfs/dbraw/zinc/28/78/47/400287847.db2.gz DAWYMADAVXUNQA-IUODEOHRSA-N 0 0 301.390 3.042 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000617036583 400287992 /nfs/dbraw/zinc/28/79/92/400287992.db2.gz BYULVEGWZLIASV-SJLPKXTDSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)COCc1cccc(OC)c1 ZINC000617037321 400288248 /nfs/dbraw/zinc/28/82/48/400288248.db2.gz LQLBWVKGDWXEME-SJLPKXTDSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c(OC)cccc1OC ZINC000617040380 400290267 /nfs/dbraw/zinc/29/02/67/400290267.db2.gz TUSLPEDWNHLHJO-GDBMZVCRSA-N 0 0 317.429 3.497 10 30 DGEERN C=CCN(Cc1ccc(C(=O)OC)c(F)c1)CC(F)(F)F ZINC000610681787 400290396 /nfs/dbraw/zinc/29/03/96/400290396.db2.gz HGOVAZCRXJXULT-UHFFFAOYSA-N 0 0 305.271 3.163 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cn(C2CC2)c(C)cc1=O ZINC000617042322 400290847 /nfs/dbraw/zinc/29/08/47/400290847.db2.gz QBRDZJALWQEOPM-YOEHRIQHSA-N 0 0 314.429 3.356 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)OC ZINC000617043477 400291082 /nfs/dbraw/zinc/29/10/82/400291082.db2.gz AHLFZUGRFIRBHA-SQNIBIBYSA-N 0 0 301.430 3.495 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(OCCOC)CC1 ZINC000617042525 400291137 /nfs/dbraw/zinc/29/11/37/400291137.db2.gz SINPAZCFMGFLPN-CPFNUKBASA-N 0 0 323.477 3.459 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)OC ZINC000617043474 400291142 /nfs/dbraw/zinc/29/11/42/400291142.db2.gz AHLFZUGRFIRBHA-FGTMMUONSA-N 0 0 301.430 3.495 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000617043536 400291386 /nfs/dbraw/zinc/29/13/86/400291386.db2.gz BEFYTGWZXXLIFA-UKRRQHHQSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000617043471 400291546 /nfs/dbraw/zinc/29/15/46/400291546.db2.gz AGYYLUPMLDCTGJ-IIAWOOMASA-N 0 0 301.434 3.330 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1N ZINC000617044670 400291973 /nfs/dbraw/zinc/29/19/73/400291973.db2.gz QOSILIXLAFYBRP-WMLDXEAASA-N 0 0 324.428 3.319 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000069320908 400323927 /nfs/dbraw/zinc/32/39/27/400323927.db2.gz LOPUUBJQDDIMRB-CYBMUJFWSA-N 0 0 304.390 3.201 10 30 DGEERN CCO[C@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1(CC)CC ZINC000504449109 400306718 /nfs/dbraw/zinc/30/67/18/400306718.db2.gz DKUUPUGCDPMCPM-GJZGRUSLSA-N 0 0 321.465 3.305 10 30 DGEERN C=C1CC(C)(C(=O)Nc2nc(C(=O)OC)c(C(C)C)s2)C1 ZINC000601586173 400312244 /nfs/dbraw/zinc/31/22/44/400312244.db2.gz WWSQUTPCGDVDAA-UHFFFAOYSA-N 0 0 308.403 3.348 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610849884 400312964 /nfs/dbraw/zinc/31/29/64/400312964.db2.gz BKBMDUGVUDFFDS-UKRRQHHQSA-N 0 0 318.417 3.191 10 30 DGEERN N#CC1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000105092751 400319876 /nfs/dbraw/zinc/31/98/76/400319876.db2.gz WJRGVDNKOGRAGI-KRWDZBQOSA-N 0 0 309.369 3.314 10 30 DGEERN C=CCCC1(CNC(=O)CCNC(=O)CC(C)C)CCCC1 ZINC000617416904 400384108 /nfs/dbraw/zinc/38/41/08/400384108.db2.gz CEVKWOFXOUKOOO-UHFFFAOYSA-N 0 0 308.466 3.182 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)CCCC1 ZINC000617416106 400384173 /nfs/dbraw/zinc/38/41/73/400384173.db2.gz BIUYQTOHGDYMAJ-AWEZNQCLSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCC1(CNC(=O)CCn2c(C)csc2=O)CCCC1 ZINC000617416074 400384314 /nfs/dbraw/zinc/38/43/14/400384314.db2.gz AACIGSNHUKJWPZ-UHFFFAOYSA-N 0 0 322.474 3.251 10 30 DGEERN C=CCCC1(CNC(=O)CC2CCN(OC)CC2)CCCC1 ZINC000617418202 400385274 /nfs/dbraw/zinc/38/52/74/400385274.db2.gz WIGRBLIKOGEVED-UHFFFAOYSA-N 0 0 308.466 3.293 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](CC(=C)C)NC(C)=O)CCCC1 ZINC000617417658 400385447 /nfs/dbraw/zinc/38/54/47/400385447.db2.gz ADFWCPYOEPUATA-MRXNPFEDSA-N 0 0 306.450 3.100 10 30 DGEERN C=CCCC1(CNC(=O)C2(COC)CCOCC2)CCCC1 ZINC000617418270 400385491 /nfs/dbraw/zinc/38/54/91/400385491.db2.gz YKIRAAHGPGMKBC-UHFFFAOYSA-N 0 0 309.450 3.072 10 30 DGEERN C[C@H]1CSC(Nc2ccc(I)cc2)=N1 ZINC000035286924 400387628 /nfs/dbraw/zinc/38/76/28/400387628.db2.gz AKPIDTFSDQKBFA-ZETCQYMHSA-N 0 0 318.183 3.004 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)C1 ZINC000601682983 400327762 /nfs/dbraw/zinc/32/77/62/400327762.db2.gz LWXAPNXZKFSZRL-NSHDSACASA-N 0 0 321.348 3.061 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000069467997 400331677 /nfs/dbraw/zinc/33/16/77/400331677.db2.gz NVMWTCKIMMSVOC-UHFFFAOYSA-N 0 0 300.255 3.498 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000578878728 400332326 /nfs/dbraw/zinc/33/23/26/400332326.db2.gz FSXPVDQZFGJXHI-LBPRGKRZSA-N 0 0 318.343 3.069 10 30 DGEERN C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccncc1 ZINC000610986127 400333169 /nfs/dbraw/zinc/33/31/69/400333169.db2.gz YEFKRSNMKQPLKB-CQSZACIVSA-N 0 0 320.396 3.045 10 30 DGEERN C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccncc1 ZINC000610986123 400333189 /nfs/dbraw/zinc/33/31/89/400333189.db2.gz YEFKRSNMKQPLKB-AWEZNQCLSA-N 0 0 320.396 3.045 10 30 DGEERN C[C@](C#N)(NC(=O)c1cccc2nccnc21)C1CCCCC1 ZINC000578920188 400333286 /nfs/dbraw/zinc/33/32/86/400333286.db2.gz UIQOKSXCDJITJS-GOSISDBHSA-N 0 0 308.385 3.222 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578948315 400333502 /nfs/dbraw/zinc/33/35/02/400333502.db2.gz IKNCRVRJDPEIPG-BLLLJJGKSA-N 0 0 303.362 3.143 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000579677731 400340941 /nfs/dbraw/zinc/34/09/41/400340941.db2.gz XUCAJNHEYPWUBM-CABCVRRESA-N 0 0 313.357 3.115 10 30 DGEERN N#Cc1ccc(CNCc2cnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000611118746 400347345 /nfs/dbraw/zinc/34/73/45/400347345.db2.gz HQLAMYHCNYHTMG-HNNXBMFYSA-N 0 0 317.389 3.295 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC ZINC000601772211 400347587 /nfs/dbraw/zinc/34/75/87/400347587.db2.gz NXGZMNDQNZIBRI-GFCCVEGCSA-N 0 0 316.184 3.231 10 30 DGEERN C=CCc1cc(CN[C@H](C)c2cscn2)cc(OC)c1O ZINC000580903472 400348577 /nfs/dbraw/zinc/34/85/77/400348577.db2.gz UXDPVMOKHSHRLI-LLVKDONJSA-N 0 0 304.415 3.437 10 30 DGEERN C=C(C)C[C@@H](NC(=O)CCCc1sccc1C)C(=O)OC ZINC000601782265 400348670 /nfs/dbraw/zinc/34/86/70/400348670.db2.gz OLDDTTXWGFWTLA-CYBMUJFWSA-N 0 0 309.431 3.003 10 30 DGEERN C=C(C)C[C@H](NC(=O)Cc1csc2ccccc12)C(=O)OC ZINC000601784662 400349606 /nfs/dbraw/zinc/34/96/06/400349606.db2.gz GKUODVQRGMRDFK-AWEZNQCLSA-N 0 0 317.410 3.068 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)c1ccccc1 ZINC000581069962 400350241 /nfs/dbraw/zinc/35/02/41/400350241.db2.gz XWKHGNKDVUFKEB-IRXDYDNUSA-N 0 0 323.458 3.038 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000611139574 400350467 /nfs/dbraw/zinc/35/04/67/400350467.db2.gz QPPOVPCWBMUPRD-MSOLQXFVSA-N 0 0 318.376 3.260 10 30 DGEERN N#CC1CCC(CNS(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000581289329 400352223 /nfs/dbraw/zinc/35/22/23/400352223.db2.gz QROUSJSTCXVOEQ-UHFFFAOYSA-N 0 0 318.398 3.041 10 30 DGEERN Cc1cc(NC(C)(C)[C@H](C)O)n2c3ccccc3nc2c1C#N ZINC000611193704 400358541 /nfs/dbraw/zinc/35/85/41/400358541.db2.gz HDDIJRMOSCYJER-LBPRGKRZSA-N 0 0 308.385 3.239 10 30 DGEERN C=C(C)Cn1c(N(C)[C@H]2CCC[C@@H]2C#N)nnc1C(C)(C)C ZINC000601874912 400369092 /nfs/dbraw/zinc/36/90/92/400369092.db2.gz RSFUICPEXCKCAM-KGLIPLIRSA-N 0 0 301.438 3.280 10 30 DGEERN Cc1onc(CC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c1C#N ZINC000611527615 400416828 /nfs/dbraw/zinc/41/68/28/400416828.db2.gz FUYSYLLPGSBGDR-WBVHZDCISA-N 0 0 323.396 3.240 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000602252908 400430779 /nfs/dbraw/zinc/43/07/79/400430779.db2.gz XDTUNHWHTPIRCE-MJGOQNOKSA-N 0 0 310.397 3.032 10 30 DGEERN C=CCNC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000118894459 400431973 /nfs/dbraw/zinc/43/19/73/400431973.db2.gz NFIZLJUUBBJQDE-UHFFFAOYSA-N 0 0 300.402 3.262 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC000602285191 400434329 /nfs/dbraw/zinc/43/43/29/400434329.db2.gz HNHFJPIZEWTXFI-XDEPDNQISA-N 0 0 320.458 3.093 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCC(F)(F)c1cccc(F)c1)OCC ZINC000617620751 400428573 /nfs/dbraw/zinc/42/85/73/400428573.db2.gz NMVMALOTBWSYFW-CQSZACIVSA-N 0 0 315.335 3.405 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH]c3=O)c2)C1 ZINC000617777733 400451551 /nfs/dbraw/zinc/45/15/51/400451551.db2.gz VUUVWPYETUUXIG-CQSZACIVSA-N 0 0 311.385 3.006 10 30 DGEERN Cc1ccc(C#N)c(N[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000127568035 400503615 /nfs/dbraw/zinc/50/36/15/400503615.db2.gz JCHSXQZFMJRAQB-CYBMUJFWSA-N 0 0 304.357 3.016 10 30 DGEERN C=CCN(Cc1cnc(OC)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000602451553 400466907 /nfs/dbraw/zinc/46/69/07/400466907.db2.gz AJBGCGQSYHJXSS-UHFFFAOYSA-N 0 0 319.386 3.248 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000126578278 400493460 /nfs/dbraw/zinc/49/34/60/400493460.db2.gz WBNGHYRKPMTNLA-XJKSGUPXSA-N 0 0 306.381 3.091 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCc1cccc(OC2CC2)c1F ZINC000618140375 400533687 /nfs/dbraw/zinc/53/36/87/400533687.db2.gz PMCIJJXIAYPVGC-GOSISDBHSA-N 0 0 321.392 3.212 10 30 DGEERN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1nccs1 ZINC000130821364 400543067 /nfs/dbraw/zinc/54/30/67/400543067.db2.gz IUOAUXTUUKIYML-DGCLKSJQSA-N 0 0 315.398 3.050 10 30 DGEERN C=CCOCC(=O)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000591667792 400548954 /nfs/dbraw/zinc/54/89/54/400548954.db2.gz ZILSAXICVKTNGF-UHFFFAOYSA-N 0 0 316.304 3.456 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc(C)n1 ZINC000612485943 400551368 /nfs/dbraw/zinc/55/13/68/400551368.db2.gz DMFYFSYICXCVBX-WMZOPIPTSA-N 0 0 320.396 3.005 10 30 DGEERN C=C(C)C[C@H](NCc1ccsc1Br)C(=O)OC ZINC000602739610 400559252 /nfs/dbraw/zinc/55/92/52/400559252.db2.gz RKUWXLGLDWNGRD-JTQLQIEISA-N 0 0 318.236 3.108 10 30 DGEERN C=CCN(Cc1ccccc1F)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602765587 400567466 /nfs/dbraw/zinc/56/74/66/400567466.db2.gz WKEHWEYQYFXDFI-LBPRGKRZSA-N 0 0 318.348 3.350 10 30 DGEERN CC#Cc1nccnc1C1CN(c2ccc3ccccc3n2)C1 ZINC000140152055 400615618 /nfs/dbraw/zinc/61/56/18/400615618.db2.gz GAQZHMBWXRBJBS-UHFFFAOYSA-N 0 0 300.365 3.000 10 30 DGEERN C=CC1CCN(c2nnc([C@@]3(C)CCCO3)n2CC2CC2)CC1 ZINC000612941224 400629198 /nfs/dbraw/zinc/62/91/98/400629198.db2.gz OOSPTCFQQQJMMX-GOSISDBHSA-N 0 0 316.449 3.116 10 30 DGEERN C=CCC[C@H](NC(=O)CC1CCN(OC)CC1)c1ccccc1 ZINC000612708774 400590532 /nfs/dbraw/zinc/59/05/32/400590532.db2.gz RZADYUFRSLABJX-SFHVURJKSA-N 0 0 316.445 3.474 10 30 DGEERN C=CCN(CC=C)c1nnc(CCc2ccco2)n1CC1CC1 ZINC000612788963 400602910 /nfs/dbraw/zinc/60/29/10/400602910.db2.gz JPJPAXDPUWMMGA-UHFFFAOYSA-N 0 0 312.417 3.245 10 30 DGEERN C=CCCCN(C)c1nnc(CCc2ccco2)n1CC1CC1 ZINC000612788375 400603296 /nfs/dbraw/zinc/60/32/96/400603296.db2.gz AREXNBQGJHRQTI-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCOCCCNC(=O)c1csc(-c2ccccc2)n1 ZINC000618517439 400609218 /nfs/dbraw/zinc/60/92/18/400609218.db2.gz KXESESYZSFVQTO-UHFFFAOYSA-N 0 0 302.399 3.133 10 30 DGEERN C=CCOCCCNC(=O)CCSc1ccc(C)c(C)c1 ZINC000618517002 400609281 /nfs/dbraw/zinc/60/92/81/400609281.db2.gz HVFBBFLRMSXSAF-UHFFFAOYSA-N 0 0 307.459 3.495 10 30 DGEERN C=CCOCCCNC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000618523868 400610825 /nfs/dbraw/zinc/61/08/25/400610825.db2.gz SPCKHDAEUAPSPR-UHFFFAOYSA-N 0 0 318.200 3.081 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000618524603 400611531 /nfs/dbraw/zinc/61/15/31/400611531.db2.gz LFCKUMQVBUNPJL-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)c1c(C)onc1-c1ccccc1C ZINC000618524595 400611873 /nfs/dbraw/zinc/61/18/73/400611873.db2.gz KVLVGUHYFMEXSE-UHFFFAOYSA-N 0 0 314.385 3.281 10 30 DGEERN CC(=O)O/N=C(/Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000146852758 400650040 /nfs/dbraw/zinc/65/00/40/400650040.db2.gz FAZOJEPAXVOBJB-SDXDJHTJSA-N 0 0 316.288 3.244 10 30 DGEERN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C1CCCCC1 ZINC000076505160 400658347 /nfs/dbraw/zinc/65/83/47/400658347.db2.gz DKABVPXWMXLOCS-KGLIPLIRSA-N 0 0 300.402 3.411 10 30 DGEERN C=C1CCN(c2nnc(Cc3ccccc3O)n2CC2CC2)CC1 ZINC000613090062 400653196 /nfs/dbraw/zinc/65/31/96/400653196.db2.gz WKZNZACRLYZCAJ-UHFFFAOYSA-N 0 0 324.428 3.141 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCCCC1 ZINC000076550447 400661081 /nfs/dbraw/zinc/66/10/81/400661081.db2.gz XWUYRRWYPQKHGI-UHFFFAOYSA-N 0 0 315.417 3.049 10 30 DGEERN Cc1nc(C#N)n(CCOc2cccc(Br)c2)c1C ZINC000603350614 400672975 /nfs/dbraw/zinc/67/29/75/400672975.db2.gz BNOCVHFRYOSANM-UHFFFAOYSA-N 0 0 320.190 3.213 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000618714109 400673586 /nfs/dbraw/zinc/67/35/86/400673586.db2.gz SSTUHRZWGJJUKY-DYVFJYSZSA-N 0 0 303.427 3.073 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]2C#N)C12CCCC2 ZINC000613166447 400666422 /nfs/dbraw/zinc/66/64/22/400666422.db2.gz SCMWZNLXQUZMTP-LVQVYYBASA-N 0 0 319.449 3.058 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@H]2C#N)C12CCCC2 ZINC000613166449 400666598 /nfs/dbraw/zinc/66/65/98/400666598.db2.gz SCMWZNLXQUZMTP-YHUYYLMFSA-N 0 0 319.449 3.058 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000613270908 400686811 /nfs/dbraw/zinc/68/68/11/400686811.db2.gz FHAFSULMXLKYAM-DJIMGWMZSA-N 0 0 303.402 3.004 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000618941495 400723323 /nfs/dbraw/zinc/72/33/23/400723323.db2.gz VTHMMWIEMHIHCT-IRXDYDNUSA-N 0 0 301.434 3.016 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000077185956 400692420 /nfs/dbraw/zinc/69/24/20/400692420.db2.gz LRRORBBYEAOVQM-UHFFFAOYSA-N 0 0 301.390 3.026 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NCc1cscn1 ZINC000051751254 400707237 /nfs/dbraw/zinc/70/72/37/400707237.db2.gz NGNMXJSBIKUGAS-UHFFFAOYSA-N 0 0 305.378 3.180 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC1CCC2(CC2(F)F)CC1)OCC ZINC000619228935 400804750 /nfs/dbraw/zinc/80/47/50/400804750.db2.gz DYYCOZMTNWLHHX-JVWICGRDSA-N 0 0 301.377 3.442 10 30 DGEERN C=C(Br)CNc1ccc(N)cc1Br ZINC000168183597 400756491 /nfs/dbraw/zinc/75/64/91/400756491.db2.gz GJMLLKAEXNSXRO-UHFFFAOYSA-N 0 0 306.001 3.352 10 30 DGEERN C=CCC1(NC(=O)c2ccc(CNC(C)=O)s2)CCCC1 ZINC000619103813 400768362 /nfs/dbraw/zinc/76/83/62/400768362.db2.gz DRPLYCZXBKXWRF-UHFFFAOYSA-N 0 0 306.431 3.003 10 30 DGEERN C[C@H]1C[C@@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000171052153 400783773 /nfs/dbraw/zinc/78/37/73/400783773.db2.gz IPFIHGNERYPPCD-UGSOOPFHSA-N 0 0 306.365 3.275 10 30 DGEERN N#Cc1ccc(OC(F)F)c(NC(=O)Cc2ccccc2)c1 ZINC000171086837 400785377 /nfs/dbraw/zinc/78/53/77/400785377.db2.gz SPISNZMOQDYPHL-UHFFFAOYSA-N 0 0 302.280 3.341 10 30 DGEERN C=CCCN(C)C(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC000613842676 400800533 /nfs/dbraw/zinc/80/05/33/400800533.db2.gz RXMWKDISKWZHFX-UHFFFAOYSA-N 0 0 305.328 3.458 10 30 DGEERN COc1ccc2cc(C(=O)NCC3CCC(C#N)CC3)[nH]c2c1 ZINC000619674612 400882428 /nfs/dbraw/zinc/88/24/28/400882428.db2.gz CDPSIORQZBVUMD-UHFFFAOYSA-N 0 0 311.385 3.236 10 30 DGEERN C=CC[C@H]1N(C(=O)[C@@H]2CCc3nc[nH]c3C2)CCCC1(C)C ZINC000614054930 400831927 /nfs/dbraw/zinc/83/19/27/400831927.db2.gz IACIMMUFEZCNJH-CZUORRHYSA-N 0 0 301.434 3.108 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000614140878 400842572 /nfs/dbraw/zinc/84/25/72/400842572.db2.gz ZWCHKARZKWZHAQ-QGZVFWFLSA-N 0 0 300.402 3.364 10 30 DGEERN N#Cc1cnccc1N1Cc2cccc(Br)c2C1 ZINC000614149679 400844452 /nfs/dbraw/zinc/84/44/52/400844452.db2.gz UJODESIGHXDIAZ-UHFFFAOYSA-N 0 0 300.159 3.236 10 30 DGEERN C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000619438724 400848891 /nfs/dbraw/zinc/84/88/91/400848891.db2.gz HPCUKLVMEYXUFC-CQSZACIVSA-N 0 0 307.397 3.416 10 30 DGEERN N#Cc1ccc(CNCc2c[nH]c(-c3ccccc3)n2)c(F)c1 ZINC000175992900 400869506 /nfs/dbraw/zinc/86/95/06/400869506.db2.gz TYQUIPAZWZRAPR-UHFFFAOYSA-N 0 0 306.344 3.377 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCc3c(CC#N)cccc3C2)c1 ZINC000624746666 400937525 /nfs/dbraw/zinc/93/75/25/400937525.db2.gz MQTCHOFBQSTMNO-UHFFFAOYSA-N 0 0 315.376 3.390 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC(c2ccncn2)CC1 ZINC000633410060 400938360 /nfs/dbraw/zinc/93/83/60/400938360.db2.gz BUUUSVKQXIWLFO-UHFFFAOYSA-N 0 0 316.449 3.358 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H]1c1nc(C)no1 ZINC000633411230 400939436 /nfs/dbraw/zinc/93/94/36/400939436.db2.gz LFEOKFXLINNXFP-ZDUSSCGKSA-N 0 0 306.410 3.217 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000633411481 400939478 /nfs/dbraw/zinc/93/94/78/400939478.db2.gz TVLRJJKPWBAIKK-QGZVFWFLSA-N 0 0 318.461 3.444 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000633411066 400940353 /nfs/dbraw/zinc/94/03/53/400940353.db2.gz IFFDYPTWQORWSE-AWEZNQCLSA-N 0 0 304.438 3.291 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000633410119 400940450 /nfs/dbraw/zinc/94/04/50/400940450.db2.gz DOYQIUDBRNIWMO-HNNXBMFYSA-N 0 0 324.465 3.006 10 30 DGEERN C=C(CNC(=O)C1(C(F)(F)F)CCOCC1)c1ccccc1 ZINC000614866795 400954943 /nfs/dbraw/zinc/95/49/43/400954943.db2.gz DSRQJTUZPJEKTA-UHFFFAOYSA-N 0 0 313.319 3.175 10 30 DGEERN Fc1c(F)c(F)c(C#CI)c(F)c1F ZINC000215632081 400947744 /nfs/dbraw/zinc/94/77/44/400947744.db2.gz LILPWOISFNNNKJ-UHFFFAOYSA-N 0 0 317.982 3.126 10 30 DGEERN Cc1ccccc1[C@@]1(F)CCN(c2nnc(C)c(C)c2C#N)C1 ZINC000619704549 400892248 /nfs/dbraw/zinc/89/22/48/400892248.db2.gz JGQKVMDRCWMYJI-GOSISDBHSA-N 0 0 310.376 3.349 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000614396586 400892585 /nfs/dbraw/zinc/89/25/85/400892585.db2.gz NVHJDXJSHZNMRK-CYBMUJFWSA-N 0 0 300.402 3.025 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000614400324 400893742 /nfs/dbraw/zinc/89/37/42/400893742.db2.gz YTMVCSDGJWZJBZ-LRDDRELGSA-N 0 0 320.458 3.057 10 30 DGEERN C[C@@H](C#N)CNC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000182699398 400896759 /nfs/dbraw/zinc/89/67/59/400896759.db2.gz XAHRQXRHGIAEJW-UONOGXRCSA-N 0 0 308.385 3.268 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000182843734 400898440 /nfs/dbraw/zinc/89/84/40/400898440.db2.gz YLXFIVUAGPYLJR-HUUCEWRRSA-N 0 0 308.809 3.027 10 30 DGEERN C=CC[C@H](CO)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC000183566804 400900883 /nfs/dbraw/zinc/90/08/83/400900883.db2.gz 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307.401 3.054 10 30 DGEERN C=CCN(C(=O)c1ccc(C2CCOCC2)cc1)[C@@H](C)COC ZINC000633611978 401023444 /nfs/dbraw/zinc/02/34/44/401023444.db2.gz GQGIBEOSOGQXQB-HNNXBMFYSA-N 0 0 317.429 3.244 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)c1ccccc1 ZINC000625077400 401024970 /nfs/dbraw/zinc/02/49/70/401024970.db2.gz HLJOUVJYFLKSOU-HZPDHXFCSA-N 0 0 323.458 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000620270803 401036594 /nfs/dbraw/zinc/03/65/94/401036594.db2.gz ABKMKDNARMEEHN-RDBSUJKOSA-N 0 0 309.312 3.003 10 30 DGEERN C=CCCn1cc(CSCCOc2cccc(C)c2)nn1 ZINC000594552747 401107835 /nfs/dbraw/zinc/10/78/35/401107835.db2.gz JMWMHOLEKCSNGQ-UHFFFAOYSA-N 0 0 303.431 3.475 10 30 DGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000625353325 401107876 /nfs/dbraw/zinc/10/78/76/401107876.db2.gz CNDGCWIUMQQJFP-SNVBAGLBSA-N 0 0 303.786 3.066 10 30 DGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(C)ccc3ncccc32)C1 ZINC000625349724 401108427 /nfs/dbraw/zinc/10/84/27/401108427.db2.gz 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C=CCCCCCNC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000624306870 401648790 /nfs/dbraw/zinc/64/87/90/401648790.db2.gz SBOINKPABPFXIZ-VXGBXAGGSA-N 0 0 308.344 3.094 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)CCc1ccccc1 ZINC000624241326 401643151 /nfs/dbraw/zinc/64/31/51/401643151.db2.gz GADSAOVQZKISKV-KSZLIROESA-N 0 0 316.445 3.288 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@H](C)C1CCCCC1 ZINC000624241387 401643237 /nfs/dbraw/zinc/64/32/37/401643237.db2.gz HWRQQHDBMQCHLJ-XIRDDKMYSA-N 0 0 308.466 3.435 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000624256901 401644234 /nfs/dbraw/zinc/64/42/34/401644234.db2.gz MANMMYNVTNGTLL-SJORKVTESA-N 0 0 322.412 3.142 10 30 DGEERN C=CCOc1cccnc1C(=O)NCC(C)(C)C(F)(F)CC ZINC000628882063 401645206 /nfs/dbraw/zinc/64/52/06/401645206.db2.gz ZHRFDFQXOOQHMK-UHFFFAOYSA-N 0 0 312.360 3.448 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(OCCCOC)c(OC)c2)C1 ZINC000633018303 401646006 /nfs/dbraw/zinc/64/60/06/401646006.db2.gz YGFBBIVVTRBMIP-UHFFFAOYSA-N 0 0 319.401 3.405 10 30 DGEERN C=C1CC(C)(C(=O)NCCNc2cccc(Br)c2)C1 ZINC000632335430 401601674 /nfs/dbraw/zinc/60/16/74/401601674.db2.gz JEXNTKPOFUCPHT-UHFFFAOYSA-N 0 0 323.234 3.334 10 30 DGEERN C=CCOCCNC(=O)c1cc2cccc(Cl)c2nc1C ZINC000632358959 401603098 /nfs/dbraw/zinc/60/30/98/401603098.db2.gz CIQXSYKPYSXPIL-UHFFFAOYSA-N 0 0 304.777 3.129 10 30 DGEERN C=CC[C@@H](C)NC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633020735 401646342 /nfs/dbraw/zinc/64/63/42/401646342.db2.gz SGXRMRLTHUSNIP-MFKMUULPSA-N 0 0 316.323 3.003 10 30 DGEERN C=CCCCNC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000623963512 401606047 /nfs/dbraw/zinc/60/60/47/401606047.db2.gz JCRAFMDCECPJRA-AWEZNQCLSA-N 0 0 306.381 3.299 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 ZINC000628484947 401606280 /nfs/dbraw/zinc/60/62/80/401606280.db2.gz YQEAVTCBBJTYSY-LBPRGKRZSA-N 0 0 317.414 3.155 10 30 DGEERN C=CCc1cc(C(=O)N2CC[C@@H](CC=C)C2)cc(OC)c1OC ZINC000628484781 401606348 /nfs/dbraw/zinc/60/63/48/401606348.db2.gz 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401607597 /nfs/dbraw/zinc/60/75/97/401607597.db2.gz SREFWCSPMOPQNR-CYBMUJFWSA-N 0 0 323.820 3.403 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2sccc2Br)C1 ZINC000628492851 401607800 /nfs/dbraw/zinc/60/78/00/401607800.db2.gz DAARCLYPNLWLPP-JTQLQIEISA-N 0 0 314.248 3.478 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000628493216 401608188 /nfs/dbraw/zinc/60/81/88/401608188.db2.gz LLKGBEDHWLIYTK-UPJWGTAASA-N 0 0 305.340 3.159 10 30 DGEERN C=C(C)CN(CC)C(=O)c1cc(C)n([C@H]2CCCOC2)c1C ZINC000623990209 401609735 /nfs/dbraw/zinc/60/97/35/401609735.db2.gz XFVWLHRBZFZCMS-INIZCTEOSA-N 0 0 304.434 3.495 10 30 DGEERN C=CCCOCC(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000628530375 401611522 /nfs/dbraw/zinc/61/15/22/401611522.db2.gz XJGAOVLKPGLHCN-UHFFFAOYSA-N 0 0 304.415 3.240 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000624315064 401649707 /nfs/dbraw/zinc/64/97/07/401649707.db2.gz VHNUQJBFIGPLDR-FRRDWIJNSA-N 0 0 320.355 3.094 10 30 DGEERN C=CC(C)(C)C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629009506 401656696 /nfs/dbraw/zinc/65/66/96/401656696.db2.gz YQFQFSLNLNNXQG-UHFFFAOYSA-N 0 0 317.433 3.330 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1c(C2CCC2)cnn1C ZINC000624379104 401656948 /nfs/dbraw/zinc/65/69/48/401656948.db2.gz ZPDAOWSQJBLQTH-UHFFFAOYSA-N 0 0 304.438 3.089 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1csc(C)c1C ZINC000633208281 401660597 /nfs/dbraw/zinc/66/05/97/401660597.db2.gz YDRLRYGWSXDNCK-UKRRQHHQSA-N 0 0 308.447 3.145 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000624460315 401662478 /nfs/dbraw/zinc/66/24/78/401662478.db2.gz RMSRARGHASPMIH-NWDGAFQWSA-N 0 0 322.371 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000624464187 401662667 /nfs/dbraw/zinc/66/26/67/401662667.db2.gz OZBHJQTUSVGUQM-HNNXBMFYSA-N 0 0 318.465 3.223 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC(C)(c2nc(C)no2)CC1 ZINC000624463992 401662762 /nfs/dbraw/zinc/66/27/62/401662762.db2.gz HXJFRLKCQPCADZ-UHFFFAOYSA-N 0 0 320.437 3.043 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000624465428 401662880 /nfs/dbraw/zinc/66/28/80/401662880.db2.gz PZCWRILBQCOZSJ-AWEZNQCLSA-N 0 0 306.406 3.273 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000624468293 401663105 /nfs/dbraw/zinc/66/31/05/401663105.db2.gz HQPUZJAGALYZSW-GFCCVEGCSA-N 0 0 322.371 3.342 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCC(=O)Nc1c(C)cccc1C ZINC000624470272 401663405 /nfs/dbraw/zinc/66/34/05/401663405.db2.gz XTQNWQLJLTUALX-UHFFFAOYSA-N 0 0 317.433 3.143 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCn2nccc21 ZINC000633344610 401674390 /nfs/dbraw/zinc/67/43/90/401674390.db2.gz YJTSHCPWUMZJJA-ILXRZTDVSA-N 0 0 302.422 3.152 10 30 DGEERN C=CCOCCCNC(=O)NCc1ccsc1C(F)(F)F ZINC000633352163 401675166 /nfs/dbraw/zinc/67/51/66/401675166.db2.gz MQEXUMRGRJXVTM-UHFFFAOYSA-N 0 0 322.352 3.159 10 30 DGEERN C=CCCc1ccccc1NS(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000629298476 401677904 /nfs/dbraw/zinc/67/79/04/401677904.db2.gz 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/nfs/dbraw/zinc/11/51/68/165115168.db2.gz TZDDLTNPNGHHCY-UHFFFAOYSA-N 0 0 314.272 3.387 10 30 DGEERN COc1ccc(N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)cc1F ZINC000188406751 165123612 /nfs/dbraw/zinc/12/36/12/165123612.db2.gz UDEYGJJQZLOJCS-UHFFFAOYSA-N 0 0 324.355 3.401 10 30 DGEERN C[C@H](Cc1ccccc1F)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188720634 165134138 /nfs/dbraw/zinc/13/41/38/165134138.db2.gz JKEGPLMIYKGQBW-CQSZACIVSA-N 0 0 322.383 3.476 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000188758656 165136418 /nfs/dbraw/zinc/13/64/18/165136418.db2.gz JXVOMPRAPPEZED-UHFFFAOYSA-N 0 0 301.321 3.445 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000189227867 165154472 /nfs/dbraw/zinc/15/44/72/165154472.db2.gz IKKHLCVQRCJSPU-UHFFFAOYSA-N 0 0 319.368 3.285 10 30 DGEERN COc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1F ZINC000189419131 165160988 /nfs/dbraw/zinc/16/09/88/165160988.db2.gz MXMWKTGZVRZHAQ-LLVKDONJSA-N 0 0 314.316 3.112 10 30 DGEERN COc1ccc(NC(C)=O)c(NCc2ccc(C#N)c(F)c2)c1 ZINC000190353688 165199536 /nfs/dbraw/zinc/19/95/36/165199536.db2.gz ROOJOELOOUFIGI-UHFFFAOYSA-N 0 0 313.332 3.276 10 30 DGEERN COC(=O)[C@H](NCc1ccc(C2CC2)cc1)c1cccc(C#N)c1 ZINC000190803517 165217032 /nfs/dbraw/zinc/21/70/32/165217032.db2.gz MTJQOISLTTYOEP-LJQANCHMSA-N 0 0 320.392 3.440 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)Cc2ccccc2Cl)cc1F ZINC000190886033 165218725 /nfs/dbraw/zinc/21/87/25/165218725.db2.gz SWXDEXIZMGKJAE-UHFFFAOYSA-N 0 0 323.776 3.466 10 30 DGEERN CO[C@@H](C)c1noc(CSCc2ccc(C#N)c(F)c2)n1 ZINC000190964619 165222129 /nfs/dbraw/zinc/22/21/29/165222129.db2.gz XEOKDKMIQIAHIG-VIFPVBQESA-N 0 0 307.350 3.221 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)c2ccc3c(c2)CCC3)cc1F ZINC000191020580 165226413 /nfs/dbraw/zinc/22/64/13/165226413.db2.gz AQCFRLOYSRCMOS-UHFFFAOYSA-N 0 0 315.369 3.160 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2)ccn1 ZINC000192543556 165296589 /nfs/dbraw/zinc/29/65/89/165296589.db2.gz DTJNCLQUVXOTIE-UHFFFAOYSA-N 0 0 317.348 3.389 10 30 DGEERN CN(Cc1cccc2ccccc21)C(=O)c1ccnc(C#N)c1 ZINC000192570982 165296930 /nfs/dbraw/zinc/29/69/30/165296930.db2.gz BHHFQWGBRRSHOJ-UHFFFAOYSA-N 0 0 301.349 3.379 10 30 DGEERN N#Cc1cc(C(=O)NCCc2cccc3ccccc32)ccn1 ZINC000192676637 165300536 /nfs/dbraw/zinc/30/05/36/165300536.db2.gz LCLKQZIKTRGQMB-UHFFFAOYSA-N 0 0 301.349 3.079 10 30 DGEERN CCCC(=O)Nc1cccc(NC(=O)c2ccnc(C#N)c2)c1C ZINC000192901725 165310585 /nfs/dbraw/zinc/31/05/85/165310585.db2.gz QKFWXOXGMPDXJV-UHFFFAOYSA-N 0 0 322.368 3.253 10 30 DGEERN CC(C)(C)c1ccccc1OCCNC(=O)c1ccnc(C#N)c1 ZINC000193203953 165320645 /nfs/dbraw/zinc/32/06/45/165320645.db2.gz SINZMLLJDOAMQW-UHFFFAOYSA-N 0 0 323.396 3.060 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000193323064 165322796 /nfs/dbraw/zinc/32/27/96/165322796.db2.gz JKYJDICKCDNPJM-LBPRGKRZSA-N 0 0 318.336 3.099 10 30 DGEERN N#Cc1cc(C(=O)Nc2cnccc2-c2cccc(F)c2)ccn1 ZINC000193483162 165326859 /nfs/dbraw/zinc/32/68/59/165326859.db2.gz OGUVCEISUUQFIR-UHFFFAOYSA-N 0 0 318.311 3.407 10 30 DGEERN Cc1coc(-c2cc(NC(=O)c3ccnc(C#N)c3)ccc2C)n1 ZINC000193565986 165328640 /nfs/dbraw/zinc/32/86/40/165328640.db2.gz ZLLAURJBCBKIRX-UHFFFAOYSA-N 0 0 318.336 3.477 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)n1 ZINC000194224849 165341506 /nfs/dbraw/zinc/34/15/06/165341506.db2.gz MYQIPLPVRNEAPX-NSHDSACASA-N 0 0 302.765 3.225 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182108641 432159069 /nfs/dbraw/zinc/15/90/69/432159069.db2.gz NBBQTJFRRZKJLD-ACJLOTCBSA-N 0 0 305.381 3.485 10 30 DGEERN Cc1ccc(C(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)s1 ZINC000129428300 196047863 /nfs/dbraw/zinc/04/78/63/196047863.db2.gz UJYHPMAWUXSNGJ-UHFFFAOYSA-N 0 0 322.393 3.378 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000171723276 432165616 /nfs/dbraw/zinc/16/56/16/432165616.db2.gz UHVWKEOQZMOXQB-KRWDZBQOSA-N 0 0 316.364 3.057 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190513145 432167082 /nfs/dbraw/zinc/16/70/82/432167082.db2.gz CYXHNYQOVYLNAJ-PBHICJAKSA-N 0 0 300.402 3.110 10 30 DGEERN N#Cc1ccc(C[S@](=O)Cc2csc(C3CC3)n2)cc1F ZINC000190841367 432194486 /nfs/dbraw/zinc/19/44/86/432194486.db2.gz SOUPOMYCUKRMBH-NRFANRHFSA-N 0 0 320.414 3.480 10 30 DGEERN N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCCOC1 ZINC000182779320 432227571 /nfs/dbraw/zinc/22/75/71/432227571.db2.gz OQRHLQCAYZQIDJ-OAHLLOKOSA-N 0 0 322.364 3.259 10 30 DGEERN C=CCOc1ccccc1C(=O)N(CC)CCc1nccs1 ZINC000131431366 196168060 /nfs/dbraw/zinc/16/80/60/196168060.db2.gz NSVZWVINFWJYSQ-UHFFFAOYSA-N 0 0 316.426 3.413 10 30 DGEERN CCn1c(NC(=O)CSC(C)(C)C)nc2cc(C#N)ccc21 ZINC000132044718 196220949 /nfs/dbraw/zinc/22/09/49/196220949.db2.gz FJERGEITOGVRFO-UHFFFAOYSA-N 0 0 316.430 3.398 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000133424369 196330201 /nfs/dbraw/zinc/33/02/01/196330201.db2.gz IRUGTIGHXFMWTK-OTWHNJEPSA-N 0 0 302.377 3.182 10 30 DGEERN COc1ccc(CSCC(=O)N(C(C)C)C(C)C)cc1C#N ZINC000135326960 196464923 /nfs/dbraw/zinc/46/49/23/196464923.db2.gz SKCOEUSRSAYCHV-UHFFFAOYSA-N 0 0 320.458 3.445 10 30 DGEERN CCC(C)(C)NC(=O)[C@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135333523 196465361 /nfs/dbraw/zinc/46/53/61/196465361.db2.gz YBKBONPGRAJJEF-LBPRGKRZSA-N 0 0 320.458 3.493 10 30 DGEERN C[C@@H]1CCC[C@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000330212066 287430900 /nfs/dbraw/zinc/43/09/00/287430900.db2.gz DKHJQZYSIFWEKM-OCCSQVGLSA-N 0 0 303.406 3.028 10 30 DGEERN Cc1cc(OCCCC(=O)N[C@H](C#N)C2CC2)ccc1Cl ZINC000108843562 226914684 /nfs/dbraw/zinc/91/46/84/226914684.db2.gz QVWHRMBBNXNNFO-OAHLLOKOSA-N 0 0 306.793 3.226 10 30 DGEERN O[C@@H](CN[C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000122136682 226973359 /nfs/dbraw/zinc/97/33/59/226973359.db2.gz QUPPWMCQYYYTHC-IONNQARKSA-N 0 0 323.183 3.081 10 30 DGEERN Cc1csc([C@@H]2CN(CC#Cc3ccc(F)cc3)CCO2)n1 ZINC000157941716 228235607 /nfs/dbraw/zinc/23/56/07/228235607.db2.gz HCBULLCEYVHCNB-INIZCTEOSA-N 0 0 316.401 3.016 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000159834721 228243901 /nfs/dbraw/zinc/24/39/01/228243901.db2.gz ROPRIGBMZCQPRK-UHFFFAOYSA-N 0 0 319.364 3.246 10 30 DGEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NCCCCC#N)C2)cc1 ZINC000172375156 228276106 /nfs/dbraw/zinc/27/61/06/228276106.db2.gz FRRXLEKXPLNGQF-GOEBONIOSA-N 0 0 315.417 3.276 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCc2cccc(Br)c2C1 ZINC000172418848 228276240 /nfs/dbraw/zinc/27/62/40/228276240.db2.gz BODBZLWJWIIWPM-LBPRGKRZSA-N 0 0 318.218 3.251 10 30 DGEERN N#CCN(C(=O)c1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000172810403 228277464 /nfs/dbraw/zinc/27/74/64/228277464.db2.gz HVYVYOBYMHRPCE-UHFFFAOYSA-N 0 0 320.377 3.375 10 30 DGEERN N#CC1(NC(=O)c2ccc(F)c(Br)c2)CCCC1 ZINC000173078354 228278705 /nfs/dbraw/zinc/27/87/05/228278705.db2.gz MQRFQBZBVRQYIA-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(CC#N)cc2)s1 ZINC000175391605 228300072 /nfs/dbraw/zinc/30/00/72/228300072.db2.gz ALPBRJZCBUAANJ-NSHDSACASA-N 0 0 315.398 3.477 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(CC(F)(F)F)c1ccccc1 ZINC000177205167 228328221 /nfs/dbraw/zinc/32/82/21/228328221.db2.gz AQWPEBMOGVREIX-UHFFFAOYSA-N 0 0 307.275 3.106 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1SCCC#N ZINC000177275409 228328784 /nfs/dbraw/zinc/32/87/84/228328784.db2.gz AJKDKRDKWXQSDW-UHFFFAOYSA-N 0 0 310.382 3.155 10 30 DGEERN CO[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000179788790 228353508 /nfs/dbraw/zinc/35/35/08/228353508.db2.gz FKGQXNITRZTNNZ-SFHVURJKSA-N 0 0 320.392 3.359 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000187666372 228436340 /nfs/dbraw/zinc/43/63/40/228436340.db2.gz JMMYIIMNIQLHCG-UHFFFAOYSA-N 0 0 304.349 3.163 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000189113075 228476473 /nfs/dbraw/zinc/47/64/73/228476473.db2.gz RZCXSDPHHUZXAY-AWEZNQCLSA-N 0 0 303.406 3.384 10 30 DGEERN Cn1c(NC(=O)c2sccc2C#N)nc2cc(Cl)ccc21 ZINC000052033407 292632422 /nfs/dbraw/zinc/63/24/22/292632422.db2.gz SIJDYAFHONFCBS-UHFFFAOYSA-N 0 0 316.773 3.412 10 30 DGEERN Cc1cc(C(=O)N(CC#N)c2ccccc2)nn1-c1ccccc1 ZINC000195118060 228606094 /nfs/dbraw/zinc/60/60/94/228606094.db2.gz LNCHPRBWXMEHAG-UHFFFAOYSA-N 0 0 316.364 3.351 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC23CCCCC3)cn1 ZINC000328617688 228904666 /nfs/dbraw/zinc/90/46/66/228904666.db2.gz CZVPVMGDBNICDV-SOUVJXGZSA-N 0 0 303.406 3.177 10 30 DGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)C1CCC(=O)CC1 ZINC000328637170 228906174 /nfs/dbraw/zinc/90/61/74/228906174.db2.gz AQCGNSOIVARXSA-JKSUJKDBSA-N 0 0 302.374 3.018 10 30 DGEERN Cn1cc(C(=O)NCc2ccccc2Cl)c([C@H]2CCOC2)n1 ZINC000328635454 228906395 /nfs/dbraw/zinc/90/63/95/228906395.db2.gz UTROEJJWUHBFPH-LBPRGKRZSA-N 0 0 319.792 3.082 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CCC1CCCC1 ZINC000328969039 228924699 /nfs/dbraw/zinc/92/46/99/228924699.db2.gz UIROKFQOOYRQIZ-WMLDXEAASA-N 0 0 305.422 3.425 10 30 DGEERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC000330001352 228971688 /nfs/dbraw/zinc/97/16/88/228971688.db2.gz AEUQVQYMWRJVND-DGCLKSJQSA-N 0 0 300.362 3.156 10 30 DGEERN Cn1ncc(C(=O)N[C@@H]2CCCc3c(O)cccc32)c1C1CC1 ZINC000330079992 228975237 /nfs/dbraw/zinc/97/52/37/228975237.db2.gz OTEDPRUCOFSUED-OAHLLOKOSA-N 0 0 311.385 3.385 10 30 DGEERN Cc1cnc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)o1 ZINC000330106588 228976476 /nfs/dbraw/zinc/97/64/76/228976476.db2.gz LCMHPJWVGIDSSH-KWCYVHTRSA-N 0 0 301.346 3.173 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC(C2CC2)C2CC2)cn1 ZINC000330290946 228987049 /nfs/dbraw/zinc/98/70/49/228987049.db2.gz GEZMXHBDWQEEJU-GOEBONIOSA-N 0 0 303.406 3.126 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CSCc1cccc(Cl)c1 ZINC000359691317 229382599 /nfs/dbraw/zinc/38/25/99/229382599.db2.gz YTAAPKOVFAXDTP-GXTWGEPZSA-N 0 0 308.834 3.382 10 30 DGEERN N#C[C@H]1CCC[C@H]1NC(=O)CSCc1cccc(Cl)c1 ZINC000359691320 229383000 /nfs/dbraw/zinc/38/30/00/229383000.db2.gz YTAAPKOVFAXDTP-TZMCWYRMSA-N 0 0 308.834 3.382 10 30 DGEERN Cc1ccc(NC[C@H](O)c2cccc(C(F)(F)F)c2)nc1C#N ZINC000302636898 230326649 /nfs/dbraw/zinc/32/66/49/230326649.db2.gz KJYDUNHVPILQAD-AWEZNQCLSA-N 0 0 321.302 3.426 10 30 DGEERN COc1ccccc1N1CCC[C@@H](Nc2ccc(C)c(C#N)n2)C1 ZINC000302677014 230344617 /nfs/dbraw/zinc/34/46/17/230344617.db2.gz UVZJIKQSBOLIPV-OAHLLOKOSA-N 0 0 322.412 3.351 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000106633588 269795403 /nfs/dbraw/zinc/79/54/03/269795403.db2.gz IBCIPLNBFAFZSR-ROUUACIJSA-N 0 0 306.365 3.333 10 30 DGEERN COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccnc(C#N)c1 ZINC000193154802 263788916 /nfs/dbraw/zinc/78/89/16/263788916.db2.gz QTOIZYMQLMNWAL-UHFFFAOYSA-N 0 0 323.352 3.116 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@H]2COc3ccccc3O2)c1 ZINC000347430322 264219543 /nfs/dbraw/zinc/21/95/43/264219543.db2.gz NOPJVGCDXXVBHB-HNNXBMFYSA-N 0 0 308.337 3.013 10 30 DGEERN Cc1cc(S(=O)(=O)N(C)c2cccc(C#N)c2)c(C)s1 ZINC000049065232 270003323 /nfs/dbraw/zinc/00/33/23/270003323.db2.gz DMBMUKOVJOLSGX-UHFFFAOYSA-N 0 0 306.412 3.062 10 30 DGEERN Cc1cnc(CSc2nc(C(F)(F)F)ccc2C#N)nc1 ZINC000361016326 270004536 /nfs/dbraw/zinc/00/45/36/270004536.db2.gz YQBMSLWLWQELBL-UHFFFAOYSA-N 0 0 310.304 3.363 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000534299377 270005180 /nfs/dbraw/zinc/00/51/80/270005180.db2.gz HTVLWWSPXCJZDB-UHFFFAOYSA-N 0 0 303.321 3.394 10 30 DGEERN N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1Cl ZINC000525967064 424831988 /nfs/dbraw/zinc/83/19/88/424831988.db2.gz NSNOMAUVOQURJT-ZDUSSCGKSA-N 0 0 316.748 3.039 10 30 DGEERN CCOc1ccc([C@@H]2CCCN2c2nc(C)cc(C#N)n2)cc1 ZINC000518809250 267171369 /nfs/dbraw/zinc/17/13/69/267171369.db2.gz LCSGGHWDKYUYNY-KRWDZBQOSA-N 0 0 308.385 3.397 10 30 DGEERN CCS[C@H]1CC[C@@H](N(C)C(=O)Cc2cccc(C#N)c2)C1 ZINC000531152676 267181645 /nfs/dbraw/zinc/18/16/45/267181645.db2.gz OOOKMYLIEMGFSV-CVEARBPZSA-N 0 0 302.443 3.233 10 30 DGEERN Cc1ccc(C)n1C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670061 268034297 /nfs/dbraw/zinc/03/42/97/268034297.db2.gz HDLHPXQBZUXEER-UHFFFAOYSA-N 0 0 321.424 3.383 10 30 DGEERN Cc1cccc2c(CCNC(=O)Cc3cccc(C#N)c3)c[nH]c21 ZINC000530914835 268057838 /nfs/dbraw/zinc/05/78/38/268057838.db2.gz HBDRKJFECBBMDH-UHFFFAOYSA-N 0 0 317.392 3.249 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000530675941 268276661 /nfs/dbraw/zinc/27/66/61/268276661.db2.gz FPMMZTHFOQQTBV-AZUAARDMSA-N 0 0 320.392 3.137 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000376209031 268303760 /nfs/dbraw/zinc/30/37/60/268303760.db2.gz UNESDMGAWGKHIP-UHFFFAOYSA-N 0 0 319.411 3.223 10 30 DGEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1c1ccco1 ZINC000247555817 432240871 /nfs/dbraw/zinc/24/08/71/432240871.db2.gz TYOJTQSOYYKJRU-CJNGLKHVSA-N 0 0 309.369 3.315 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)CCc1ccc(C#N)cc1 ZINC000172966764 432248876 /nfs/dbraw/zinc/24/88/76/432248876.db2.gz DBQPAPKUTIQAND-INIZCTEOSA-N 0 0 322.408 3.212 10 30 DGEERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000183620346 273759976 /nfs/dbraw/zinc/75/99/76/273759976.db2.gz FNWIXMDQTLYVGN-SFHVURJKSA-N 0 0 319.408 3.299 10 30 DGEERN N#Cc1cc(NC(=O)NCc2ccc(Cl)cn2)ccc1F ZINC000183097200 432258150 /nfs/dbraw/zinc/25/81/50/432258150.db2.gz HGIBOWQLQJFJHP-UHFFFAOYSA-N 0 0 304.712 3.067 10 30 DGEERN C#Cc1ccc(CNC(=O)N(CC)[C@@H](C)c2cccnc2)cc1 ZINC000297067949 275387808 /nfs/dbraw/zinc/38/78/08/275387808.db2.gz YUJUIBUFUFITES-HNNXBMFYSA-N 0 0 307.397 3.356 10 30 DGEERN CC1(C#N)CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000367904764 275805064 /nfs/dbraw/zinc/80/50/64/275805064.db2.gz XLDZCZJDDPHHIR-OAHLLOKOSA-N 0 0 317.820 3.071 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(c1c(F)cc(C#N)cc1F)C2 ZINC000108952598 276066311 /nfs/dbraw/zinc/06/63/11/276066311.db2.gz NAOOWTANWJWASU-UHFFFAOYSA-N 0 0 316.355 3.256 10 30 DGEERN C=C(C)[C@H](Nc1nc(C)nc(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000475730265 429716000 /nfs/dbraw/zinc/71/60/00/429716000.db2.gz JBPSKGYQQYQLMB-AWEZNQCLSA-N 0 0 319.359 3.254 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000626446027 429949983 /nfs/dbraw/zinc/94/99/83/429949983.db2.gz ZBYRORBFXYCEMB-UHFFFAOYSA-N 0 0 322.356 3.367 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000626498383 429950471 /nfs/dbraw/zinc/95/04/71/429950471.db2.gz INTPJBNOCKVMQF-CYBMUJFWSA-N 0 0 303.410 3.213 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000278580423 276874863 /nfs/dbraw/zinc/87/48/63/276874863.db2.gz RTSZAVBNQLEJPR-BPLDGKMQSA-N 0 0 321.417 3.460 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000452121349 276919769 /nfs/dbraw/zinc/91/97/69/276919769.db2.gz MXQANKFPONOXHB-USWWRNFRSA-N 0 0 311.834 3.486 10 30 DGEERN CO[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@H]1C ZINC000190414013 277343682 /nfs/dbraw/zinc/34/36/82/277343682.db2.gz UXIKIPSDVKAIEN-OCCSQVGLSA-N 0 0 318.421 3.003 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000296480097 277774306 /nfs/dbraw/zinc/77/43/06/277774306.db2.gz YIRXTTMJIRGIPU-ZWKOTPCHSA-N 0 0 317.429 3.033 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000189734343 277780933 /nfs/dbraw/zinc/78/09/33/277780933.db2.gz NOCLCVPLABMOBV-HNNXBMFYSA-N 0 0 321.442 3.319 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC000368766915 277781408 /nfs/dbraw/zinc/78/14/08/277781408.db2.gz VKDODDFUMBCLHT-ZIAGYGMSSA-N 0 0 300.402 3.234 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CCOCC1 ZINC000424739826 277825630 /nfs/dbraw/zinc/82/56/30/277825630.db2.gz CCGWVSJXEUYZLS-CABCVRRESA-N 0 0 309.450 3.069 10 30 DGEERN C=CCc1cccc(C(C)C)c1NS(=O)(=O)C[C@H](C)OC ZINC000295987468 277892086 /nfs/dbraw/zinc/89/20/86/277892086.db2.gz OUGVZLQWLCBDPE-ZDUSSCGKSA-N 0 0 311.447 3.315 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC2(CCOCC2)[C@@H]1C ZINC000351120046 277894129 /nfs/dbraw/zinc/89/41/29/277894129.db2.gz VZBPYFPPCWDDSG-GJZGRUSLSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C1CC1 ZINC000351116191 277895181 /nfs/dbraw/zinc/89/51/81/277895181.db2.gz NRZHGISZDFIYGK-HUUCEWRRSA-N 0 0 318.465 3.371 10 30 DGEERN C=CCNc1ncc(C(=O)N2CCC[C@H](C3CCC3)C2)s1 ZINC000622179793 430609325 /nfs/dbraw/zinc/60/93/25/430609325.db2.gz NZLLJJGCSCFNKI-ZDUSSCGKSA-N 0 0 305.447 3.393 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C#N)CCCC1 ZINC000068738862 431139863 /nfs/dbraw/zinc/13/98/63/431139863.db2.gz XKLRBKNTNMKXRF-UHFFFAOYSA-N 0 0 313.357 3.193 10 30 DGEERN N#C[C@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C1CC1 ZINC000108829291 431157030 /nfs/dbraw/zinc/15/70/30/431157030.db2.gz MPZQMEGBFYCFOR-LBPRGKRZSA-N 0 0 313.184 3.181 10 30 DGEERN N#C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)C1CC1 ZINC000108834779 431157091 /nfs/dbraw/zinc/15/70/91/431157091.db2.gz JJEDJIUOXFRQPO-HNNXBMFYSA-N 0 0 309.369 3.083 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCCC[C@H]3C2)ccc1Cl ZINC000175671973 279506850 /nfs/dbraw/zinc/50/68/50/279506850.db2.gz SWYIIKQXHOVYPL-RYUDHWBXSA-N 0 0 324.833 3.022 10 30 DGEERN C=CCSCCNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113158513 431331761 /nfs/dbraw/zinc/33/17/61/431331761.db2.gz PWRYKXLRAUSALQ-UHFFFAOYSA-N 0 0 320.389 3.059 10 30 DGEERN Cc1cc(Br)ccc1NC(=O)c1ccc(C#N)nc1 ZINC000115004475 431421730 /nfs/dbraw/zinc/42/17/30/431421730.db2.gz QISVHVOWQYIEHF-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C=CCN(CC=C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000114723974 431407362 /nfs/dbraw/zinc/40/73/62/431407362.db2.gz WCHMQKQNJNHQKB-GOSISDBHSA-N 0 0 314.429 3.033 10 30 DGEERN Cc1sc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000116809521 431527513 /nfs/dbraw/zinc/52/75/13/431527513.db2.gz WDHKMKVIPSIBJX-XPTSAGLGSA-N 0 0 307.375 3.167 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000116811314 431529718 /nfs/dbraw/zinc/52/97/18/431529718.db2.gz CXGAZZAALRGWLT-BZNIZROVSA-N 0 0 301.346 3.106 10 30 DGEERN N#Cc1ccc(-c2nnc(CN3CCOc4ccccc43)o2)cc1 ZINC000075637746 431489501 /nfs/dbraw/zinc/48/95/01/431489501.db2.gz MIJLNWIHXHVJLX-UHFFFAOYSA-N 0 0 318.336 3.007 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(F)cc2nc(C)c(C)nc21 ZINC000076491948 431553520 /nfs/dbraw/zinc/55/35/20/431553520.db2.gz SWBZMLRRONWUBP-UHFFFAOYSA-N 0 0 301.365 3.424 10 30 DGEERN C=CCCCN(C)C(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000076485324 431554039 /nfs/dbraw/zinc/55/40/39/431554039.db2.gz FYZHCUXRKDHSEF-UHFFFAOYSA-N 0 0 303.402 3.160 10 30 DGEERN CCOc1cc(C#N)ccc1OC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117576278 431568710 /nfs/dbraw/zinc/56/87/10/431568710.db2.gz QJAGQWBENZOHQZ-KPZWWZAWSA-N 0 0 323.348 3.427 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000077443007 431597548 /nfs/dbraw/zinc/59/75/48/431597548.db2.gz WKTVZKBNZKBLIU-UHFFFAOYSA-N 0 0 321.396 3.092 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000077268617 431578993 /nfs/dbraw/zinc/57/89/93/431578993.db2.gz SCWMMKMATREPMW-UHFFFAOYSA-N 0 0 303.406 3.175 10 30 DGEERN C[C@@H](Sc1nnnn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000118171447 431590131 /nfs/dbraw/zinc/59/01/31/431590131.db2.gz UYLLVSAXDCCOIW-GFCCVEGCSA-N 0 0 307.382 3.387 10 30 DGEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 ZINC000078188341 431647399 /nfs/dbraw/zinc/64/73/99/431647399.db2.gz ISVQCSAMSMGRME-GOEBONIOSA-N 0 0 312.413 3.484 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187683 431648232 /nfs/dbraw/zinc/64/82/32/431648232.db2.gz QUYKTAVARCOGPS-UXLLHSPISA-N 0 0 317.429 3.381 10 30 DGEERN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1C#N ZINC000078752882 431705807 /nfs/dbraw/zinc/70/58/07/431705807.db2.gz GFCCCQAKJWSGQJ-GOSISDBHSA-N 0 0 319.364 3.296 10 30 DGEERN C=CCOc1ccc(CN(C)CC(=O)NC(C)(C)C)cc1Cl ZINC000120647671 431730892 /nfs/dbraw/zinc/73/08/92/431730892.db2.gz WWFRHBQCZSOELY-UHFFFAOYSA-N 0 0 324.852 3.251 10 30 DGEERN CCCCCCCCC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000121040171 431739068 /nfs/dbraw/zinc/73/90/68/431739068.db2.gz XCAKHWKNHPJUSM-AWEZNQCLSA-N 0 0 309.410 3.029 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121557669 431803855 /nfs/dbraw/zinc/80/38/55/431803855.db2.gz QPNMAYVZIADLCA-UKRRQHHQSA-N 0 0 303.402 3.386 10 30 DGEERN O[C@@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924478 431808426 /nfs/dbraw/zinc/80/84/26/431808426.db2.gz CQZFMAQTGWBIHM-ZJUUUORDSA-N 0 0 319.220 3.332 10 30 DGEERN COc1ccc(/C=N\NC(=S)Nc2ccc(C)cc2)cc1O ZINC000033319062 431812322 /nfs/dbraw/zinc/81/23/22/431812322.db2.gz PVESIFGDSASIKB-YVLHZVERSA-N 0 0 315.398 3.030 10 30 DGEERN CC[C@H](C#N)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000121352400 431775212 /nfs/dbraw/zinc/77/52/12/431775212.db2.gz PFNKKKQOUDZAIB-GXFFZTMASA-N 0 0 309.207 3.361 10 30 DGEERN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C#N)cn1C ZINC000080938660 431780154 /nfs/dbraw/zinc/78/01/54/431780154.db2.gz FMNBXPNDOYTQHY-UHFFFAOYSA-N 0 0 303.749 3.120 10 30 DGEERN CN(C(=O)c1cc(C#N)cn1C)[C@@H](c1ccccc1)C(F)(F)F ZINC000081154372 431786417 /nfs/dbraw/zinc/78/64/17/431786417.db2.gz LRDLSOGAPDVFDQ-AWEZNQCLSA-N 0 0 321.302 3.272 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088669012 431858878 /nfs/dbraw/zinc/85/88/78/431858878.db2.gz XMJTWUUNLNVURX-ZDUSSCGKSA-N 0 0 323.387 3.151 10 30 DGEERN CC(=O)Nc1cc(NCc2cnc3ccc(C#N)cn23)ccc1C ZINC000123396920 431864205 /nfs/dbraw/zinc/86/42/05/431864205.db2.gz MGFZEXGDDQWCIA-UHFFFAOYSA-N 0 0 319.368 3.085 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1cc(C#N)ccn1 ZINC000085333709 431839225 /nfs/dbraw/zinc/83/92/25/431839225.db2.gz DQZOHCOJCSGMQL-CYBMUJFWSA-N 0 0 319.430 3.445 10 30 DGEERN CC[C@H](C#N)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000123880251 431877307 /nfs/dbraw/zinc/87/73/07/431877307.db2.gz ZDMNPMWWWKDPJA-GFCCVEGCSA-N 0 0 309.207 3.145 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(COC)o1 ZINC000124442491 431894738 /nfs/dbraw/zinc/89/47/38/431894738.db2.gz HXXIWDZTLDNIIR-UHFFFAOYSA-N 0 0 315.369 3.263 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1ccccc1-n1ccc(C)n1 ZINC000124478823 431895655 /nfs/dbraw/zinc/89/56/55/431895655.db2.gz CMUYAKROHWDVIL-UHFFFAOYSA-N 0 0 312.417 3.017 10 30 DGEERN C=CCOc1ccccc1CNc1cccc(-c2nnnn2C)c1 ZINC000124528444 431897112 /nfs/dbraw/zinc/89/71/12/431897112.db2.gz JORICVQQNPCYPI-UHFFFAOYSA-N 0 0 321.384 3.054 10 30 DGEERN Cn1c(CSCc2ccc(F)cc2C#N)nnc1C1CC1 ZINC000091029591 431899509 /nfs/dbraw/zinc/89/95/09/431899509.db2.gz WIXKYLGKZIYQQJ-UHFFFAOYSA-N 0 0 302.378 3.137 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)C2CCOCC2)cc1 ZINC000091050679 431900354 /nfs/dbraw/zinc/90/03/54/431900354.db2.gz AQGRNLGTVJQGEC-UHFFFAOYSA-N 0 0 320.392 3.268 10 30 DGEERN N#Cc1cccc(C(=O)NCCCCOCc2ccccc2)c1 ZINC000050424234 431948386 /nfs/dbraw/zinc/94/83/86/431948386.db2.gz HBZSSKOAUGLYNE-UHFFFAOYSA-N 0 0 308.381 3.285 10 30 DGEERN COc1cc(/C=C\C(=O)c2ccc(O)cc2)cc2c1OCCO2 ZINC000096462908 431951953 /nfs/dbraw/zinc/95/19/53/431951953.db2.gz QHJYTICXCHYYEW-UQCOIBPSSA-N 0 0 312.321 3.068 10 30 DGEERN C=CCCCN(C)C(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000126927700 431961524 /nfs/dbraw/zinc/96/15/24/431961524.db2.gz RMOJNFRXGCTMEJ-UHFFFAOYSA-N 0 0 305.328 3.393 10 30 DGEERN N#Cc1ccc([C@@H](O)CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000127340606 431970304 /nfs/dbraw/zinc/97/03/04/431970304.db2.gz GPOTXNHQENVQQP-CVEARBPZSA-N 0 0 313.426 3.275 10 30 DGEERN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055555661 431983888 /nfs/dbraw/zinc/98/38/88/431983888.db2.gz SEQRGUPDJFXRGT-UHFFFAOYSA-N 0 0 324.764 3.460 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCc3cncnc3C1)CCC2 ZINC000330267568 281099835 /nfs/dbraw/zinc/09/98/35/281099835.db2.gz QQFLPRMQOVZSBY-QGZVFWFLSA-N 0 0 322.412 3.135 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H](C)C2 ZINC000189197475 281113837 /nfs/dbraw/zinc/11/38/37/281113837.db2.gz NPOYBUFSZQRNEX-KPZWWZAWSA-N 0 0 306.365 3.236 10 30 DGEERN CSc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000056944429 431989526 /nfs/dbraw/zinc/98/95/26/431989526.db2.gz ZORDAZFBMRWNGR-UHFFFAOYSA-N 0 0 311.410 3.280 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000183238311 432272534 /nfs/dbraw/zinc/27/25/34/432272534.db2.gz QVFFHRIKBDHKHB-UHFFFAOYSA-N 0 0 316.364 3.139 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCC[S@@](C)=O ZINC000191515044 432273439 /nfs/dbraw/zinc/27/34/39/432273439.db2.gz OMPBLCAMVRECQP-JOCHJYFZSA-N 0 0 322.474 3.429 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000248496006 432295593 /nfs/dbraw/zinc/29/55/93/432295593.db2.gz LDNXVRVLUZLXMG-WXHSDQCUSA-N 0 0 314.212 3.150 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](C#N)C1 ZINC000191427555 432262962 /nfs/dbraw/zinc/26/29/62/432262962.db2.gz DLOTUVQBKFDJIW-OAHLLOKOSA-N 0 0 313.401 3.295 10 30 DGEERN COc1ccc(C(=O)N[C@@H](C#N)C2CC2)c(OCCC(C)C)c1 ZINC000191940874 432315948 /nfs/dbraw/zinc/31/59/48/432315948.db2.gz IUQQJBIZJMGWTA-INIZCTEOSA-N 0 0 316.401 3.152 10 30 DGEERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000248765431 432317394 /nfs/dbraw/zinc/31/73/94/432317394.db2.gz NUGZNQDWUSCTMT-DAXOMENPSA-N 0 0 319.364 3.166 10 30 DGEERN COc1cccc(F)c1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000174462531 432350997 /nfs/dbraw/zinc/35/09/97/432350997.db2.gz IWTRTIPPADRYSU-LBPRGKRZSA-N 0 0 312.344 3.126 10 30 DGEERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000183613039 432308320 /nfs/dbraw/zinc/30/83/20/432308320.db2.gz VYBSILHIUDCYSY-GOSISDBHSA-N 0 0 319.408 3.299 10 30 DGEERN C[C@@H](NC(=O)c1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000173925847 432309040 /nfs/dbraw/zinc/30/90/40/432309040.db2.gz LKCNWXXFWWBHRB-GFCCVEGCSA-N 0 0 322.393 3.296 10 30 DGEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(C)c1 ZINC000254443654 432403129 /nfs/dbraw/zinc/40/31/29/432403129.db2.gz RXPOPLKDYCSYFM-UHFFFAOYSA-N 0 0 322.817 3.351 10 30 DGEERN C=CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000249870749 432360812 /nfs/dbraw/zinc/36/08/12/432360812.db2.gz GCHWXIVXJPICPN-IPMKNSEASA-N 0 0 307.393 3.121 10 30 DGEERN CO[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[C@H]1C ZINC000251540887 432369354 /nfs/dbraw/zinc/36/93/54/432369354.db2.gz DQIIDUYTOUKYPX-DJIMGWMZSA-N 0 0 315.417 3.098 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000251780582 432370582 /nfs/dbraw/zinc/37/05/82/432370582.db2.gz RWINPMRBSLNGRV-XHSDSOJGSA-N 0 0 324.371 3.185 10 30 DGEERN CC(C)[C@H]1C[C@H]1C(=O)NCCSCc1ccccc1C#N ZINC000184967756 432451055 /nfs/dbraw/zinc/45/10/55/432451055.db2.gz OHLRLAYANHFCAX-HZPDHXFCSA-N 0 0 302.443 3.200 10 30 DGEERN CCc1onc(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000153571427 432420658 /nfs/dbraw/zinc/42/06/58/432420658.db2.gz WIDFVOPSMAZIBM-UHFFFAOYSA-N 0 0 313.357 3.457 10 30 DGEERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)[nH]1 ZINC000154164453 432478171 /nfs/dbraw/zinc/47/81/71/432478171.db2.gz BIRPHNZJDVEHCG-UGSOOPFHSA-N 0 0 317.396 3.425 10 30 DGEERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000175978021 432483626 /nfs/dbraw/zinc/48/36/26/432483626.db2.gz DUIBMUHKTZACKQ-PBHICJAKSA-N 0 0 315.417 3.157 10 30 DGEERN C=C(C)COc1cccc(NC(=O)COCc2cc(C)no2)c1 ZINC000193597493 432484166 /nfs/dbraw/zinc/48/41/66/432484166.db2.gz BHSDMBXFHZSPEN-UHFFFAOYSA-N 0 0 316.357 3.093 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1sc2nccn2c1C ZINC000272372520 432491461 /nfs/dbraw/zinc/49/14/61/432491461.db2.gz AVXQDVUMIFNHCF-UHFFFAOYSA-N 0 0 315.398 3.168 10 30 DGEERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(C#N)cn2C)C1 ZINC000176187495 432499656 /nfs/dbraw/zinc/49/96/56/432499656.db2.gz JFEUCUWHDOKVOG-MLGOLLRUSA-N 0 0 311.360 3.259 10 30 DGEERN C[C@H]1COCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000193805676 432499707 /nfs/dbraw/zinc/49/97/07/432499707.db2.gz KQZWUNAQRWOVQH-QWRGUYRKSA-N 0 0 304.415 3.110 10 30 DGEERN C[C@@H]1COCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000193812560 432500609 /nfs/dbraw/zinc/50/06/09/432500609.db2.gz BVMHYSBBSNKOKB-VXGBXAGGSA-N 0 0 318.442 3.500 10 30 DGEERN CCc1csc([C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n1 ZINC000176303949 432510749 /nfs/dbraw/zinc/51/07/49/432510749.db2.gz GJMCJPGNNXQHGY-MRXNPFEDSA-N 0 0 324.449 3.463 10 30 DGEERN C=CCN(C)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000154007938 432463159 /nfs/dbraw/zinc/46/31/59/432463159.db2.gz PFEBIPIRKHIIQO-CYBMUJFWSA-N 0 0 309.207 3.264 10 30 DGEERN CC(C)c1ccc(CCCNC(=O)c2ccnc(C#N)c2)cc1 ZINC000193287542 432463315 /nfs/dbraw/zinc/46/33/15/432463315.db2.gz NXWPXLNORPMGNW-UHFFFAOYSA-N 0 0 307.397 3.439 10 30 DGEERN CCC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000155352006 432551040 /nfs/dbraw/zinc/55/10/40/432551040.db2.gz YAMLYZAYPJMCAA-HUUCEWRRSA-N 0 0 300.402 3.364 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2ncsc2c1 ZINC000194491783 432554619 /nfs/dbraw/zinc/55/46/19/432554619.db2.gz SJNJMXMNKCFEPK-UHFFFAOYSA-N 0 0 300.305 3.487 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCC(=O)OC)c1ccccc1C ZINC000186147535 432562241 /nfs/dbraw/zinc/56/22/41/432562241.db2.gz MRCVTZAHLRKTDC-HNNXBMFYSA-N 0 0 303.402 3.493 10 30 DGEERN COc1cc(C(=O)NC2(C#N)CCCC2)ccc1OCC(C)C ZINC000194389147 432547604 /nfs/dbraw/zinc/54/76/04/432547604.db2.gz WWAAKCGILPYBAR-UHFFFAOYSA-N 0 0 316.401 3.296 10 30 DGEERN COc1cc(OC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)ccc1C#N ZINC000195159531 432609583 /nfs/dbraw/zinc/60/95/83/432609583.db2.gz DVIMMHXZBXERFG-APPDUMDISA-N 0 0 309.321 3.037 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000186617910 432614739 /nfs/dbraw/zinc/61/47/39/432614739.db2.gz TYARLGGZDKNCOZ-CQSZACIVSA-N 0 0 315.373 3.017 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCCc2cccc(O)c21 ZINC000155667253 432568459 /nfs/dbraw/zinc/56/84/59/432568459.db2.gz OCZDLKSRHYHVMF-ZDUSSCGKSA-N 0 0 322.364 3.011 10 30 DGEERN COc1ccc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)cc1F ZINC000194719505 432572447 /nfs/dbraw/zinc/57/24/47/432572447.db2.gz VLTCATCDEHQBRM-GFCCVEGCSA-N 0 0 312.344 3.126 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000186325348 432583548 /nfs/dbraw/zinc/58/35/48/432583548.db2.gz MXXYXJUJTJEQDV-HNNXBMFYSA-N 0 0 306.406 3.170 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC000186357417 432585578 /nfs/dbraw/zinc/58/55/78/432585578.db2.gz IZNTYXASGOJIEA-GOEBONIOSA-N 0 0 320.433 3.019 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000273388695 432594427 /nfs/dbraw/zinc/59/44/27/432594427.db2.gz DRDSLLBEBPXVKN-SECBINFHSA-N 0 0 322.714 3.417 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000186429211 432595155 /nfs/dbraw/zinc/59/51/55/432595155.db2.gz WBOYPMRWIPPBIV-YOEHRIQHSA-N 0 0 320.408 3.293 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN(C)C[C@H]1CCCO1 ZINC000263959593 432597910 /nfs/dbraw/zinc/59/79/10/432597910.db2.gz ZRKFMZGUCMCOJC-CQSZACIVSA-N 0 0 320.458 3.014 10 30 DGEERN CCN(Cc1nnc(C(C)C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084702 432601148 /nfs/dbraw/zinc/60/11/48/432601148.db2.gz ALNDMISRCHZWLE-AWEZNQCLSA-N 0 0 311.433 3.393 10 30 DGEERN N#Cc1csc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000177468609 432628470 /nfs/dbraw/zinc/62/84/70/432628470.db2.gz YKTUIZPTSFYLKR-UHFFFAOYSA-N 0 0 311.410 3.110 10 30 DGEERN Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000186931646 432637773 /nfs/dbraw/zinc/63/77/73/432637773.db2.gz LCCXIHYDXWQBOW-UHFFFAOYSA-N 0 0 321.336 3.445 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000274317068 432650242 /nfs/dbraw/zinc/65/02/42/432650242.db2.gz ZRGDKYHDJYAVBZ-STQMWFEESA-N 0 0 321.417 3.492 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000274317775 432651116 /nfs/dbraw/zinc/65/11/16/432651116.db2.gz ADVWSQVXIRXTFL-QAPCUYQASA-N 0 0 301.430 3.388 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000274344079 432654452 /nfs/dbraw/zinc/65/44/52/432654452.db2.gz NGZGODDSLIOHEB-ZIAGYGMSSA-N 0 0 304.438 3.174 10 30 DGEERN C=C(I)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000217508865 432655949 /nfs/dbraw/zinc/65/59/49/432655949.db2.gz FEEZBVDHAJGKHL-UHFFFAOYSA-N 0 0 323.174 3.192 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](NC(=O)[C@@H](C)CC(=C)C)C(C)C ZINC000274363515 432657407 /nfs/dbraw/zinc/65/74/07/432657407.db2.gz QABDZXUXSJZTDS-ULQDDVLXSA-N 0 0 322.493 3.448 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000274370283 432659555 /nfs/dbraw/zinc/65/95/55/432659555.db2.gz YRDLEWAZZXBCRB-OAHLLOKOSA-N 0 0 302.418 3.362 10 30 DGEERN CN(C(=O)c1csc(C(F)(F)F)n1)c1cccc(C#N)c1 ZINC000187980458 432696761 /nfs/dbraw/zinc/69/67/61/432696761.db2.gz OKQXVSSSBBUQEL-UHFFFAOYSA-N 0 0 311.288 3.310 10 30 DGEERN CC(C)n1c(SCC#Cc2ccccc2)nnc1N(C)C ZINC000187982426 432697793 /nfs/dbraw/zinc/69/77/93/432697793.db2.gz DWACVYLKSYJDIB-UHFFFAOYSA-N 0 0 300.431 3.069 10 30 DGEERN C=CCC[C@@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051676 432700964 /nfs/dbraw/zinc/70/09/64/432700964.db2.gz CIOIFPIDOBLYJV-IEBWSBKVSA-N 0 0 323.440 3.486 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000188054450 432701647 /nfs/dbraw/zinc/70/16/47/432701647.db2.gz VCEWFONGOVVRJG-PXAZEXFGSA-N 0 0 309.381 3.240 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000265515502 432706574 /nfs/dbraw/zinc/70/65/74/432706574.db2.gz HGIFOHGJMFRKDR-UHFFFAOYSA-N 0 0 312.316 3.181 10 30 DGEERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(C#N)c(O)c3)c21 ZINC000188255665 432714397 /nfs/dbraw/zinc/71/43/97/432714397.db2.gz SKMVCPMGHUJIBW-UHFFFAOYSA-N 0 0 319.364 3.026 10 30 DGEERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc(F)c1C#N ZINC000188275070 432715770 /nfs/dbraw/zinc/71/57/70/432715770.db2.gz MVNDPKBHYHTJJV-SNVBAGLBSA-N 0 0 316.307 3.336 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(C(C)(F)F)c1 ZINC000187572623 432670324 /nfs/dbraw/zinc/67/03/24/432670324.db2.gz OOYNRSYTBVWEEP-HNNXBMFYSA-N 0 0 309.360 3.265 10 30 DGEERN C[C@@H](NCc1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1 ZINC000178050549 432689768 /nfs/dbraw/zinc/68/97/68/432689768.db2.gz NLKZVQQKGKHACP-CYBMUJFWSA-N 0 0 321.359 3.129 10 30 DGEERN N#Cc1ccc(C(=O)NCc2ccc(C(F)F)cc2)cc1O ZINC000188805446 432747584 /nfs/dbraw/zinc/74/75/84/432747584.db2.gz WIZAWBAVNWFAHF-UHFFFAOYSA-N 0 0 302.280 3.131 10 30 DGEERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cccc(C#N)c3C)C2)c1 ZINC000178536227 432750663 /nfs/dbraw/zinc/75/06/63/432750663.db2.gz CAQJBAFXOSQDSG-INIZCTEOSA-N 0 0 323.400 3.241 10 30 DGEERN CC(=O)c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000189082507 432762215 /nfs/dbraw/zinc/76/22/15/432762215.db2.gz HVVFPFCSIJNWQC-UHFFFAOYSA-N 0 0 304.349 3.431 10 30 DGEERN CC[C@H](CC#N)NC(=O)C1(c2ccccc2Br)CC1 ZINC000188726693 432741907 /nfs/dbraw/zinc/74/19/07/432741907.db2.gz VGHSUVOVCJWVRF-LLVKDONJSA-N 0 0 321.218 3.289 10 30 DGEERN Cc1ccc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000235183447 432742199 /nfs/dbraw/zinc/74/21/99/432742199.db2.gz FUASQKHPAUKIIC-VIFPVBQESA-N 0 0 302.359 3.275 10 30 DGEERN C[C@H](Sc1nnnn1-c1ccccc1)c1cccc(C#N)c1 ZINC000189771225 432818009 /nfs/dbraw/zinc/81/80/09/432818009.db2.gz DXCOZXJDINRCMO-LBPRGKRZSA-N 0 0 307.382 3.387 10 30 DGEERN Cc1ccc(N2CCC(Nc3nc(C)ccc3C#N)CC2)nc1 ZINC000161553382 432786240 /nfs/dbraw/zinc/78/62/40/432786240.db2.gz KCMCFKQSFVDPSH-UHFFFAOYSA-N 0 0 307.401 3.046 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CCC1 ZINC000189515979 432794582 /nfs/dbraw/zinc/79/45/82/432794582.db2.gz RYNWZHNZUCJABR-MRXNPFEDSA-N 0 0 301.386 3.039 10 30 DGEERN CC(C)COc1ccc(C(C)(C)C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000161718776 432795071 /nfs/dbraw/zinc/79/50/71/432795071.db2.gz PYQPCXQPRDKXPJ-KRWDZBQOSA-N 0 0 314.429 3.417 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](COC)OC ZINC000276445156 432809604 /nfs/dbraw/zinc/80/96/04/432809604.db2.gz SHLAPDKMXBEZGP-HNNXBMFYSA-N 0 0 320.433 3.321 10 30 DGEERN CCCN(CCc1ccccn1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000189683195 432810822 /nfs/dbraw/zinc/81/08/22/432810822.db2.gz SRJRVHKPKRUEIL-UHFFFAOYSA-N 0 0 310.357 3.321 10 30 DGEERN N#C[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000189689910 432811813 /nfs/dbraw/zinc/81/18/13/432811813.db2.gz KPESBHGVXQLNMI-CYBMUJFWSA-N 0 0 308.303 3.155 10 30 DGEERN C=CC[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000189729162 432814011 /nfs/dbraw/zinc/81/40/11/432814011.db2.gz OPORLTIHTWLLRF-LJQANCHMSA-N 0 0 323.440 3.482 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)CCSC ZINC000288079637 432885133 /nfs/dbraw/zinc/88/51/33/432885133.db2.gz GZNXMTZCIPTMNC-NVXWUHKLSA-N 0 0 318.486 3.404 10 30 DGEERN C[C@]1(CNC(=O)[C@@H]2CCN2Cc2ccccc2)CCCC[C@@H]1O ZINC000330025789 432889078 /nfs/dbraw/zinc/88/90/78/432889078.db2.gz KUUNYETWEFUYJR-JENIJYKNSA-N 0 0 316.445 3.159 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)Cc1ccccc1Br ZINC000277425340 432849367 /nfs/dbraw/zinc/84/93/67/432849367.db2.gz KJESQHCRWYXYEY-UHFFFAOYSA-N 0 0 318.214 3.070 10 30 DGEERN C#CCOc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000277468919 432852374 /nfs/dbraw/zinc/85/23/74/432852374.db2.gz PTILVRSYVGBNSU-GFCCVEGCSA-N 0 0 311.303 3.113 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1ccc(OCCCC)cc1 ZINC000278988770 432924461 /nfs/dbraw/zinc/92/44/61/432924461.db2.gz ZHLKIWYAIYYZNP-UHFFFAOYSA-N 0 0 311.425 3.187 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C)nc1C ZINC000289136959 432925840 /nfs/dbraw/zinc/92/58/40/432925840.db2.gz TXUBPOZZEXSJKR-QGZVFWFLSA-N 0 0 307.397 3.455 10 30 DGEERN CCC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000330240915 432899500 /nfs/dbraw/zinc/89/95/00/432899500.db2.gz BQCCXYHXHBWYNM-MGPQQGTHSA-N 0 0 312.479 3.123 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000279409787 432965609 /nfs/dbraw/zinc/96/56/09/432965609.db2.gz HKYSDEZJEBDWBJ-SECBINFHSA-N 0 0 303.736 3.216 10 30 DGEERN C=CCCC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000289675036 432971481 /nfs/dbraw/zinc/97/14/81/432971481.db2.gz LCVMTFCSSJTQEK-SNVBAGLBSA-N 0 0 317.311 3.194 10 30 DGEERN N#Cc1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)ccn1 ZINC000279832961 432992483 /nfs/dbraw/zinc/99/24/83/432992483.db2.gz QKUZUKNSCQJWKU-SFHVURJKSA-N 0 0 305.381 3.191 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CS(=O)(=O)c2ccc(C)cc2)no1 ZINC000290163390 433006035 /nfs/dbraw/zinc/00/60/35/433006035.db2.gz JZTWUSDAIPSQLQ-ZDUSSCGKSA-N 0 0 320.414 3.422 10 30 DGEERN C=CCC[C@H](C)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC000290229551 433016470 /nfs/dbraw/zinc/01/64/70/433016470.db2.gz SQZSAYQNKHCUBE-WCQYABFASA-N 0 0 301.390 3.206 10 30 DGEERN C#Cc1cccc(N2C(=O)[C@@H]3C[C@H](C4CCCCC4)CN3C2=O)c1 ZINC000373077039 433087279 /nfs/dbraw/zinc/08/72/79/433087279.db2.gz BMOYKHWTXHMFTP-WMZOPIPTSA-N 0 0 322.408 3.405 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC000280598262 433101379 /nfs/dbraw/zinc/10/13/79/433101379.db2.gz CCGZETJTKUIOHF-UAGQMJEPSA-N 0 0 315.413 3.194 10 30 DGEERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C#N ZINC000157411815 292745117 /nfs/dbraw/zinc/74/51/17/292745117.db2.gz YHIWBRQQKXFCCW-UHFFFAOYSA-N 0 0 318.373 3.301 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000373889491 433164705 /nfs/dbraw/zinc/16/47/05/433164705.db2.gz DFGUZZGLWZFHGP-VCBZYWHSSA-N 0 0 315.413 3.040 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000425329229 433167387 /nfs/dbraw/zinc/16/73/87/433167387.db2.gz QGCFXLVGARIGNP-FUHWJXTLSA-N 0 0 307.409 3.178 10 30 DGEERN COc1cc(C)cc(N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1C ZINC000447171338 433170437 /nfs/dbraw/zinc/17/04/37/433170437.db2.gz GBHYLSDHUAXHGD-KBXCAEBGSA-N 0 0 317.433 3.167 10 30 DGEERN C=CCn1c(N(C)CC2CCCC2)nnc1[C@@]1(C)CCCO1 ZINC000453438062 433184469 /nfs/dbraw/zinc/18/44/69/433184469.db2.gz JUDRYRWQWKBPMD-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@]1(C)CCCO1 ZINC000453443246 433185160 /nfs/dbraw/zinc/18/51/60/433185160.db2.gz QOJBSLZJCFRYSM-DAYGRLMNSA-N 0 0 316.449 3.259 10 30 DGEERN C=CCn1c(N(C)Cc2ccc(C)o2)nnc1[C@]1(C)CCCO1 ZINC000453441365 433186098 /nfs/dbraw/zinc/18/60/98/433186098.db2.gz OHZYFVOZESNDLA-KRWDZBQOSA-N 0 0 316.405 3.028 10 30 DGEERN C=CCn1c(N(CC)C[C@H](C)CC)nnc1[C@]1(C)CCCO1 ZINC000453444766 433189403 /nfs/dbraw/zinc/18/94/03/433189403.db2.gz SSKRHJIMTGGRSR-PBHICJAKSA-N 0 0 306.454 3.362 10 30 DGEERN C=CCn1c([C@H]2CCCCO2)nnc1N(CC1CC1)CC1CC1 ZINC000453444498 433191873 /nfs/dbraw/zinc/19/18/73/433191873.db2.gz SEOXMCJAHHJPMI-MRXNPFEDSA-N 0 0 316.449 3.332 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453467194 433200570 /nfs/dbraw/zinc/20/05/70/433200570.db2.gz QMYOOVWSDHZHBD-PBHICJAKSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(N(C)CCCSC)nnc1[C@]1(C)CCCO1 ZINC000453471186 433200747 /nfs/dbraw/zinc/20/07/47/433200747.db2.gz SNWYBGKSQCBWNL-INIZCTEOSA-N 0 0 324.494 3.069 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@H]2CC)nnc1[C@]1(C)CCCO1 ZINC000453466629 433202540 /nfs/dbraw/zinc/20/25/40/433202540.db2.gz OZOSUGBNCDTNBU-PBHICJAKSA-N 0 0 304.438 3.259 10 30 DGEERN C=C(C)Cn1c(N(C)CC(C)(C)C)nnc1[C@]1(C)CCCO1 ZINC000453471838 433202623 /nfs/dbraw/zinc/20/26/23/433202623.db2.gz VKGRYEZZAGBWLP-KRWDZBQOSA-N 0 0 306.454 3.362 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000337078903 433206716 /nfs/dbraw/zinc/20/67/16/433206716.db2.gz TYFSVYOLILREQX-DHBQWTBNSA-N 0 0 305.462 3.426 10 30 DGEERN C=CCC1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000425385495 433218594 /nfs/dbraw/zinc/21/85/94/433218594.db2.gz NJTFGBSKGDCLOP-UHFFFAOYSA-N 0 0 303.446 3.444 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C)c(C(=O)OC)s2)CCOCC1 ZINC000425414016 433226841 /nfs/dbraw/zinc/22/68/41/433226841.db2.gz DAIQWCOUFFZWHJ-UHFFFAOYSA-N 0 0 323.414 3.155 10 30 DGEERN CC#CCCNC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000361541816 433233221 /nfs/dbraw/zinc/23/32/21/433233221.db2.gz SYVQFDCNCUPRRN-CQSZACIVSA-N 0 0 306.793 3.266 10 30 DGEERN C=CCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000425468770 433253868 /nfs/dbraw/zinc/25/38/68/433253868.db2.gz DWTXYWCTOXPPBW-UHFFFAOYSA-N 0 0 308.309 3.045 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447686583 433258280 /nfs/dbraw/zinc/25/82/80/433258280.db2.gz REWMJOKVUZINCR-KRWDZBQOSA-N 0 0 304.390 3.114 10 30 DGEERN C=CCC1(C(=O)N2CCN(CC)c3ccccc32)CCOCC1 ZINC000425474964 433258860 /nfs/dbraw/zinc/25/88/60/433258860.db2.gz AMAGZDCXHLNCBX-UHFFFAOYSA-N 0 0 314.429 3.232 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000158010463 292758224 /nfs/dbraw/zinc/75/82/24/292758224.db2.gz GGNQFWLPUCYOJT-AWEZNQCLSA-N 0 0 322.364 3.475 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2cnccc2c1 ZINC000453697641 433263429 /nfs/dbraw/zinc/26/34/29/433263429.db2.gz NJJFTRNHFPEYHR-CYBMUJFWSA-N 0 0 311.385 3.034 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000281091108 433264054 /nfs/dbraw/zinc/26/40/54/433264054.db2.gz UNOVHKWNIPTMAA-CABCVRRESA-N 0 0 324.371 3.405 10 30 DGEERN C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCCC1 ZINC000337819076 433264719 /nfs/dbraw/zinc/26/47/19/433264719.db2.gz QNBIHEAGWALBEM-UHFFFAOYSA-N 0 0 323.444 3.017 10 30 DGEERN C=CCC1(C(=O)Nc2ccccc2OCCF)CCOCC1 ZINC000425600430 433316354 /nfs/dbraw/zinc/31/63/54/433316354.db2.gz CQAYAXTXZQCAMC-UHFFFAOYSA-N 0 0 307.365 3.346 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000447931179 433323037 /nfs/dbraw/zinc/32/30/37/433323037.db2.gz ODWSXPXAISRWDY-UHFFFAOYSA-N 0 0 324.229 3.247 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](OCC)c1ccccc1 ZINC000298899858 433273929 /nfs/dbraw/zinc/27/39/29/433273929.db2.gz NOERPGZVCGHCDB-ZDUSSCGKSA-N 0 0 301.308 3.341 10 30 DGEERN Cc1cc([C@H](C#N)C(=O)c2cn(C)c3ccc(F)cc23)nc(C)n1 ZINC000361660684 433325370 /nfs/dbraw/zinc/32/53/70/433325370.db2.gz CIUFVBDEQSLWKY-AWEZNQCLSA-N 0 0 322.343 3.214 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C/C(C)=C/c1ccccc1 ZINC000425563294 433301369 /nfs/dbraw/zinc/30/13/69/433301369.db2.gz IOXOHCLRQSPNNF-GAGTYLRSSA-N 0 0 314.429 3.322 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000425564990 433302659 /nfs/dbraw/zinc/30/26/59/433302659.db2.gz NCDMDVIWWRBEJN-HOCLYGCPSA-N 0 0 316.401 3.060 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000425563270 433302774 /nfs/dbraw/zinc/30/27/74/433302774.db2.gz INQUCNHXVUNNAP-SZMVWBNQSA-N 0 0 316.445 3.159 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCOCC1 ZINC000425559994 433303095 /nfs/dbraw/zinc/30/30/95/433303095.db2.gz HUQKDYFCISMDCB-HNNXBMFYSA-N 0 0 318.804 3.394 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000420914990 433312015 /nfs/dbraw/zinc/31/20/15/433312015.db2.gz ZWTQFHRFXKIZGH-ROUUACIJSA-N 0 0 316.445 3.384 10 30 DGEERN C=CCCCNC(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000448009896 433345073 /nfs/dbraw/zinc/34/50/73/433345073.db2.gz DAMPYMVNHIEEKY-UHFFFAOYSA-N 0 0 303.406 3.143 10 30 DGEERN C=CCCCNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1 ZINC000448016633 433348260 /nfs/dbraw/zinc/34/82/60/433348260.db2.gz JOSQTZBTFZAYRE-UHFFFAOYSA-N 0 0 302.330 3.307 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(Br)o1 ZINC000299294746 433358135 /nfs/dbraw/zinc/35/81/35/433358135.db2.gz LHGUHZDWTQRMHC-UHFFFAOYSA-N 0 0 312.085 3.233 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sccc2[C@@H]1CC ZINC000425855389 433363042 /nfs/dbraw/zinc/36/30/42/433363042.db2.gz MDEJKAHNYGPOGK-QEJZJMRPSA-N 0 0 320.458 3.358 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000425856646 433364653 /nfs/dbraw/zinc/36/46/53/433364653.db2.gz ONDFUDWNUGESMX-YOEHRIQHSA-N 0 0 318.392 3.091 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425876596 433366076 /nfs/dbraw/zinc/36/60/76/433366076.db2.gz SAZNXBMIJJNVOI-QDMKHBRRSA-N 0 0 315.373 3.091 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000299566756 433373492 /nfs/dbraw/zinc/37/34/92/433373492.db2.gz GJKLTTHAVHCVHU-AWEZNQCLSA-N 0 0 321.490 3.233 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000447952587 433328795 /nfs/dbraw/zinc/32/87/95/433328795.db2.gz QFNFFCPTFVQGMT-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCCCNC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000447954622 433330043 /nfs/dbraw/zinc/33/00/43/433330043.db2.gz MBGJDHGPWHRSQR-CVEARBPZSA-N 0 0 306.381 3.311 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447937927 433330535 /nfs/dbraw/zinc/33/05/35/433330535.db2.gz CTMDPIJUMOFULM-UHFFFAOYSA-N 0 0 311.300 3.089 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(-n2cccc2)c1 ZINC000425650614 433336284 /nfs/dbraw/zinc/33/62/84/433336284.db2.gz LOHNAACFWBJDPY-YOEHRIQHSA-N 0 0 311.385 3.190 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000447983841 433336700 /nfs/dbraw/zinc/33/67/00/433336700.db2.gz UORXSLKWFXBQTP-UHFFFAOYSA-N 0 0 314.332 3.062 10 30 DGEERN C=CCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000447989647 433340430 /nfs/dbraw/zinc/34/04/30/433340430.db2.gz ITLDPZICBLQWBQ-JKSUJKDBSA-N 0 0 321.852 3.351 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](O)CC(C)(C)C ZINC000413992789 433340581 /nfs/dbraw/zinc/34/05/81/433340581.db2.gz YMDHMBKKSKXGER-DLBZAZTESA-N 0 0 303.446 3.477 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000448375863 433402929 /nfs/dbraw/zinc/40/29/29/433402929.db2.gz OBEKRNBQAACFTC-UHFFFAOYSA-N 0 0 323.396 3.078 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000281847340 433402943 /nfs/dbraw/zinc/40/29/43/433402943.db2.gz ROXDVXPFFGDIGU-UAGQMJEPSA-N 0 0 317.433 3.155 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCOC[C@@H]1CCOC ZINC000361841202 433418559 /nfs/dbraw/zinc/41/85/59/433418559.db2.gz BGFZJWVXIBTREF-INIZCTEOSA-N 0 0 318.417 3.074 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000361841389 433418781 /nfs/dbraw/zinc/41/87/81/433418781.db2.gz CMQUPPLKTBCXSZ-AWEZNQCLSA-N 0 0 324.371 3.287 10 30 DGEERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(C#N)cc3)C2)n1 ZINC000301114209 433420038 /nfs/dbraw/zinc/42/00/38/433420038.db2.gz XYKNVHPSFKMKSI-MRXNPFEDSA-N 0 0 320.396 3.117 10 30 DGEERN C=CCOc1cccc(N2C(=O)[C@H](CC(C)C)N(C)C2=O)c1 ZINC000292001923 433425177 /nfs/dbraw/zinc/42/51/77/433425177.db2.gz XRCPBFIGDKQXNR-HNNXBMFYSA-N 0 0 302.374 3.065 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H]2CCc3ccccc3C2)cc1 ZINC000448580738 433437014 /nfs/dbraw/zinc/43/70/14/433437014.db2.gz ZFYOGILOTGYPSA-IBGZPJMESA-N 0 0 321.420 3.468 10 30 DGEERN CS[C@H](C)CCC(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000361886925 433437635 /nfs/dbraw/zinc/43/76/35/433437635.db2.gz AYXLCVDYAWIWTL-LLVKDONJSA-N 0 0 303.431 3.302 10 30 DGEERN COc1ccccc1CCN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000301203469 433451981 /nfs/dbraw/zinc/45/19/81/433451981.db2.gz QJDLCKMONWCGTP-UHFFFAOYSA-N 0 0 311.341 3.154 10 30 DGEERN C=CCC1(c2nc([C@@H]3CC(=O)N(CCC)C3)no2)CCCC1 ZINC000351273583 433452265 /nfs/dbraw/zinc/45/22/65/433452265.db2.gz JPGQUJKJJVKONF-CYBMUJFWSA-N 0 0 303.406 3.183 10 30 DGEERN C=C(C)COCCNC(=O)NCCc1c(C)oc2ccccc21 ZINC000361933978 433457143 /nfs/dbraw/zinc/45/71/43/433457143.db2.gz HXYNDJPGFGRPPR-UHFFFAOYSA-N 0 0 316.401 3.176 10 30 DGEERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C#N)n1C ZINC000448627715 433464116 /nfs/dbraw/zinc/46/41/16/433464116.db2.gz MBYVMZFGBGKJJO-SNVBAGLBSA-N 0 0 303.312 3.008 10 30 DGEERN C=CCC1(CNC(=O)NCc2nccn2CC(C)C)CCCC1 ZINC000454544785 433476102 /nfs/dbraw/zinc/47/61/02/433476102.db2.gz IYGZGDIKZHPGEI-UHFFFAOYSA-N 0 0 318.465 3.475 10 30 DGEERN C=C(C)COc1cccc(NC(=O)c2nnn(C(C)C)c2C)c1 ZINC000292133907 433476605 /nfs/dbraw/zinc/47/66/05/433476605.db2.gz HCXBYTVAGAWUJG-UHFFFAOYSA-N 0 0 314.389 3.375 10 30 DGEERN N#Cc1c(Cl)nsc1N1CC[C@H](Nc2ccccc2)C1 ZINC000301279995 433487279 /nfs/dbraw/zinc/48/72/79/433487279.db2.gz ZSRQXIMXUDOLJV-NSHDSACASA-N 0 0 304.806 3.359 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ncccc1CSC ZINC000292332729 433555658 /nfs/dbraw/zinc/55/56/58/433555658.db2.gz OJPAHFFXTABQSC-KRWDZBQOSA-N 0 0 324.449 3.309 10 30 DGEERN C=C(C)[C@@H](Nc1nnc(COC)s1)c1ccc(F)c(F)c1 ZINC000355792986 433557563 /nfs/dbraw/zinc/55/75/63/433557563.db2.gz WRRYUVSAXMEFQT-CYBMUJFWSA-N 0 0 311.357 3.692 10 30 DGEERN C=CCn1c(CC2CC2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000282314686 433563819 /nfs/dbraw/zinc/56/38/19/433563819.db2.gz PTLHWYXIAWNNME-LBPRGKRZSA-N 0 0 314.355 3.195 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448826190 433569490 /nfs/dbraw/zinc/56/94/90/433569490.db2.gz SPYJMWIRBGRUHO-UHFFFAOYSA-N 0 0 300.202 3.224 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCc2occc2C1 ZINC000292512615 433577340 /nfs/dbraw/zinc/57/73/40/433577340.db2.gz KPKDREZFMFNGIM-GOSISDBHSA-N 0 0 322.408 3.372 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@H]2OC)nnc1-c1cccnc1 ZINC000292535822 433578497 /nfs/dbraw/zinc/57/84/97/433578497.db2.gz APFQFKXXRMDFAX-KGLIPLIRSA-N 0 0 316.430 3.186 10 30 DGEERN C#CC[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CC1 ZINC000292591248 433579519 /nfs/dbraw/zinc/57/95/19/433579519.db2.gz BEZULPOBRGWIBV-OAHLLOKOSA-N 0 0 317.396 3.208 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)OCCc1ccccc1 ZINC000448844877 433580450 /nfs/dbraw/zinc/58/04/50/433580450.db2.gz BZZVYWJZYRPHAG-CRAIPNDOSA-N 0 0 302.418 3.079 10 30 DGEERN C=CCN(CCC#N)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000292599582 433584484 /nfs/dbraw/zinc/58/44/84/433584484.db2.gz ZSTYMSFEINYJSX-UHFFFAOYSA-N 0 0 312.291 3.056 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1nnn(C(C)C)c1C ZINC000292703069 433587984 /nfs/dbraw/zinc/58/79/84/433587984.db2.gz HPIWGRRZIJPYLC-UHFFFAOYSA-N 0 0 304.438 3.376 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000362143850 433547275 /nfs/dbraw/zinc/54/72/75/433547275.db2.gz YLDPINDFUXVABP-ZWKOTPCHSA-N 0 0 316.420 3.456 10 30 DGEERN C=CCOc1ccc(C(=O)NCC2CCC(OC)CC2)cc1 ZINC000427053002 433645918 /nfs/dbraw/zinc/64/59/18/433645918.db2.gz IAQIJCXERNKFNI-UHFFFAOYSA-N 0 0 303.402 3.186 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@@H](C)c2nc(C)cs2)cc1 ZINC000448886720 433597400 /nfs/dbraw/zinc/59/74/00/433597400.db2.gz PTKLRMOEQLLQPQ-ZDUSSCGKSA-N 0 0 316.426 3.436 10 30 DGEERN C#CCOc1cccc(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000292826568 433598164 /nfs/dbraw/zinc/59/81/64/433598164.db2.gz DJBYXPNSFWTYAT-ZBFHGGJFSA-N 0 0 320.339 3.208 10 30 DGEERN C#CCOc1cccc(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000292826563 433598372 /nfs/dbraw/zinc/59/83/72/433598372.db2.gz DJBYXPNSFWTYAT-GOEBONIOSA-N 0 0 320.339 3.208 10 30 DGEERN C=CCC1(NC(=O)[C@H](OC)c2ccc(O)cc2)CCCCC1 ZINC000456361040 433616744 /nfs/dbraw/zinc/61/67/44/433616744.db2.gz FDBUGSPSFQTMMV-MRXNPFEDSA-N 0 0 303.402 3.475 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000448938083 433621382 /nfs/dbraw/zinc/62/13/82/433621382.db2.gz PEZRMYSVPAVLLN-UQVLAFNGSA-N 0 0 321.461 3.164 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N(C)C1CC(C)(C)C1 ZINC000414516189 433679650 /nfs/dbraw/zinc/67/96/50/433679650.db2.gz OOSIPUVVDZCLOD-UHFFFAOYSA-N 0 0 311.433 3.075 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000293294291 433687171 /nfs/dbraw/zinc/68/71/71/433687171.db2.gz DMBQIINHPRJSBM-IUODEOHRSA-N 0 0 308.447 3.358 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCOCC23CCCCC3)cc1 ZINC000456514388 433700578 /nfs/dbraw/zinc/70/05/78/433700578.db2.gz BUQRYRNCQUMXAI-UHFFFAOYSA-N 0 0 315.413 3.427 10 30 DGEERN C#CCCCS(=O)(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000376392467 433727464 /nfs/dbraw/zinc/72/74/64/433727464.db2.gz UOZDRRACEKFNOC-HIFRSBDPSA-N 0 0 309.431 3.104 10 30 DGEERN CCN(CC)c1ccc(CNc2cc(C)nc(C)c2C#N)cn1 ZINC000301796756 433728972 /nfs/dbraw/zinc/72/89/72/433728972.db2.gz UABMRAYKWWDSOR-UHFFFAOYSA-N 0 0 309.417 3.423 10 30 DGEERN CCc1ccccc1NC(=O)CN(C)c1cc(C)nc(C)c1C#N ZINC000301807140 433733364 /nfs/dbraw/zinc/73/33/64/433733364.db2.gz YDTGMZDLHQPSRO-UHFFFAOYSA-N 0 0 322.412 3.207 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339704384 433738468 /nfs/dbraw/zinc/73/84/68/433738468.db2.gz IQTXGLPGTDZHTL-NVXWUHKLSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1cccc(Sc2nnc3ccc(C(F)(F)F)cn32)n1 ZINC000301822536 433739520 /nfs/dbraw/zinc/73/95/20/433739520.db2.gz HFMYNJYLYSXAFZ-UHFFFAOYSA-N 0 0 321.287 3.166 10 30 DGEERN CC1(C#N)CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283584886 433746321 /nfs/dbraw/zinc/74/63/21/433746321.db2.gz LBXBGQXZHPQCJO-UHFFFAOYSA-N 0 0 318.324 3.319 10 30 DGEERN COc1cccc([C@H]2C[C@H](O)CN2c2ccc(F)cc2C#N)c1 ZINC000283673017 433760887 /nfs/dbraw/zinc/76/08/87/433760887.db2.gz YJMQARBSOLMJPI-MAUKXSAKSA-N 0 0 312.344 3.018 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccccc2)nn1C ZINC000449826566 433824698 /nfs/dbraw/zinc/82/46/98/433824698.db2.gz SEJLEAGIMCYTRY-SFHVURJKSA-N 0 0 310.401 3.145 10 30 DGEERN CCO[C@@H](C)c1ncc(C(=O)N2CCC(C)(C#N)CC2)s1 ZINC000356973952 433792709 /nfs/dbraw/zinc/79/27/09/433792709.db2.gz GZEUZKDIPHXGIL-NSHDSACASA-N 0 0 307.419 3.006 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000376953545 433840483 /nfs/dbraw/zinc/84/04/83/433840483.db2.gz ONZCTLGTHJRDGS-INIZCTEOSA-N 0 0 315.800 3.333 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000434071620 433859086 /nfs/dbraw/zinc/85/90/86/433859086.db2.gz NJQAGTHPAYZKME-UHFFFAOYSA-N 0 0 303.337 3.911 10 30 DGEERN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccc(C#N)cc1 ZINC000434797645 433866520 /nfs/dbraw/zinc/86/65/20/433866520.db2.gz ZRWJVVZVLRZNEK-OALUTQOASA-N 0 0 320.392 3.437 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456943917 433899436 /nfs/dbraw/zinc/89/94/36/433899436.db2.gz WMGHWDAKQNMXMF-AWEZNQCLSA-N 0 0 306.372 3.074 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000450020005 433929467 /nfs/dbraw/zinc/92/94/67/433929467.db2.gz SKSNBPHRNMGYFQ-NKKGCODLSA-N 0 0 303.377 3.326 10 30 DGEERN Cc1ccccc1C[C@H](CO)CNc1c(C#N)cccc1C#N ZINC000302842759 433882977 /nfs/dbraw/zinc/88/29/77/433882977.db2.gz MSUQYENGEKZKQX-HNNXBMFYSA-N 0 0 305.381 3.001 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(N(C)C)c1C ZINC000436382931 433953328 /nfs/dbraw/zinc/95/33/28/433953328.db2.gz CYTWJTWRQBCQLO-PBHICJAKSA-N 0 0 317.433 3.164 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)C#N ZINC000294155564 434019614 /nfs/dbraw/zinc/01/96/14/434019614.db2.gz ALVPIBJWSKPIDN-RKDXNWHRSA-N 0 0 301.173 3.131 10 30 DGEERN C[C@H](C#N)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000294155550 434020285 /nfs/dbraw/zinc/02/02/85/434020285.db2.gz ALVPIBJWSKPIDN-BDAKNGLRSA-N 0 0 301.173 3.131 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1 ZINC000294177167 434027386 /nfs/dbraw/zinc/02/73/86/434027386.db2.gz WAOFSLISYPJRIN-SNVBAGLBSA-N 0 0 310.419 3.135 10 30 DGEERN C=CCC(C)(C)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352535839 434041711 /nfs/dbraw/zinc/04/17/11/434041711.db2.gz WABLJFFKHDBDOP-UHFFFAOYSA-N 0 0 300.377 3.447 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC000285957468 434119279 /nfs/dbraw/zinc/11/92/79/434119279.db2.gz VSRJQQJURJTOOL-QRVBRYPASA-N 0 0 313.441 3.333 10 30 DGEERN Cc1ocnc1CNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000330055720 294059290 /nfs/dbraw/zinc/05/92/90/294059290.db2.gz UTXXCVMJMYVPCG-NSHDSACASA-N 0 0 319.327 3.307 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(CSC)c1 ZINC000437483053 434268833 /nfs/dbraw/zinc/26/88/33/434268833.db2.gz KRMNSOQNNXZETG-BBRMVZONSA-N 0 0 323.433 3.400 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1ccccc1OCC ZINC000437512945 434274299 /nfs/dbraw/zinc/27/42/99/434274299.db2.gz FSDPUXSMPKXENS-APWZRJJASA-N 0 0 317.429 3.115 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2cnc(N(C)C)nc2)CCCCC1 ZINC000450495558 434226293 /nfs/dbraw/zinc/22/62/93/434226293.db2.gz AVFBYVAMEMMKEW-UHFFFAOYSA-N 0 0 316.449 3.028 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000450509425 434239642 /nfs/dbraw/zinc/23/96/42/434239642.db2.gz KKMOOLREUSKWPA-ZBTGYSDGSA-N 0 0 305.381 3.215 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1OCCc2ccccc21 ZINC000286636876 434281095 /nfs/dbraw/zinc/28/10/95/434281095.db2.gz DCQSLPDBDRSFCC-QUCCMNQESA-N 0 0 319.404 3.051 10 30 DGEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(C)oc2C)cn1 ZINC000328617023 434292131 /nfs/dbraw/zinc/29/21/31/434292131.db2.gz CHIZWGMROWBYKJ-JKSUJKDBSA-N 0 0 317.389 3.338 10 30 DGEERN Cc1ccsc1CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000328625432 434294026 /nfs/dbraw/zinc/29/40/26/434294026.db2.gz KTCFPDIVDJIQMR-DZGCQCFKSA-N 0 0 319.430 3.067 10 30 DGEERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](n3cccn3)C2)[C@@H]1C ZINC000328687707 434302369 /nfs/dbraw/zinc/30/23/69/434302369.db2.gz HEQSZARRFXLKDY-NCOADZHNSA-N 0 0 318.465 3.301 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000450669700 434328195 /nfs/dbraw/zinc/32/81/95/434328195.db2.gz UKHWHWNYUJVRCP-IBGZPJMESA-N 0 0 307.397 3.134 10 30 DGEERN CC[C@H](NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)[C@@H]1CCCO1 ZINC000328950100 434333081 /nfs/dbraw/zinc/33/30/81/434333081.db2.gz HLVRQPCZXKEKRQ-WCVJEAGWSA-N 0 0 317.433 3.068 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1C ZINC000287434515 434363747 /nfs/dbraw/zinc/36/37/47/434363747.db2.gz QUPDOWJDZHCPBS-KRWDZBQOSA-N 0 0 323.440 3.311 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C)ccc1C ZINC000437934480 434369039 /nfs/dbraw/zinc/36/90/39/434369039.db2.gz PWMRZCPKDSNKLD-FUHWJXTLSA-N 0 0 316.445 3.426 10 30 DGEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(C(F)(F)F)CCC1 ZINC000457832423 434370227 /nfs/dbraw/zinc/37/02/27/434370227.db2.gz HUGRIJXWQJRBAV-RYUDHWBXSA-N 0 0 305.340 3.207 10 30 DGEERN CC1(CNC(=O)N2CCC[C@H]2Cn2ccnn2)CCCCCC1 ZINC000329211841 434373014 /nfs/dbraw/zinc/37/30/14/434373014.db2.gz ZMJDNUPPRSAMPE-HNNXBMFYSA-N 0 0 319.453 3.017 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCSC ZINC000287501156 434380075 /nfs/dbraw/zinc/38/00/75/434380075.db2.gz UAWYFAWPSUGKKD-MRXNPFEDSA-N 0 0 304.459 3.016 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457880060 434384478 /nfs/dbraw/zinc/38/44/78/434384478.db2.gz QIGWQSKVQUJLFC-LBPRGKRZSA-N 0 0 311.809 3.184 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1Cc2ccccc2[C@H]1C ZINC000438049530 434390430 /nfs/dbraw/zinc/39/04/30/434390430.db2.gz BHNUSQVAGBMWKZ-KEYYUXOJSA-N 0 0 300.402 3.254 10 30 DGEERN C=CCN(CCOC)C(=O)c1ccc(OC(C)C)cc1Cl ZINC000457768175 434338618 /nfs/dbraw/zinc/33/86/18/434338618.db2.gz QNKBWYWNAXGSIX-UHFFFAOYSA-N 0 0 311.809 3.402 10 30 DGEERN Cn1cc(NC(=O)NCC2CCC(F)(F)CC2)c(C2CC2)n1 ZINC000329610877 434442798 /nfs/dbraw/zinc/44/27/98/434442798.db2.gz JMVISVKEDHZUSU-UHFFFAOYSA-N 0 0 312.364 3.449 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000417449671 434394383 /nfs/dbraw/zinc/39/43/83/434394383.db2.gz BYPJDXXYRMJFKF-SOUVJXGZSA-N 0 0 314.433 3.323 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@H]1CCSC1 ZINC000358824369 434409289 /nfs/dbraw/zinc/40/92/89/434409289.db2.gz FGTXHKMRFLRACB-ZDUSSCGKSA-N 0 0 304.419 3.056 10 30 DGEERN Cn1cnc2c1nccc2C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329447897 434413718 /nfs/dbraw/zinc/41/37/18/434413718.db2.gz LMPKOWGFRXDFFQ-UHFFFAOYSA-N 0 0 310.401 3.098 10 30 DGEERN C=CCN(CCC#N)C(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000359440519 434419195 /nfs/dbraw/zinc/41/91/95/434419195.db2.gz NQQIHSBKZYNONM-UHFFFAOYSA-N 0 0 308.385 3.235 10 30 DGEERN C#CCC(CC#C)C(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000287674390 434423731 /nfs/dbraw/zinc/42/37/31/434423731.db2.gz KZKWZFZGBZBCBO-UHFFFAOYSA-N 0 0 324.424 3.023 10 30 DGEERN CCc1noc(C)c1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000329519328 434424895 /nfs/dbraw/zinc/42/48/95/434424895.db2.gz NYIUVURJAXIOTO-ZDUSSCGKSA-N 0 0 316.405 3.185 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Br ZINC000123925872 294821447 /nfs/dbraw/zinc/82/14/47/294821447.db2.gz FFHAQKXYLPPJBX-GZMMTYOYSA-N 0 0 311.154 3.010 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329539889 434428332 /nfs/dbraw/zinc/42/83/32/434428332.db2.gz CQQYSBIVTNPJMZ-HLPPOEQASA-N 0 0 318.465 3.231 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1sc(C)cc1Br ZINC000417607046 434461516 /nfs/dbraw/zinc/46/15/16/434461516.db2.gz FUJZKHZPOAOONU-VIFPVBQESA-N 0 0 318.236 3.328 10 30 DGEERN C#CCC(CC#C)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000287843199 434463164 /nfs/dbraw/zinc/46/31/64/434463164.db2.gz LKVFOYRNGFUQIN-AWEZNQCLSA-N 0 0 311.347 3.230 10 30 DGEERN C=CCc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000438362154 434470452 /nfs/dbraw/zinc/47/04/52/434470452.db2.gz WTPGECSCODSJGN-MJBXVCDLSA-N 0 0 305.418 3.127 10 30 DGEERN C=C(CC)CNc1cc(Br)cc(F)c1C(N)=O ZINC000450906063 434473541 /nfs/dbraw/zinc/47/35/41/434473541.db2.gz CSNKTQJQQMNRNO-UHFFFAOYSA-N 0 0 301.159 3.065 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000417629072 434475359 /nfs/dbraw/zinc/47/53/59/434475359.db2.gz RMTDCGIGOSSBLN-LBPRGKRZSA-N 0 0 317.307 3.137 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000417629146 434476934 /nfs/dbraw/zinc/47/69/34/434476934.db2.gz RTENJZBHZDAQEE-JTQLQIEISA-N 0 0 316.170 3.097 10 30 DGEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000329879846 434500270 /nfs/dbraw/zinc/50/02/70/434500270.db2.gz MUNICCOXWATKPY-MRVWCRGKSA-N 0 0 317.339 3.305 10 30 DGEERN C[C@@H]1CCN(C(=O)NCC2(CC#N)CC2)[C@H](c2ccco2)C1 ZINC000366761560 434504376 /nfs/dbraw/zinc/50/43/76/434504376.db2.gz FBUUBRZJJCFVLB-KGLIPLIRSA-N 0 0 301.390 3.456 10 30 DGEERN Cc1cncc(CNC(=O)N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000329644883 434449574 /nfs/dbraw/zinc/44/95/74/434449574.db2.gz APXFYFRLSKRVOT-KRWDZBQOSA-N 0 0 317.433 3.085 10 30 DGEERN CC(C)(NS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCC1 ZINC000398053934 434450066 /nfs/dbraw/zinc/45/00/66/434450066.db2.gz CLVFIWVUYKPXJM-UHFFFAOYSA-N 0 0 312.822 3.069 10 30 DGEERN N#Cc1cccc(CCNc2ncnc3c4ccccc4oc32)c1 ZINC000359936314 434454155 /nfs/dbraw/zinc/45/41/55/434454155.db2.gz WSYQYIYRHVBSNY-UHFFFAOYSA-N 0 0 314.348 3.902 10 30 DGEERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000366863474 434526265 /nfs/dbraw/zinc/52/62/65/434526265.db2.gz GVFRDMUXCZGILZ-QGZVFWFLSA-N 0 0 323.400 3.245 10 30 DGEERN N#CC1CCC(CNC(=O)[C@H]2CCCN2c2ccccc2)CC1 ZINC000366921844 434531609 /nfs/dbraw/zinc/53/16/09/434531609.db2.gz MSTMTUDPUWONIQ-LEOMRAHMSA-N 0 0 311.429 3.102 10 30 DGEERN Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000408230761 434553905 /nfs/dbraw/zinc/55/39/05/434553905.db2.gz DEKWOHDKWNDBRP-YPMHNXCESA-N 0 0 321.218 3.488 10 30 DGEERN N#Cc1cnc(N[C@H]2CCCO[C@@H]2c2ccncc2)c(Cl)c1 ZINC000275351780 294992071 /nfs/dbraw/zinc/99/20/71/294992071.db2.gz AAGOEDKPMKQHFL-LSDHHAIUSA-N 0 0 314.776 3.334 10 30 DGEERN COc1ccc(/C=C\C(=O)c2c(=O)[nH]c(C)c3c2CCCC3)cc1 ZINC000033394533 295062906 /nfs/dbraw/zinc/06/29/06/295062906.db2.gz CGVSMYHKXVNCGP-XFXZXTDPSA-N 0 0 323.392 3.467 10 30 DGEERN C=CCOCCCC(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000439157107 434573257 /nfs/dbraw/zinc/57/32/57/434573257.db2.gz MUHNBIAIZKAGTG-UHFFFAOYSA-N 0 0 313.401 3.615 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000368923836 434585642 /nfs/dbraw/zinc/58/56/42/434585642.db2.gz DIQROKZZRPLXTO-IBGZPJMESA-N 0 0 315.413 3.017 10 30 DGEERN N#CC1(c2ccccn2)CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000369206314 434590628 /nfs/dbraw/zinc/59/06/28/434590628.db2.gz MJNNXVJQDTWMJO-UHFFFAOYSA-N 0 0 308.385 3.004 10 30 DGEERN C#CCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000369286829 434590884 /nfs/dbraw/zinc/59/08/84/434590884.db2.gz XFVOQTYEAMJKLL-CQSZACIVSA-N 0 0 321.218 3.319 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000410067021 434632254 /nfs/dbraw/zinc/63/22/54/434632254.db2.gz IMTZWIZHOLQIPP-CQSZACIVSA-N 0 0 305.418 3.306 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000410129630 434633545 /nfs/dbraw/zinc/63/35/45/434633545.db2.gz GEFKTMQYKSOSJM-SNVBAGLBSA-N 0 0 322.206 3.410 10 30 DGEERN C=CCCCNC(=O)Nc1cccc(C(=O)OC)c1OC(C)C ZINC000439678037 434634607 /nfs/dbraw/zinc/63/46/07/434634607.db2.gz LVBBDYRABNFQDR-UHFFFAOYSA-N 0 0 320.389 3.348 10 30 DGEERN CC[C@@H]1CCC[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452535183 434639640 /nfs/dbraw/zinc/63/96/40/434639640.db2.gz WQPJHLYYDIAUNV-GLJUWKHASA-N 0 0 322.449 3.191 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCc1nnc(CC)o1 ZINC000459543148 434600666 /nfs/dbraw/zinc/60/06/66/434600666.db2.gz BUZWZVWVCJFBEZ-UHFFFAOYSA-N 0 0 300.362 3.072 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000439410762 434601017 /nfs/dbraw/zinc/60/10/17/434601017.db2.gz PBELEGGKCUWHLY-LLVKDONJSA-N 0 0 303.337 3.957 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC000459542634 434601204 /nfs/dbraw/zinc/60/12/04/434601204.db2.gz AVDIRVWRAIOQAX-PEBXRYMYSA-N 0 0 320.458 3.180 10 30 DGEERN C#CCCCNC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000369775858 434602062 /nfs/dbraw/zinc/60/20/62/434602062.db2.gz UMTZIEOEQALSIL-UHFFFAOYSA-N 0 0 312.413 3.013 10 30 DGEERN C=CCCCNC(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C ZINC000439790192 434648480 /nfs/dbraw/zinc/64/84/80/434648480.db2.gz HLVNZOWNKSRVHR-UHFFFAOYSA-N 0 0 318.808 3.922 10 30 DGEERN C=CCOc1ccc(CC(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000410512777 434650268 /nfs/dbraw/zinc/65/02/68/434650268.db2.gz UPPJOPMGONNMPK-UHFFFAOYSA-N 0 0 317.429 3.210 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000371240431 434659475 /nfs/dbraw/zinc/65/94/75/434659475.db2.gz UPTBCEPUUWIIFQ-SJLPKXTDSA-N 0 0 312.413 3.220 10 30 DGEERN C=CCC1(c2nc(COc3cccc(F)c3)no2)CCOCC1 ZINC000424215671 434659998 /nfs/dbraw/zinc/65/99/98/434659998.db2.gz DYSDJUJBGOCCTC-UHFFFAOYSA-N 0 0 318.348 3.412 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCO[C@H](CC)C1 ZINC000424250197 434667416 /nfs/dbraw/zinc/66/74/16/434667416.db2.gz PILCOSQFZFDGSE-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC[C@H](OC)C1 ZINC000424260687 434669204 /nfs/dbraw/zinc/66/92/04/434669204.db2.gz ZEUCQAAGCHIJIB-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCN(CCOC)c1nnc([C@H]2CCCS2)n1CC(C)C ZINC000424282015 434674406 /nfs/dbraw/zinc/67/44/06/434674406.db2.gz KMPRIJOAJZBFMX-CQSZACIVSA-N 0 0 324.494 3.141 10 30 DGEERN C=C(C)CCNC(=O)c1cccc(OCc2cscn2)c1 ZINC000452720734 434690848 /nfs/dbraw/zinc/69/08/48/434690848.db2.gz 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/nfs/dbraw/zinc/71/40/54/434714054.db2.gz UJHSLQHEVZBLLB-UHFFFAOYSA-N 0 0 310.397 3.150 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(Cl)cc1COC ZINC000424529995 434732482 /nfs/dbraw/zinc/73/24/82/434732482.db2.gz GOHWVOVEBMGOES-CYBMUJFWSA-N 0 0 322.836 3.487 10 30 DGEERN C=CCOCCNC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000371641242 434732584 /nfs/dbraw/zinc/73/25/84/434732584.db2.gz DTLGYISZRUGNHM-AWEZNQCLSA-N 0 0 324.808 3.056 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000424529243 434733070 /nfs/dbraw/zinc/73/30/70/434733070.db2.gz RTMVMNNYRSULIR-UHFFFAOYSA-N 0 0 304.346 3.215 10 30 DGEERN C=CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000460042314 434738786 /nfs/dbraw/zinc/73/87/86/434738786.db2.gz DQPKXVVLOIOIKX-KRWDZBQOSA-N 0 0 314.429 3.001 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC000424556882 434739590 /nfs/dbraw/zinc/73/95/90/434739590.db2.gz HRFRXSCHMPHALJ-QWHCGFSZSA-N 0 0 319.380 3.461 10 30 DGEERN C=CCC1(C(=O)N(C)CCc2ccccc2OC)CCOCC1 ZINC000424651468 434769533 /nfs/dbraw/zinc/76/95/33/434769533.db2.gz VKONSPLXXDOHJE-UHFFFAOYSA-N 0 0 317.429 3.069 10 30 DGEERN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(CC)CC ZINC000460557783 434762233 /nfs/dbraw/zinc/76/22/33/434762233.db2.gz XZYSJHBMYHCWDF-MRXNPFEDSA-N 0 0 312.417 3.377 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H](C)C1CC1 ZINC000460568697 434763039 /nfs/dbraw/zinc/76/30/39/434763039.db2.gz YFEYEZVPHDKLGM-CQSZACIVSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H]2C[C@H](OCC)C2(C)C)CCOCC1 ZINC000424679976 434777020 /nfs/dbraw/zinc/77/70/20/434777020.db2.gz JXSKKZKLRKLMLB-GJZGRUSLSA-N 0 0 309.450 3.021 10 30 DGEERN C=CCC1(C(=O)Nc2nc3cc(F)ccc3n2C)CCOCC1 ZINC000424688441 434779901 /nfs/dbraw/zinc/77/99/01/434779901.db2.gz CXIFKENADUNWBU-UHFFFAOYSA-N 0 0 317.364 3.024 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CCOCC1 ZINC000424728201 434789483 /nfs/dbraw/zinc/78/94/83/434789483.db2.gz ALYPXFYVNDBICF-KSZLIROESA-N 0 0 311.425 3.061 10 30 DGEERN C=CCC1(C(=O)N(C)[C@H]2C[C@@H](OCC)C23CCC3)CCOCC1 ZINC000424730545 434789546 /nfs/dbraw/zinc/78/95/46/434789546.db2.gz DWZPKMCOIODLCY-JKSUJKDBSA-N 0 0 321.461 3.165 10 30 DGEERN C=CCOCC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000361080590 434789825 /nfs/dbraw/zinc/78/98/25/434789825.db2.gz SVJUBHQXFULFPA-UHFFFAOYSA-N 0 0 301.308 3.170 10 30 DGEERN C=CCC1(C(=O)N2CCc3c4ccccc4[nH]c3C2)CCOCC1 ZINC000424747769 434794779 /nfs/dbraw/zinc/79/47/79/434794779.db2.gz HAOWATTZGIEPTE-UHFFFAOYSA-N 0 0 324.424 3.426 10 30 DGEERN C=CCCN(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424800657 434805381 /nfs/dbraw/zinc/80/53/81/434805381.db2.gz WOBMGUXMJJIDQJ-UHFFFAOYSA-N 0 0 323.190 3.167 10 30 DGEERN C=CCC1(C(=O)Nc2cnn([C@@H](C)CC)c2C)CCOCC1 ZINC000424803463 434807266 /nfs/dbraw/zinc/80/72/66/434807266.db2.gz MLQVYIQGDFUZQF-ZDUSSCGKSA-N 0 0 305.422 3.474 10 30 DGEERN C=C(C)C(C)(C)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000424829381 434812753 /nfs/dbraw/zinc/81/27/53/434812753.db2.gz OPFHTXSUHYAZCZ-UHFFFAOYSA-N 0 0 300.358 3.495 10 30 DGEERN C=CCC1(C(=O)N(C)CCc2ccccc2C)CCOCC1 ZINC000424856584 434818118 /nfs/dbraw/zinc/81/81/18/434818118.db2.gz VUCWZQDUOXKJCG-UHFFFAOYSA-N 0 0 301.430 3.369 10 30 DGEERN C=CCOc1ccc(Cc2nc([C@@H]3CCOC[C@H]3C)no2)cc1 ZINC000453173330 434821701 /nfs/dbraw/zinc/82/17/01/434821701.db2.gz LYIXOLLDJDOPDH-CZUORRHYSA-N 0 0 314.385 3.365 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000424922401 434829325 /nfs/dbraw/zinc/82/93/25/434829325.db2.gz HLAFSCPSGJIAPV-RDJZCZTQSA-N 0 0 317.404 3.246 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000424930909 434829677 /nfs/dbraw/zinc/82/96/77/434829677.db2.gz HWMWTJPBAWYOSU-BZSNNMDCSA-N 0 0 301.430 3.209 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC000424933683 434829748 /nfs/dbraw/zinc/82/97/48/434829748.db2.gz RPDQRJLEBJKPRV-HFTRVMKXSA-N 0 0 317.429 3.286 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000424935157 434829835 /nfs/dbraw/zinc/82/98/35/434829835.db2.gz WYMQMGUWVOJZKY-YDHLFZDLSA-N 0 0 323.820 3.123 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)CSc1ccccc1 ZINC000424934920 434830238 /nfs/dbraw/zinc/83/02/38/434830238.db2.gz WBRNXJGKLNRHAE-YCPHGPKFSA-N 0 0 305.443 3.122 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CSCc1ccccc1 ZINC000424931750 434830275 /nfs/dbraw/zinc/83/02/75/434830275.db2.gz LERDPXVTJRECRQ-XIRDDKMYSA-N 0 0 319.470 3.263 10 30 DGEERN C=CCCc1noc(CNC(=O)c2cc3c(s2)CCCC3)n1 ZINC000453248389 434840177 /nfs/dbraw/zinc/84/01/77/434840177.db2.gz QLAOCDILXFINBY-UHFFFAOYSA-N 0 0 317.414 3.059 10 30 DGEERN C=CCOc1cccc(NC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000446221802 434854555 /nfs/dbraw/zinc/85/45/55/434854555.db2.gz JFBRKGJSXORURY-BFHYXJOUSA-N 0 0 304.390 3.281 10 30 DGEERN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000521323754 434880411 /nfs/dbraw/zinc/88/04/11/434880411.db2.gz OCNVQPHSHRPCCF-IAGOWNOFSA-N 0 0 319.412 3.382 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1nc2ccccc2c(=O)[nH]1 ZINC000521805555 434895780 /nfs/dbraw/zinc/89/57/80/434895780.db2.gz IZCHQWVYGUOSIU-UHFFFAOYSA-N 0 0 321.336 3.153 10 30 DGEERN C=CCCCCCNC(=O)Nc1cccc2c1CCN2C(C)=O ZINC000573016240 434868665 /nfs/dbraw/zinc/86/86/65/434868665.db2.gz LNEBNWFJKYEJAV-UHFFFAOYSA-N 0 0 315.417 3.464 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000573024876 434870000 /nfs/dbraw/zinc/87/00/00/434870000.db2.gz MGMHBYLKDBOLCA-LBPRGKRZSA-N 0 0 320.364 3.493 10 30 DGEERN C=CCCC[C@H](C)N1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000461208664 434873467 /nfs/dbraw/zinc/87/34/67/434873467.db2.gz URKGBTCLHYESDA-SJCJKPOMSA-N 0 0 304.365 3.338 10 30 DGEERN C=CC[C@H]1N(S(=O)(=O)CC2(C#N)CCC2)CCCC1(C)C ZINC000554901142 434952937 /nfs/dbraw/zinc/95/29/37/434952937.db2.gz WEFCWNZMWXRBNF-CQSZACIVSA-N 0 0 310.463 3.077 10 30 DGEERN C=CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000463777707 434969290 /nfs/dbraw/zinc/96/92/90/434969290.db2.gz VIPLTQLLCORADJ-MOPGFXCFSA-N 0 0 312.457 3.432 10 30 DGEERN 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DGEERN CCOC(=O)Cc1cc(Br)cc(C(F)F)c1C#N ZINC000575341636 435030705 /nfs/dbraw/zinc/03/07/05/435030705.db2.gz XSTQGSHMZCEFGA-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN COC(=O)Cc1cc(C(F)F)cc(OC(F)(F)F)c1C#N ZINC000575344005 435031110 /nfs/dbraw/zinc/03/11/10/435031110.db2.gz LZEXCZQUYNMWPL-UHFFFAOYSA-N 0 0 309.190 3.110 10 30 DGEERN CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1OC(F)F ZINC000575386834 435033988 /nfs/dbraw/zinc/03/39/88/435033988.db2.gz KDSGUQYQZCJYIG-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1C(F)(F)F ZINC000575386920 435034008 /nfs/dbraw/zinc/03/40/08/435034008.db2.gz PYFASMUEIOZKLS-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)F)c1C(F)F ZINC000575385458 435034310 /nfs/dbraw/zinc/03/43/10/435034310.db2.gz RTMZFDXHWYKANN-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1Br ZINC000575383645 435032888 /nfs/dbraw/zinc/03/28/88/435032888.db2.gz DBHPFCMLTLPXPI-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCc1c(CC(=O)OC)ccc(SC(F)(F)F)c1C#N ZINC000575389619 435034058 /nfs/dbraw/zinc/03/40/58/435034058.db2.gz MTTYTSJMNKGBTB-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)Cc1c(Br)c(C#N)ccc1C(F)F ZINC000575382766 435032986 /nfs/dbraw/zinc/03/29/86/435032986.db2.gz UJPHLVQALVLQKF-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN CCOC(=O)c1cc(C(F)(F)F)cc(OC(F)F)c1C#N ZINC000575386977 435034661 /nfs/dbraw/zinc/03/46/61/435034661.db2.gz UEPCOQUXBJSQMY-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000556497724 435010148 /nfs/dbraw/zinc/01/01/48/435010148.db2.gz WBJLEATUHITKMZ-IAGOWNOFSA-N 0 0 311.385 3.100 10 30 DGEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(Cl)c1C#N ZINC000575383325 435033375 /nfs/dbraw/zinc/03/33/75/435033375.db2.gz PIWFEDGTIUVUFQ-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CCOC(=O)Cc1cc(Cl)c(C#N)c(OC(F)(F)F)c1 ZINC000575383392 435033397 /nfs/dbraw/zinc/03/33/97/435033397.db2.gz SDECXMLLKTTZSB-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COc1ccc(CC(C)(C)NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000527335862 435011859 /nfs/dbraw/zinc/01/18/59/435011859.db2.gz IGLHBWKKSBOOOI-UHFFFAOYSA-N 0 0 322.408 3.247 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000557573767 435058676 /nfs/dbraw/zinc/05/86/76/435058676.db2.gz MGKIPILILBXWTP-SNVBAGLBSA-N 0 0 320.318 3.719 10 30 DGEERN CCCCO[C@H]1C[C@H](NC(=O)Cc2cccc(C#N)c2)C1(C)C ZINC000530916786 435059118 /nfs/dbraw/zinc/05/91/18/435059118.db2.gz LVPLDUODUYTGCX-IRXDYDNUSA-N 0 0 314.429 3.201 10 30 DGEERN Cc1cc(C#N)nc(N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000557573766 435059311 /nfs/dbraw/zinc/05/93/11/435059311.db2.gz MGKIPILILBXWTP-JTQLQIEISA-N 0 0 320.318 3.719 10 30 DGEERN COCCOc1ccc(NC(=O)Cc2cccc(C#N)c2)c(C)c1 ZINC000530908403 435059393 /nfs/dbraw/zinc/05/93/93/435059393.db2.gz HEJFUECIGNUFIX-UHFFFAOYSA-N 0 0 324.380 3.073 10 30 DGEERN COc1ccc(F)cc1[C@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000530908068 435060181 /nfs/dbraw/zinc/06/01/81/435060181.db2.gz LMYWMYQXVMYMJY-LBPRGKRZSA-N 0 0 312.344 3.126 10 30 DGEERN N#CC1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000577579220 435060530 /nfs/dbraw/zinc/06/05/30/435060530.db2.gz QYGCTADSRFHGCT-NEPJUHHUSA-N 0 0 324.302 3.109 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577559255 435061503 /nfs/dbraw/zinc/06/15/03/435061503.db2.gz WIRBTIMQMAYVDJ-KRWDZBQOSA-N 0 0 315.373 3.337 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000466386771 435074443 /nfs/dbraw/zinc/07/44/43/435074443.db2.gz SBWCGRHLJNAMBB-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000531154362 435076246 /nfs/dbraw/zinc/07/62/46/435076246.db2.gz HFSXEJPKWIEOFH-SFHVURJKSA-N 0 0 307.397 3.193 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575386684 435034685 /nfs/dbraw/zinc/03/46/85/435034685.db2.gz AGGLAAXHCRNOCA-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529246483 435035046 /nfs/dbraw/zinc/03/50/46/435035046.db2.gz KYEPQSZKIKUWCI-SPUZQDLCSA-N 0 0 317.404 3.417 10 30 DGEERN CCOC(=O)Cc1cc(C=O)cc(C#N)c1SC(F)(F)F ZINC000575391819 435035100 /nfs/dbraw/zinc/03/51/00/435035100.db2.gz WSBDVCPKPLUWDS-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575393491 435035132 /nfs/dbraw/zinc/03/51/32/435035132.db2.gz CPUNMIYLGKFYHU-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1ccc(C=O)c(C#N)c1SC(F)(F)F ZINC000575391469 435035268 /nfs/dbraw/zinc/03/52/68/435035268.db2.gz NESCHIQZSQIRMF-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C)CCC(F)(F)CC1 ZINC000529243962 435035263 /nfs/dbraw/zinc/03/52/63/435035263.db2.gz JEHYODQSIYHHTC-QWHCGFSZSA-N 0 0 301.377 3.299 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000529243759 435035545 /nfs/dbraw/zinc/03/55/45/435035545.db2.gz HMURULGYWQSTOH-ONGXEEELSA-N 0 0 319.348 3.478 10 30 DGEERN CCc1cc(C#N)c(SC(F)(F)F)cc1CC(=O)OC ZINC000575389917 435035587 /nfs/dbraw/zinc/03/55/87/435035587.db2.gz VIFGBNCOXFDTDV-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)Cc1ccc(C=O)c(C#N)c1SC(F)(F)F ZINC000575391532 435035693 /nfs/dbraw/zinc/03/56/93/435035693.db2.gz PXZRUVDGYILWGR-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN Cc1c(I)ccc(OC(F)F)c1CC#N ZINC000575664268 435040809 /nfs/dbraw/zinc/04/08/09/435040809.db2.gz WCLZDVKFCWYRQG-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN CCOc1c(I)cc(C(F)F)cc1C#N ZINC000575665692 435041153 /nfs/dbraw/zinc/04/11/53/435041153.db2.gz GHTIAYBLHGNPGM-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#Cc1cc(I)cc(C(F)F)c1[N+](=O)[O-] ZINC000575670437 435042397 /nfs/dbraw/zinc/04/23/97/435042397.db2.gz FZVRTPFZGCXWFK-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN COc1cc(Br)cc(CC#N)c1Br ZINC000575694742 435045680 /nfs/dbraw/zinc/04/56/80/435045680.db2.gz NUYPGRZJWBVGGN-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN CCOc1cc(I)c(CC#N)cc1C ZINC000575697354 435046385 /nfs/dbraw/zinc/04/63/85/435046385.db2.gz CNKGUNBAVNCCHA-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN COc1cc(I)c(CC#N)cc1SC ZINC000575708044 435048873 /nfs/dbraw/zinc/04/88/73/435048873.db2.gz GOCAATUKROFKOY-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COc1ccc(CC#N)c(SC)c1I ZINC000575708646 435049115 /nfs/dbraw/zinc/04/91/15/435049115.db2.gz NKHHJOPPXALBHM-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COc1cc(CC#N)cc(SC)c1I ZINC000575709372 435049304 /nfs/dbraw/zinc/04/93/04/435049304.db2.gz WENKSFSFMLLXCM-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COc1ccc(SC)c(I)c1CC#N ZINC000575707527 435049445 /nfs/dbraw/zinc/04/94/45/435049445.db2.gz ACDOPKRJGVELBQ-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN COc1ccc(Cl)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000531384664 435090202 /nfs/dbraw/zinc/09/02/02/435090202.db2.gz OOJGBSARVJCIFC-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000575784826 435051897 /nfs/dbraw/zinc/05/18/97/435051897.db2.gz ULJQCFDMNUKETB-ZDUSSCGKSA-N 0 0 314.389 3.038 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@H](C)C(C)(C)C)c(OC)c1 ZINC000576044885 435054759 /nfs/dbraw/zinc/05/47/59/435054759.db2.gz HBOIHSFJTMYKGB-CYBMUJFWSA-N 0 0 305.418 3.353 10 30 DGEERN Cc1cc(C#N)nc(NCCc2cc(Cl)cc(Cl)c2)n1 ZINC000557526742 435055665 /nfs/dbraw/zinc/05/56/65/435055665.db2.gz JTJKRBIOJAQFGM-UHFFFAOYSA-N 0 0 307.184 3.618 10 30 DGEERN N#CC1CCC(CNC(=O)c2ccnc(OC3CCC3)c2)CC1 ZINC000558666575 435105243 /nfs/dbraw/zinc/10/52/43/435105243.db2.gz YKJRAXLETMEBCH-UHFFFAOYSA-N 0 0 313.401 3.073 10 30 DGEERN CCOC(=O)CN(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000467187517 435110281 /nfs/dbraw/zinc/11/02/81/435110281.db2.gz SESRUAQADGWXRP-UHFFFAOYSA-N 0 0 305.805 3.109 10 30 DGEERN CCO[C@@H]1C[C@H](N(C)c2nc(C)cc(C#N)n2)C1(CC)CC ZINC000561223630 435206622 /nfs/dbraw/zinc/20/66/22/435206622.db2.gz CIWIRFXEABMCBB-LSDHHAIUSA-N 0 0 302.422 3.077 10 30 DGEERN N#Cc1ccncc1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000561639797 435227661 /nfs/dbraw/zinc/22/76/61/435227661.db2.gz HDLDRZPRIYFCHG-CTYIDZIISA-N 0 0 311.772 3.283 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000583513151 435243273 /nfs/dbraw/zinc/24/32/73/435243273.db2.gz QSZILDBEYOHFAD-MSOLQXFVSA-N 0 0 317.429 3.415 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000476904819 435249529 /nfs/dbraw/zinc/24/95/29/435249529.db2.gz UFUYPAWORTZASU-QWRGUYRKSA-N 0 0 310.385 3.278 10 30 DGEERN C=CCCCCCNC(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC000567402998 435315627 /nfs/dbraw/zinc/31/56/27/435315627.db2.gz DAVONZCSZIYDRN-UHFFFAOYSA-N 0 0 323.481 3.069 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000567725403 435346608 /nfs/dbraw/zinc/34/66/08/435346608.db2.gz GNPPZRGWPNDDIP-XZJROXQQSA-N 0 0 320.820 3.218 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000567380708 435313096 /nfs/dbraw/zinc/31/30/96/435313096.db2.gz UZNSWQIIDBKVJJ-NHYWBVRUSA-N 0 0 324.371 3.090 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)COc1ccccc1OC ZINC000480122190 435366850 /nfs/dbraw/zinc/36/68/50/435366850.db2.gz JCTMOGGXBWQHMH-OAHLLOKOSA-N 0 0 320.433 3.318 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000513645378 435397065 /nfs/dbraw/zinc/39/70/65/435397065.db2.gz KSISROMCVRTZFN-JKSUJKDBSA-N 0 0 302.418 3.450 10 30 DGEERN C=CCOc1ccc(CN2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000537615146 435454073 /nfs/dbraw/zinc/45/40/73/435454073.db2.gz ULUPXDGHWKFXPL-KRWDZBQOSA-N 0 0 303.402 3.167 10 30 DGEERN C=CCCCNC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000514992304 435454077 /nfs/dbraw/zinc/45/40/77/435454077.db2.gz OGEBBUCOBAFZAR-OAHLLOKOSA-N 0 0 309.841 3.208 10 30 DGEERN C=CCCCNC(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000514992302 435454461 /nfs/dbraw/zinc/45/44/61/435454461.db2.gz OGEBBUCOBAFZAR-HNNXBMFYSA-N 0 0 309.841 3.208 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@](F)(c3ccccc3)C2)CCOCC1 ZINC000515833837 435505504 /nfs/dbraw/zinc/50/55/04/435505504.db2.gz WTLVYHGJQMWXEN-IBGZPJMESA-N 0 0 317.404 3.457 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H](CO)[C@H](C)CCC)c1 ZINC000569247584 435516750 /nfs/dbraw/zinc/51/67/50/435516750.db2.gz BTFJQLMOVNPWIE-CZUORRHYSA-N 0 0 306.406 3.170 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000538222612 435488060 /nfs/dbraw/zinc/48/80/60/435488060.db2.gz HNDGZPICVQXCQQ-CQSZACIVSA-N 0 0 307.393 3.172 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)Nc1cn(C)nc1C(C)C ZINC000515747966 435500235 /nfs/dbraw/zinc/50/02/35/435500235.db2.gz LDLWLPNGVMLDDH-UHFFFAOYSA-N 0 0 313.361 3.068 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000539388231 435551688 /nfs/dbraw/zinc/55/16/88/435551688.db2.gz KYTIQUHGEUAWJL-HNNXBMFYSA-N 0 0 323.481 3.021 10 30 DGEERN C=CCN1CC[C@H](Nc2c(F)cc(Cl)c(C)c2F)C1=O ZINC000539711399 435563916 /nfs/dbraw/zinc/56/39/16/435563916.db2.gz LXTOHWYQHQHDHT-NSHDSACASA-N 0 0 300.736 3.125 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H]1c1cccc(OCC)c1 ZINC000486142527 435590538 /nfs/dbraw/zinc/59/05/38/435590538.db2.gz IKDTVBNONYAZOW-BRSBDYLESA-N 0 0 315.413 3.039 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000570325640 435608283 /nfs/dbraw/zinc/60/82/83/435608283.db2.gz LQLDYDJYUXIDJV-ZBEGNZNMSA-N 0 0 313.788 3.185 10 30 DGEERN C=CCCCCCNC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000570407641 435617225 /nfs/dbraw/zinc/61/72/25/435617225.db2.gz HSONOMVICMZSEZ-BBRMVZONSA-N 0 0 308.397 3.293 10 30 DGEERN CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000541864563 435645522 /nfs/dbraw/zinc/64/55/22/435645522.db2.gz YVYUJYVOSICXIR-KRWDZBQOSA-N 0 0 320.364 3.050 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490525491 435660550 /nfs/dbraw/zinc/66/05/50/435660550.db2.gz CJBSKZNZWNCWKR-GFCCVEGCSA-N 0 0 304.321 3.144 10 30 DGEERN C=CCOCC(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000519103926 435670176 /nfs/dbraw/zinc/67/01/76/435670176.db2.gz NPPUHPMRCFJFMS-UHFFFAOYSA-N 0 0 316.426 3.492 10 30 DGEERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000173208147 300060816 /nfs/dbraw/zinc/06/08/16/300060816.db2.gz ZTOKGKVZUNIYGL-QWRGUYRKSA-N 0 0 312.822 3.021 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000571160679 435681860 /nfs/dbraw/zinc/68/18/60/435681860.db2.gz QMGDQONMXLYRJN-ZLIFDBKOSA-N 0 0 318.392 3.093 10 30 DGEERN N#Cc1cnccc1NCCc1csc(-c2ccccc2)n1 ZINC000548490162 435698692 /nfs/dbraw/zinc/69/86/92/435698692.db2.gz BHQJBNSGVLXDQY-UHFFFAOYSA-N 0 0 306.394 3.153 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1ccnc(C)c1Br ZINC000571949186 435761161 /nfs/dbraw/zinc/76/11/61/435761161.db2.gz NASSEIKPJALWTE-NSHDSACASA-N 0 0 324.222 3.147 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3nccc4[nH]ccc43)no2)c1 ZINC000551433821 435833799 /nfs/dbraw/zinc/83/37/99/435833799.db2.gz DLHONTDDOQSPFB-UHFFFAOYSA-N 0 0 301.309 3.075 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](C[C@@]4(CO4)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000044964020 300874815 /nfs/dbraw/zinc/87/48/15/300874815.db2.gz ODMZYNAXKLSHLW-WMQBWSBWSA-N 0 0 314.425 3.034 10 30 in-vitro DGEERN Cc1cc(C#N)cc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 ZINC000408004537 301073558 /nfs/dbraw/zinc/07/35/58/301073558.db2.gz MOQMZUUJKBHERN-QGZVFWFLSA-N 0 0 321.428 3.216 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339788284 303176759 /nfs/dbraw/zinc/17/67/59/303176759.db2.gz MZGJZJRMETXUSH-SUMWQHHRSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1F ZINC000343769782 303191128 /nfs/dbraw/zinc/19/11/28/303191128.db2.gz JZGFCNJADDPZIJ-SJLPKXTDSA-N 0 0 314.335 3.144 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(OCC(F)F)n1 ZINC000133563025 312671113 /nfs/dbraw/zinc/67/11/13/312671113.db2.gz LSUBXHYHAMGBPY-UHFFFAOYSA-N 0 0 317.295 3.158 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC/C=C/c1ccccc1 ZINC000171993244 312738707 /nfs/dbraw/zinc/73/87/07/312738707.db2.gz PAQCGHPBXGBWBL-VSGCLNPGSA-N 0 0 306.365 3.155 10 30 DGEERN CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1cccc(C#N)c1 ZINC000531153684 313436418 /nfs/dbraw/zinc/43/64/18/313436418.db2.gz OGZPTHRWYWUSKA-SFHVURJKSA-N 0 0 320.392 3.303 10 30 DGEERN C[C@H](NC(=O)Cc1cccc(C#N)c1)c1cccc(F)c1F ZINC000535042557 313694280 /nfs/dbraw/zinc/69/42/80/313694280.db2.gz KATMXNOJOIPDFS-NSHDSACASA-N 0 0 300.308 3.256 10 30 DGEERN COC(=O)c1cccc(CNc2cccc3c2OCCC3)c1C#N ZINC000535137589 313701846 /nfs/dbraw/zinc/70/18/46/313701846.db2.gz IYBLEKMELZDRSQ-UHFFFAOYSA-N 0 0 322.364 3.282 10 30 DGEERN CCC(CC)[C@@H]1C[C@@H](NC(=O)Cc2cccc(C#N)c2)CCO1 ZINC000539800794 313931272 /nfs/dbraw/zinc/93/12/72/313931272.db2.gz LXHLBFQETIPRQY-ROUUACIJSA-N 0 0 314.429 3.201 10 30 DGEERN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccc(C#N)cc1F ZINC000543754911 314156286 /nfs/dbraw/zinc/15/62/86/314156286.db2.gz KUXUDBIHASSIAM-GFCCVEGCSA-N 0 0 307.332 3.451 10 30 DGEERN N#Cc1cccc(CC(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000545217414 314234569 /nfs/dbraw/zinc/23/45/69/314234569.db2.gz SYEPCVLLJCLFKM-OAHLLOKOSA-N 0 0 316.360 3.208 10 30 DGEERN Cc1ccccc1OCc1noc(Cc2cccc(C#N)c2)n1 ZINC000546447773 314306236 /nfs/dbraw/zinc/30/62/36/314306236.db2.gz QJGULUQUQXJHJA-UHFFFAOYSA-N 0 0 305.337 3.420 10 30 DGEERN CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1cccc(C#N)c1 ZINC000546632592 314316739 /nfs/dbraw/zinc/31/67/39/314316739.db2.gz STHAZUFPKVQSTB-LJQANCHMSA-N 0 0 304.393 3.464 10 30 DGEERN CN(C)c1ccc(-c2noc(/C=C/c3cccc(C#N)c3)n2)cn1 ZINC000547078397 314342889 /nfs/dbraw/zinc/34/28/89/314342889.db2.gz VVCJOWKZMBJDOX-RMKNXTFCSA-N 0 0 317.352 3.240 10 30 DGEERN Cc1ccc(-c2nnc(Sc3ccncc3C#N)n2C)cc1 ZINC000548152273 314426189 /nfs/dbraw/zinc/42/61/89/314426189.db2.gz IFNZJXROVFIZNM-UHFFFAOYSA-N 0 0 307.382 3.208 10 30 DGEERN CCOc1c(Cl)cc(CNc2ccncc2C#N)cc1OC ZINC000548153511 314426972 /nfs/dbraw/zinc/42/69/72/314426972.db2.gz LUDCIAVAVKCAOX-UHFFFAOYSA-N 0 0 317.776 3.048 10 30 DGEERN CC(C)c1ccc(CN2CCN(c3ccncc3C#N)CC2)cc1 ZINC000558969857 314870281 /nfs/dbraw/zinc/87/02/81/314870281.db2.gz AGPPRJPHZWDCIN-UHFFFAOYSA-N 0 0 320.440 3.399 10 30 DGEERN C[C@@](O)(CNC(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC000564021599 315153186 /nfs/dbraw/zinc/15/31/86/315153186.db2.gz JYSXJNHDCYGIGU-QGZVFWFLSA-N 0 0 320.820 3.273 10 30 DGEERN Cc1cc(CCNc2c(C#N)cnc3c(C)cc(C)cc32)on1 ZINC000564237883 315164211 /nfs/dbraw/zinc/16/42/11/315164211.db2.gz WQJLMKWPHQDYTB-UHFFFAOYSA-N 0 0 306.369 3.096 10 30 DGEERN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1nnc2ccccn21 ZINC000570140578 315627367 /nfs/dbraw/zinc/62/73/67/315627367.db2.gz MFTDOZHZEKKOMO-QGZVFWFLSA-N 0 0 317.396 3.158 10 30 DGEERN C=CCCCCCNC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570525051 332767793 /nfs/dbraw/zinc/76/77/93/332767793.db2.gz GCCKEKIWFSDFAL-AWEZNQCLSA-N 0 0 310.438 3.106 10 30 DGEERN CCCc1cnc(NC(=O)[C@@H](C)Oc2ccccc2C#N)s1 ZINC000180259158 323225280 /nfs/dbraw/zinc/22/52/80/323225280.db2.gz VRZIQFPOLCDCLD-LLVKDONJSA-N 0 0 315.398 3.373 10 30 DGEERN CN(C(=O)c1ncsc1Br)c1cccc(C#N)c1 ZINC000580112578 323960591 /nfs/dbraw/zinc/96/05/91/323960591.db2.gz JDAJGCAPBYHUFQ-UHFFFAOYSA-N 0 0 322.187 3.054 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000583970069 331499741 /nfs/dbraw/zinc/49/97/41/331499741.db2.gz JGYNNCITBIRDDI-KRWDZBQOSA-N 0 0 308.356 3.256 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CC[C@H](C(=O)N(CC)CC(=C)C)C1 ZINC000298020717 331622615 /nfs/dbraw/zinc/62/26/15/331622615.db2.gz DETBRJCKUPEGNJ-CALCHBBNSA-N 0 0 320.477 3.252 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000517558676 331707799 /nfs/dbraw/zinc/70/77/99/331707799.db2.gz FLEJXUDOLSRNJA-OTRWWLKZSA-N 0 0 302.418 3.069 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000518048513 331988272 /nfs/dbraw/zinc/98/82/72/331988272.db2.gz QJGNOQBLXITGQT-IUODEOHRSA-N 0 0 317.414 3.068 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(OC(F)F)cn1 ZINC000569352990 332023382 /nfs/dbraw/zinc/02/33/82/332023382.db2.gz JTAWPXAHWAWDJF-UHFFFAOYSA-N 0 0 313.348 3.229 10 30 DGEERN C=CCCCCCNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000569590859 332147873 /nfs/dbraw/zinc/14/78/73/332147873.db2.gz PSCQSEHWIUMRGR-UHFFFAOYSA-N 0 0 322.352 3.125 10 30 DGEERN C=CC[C@@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181646907 332205867 /nfs/dbraw/zinc/20/58/67/332205867.db2.gz CDMMDHOFTSFZBU-SECBINFHSA-N 0 0 308.230 3.377 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000292911204 335097879 /nfs/dbraw/zinc/09/78/79/335097879.db2.gz KVOCKBPLEWJSTR-UHFFFAOYSA-N 0 0 300.362 3.460 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(C2CCC2)CCC1 ZINC000560413999 332337943 /nfs/dbraw/zinc/33/79/43/332337943.db2.gz GCUPHSJALUXNGY-GOEBONIOSA-N 0 0 306.450 3.237 10 30 DGEERN CCCCCCCCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135274158 332618103 /nfs/dbraw/zinc/61/81/03/332618103.db2.gz BQLAIHQSCCYCJK-MRXNPFEDSA-N 0 0 318.465 3.312 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000580132482 332952675 /nfs/dbraw/zinc/95/26/75/332952675.db2.gz OQXPMJRZJNPRRU-ZQIUZPCESA-N 0 0 324.428 3.375 10 30 DGEERN Cn1c(CNc2ccccc2SCCC#N)nnc1C1CC1 ZINC000170982963 333043485 /nfs/dbraw/zinc/04/34/85/333043485.db2.gz TXBXFWPJMZIILN-UHFFFAOYSA-N 0 0 313.430 3.310 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000185184774 335118250 /nfs/dbraw/zinc/11/82/50/335118250.db2.gz PICOUJYTKRSUNM-AWEZNQCLSA-N 0 0 300.402 3.350 10 30 DGEERN O=c1ccc(-c2ccccc2F)nn1CC#Cc1ccccc1 ZINC000187967247 333155164 /nfs/dbraw/zinc/15/51/64/333155164.db2.gz NGGOACHEAPCTDA-UHFFFAOYSA-N 0 0 304.324 3.101 10 30 DGEERN N#CCCn1ncc(C(=O)N2CCC23CCC3)c1-c1ccccc1 ZINC000582039370 333180594 /nfs/dbraw/zinc/18/05/94/333180594.db2.gz JVXFSEXCEHFQSK-UHFFFAOYSA-N 0 0 320.396 3.232 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NCCC1(COC)CC1 ZINC000563047962 333182408 /nfs/dbraw/zinc/18/24/08/333182408.db2.gz DXIILIKRWPZQLM-UHFFFAOYSA-N 0 0 320.408 3.340 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C#N)cc1 ZINC000062888530 333340006 /nfs/dbraw/zinc/34/00/06/333340006.db2.gz COSVMGQYCFRFCP-UHFFFAOYSA-N 0 0 321.336 3.295 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000188426233 333366591 /nfs/dbraw/zinc/36/65/91/333366591.db2.gz OJYPBNVPXGDFQY-DNVCBOLYSA-N 0 0 316.445 3.383 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000185731668 335147359 /nfs/dbraw/zinc/14/73/59/335147359.db2.gz JRHKNBNVAVYFSO-GFCCVEGCSA-N 0 0 311.389 3.081 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C)OCC ZINC000534408830 333585048 /nfs/dbraw/zinc/58/50/48/333585048.db2.gz BEMWVTVAPCPAOG-BDEJMISXSA-N 0 0 317.429 3.427 10 30 DGEERN CCCC[C@@H](NC(=O)C1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000161093859 333807347 /nfs/dbraw/zinc/80/73/47/333807347.db2.gz FKICZSNMDSUXKU-CQSZACIVSA-N 0 0 322.449 3.477 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000102058294 334375019 /nfs/dbraw/zinc/37/50/19/334375019.db2.gz WXHXJVZFDFYLKD-OAHLLOKOSA-N 0 0 315.421 3.034 10 30 DGEERN C=CCN(C(=O)[C@H]1CC[C@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000345148284 335301320 /nfs/dbraw/zinc/30/13/20/335301320.db2.gz VYFAXCYGMLFBJX-RYUDHWBXSA-N 0 0 322.430 3.275 10 30 DGEERN C=CCCCCCN1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000519420691 335847454 /nfs/dbraw/zinc/84/74/54/335847454.db2.gz NBJHBRBUJAWSNL-UHFFFAOYSA-N 0 0 322.355 3.475 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000520606100 335994216 /nfs/dbraw/zinc/99/42/16/335994216.db2.gz JFFONNYIIRFODR-UHFFFAOYSA-N 0 0 321.377 3.149 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000514637592 336387145 /nfs/dbraw/zinc/38/71/45/336387145.db2.gz RWRPOIHBZVSHNU-HKUYNNGSSA-N 0 0 301.430 3.327 10 30 DGEERN C=CCCOCCCCC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000356581694 336555225 /nfs/dbraw/zinc/55/52/25/336555225.db2.gz HBKZRNMFHBPIHW-INIZCTEOSA-N 0 0 321.392 3.008 10 30 DGEERN C=CC[C@@H](CC)NC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000373986027 336978490 /nfs/dbraw/zinc/97/84/90/336978490.db2.gz MQYRBGKBRDXXTF-MRXNPFEDSA-N 0 0 310.401 3.298 10 30 DGEERN C[C@@H]1CC[C@H](C)N(C(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188701778 337005223 /nfs/dbraw/zinc/00/52/23/337005223.db2.gz NWKGTCUCUBHVTL-KGLIPLIRSA-N 0 0 316.405 3.416 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000582828898 337206354 /nfs/dbraw/zinc/20/63/54/337206354.db2.gz ALSIOVYZFGADBP-DOTOQJQBSA-N 0 0 315.417 3.452 10 30 DGEERN C=CCOc1ccc(CN2C[C@H](C)NC(=O)c3ccccc32)cc1 ZINC000582877355 337209650 /nfs/dbraw/zinc/20/96/50/337209650.db2.gz MQJDDPLKMCKHGE-HNNXBMFYSA-N 0 0 322.408 3.390 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000583259573 337292525 /nfs/dbraw/zinc/29/25/25/337292525.db2.gz GDOPUKXEBYABOJ-BHYGNILZSA-N 0 0 320.408 3.413 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000583808563 337335813 /nfs/dbraw/zinc/33/58/13/337335813.db2.gz JBAZHRYTUFLPNE-ZFWWWQNUSA-N 0 0 324.371 3.189 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)CCC1CC1 ZINC000584578129 337367569 /nfs/dbraw/zinc/36/75/69/337367569.db2.gz PBHYGJFXYSEGRW-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN N#Cc1ccc([C@H](O)c2ccc(O)c(Br)c2)cc1 ZINC000584598950 337370643 /nfs/dbraw/zinc/37/06/43/337370643.db2.gz CPWJQHLIBGPJJF-AWEZNQCLSA-N 0 0 304.143 3.108 10 30 DGEERN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]45O[C@]35CC[C@@]21C ZINC000584602606 337371085 /nfs/dbraw/zinc/37/10/85/337371085.db2.gz RTBRBPAPQWBQKG-KOUJMVCDSA-N 0 0 302.414 3.155 10 30 DGEERN NC(=S)N(/N=C/c1nccc2ccccc21)c1ccccc1 ZINC000584605576 337371530 /nfs/dbraw/zinc/37/15/30/337371530.db2.gz VEDCOPUXYYDJNO-UDWIEESQSA-N 0 0 306.394 3.319 10 30 DGEERN COc1cc2c(cccc2CCOS(C)(=O)=O)cc1C(C)C ZINC000584620367 337372967 /nfs/dbraw/zinc/37/29/67/337372967.db2.gz DJTSKCLUXVCSEM-UHFFFAOYSA-N 0 0 322.426 3.491 10 30 DGEERN N#C[C@H](c1cccc(Br)c1)[C@H](CCO)c1cnco1 ZINC000584638514 337379653 /nfs/dbraw/zinc/37/96/53/337379653.db2.gz GTJIGMMNMWTUEQ-QWHCGFSZSA-N 0 0 321.174 3.210 10 30 DGEERN C[C@](C#N)(NC(=O)CSCc1cccc(Cl)c1)C1CC1 ZINC000049048344 337437140 /nfs/dbraw/zinc/43/71/40/337437140.db2.gz UGJJOUHKUCQRED-OAHLLOKOSA-N 0 0 308.834 3.382 10 30 DGEERN N#C[C@H](NC(=O)c1ccccc1OCc1cccs1)C1CC1 ZINC000161714933 337595885 /nfs/dbraw/zinc/59/58/85/337595885.db2.gz QFCJBHKHGDRIBI-HNNXBMFYSA-N 0 0 312.394 3.359 10 30 DGEERN N#CCN(Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000528362503 337803508 /nfs/dbraw/zinc/80/35/08/337803508.db2.gz FGRANEHLGKERKA-UHFFFAOYSA-N 0 0 301.134 3.215 10 30 DGEERN C=CCN(CC=C)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000120091624 337870221 /nfs/dbraw/zinc/87/02/21/337870221.db2.gz SDLRXBIBYXSHAE-UHFFFAOYSA-N 0 0 316.449 3.076 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000097207964 337944208 /nfs/dbraw/zinc/94/42/08/337944208.db2.gz ILBWAZQVQZVZIZ-MRXNPFEDSA-N 0 0 316.792 3.194 10 30 DGEERN C=CCOc1cccc(NC[C@H](O)COc2ccc(C)cc2)c1 ZINC000514856271 337972313 /nfs/dbraw/zinc/97/23/13/337972313.db2.gz BYEDECLZLKNNJW-KRWDZBQOSA-N 0 0 313.397 3.412 10 30 DGEERN C=CCn1c(CC)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC000514894189 337973524 /nfs/dbraw/zinc/97/35/24/337973524.db2.gz VSJBLRYHMYGZLT-KRWDZBQOSA-N 0 0 300.381 3.102 10 30 DGEERN C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@]1(C)CCCO1 ZINC000516248200 338008831 /nfs/dbraw/zinc/00/88/31/338008831.db2.gz NMEYZGUWKKPKBE-KRWDZBQOSA-N 0 0 314.389 3.242 10 30 DGEERN CC#CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000499000591 340027652 /nfs/dbraw/zinc/02/76/52/340027652.db2.gz LLENYHNVNUXVOU-CHWSQXEVSA-N 0 0 311.303 3.218 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000501316756 340078453 /nfs/dbraw/zinc/07/84/53/340078453.db2.gz NLMHGGPDRSRRIK-ZOBUZTSGSA-N 0 0 317.429 3.125 10 30 DGEERN CCCCO[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1(C)C ZINC000504405106 340147279 /nfs/dbraw/zinc/14/72/79/340147279.db2.gz ZIJZPUYMFNRRNE-LSDHHAIUSA-N 0 0 321.465 3.305 10 30 DGEERN C=CCCCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C ZINC000507921465 340235863 /nfs/dbraw/zinc/23/58/63/340235863.db2.gz IPULPCBAHLOHBV-ZDUSSCGKSA-N 0 0 318.396 3.497 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC000508467973 340244193 /nfs/dbraw/zinc/24/41/93/340244193.db2.gz ZXZQTBHTYVZBPS-DZGCQCFKSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@H](CCC)C1 ZINC000508496032 340244878 /nfs/dbraw/zinc/24/48/78/340244878.db2.gz BYAWMALHTZXFMA-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000508826402 340253852 /nfs/dbraw/zinc/25/38/52/340253852.db2.gz IPNHFDYGUVOYDK-ZIAGYGMSSA-N 0 0 311.433 3.317 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C)(C)C1 ZINC000508915669 340255732 /nfs/dbraw/zinc/25/57/32/340255732.db2.gz YCYDLDMKWKJRHS-INIZCTEOSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@H](OCC(C)C)C1 ZINC000508998312 340257611 /nfs/dbraw/zinc/25/76/11/340257611.db2.gz MSJVYKPOGNGAKL-INIZCTEOSA-N 0 0 320.481 3.304 10 30 DGEERN C=CCSCCNC(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000511851260 340340532 /nfs/dbraw/zinc/34/05/32/340340532.db2.gz YEQMNAIXKXADDX-UHFFFAOYSA-N 0 0 306.431 3.388 10 30 DGEERN C=C(CNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)c1ccccc1 ZINC000512659670 340371552 /nfs/dbraw/zinc/37/15/52/340371552.db2.gz JDIROEWVTPCUJC-DLBZAZTESA-N 0 0 316.445 3.138 10 30 DGEERN C=CCCCC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000175728532 340418295 /nfs/dbraw/zinc/41/82/95/340418295.db2.gz WLYHBPLOFHUTES-UHFFFAOYSA-N 0 0 306.475 3.311 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CCCCC1 ZINC000006466078 340457082 /nfs/dbraw/zinc/45/70/82/340457082.db2.gz AHIYXAQJQAGQKQ-UHFFFAOYSA-N 0 0 318.373 3.151 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC23CCCC3)cc1 ZINC000517212426 340465624 /nfs/dbraw/zinc/46/56/24/340465624.db2.gz SWABORLIUAZYPI-OAHLLOKOSA-N 0 0 313.401 3.057 10 30 DGEERN CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)C3CC3)c(C)c2c1 ZINC000521291842 340485170 /nfs/dbraw/zinc/48/51/70/340485170.db2.gz BXMIAMSEPMVKIQ-MRXNPFEDSA-N 0 0 324.380 3.295 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000185740622 340504804 /nfs/dbraw/zinc/50/48/04/340504804.db2.gz XFWBUWVIVNGBMR-RDJZCZTQSA-N 0 0 317.429 3.127 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000186052745 340507656 /nfs/dbraw/zinc/50/76/56/340507656.db2.gz OOHMPIRUGYWMHS-FUHWJXTLSA-N 0 0 301.430 3.449 10 30 DGEERN C[C@@H](C#N)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000521922725 340557470 /nfs/dbraw/zinc/55/74/70/340557470.db2.gz ODRMBEZLOZZTIB-DTWKUNHWSA-N 0 0 301.173 3.037 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000528939746 340740065 /nfs/dbraw/zinc/74/00/65/340740065.db2.gz RNGRIHOCTVICPD-ZWUHOBOKSA-N 0 0 304.390 3.185 10 30 DGEERN C=CCOc1cccc(NC(=O)NCC[C@@H]2CCCOC2)c1 ZINC000528940624 340740142 /nfs/dbraw/zinc/74/01/42/340740142.db2.gz ZNFBQTYQVNWJMY-AWEZNQCLSA-N 0 0 304.390 3.190 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H](c2cccc(C)c2)C(C)C)nn1 ZINC000530035181 340777747 /nfs/dbraw/zinc/77/77/47/340777747.db2.gz ZVJIRMYLAJHNPS-KRWDZBQOSA-N 0 0 312.417 3.290 10 30 DGEERN C=C[C@H](CC(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1)c1ccccc1 ZINC000530078478 340778940 /nfs/dbraw/zinc/77/89/40/340778940.db2.gz GZCWUQSFJBIPJN-PBHICJAKSA-N 0 0 323.396 3.206 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)C1CC1 ZINC000530405469 340790743 /nfs/dbraw/zinc/79/07/43/340790743.db2.gz FABQGZIRFYFYRL-UHFFFAOYSA-N 0 0 300.402 3.003 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000538282741 340816339 /nfs/dbraw/zinc/81/63/39/340816339.db2.gz NDFKZTSFEWQAIV-LLVKDONJSA-N 0 0 312.822 3.235 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000130237837 341007906 /nfs/dbraw/zinc/00/79/06/341007906.db2.gz OUWKSOHRCYUABR-NSHDSACASA-N 0 0 302.683 3.391 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543675998 341053522 /nfs/dbraw/zinc/05/35/22/341053522.db2.gz LMAQAVRAGOGVQF-HZPDHXFCSA-N 0 0 317.429 3.121 10 30 DGEERN C=CCC[C@@H](NC(=O)N(C[C@H](C)O)C(C)C)c1ccccc1 ZINC000130987548 341055763 /nfs/dbraw/zinc/05/57/63/341055763.db2.gz VRFYULIUEVMZSR-DOTOQJQBSA-N 0 0 304.434 3.495 10 30 DGEERN CC#CCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544579446 341087073 /nfs/dbraw/zinc/08/70/73/341087073.db2.gz RXGOSSSKDNPBOD-MRXNPFEDSA-N 0 0 313.445 3.023 10 30 DGEERN C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)C1CCOCC1 ZINC000132984694 341151063 /nfs/dbraw/zinc/15/10/63/341151063.db2.gz NFZMTIHFIFGXCW-BEFAXECRSA-N 0 0 314.429 3.080 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000547356263 341208501 /nfs/dbraw/zinc/20/85/01/341208501.db2.gz UBNBNRPKPLLSBI-SMDDNHRTSA-N 0 0 315.335 3.457 10 30 DGEERN C=CCOc1ccc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1 ZINC000134557075 341218206 /nfs/dbraw/zinc/21/82/06/341218206.db2.gz RWHKGGCABOFURM-MAUKXSAKSA-N 0 0 317.429 3.313 10 30 DGEERN C=C(C)[C@H](NC(=O)c1coc(COC)n1)c1ccc(F)c(F)c1 ZINC000547521544 341220023 /nfs/dbraw/zinc/22/00/23/341220023.db2.gz YGTYCGRNTMLOGG-HNNXBMFYSA-N 0 0 322.311 3.146 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000135543752 341241643 /nfs/dbraw/zinc/24/16/43/341241643.db2.gz PTTGGPPJBXQRQF-CABCVRRESA-N 0 0 324.465 3.495 10 30 DGEERN C=C(C)COCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000136118403 341252954 /nfs/dbraw/zinc/25/29/54/341252954.db2.gz AGPYVTYMILXWNJ-UHFFFAOYSA-N 0 0 303.333 3.408 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC000549676176 341300330 /nfs/dbraw/zinc/30/03/30/341300330.db2.gz YXUXXLQNKOXGHU-JKSUJKDBSA-N 0 0 320.481 3.447 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)CCCC ZINC000549728274 341301594 /nfs/dbraw/zinc/30/15/94/341301594.db2.gz PTTNTANRPWNSKM-UHFFFAOYSA-N 0 0 302.422 3.469 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000553507354 341430735 /nfs/dbraw/zinc/43/07/35/341430735.db2.gz PEEPVSFHLXDGIN-RDTXWAMCSA-N 0 0 303.402 3.183 10 30 DGEERN C=CCn1c(CC)nnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000554933014 341469606 /nfs/dbraw/zinc/46/96/06/341469606.db2.gz UBBNWWYFQYVWET-UHFFFAOYSA-N 0 0 307.401 3.071 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000564885345 341512309 /nfs/dbraw/zinc/51/23/09/341512309.db2.gz BGJJDKVDLWMJFO-GWCFXTLKSA-N 0 0 310.781 3.061 10 30 DGEERN C=CCCCCCNC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000566435342 341558035 /nfs/dbraw/zinc/55/80/35/341558035.db2.gz QWECATUHXSXMPQ-INIZCTEOSA-N 0 0 304.434 3.325 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(C2CC2)cc1F ZINC000566897946 341571162 /nfs/dbraw/zinc/57/11/62/341571162.db2.gz JYVYDQATQNKDKR-SJORKVTESA-N 0 0 318.392 3.236 10 30 DGEERN C=CCCOCCNC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000155192396 341603708 /nfs/dbraw/zinc/60/37/08/341603708.db2.gz VSVDSIPOWBGUEK-INIZCTEOSA-N 0 0 317.429 3.214 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000568367970 341668554 /nfs/dbraw/zinc/66/85/54/341668554.db2.gz CVXKORPIHDPSFF-MRXNPFEDSA-N 0 0 318.392 3.429 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCC[C@H]21 ZINC000568448169 341671482 /nfs/dbraw/zinc/67/14/82/341671482.db2.gz YRRUKNAYPCRHRP-IAGOWNOFSA-N 0 0 308.429 3.352 10 30 DGEERN N#CC1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCCC1 ZINC000168881730 341753685 /nfs/dbraw/zinc/75/36/85/341753685.db2.gz KGASARMTKIXEPN-ZDUSSCGKSA-N 0 0 310.319 3.360 10 30 DGEERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(CC#N)c1 ZINC000171445831 341778079 /nfs/dbraw/zinc/77/80/79/341778079.db2.gz ALBJHEXLHSTOEX-LBPRGKRZSA-N 0 0 321.336 3.252 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000576586120 341853804 /nfs/dbraw/zinc/85/38/04/341853804.db2.gz NGEMSVBWLMNCLN-ZIAGYGMSSA-N 0 0 309.450 3.415 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1c(C)oc2ccccc21 ZINC000577336851 341904828 /nfs/dbraw/zinc/90/48/28/341904828.db2.gz KUVQTJAGRWWXHF-SJLPKXTDSA-N 0 0 313.397 3.381 10 30 DGEERN COc1cc(CN(C)c2c(C#N)cccc2C#N)cc(OC)c1 ZINC000436316337 533794838 /nfs/dbraw/zinc/79/48/38/533794838.db2.gz RYDJADFBUJNWLT-UHFFFAOYSA-N 0 0 307.353 3.084 10 30 DGEERN COc1cc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1C ZINC000179818231 533866136 /nfs/dbraw/zinc/86/61/36/533866136.db2.gz HQWKGXVOOXJAFW-UHFFFAOYSA-N 0 0 320.392 3.489 10 30 DGEERN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1Cl ZINC000162462732 533871683 /nfs/dbraw/zinc/87/16/83/533871683.db2.gz NYJDCGYVBUHHQM-QMMMGPOBSA-N 0 0 321.229 3.225 10 30 DGEERN COC(=O)c1ccc(-c2noc(-c3ccc(C#N)cc3C)n2)cc1 ZINC000160982751 533949095 /nfs/dbraw/zinc/94/90/95/533949095.db2.gz NPDKIEJRWSBHRV-UHFFFAOYSA-N 0 0 319.320 3.370 10 30 DGEERN COc1ccc(N(C(=O)c2cc(C#N)cn2C)C(C)C)cc1F ZINC000177067796 533973064 /nfs/dbraw/zinc/97/30/64/533973064.db2.gz JROBUNAHEIYMRG-UHFFFAOYSA-N 0 0 315.348 3.100 10 30 DGEERN Cc1cc(O[C@H](C)C(=O)Nc2cc(C#N)ccn2)ccc1Cl ZINC000436017357 534031855 /nfs/dbraw/zinc/03/18/55/534031855.db2.gz PDQBRAWXFOOTJI-LLVKDONJSA-N 0 0 315.760 3.321 10 30 DGEERN CSc1ccc(CN(C)c2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302695109 534204643 /nfs/dbraw/zinc/20/46/43/534204643.db2.gz DIZIPXXFJIRGDX-UHFFFAOYSA-N 0 0 314.370 3.220 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Oc1cccc(F)c1 ZINC000469538818 534357768 /nfs/dbraw/zinc/35/77/68/534357768.db2.gz ZAENISDGVSVPEB-DJIMGWMZSA-N 0 0 321.392 3.081 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)c1ccccc1F ZINC000468949062 534357925 /nfs/dbraw/zinc/35/79/25/534357925.db2.gz LECGQXBOCGKIQI-CZUORRHYSA-N 0 0 305.393 3.201 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000466540358 534375358 /nfs/dbraw/zinc/37/53/58/534375358.db2.gz FGVAPWSYPUPQPC-RDJZCZTQSA-N 0 0 300.402 3.433 10 30 DGEERN C=C[C@](C)(CCCC(=O)OC)C[C@@H](O)COCc1ccccc1 ZINC000022005328 519301924 /nfs/dbraw/zinc/30/19/24/519301924.db2.gz YWWDVWUFCDPBLM-IEBWSBKVSA-N 0 0 320.429 3.490 10 30 DGEERN C=CCc1ccc(OCC(=O)NCCC2CCCC2)c(OC)c1 ZINC000495028718 534420999 /nfs/dbraw/zinc/42/09/99/534420999.db2.gz QOIAERVBAWHCSZ-UHFFFAOYSA-N 0 0 317.429 3.499 10 30 DGEERN C=CCn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453447462 534443053 /nfs/dbraw/zinc/44/30/53/534443053.db2.gz XKSKZUGDSSRTDF-GOSISDBHSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC000453442666 534448067 /nfs/dbraw/zinc/44/80/67/534448067.db2.gz PZANLLDGNIHWCN-CVEARBPZSA-N 0 0 316.449 3.498 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000458986345 534505642 /nfs/dbraw/zinc/50/56/42/534505642.db2.gz JYOFHCJZHCPCLJ-UHFFFAOYSA-N 0 0 322.478 3.250 10 30 DGEERN C=CC(C)(C)CNC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000454962186 534511059 /nfs/dbraw/zinc/51/10/59/534511059.db2.gz AEWSTVPRAHRMPX-HZPDHXFCSA-N 0 0 302.418 3.418 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452485550 534563990 /nfs/dbraw/zinc/56/39/90/534563990.db2.gz PNFHLSKEHRKWMW-PKOBYXMFSA-N 0 0 317.404 3.081 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCO[C@H]4CCCC[C@H]43)cc2)CC1 ZINC000183124795 534575345 /nfs/dbraw/zinc/57/53/45/534575345.db2.gz BHUUSWMBCNKXPM-SJORKVTESA-N 0 0 310.397 3.025 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)CC1 ZINC000179953008 534577480 /nfs/dbraw/zinc/57/74/80/534577480.db2.gz JOKHAFYAZLSVLO-UHFFFAOYSA-N 0 0 320.324 3.283 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000450020003 534578157 /nfs/dbraw/zinc/57/81/57/534578157.db2.gz SKSNBPHRNMGYFQ-IEAZIUSSSA-N 0 0 303.377 3.326 10 30 DGEERN N#CCCCCNC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174726956 534597728 /nfs/dbraw/zinc/59/77/28/534597728.db2.gz XULNVRQTKWSADT-UHFFFAOYSA-N 0 0 318.396 3.105 10 30 DGEERN C=CCCCN(C)c1nnc([C@]2(C)CCCO2)n1CC(=C)C ZINC000453471131 534715280 /nfs/dbraw/zinc/71/52/80/534715280.db2.gz RXSYQOJWMSHYMQ-KRWDZBQOSA-N 0 0 304.438 3.282 10 30 DGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000476523968 534754027 /nfs/dbraw/zinc/75/40/27/534754027.db2.gz MGMWWRHSGFTRPN-LLVKDONJSA-N 0 0 310.444 3.319 10 30 DGEERN N#Cc1ccc(OCc2nc(-c3ccoc3)no2)cc1Cl ZINC000190257793 534797388 /nfs/dbraw/zinc/79/73/88/534797388.db2.gz MNPBFBWDZSBOIO-UHFFFAOYSA-N 0 0 301.689 3.434 10 30 DGEERN C=CCC[C@H](NC(=O)C(C)(C)c1ccccc1F)C(=O)OCC ZINC000456625747 534804491 /nfs/dbraw/zinc/80/44/91/534804491.db2.gz KHYIAIMDWCPXRL-HNNXBMFYSA-N 0 0 321.392 3.117 10 30 DGEERN Cc1csc(N2CCC(C(=O)N[C@]3(C)CCO[C@H]3C)CC2)n1 ZINC000329681456 534824339 /nfs/dbraw/zinc/82/43/39/534824339.db2.gz YFPIEXXWBSUVTM-BLLLJJGKSA-N 0 0 323.462 3.192 10 30 DGEERN Cc1nc(C(F)(F)F)c(CN(CCC#N)CCC#N)s1 ZINC000183634015 534880276 /nfs/dbraw/zinc/88/02/76/534880276.db2.gz QDXGACWWUXUBOW-UHFFFAOYSA-N 0 0 302.325 3.100 10 30 DGEERN C=CCOc1ccc(CC(=O)NCC2CCC(OC)CC2)cc1 ZINC000450066638 534880959 /nfs/dbraw/zinc/88/09/59/534880959.db2.gz MPJJSYYWODXQEC-UHFFFAOYSA-N 0 0 317.429 3.115 10 30 DGEERN C=CCOc1cccc(NC(=O)C(C)(C)COCC(F)F)c1 ZINC000468606002 534884315 /nfs/dbraw/zinc/88/43/15/534884315.db2.gz DWGTYXQCVYVXHH-UHFFFAOYSA-N 0 0 313.344 3.498 10 30 DGEERN CC#CCCCC(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374239002 526293058 /nfs/dbraw/zinc/29/30/58/526293058.db2.gz CMIBLODMXDHKQK-QGZVFWFLSA-N 0 0 324.424 3.131 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1ccc(-c2ncon2)cc1 ZINC000352598855 526322631 /nfs/dbraw/zinc/32/26/31/526322631.db2.gz VCIYURCVHWAJHN-UHFFFAOYSA-N 0 0 323.352 3.201 10 30 DGEERN C=CCN(Cc1cc(Br)ccc1C(=O)OC)C1CC1 ZINC000338280668 526333017 /nfs/dbraw/zinc/33/30/17/526333017.db2.gz CZXBEPHNNQSNIT-UHFFFAOYSA-N 0 0 324.218 3.386 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(C(C)C)nn1 ZINC000429939721 526335795 /nfs/dbraw/zinc/33/57/95/526335795.db2.gz HWXHLJJNKSNOPS-UHFFFAOYSA-N 0 0 324.837 3.402 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)C1CCOCC1 ZINC000124018814 526345228 /nfs/dbraw/zinc/34/52/28/526345228.db2.gz HSNYTOLIEWBKBD-OAHLLOKOSA-N 0 0 312.413 3.136 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(F)F ZINC000348168567 526347138 /nfs/dbraw/zinc/34/71/38/526347138.db2.gz NAFPZCMOLPKCPX-UHFFFAOYSA-N 0 0 312.316 3.401 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc2c(s1)CCC2 ZINC000415061788 526347165 /nfs/dbraw/zinc/34/71/65/526347165.db2.gz DKJCOLQVLGZHKD-UHFFFAOYSA-N 0 0 323.421 3.332 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000444133284 526348290 /nfs/dbraw/zinc/34/82/90/526348290.db2.gz DYHMLWWGBVQSAG-DZGCQCFKSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000444133285 526348867 /nfs/dbraw/zinc/34/88/67/526348867.db2.gz DYHMLWWGBVQSAG-HIFRSBDPSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000176947336 526349778 /nfs/dbraw/zinc/34/97/78/526349778.db2.gz KNQHCMPVXRQGFQ-HOTGVXAUSA-N 0 0 300.358 3.156 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NCCc1cc(C)no1 ZINC000358034825 526361532 /nfs/dbraw/zinc/36/15/32/526361532.db2.gz AKQDFEYEDXAKPJ-UHFFFAOYSA-N 0 0 317.364 3.062 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188175104 526361674 /nfs/dbraw/zinc/36/16/74/526361674.db2.gz AAYAYUHGSVCJIS-OAHLLOKOSA-N 0 0 320.408 3.481 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCC(=O)OCC ZINC000340719613 526372520 /nfs/dbraw/zinc/37/25/20/526372520.db2.gz DGWBGENLBOUJGF-CYBMUJFWSA-N 0 0 324.446 3.178 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)n1nc(C)cc1C ZINC000344380407 526374065 /nfs/dbraw/zinc/37/40/65/526374065.db2.gz HQPUSOISQJMVKY-AWEZNQCLSA-N 0 0 303.431 3.337 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000351833314 526375128 /nfs/dbraw/zinc/37/51/28/526375128.db2.gz JECZRRISMCFYLO-UHFFFAOYSA-N 0 0 324.409 3.157 10 30 DGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1C(C)(C)C1(C)C ZINC000358326879 526376909 /nfs/dbraw/zinc/37/69/09/526376909.db2.gz SFRKUDWGTLTVEO-GOSISDBHSA-N 0 0 322.449 3.046 10 30 DGEERN C=CCN(Cc1cccs1)Cc1noc(C)c1C(=O)OCC ZINC000351392646 526376976 /nfs/dbraw/zinc/37/69/76/526376976.db2.gz ZFCSNDXOWMQQHG-UHFFFAOYSA-N 0 0 320.414 3.409 10 30 DGEERN CC#CCNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000434365015 526380163 /nfs/dbraw/zinc/38/01/63/526380163.db2.gz YYMNAZUCXNDKJD-MRXNPFEDSA-N 0 0 322.811 3.146 10 30 DGEERN C=CCN(c1nnc(CCC(C)C)n1C[C@@H]1CCOC1)C1CC1 ZINC000359574353 526387163 /nfs/dbraw/zinc/38/71/63/526387163.db2.gz BDJODBFGZPADSH-HNNXBMFYSA-N 0 0 318.465 3.058 10 30 DGEERN C=C(C)CCN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O ZINC000419128413 526442633 /nfs/dbraw/zinc/44/26/33/526442633.db2.gz WCHFHMXQAWQVHS-ZDUSSCGKSA-N 0 0 322.202 3.258 10 30 DGEERN C=C(C)CCSCC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000342015273 526459990 /nfs/dbraw/zinc/45/99/90/526459990.db2.gz FFAWQSKOOUUGLR-UHFFFAOYSA-N 0 0 306.431 3.026 10 30 DGEERN C=C(C)CCS[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000350721239 526462788 /nfs/dbraw/zinc/46/27/88/526462788.db2.gz UEYCJVHMJURWFK-LBPRGKRZSA-N 0 0 307.415 3.484 10 30 DGEERN C=C(C)CN(CC)C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000340193342 526545872 /nfs/dbraw/zinc/54/58/72/526545872.db2.gz YCGIMNYTHPLOOD-UHFFFAOYSA-N 0 0 324.424 3.493 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C)nc1C ZINC000342400951 526558838 /nfs/dbraw/zinc/55/88/38/526558838.db2.gz WVVJEMASUUFGEL-UHFFFAOYSA-N 0 0 314.385 3.002 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1cnn(C)c1SC ZINC000347855064 526567850 /nfs/dbraw/zinc/56/78/50/526567850.db2.gz BIISRYDWPJTALQ-UHFFFAOYSA-N 0 0 315.442 3.361 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000342545090 526572209 /nfs/dbraw/zinc/57/22/09/526572209.db2.gz QOHNIDLNXSBSTG-MRXNPFEDSA-N 0 0 319.449 3.326 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)C2(CCF)CC2)cc1 ZINC000352294370 526617530 /nfs/dbraw/zinc/61/75/30/526617530.db2.gz QHWAQBKQMXYATK-UHFFFAOYSA-N 0 0 305.353 3.072 10 30 DGEERN C=C(C)COCCNC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000136182944 526631402 /nfs/dbraw/zinc/63/14/02/526631402.db2.gz PIPZURFSQGWHLK-MRXNPFEDSA-N 0 0 317.429 3.214 10 30 DGEERN C=CCNC(=O)[C@H](C)SCc1sc(C)nc1C(F)(F)F ZINC000184529495 526638099 /nfs/dbraw/zinc/63/80/99/526638099.db2.gz GJJHRAAPSALOKH-ZETCQYMHSA-N 0 0 324.393 3.394 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2C[C@@H](O)CC[C@H]2C)c1 ZINC000421050254 526668900 /nfs/dbraw/zinc/66/89/00/526668900.db2.gz HGWOKDDKJUOJHI-HIFRSBDPSA-N 0 0 304.390 3.019 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCc2ncccc2O)c1 ZINC000348779835 526669669 /nfs/dbraw/zinc/66/96/69/526669669.db2.gz DVPIFVRURFKKGJ-UHFFFAOYSA-N 0 0 313.357 3.064 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000376706186 526672212 /nfs/dbraw/zinc/67/22/12/526672212.db2.gz IOBWRMDQOGTATN-KRWDZBQOSA-N 0 0 301.336 3.291 10 30 DGEERN C=C(C)CS(=O)(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000435439321 526672594 /nfs/dbraw/zinc/67/25/94/526672594.db2.gz SKPHGIJXMSCPQP-MRXNPFEDSA-N 0 0 313.438 3.231 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](c1ccco1)c1ccccc1OC ZINC000288170816 526674638 /nfs/dbraw/zinc/67/46/38/526674638.db2.gz MOADDHFFCQIXBM-LJQANCHMSA-N 0 0 321.376 3.157 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC000185225871 526693783 /nfs/dbraw/zinc/69/37/83/526693783.db2.gz TVJMTXPRARVUKU-OAHLLOKOSA-N 0 0 308.466 3.086 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)C[C@H]1C ZINC000186430502 526695032 /nfs/dbraw/zinc/69/50/32/526695032.db2.gz YWGZOZJHBDCDQJ-GVDBMIGSSA-N 0 0 320.477 3.250 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(OCCCOC)cc1 ZINC000288979905 526699008 /nfs/dbraw/zinc/69/90/08/526699008.db2.gz GFYGQEXELHVPHV-OAHLLOKOSA-N 0 0 305.418 3.320 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000341480739 526700780 /nfs/dbraw/zinc/70/07/80/526700780.db2.gz LZUGLWLAUPABQE-RNCFNFMXSA-N 0 0 317.355 3.359 10 30 DGEERN C#CCCCCNC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000123794995 526702484 /nfs/dbraw/zinc/70/24/84/526702484.db2.gz XWSWCHZELAQUIZ-OAHLLOKOSA-N 0 0 310.401 3.036 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000352532678 526703072 /nfs/dbraw/zinc/70/30/72/526703072.db2.gz VHGFNZVVAJDJOB-CYBMUJFWSA-N 0 0 314.385 3.271 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000185368267 526703231 /nfs/dbraw/zinc/70/32/31/526703231.db2.gz NHZKJDGMRBBWIW-MRXNPFEDSA-N 0 0 316.445 3.102 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337229607 526705175 /nfs/dbraw/zinc/70/51/75/526705175.db2.gz VDNQZRJRQTVEMW-HOTGVXAUSA-N 0 0 316.445 3.267 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(C(=O)NCCC)c1 ZINC000185371295 526712239 /nfs/dbraw/zinc/71/22/39/526712239.db2.gz BYOGARCWVOCQSZ-AWEZNQCLSA-N 0 0 302.418 3.045 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000185281542 526712759 /nfs/dbraw/zinc/71/27/59/526712759.db2.gz UGPIIHXIWYABKN-UONOGXRCSA-N 0 0 316.401 3.423 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(-c2cccs2)nn1CCO ZINC000185637569 526713414 /nfs/dbraw/zinc/71/34/14/526713414.db2.gz OAGKUKGHUVSLJN-LBPRGKRZSA-N 0 0 319.430 3.145 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1cccc(C)n1 ZINC000358934265 526718824 /nfs/dbraw/zinc/71/88/24/526718824.db2.gz IFTXKIYJURWQAN-UHFFFAOYSA-N 0 0 323.400 3.454 10 30 DGEERN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(=C)CC1 ZINC000338784950 526719752 /nfs/dbraw/zinc/71/97/52/526719752.db2.gz AJJMXXHRTDAUIE-UHFFFAOYSA-N 0 0 309.417 3.381 10 30 DGEERN C=CCOCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000354298074 526724233 /nfs/dbraw/zinc/72/42/33/526724233.db2.gz XBGWVIIDGAOFMV-UHFFFAOYSA-N 0 0 307.353 3.371 10 30 DGEERN C=CCOCCCC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000153027713 526740182 /nfs/dbraw/zinc/74/01/82/526740182.db2.gz MRSGQDJXFLDFJW-UHFFFAOYSA-N 0 0 310.397 3.348 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000375945059 526744915 /nfs/dbraw/zinc/74/49/15/526744915.db2.gz KAAMJPNUEHUMPQ-UHFFFAOYSA-N 0 0 317.385 3.352 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)Cc1cccc(OC)c1)OCC ZINC000339375118 526750161 /nfs/dbraw/zinc/75/01/61/526750161.db2.gz XBQYPSATIFPMAF-WMLDXEAASA-N 0 0 305.418 3.114 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1cc(C#N)ccn1)c1ccc(F)c(F)c1 ZINC000356425603 526755941 /nfs/dbraw/zinc/75/59/41/526755941.db2.gz VHDKFNVSSIIGFW-MRXNPFEDSA-N 0 0 313.307 3.279 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(OCC(C)C)CC1 ZINC000331225464 526766106 /nfs/dbraw/zinc/76/61/06/526766106.db2.gz DXFAXJXGAUTDED-WBVHZDCISA-N 0 0 324.465 3.019 10 30 DGEERN C=CCOCCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000339010948 526772897 /nfs/dbraw/zinc/77/28/97/526772897.db2.gz NNEYXAKMFKMXNM-HNNXBMFYSA-N 0 0 315.335 3.281 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1)OCC ZINC000355171874 526815474 /nfs/dbraw/zinc/81/54/74/526815474.db2.gz WTNBIYQKAIZZHM-RLFYNMQTSA-N 0 0 311.466 3.051 10 30 DGEERN C=CCOc1ccc(CNc2cc(C(=O)OCC)n(C)c2)cc1 ZINC000349369903 526891737 /nfs/dbraw/zinc/89/17/37/526891737.db2.gz QKJAZUOGVDJHJV-UHFFFAOYSA-N 0 0 314.385 3.379 10 30 DGEERN C=CCOc1ccccc1CNC(=O)C[C@H](C)c1cccnc1 ZINC000360214849 526937241 /nfs/dbraw/zinc/93/72/41/526937241.db2.gz XWIDWCYGHRCWPS-HNNXBMFYSA-N 0 0 310.397 3.456 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC=C(c2ccccc2C)C1 ZINC000355007417 526955049 /nfs/dbraw/zinc/95/50/49/526955049.db2.gz UMPBBHFIALAVHC-UHFFFAOYSA-N 0 0 320.392 3.494 10 30 DGEERN C=CC1CCN(C(=O)NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000184682166 526967230 /nfs/dbraw/zinc/96/72/30/526967230.db2.gz MMDUYSIRJVEYSS-UHFFFAOYSA-N 0 0 322.412 3.251 10 30 DGEERN C=CCSCCNC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000341318571 526993399 /nfs/dbraw/zinc/99/33/99/526993399.db2.gz XBKTWKUBNUJRRV-HZPDHXFCSA-N 0 0 320.458 3.125 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000352096208 526993938 /nfs/dbraw/zinc/99/39/38/526993938.db2.gz YYYWBIYNOXBLLG-VIFPVBQESA-N 0 0 312.211 3.019 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000432112633 527008460 /nfs/dbraw/zinc/00/84/60/527008460.db2.gz ZPKQAZHTPNHUGY-UHFFFAOYSA-N 0 0 304.438 3.400 10 30 DGEERN C=CCSc1ccccc1C(=O)NCc1noc(C2CC2)n1 ZINC000362417369 527009961 /nfs/dbraw/zinc/00/99/61/527009961.db2.gz JOYVGDXJPGPBPT-UHFFFAOYSA-N 0 0 315.398 3.155 10 30 DGEERN C=CCC(C)(C)CNS(=O)(=O)c1cccc2ncccc21 ZINC000432289232 527018103 /nfs/dbraw/zinc/01/81/03/527018103.db2.gz MTVZAPVQISVVBX-UHFFFAOYSA-N 0 0 304.415 3.115 10 30 DGEERN C=CCC(F)(F)C(=O)N[C@@H](CC(=O)OCC)c1ccccc1 ZINC000294304840 527036636 /nfs/dbraw/zinc/03/66/36/527036636.db2.gz XBGPUBNMYPIFRI-ZDUSSCGKSA-N 0 0 311.328 3.009 10 30 DGEERN C=CCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCOCC1 ZINC000424743299 527039772 /nfs/dbraw/zinc/03/97/72/527039772.db2.gz AVUCDMKMBRAFCF-UHFFFAOYSA-N 0 0 303.324 3.080 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)CCC1 ZINC000359760269 527042280 /nfs/dbraw/zinc/04/22/80/527042280.db2.gz VFFPJTZZIKBJKQ-AWEZNQCLSA-N 0 0 307.434 3.313 10 30 DGEERN C=CCC1(C(=O)N2CCCC[C@H](CCOC)C2)CCOCC1 ZINC000424792640 527042363 /nfs/dbraw/zinc/04/23/63/527042363.db2.gz ZGOATNWQJQBGRU-MRXNPFEDSA-N 0 0 309.450 3.025 10 30 DGEERN C=CCC1(C(=O)N2CCc3cc(F)c(F)cc32)CCOCC1 ZINC000424585352 527048843 /nfs/dbraw/zinc/04/88/43/527048843.db2.gz CAGIAWCDIKLPAT-UHFFFAOYSA-N 0 0 307.340 3.227 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000342215161 527074525 /nfs/dbraw/zinc/07/45/25/527074525.db2.gz SBRNZDFNMSGTEZ-GFCCVEGCSA-N 0 0 303.333 3.000 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000185778793 527088269 /nfs/dbraw/zinc/08/82/69/527088269.db2.gz ZDYZVJDXIBLTKM-FZMZJTMJSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000349742730 527095567 /nfs/dbraw/zinc/09/55/67/527095567.db2.gz IVXPTOVJJYWHEE-HNNXBMFYSA-N 0 0 320.433 3.369 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000185764984 527099718 /nfs/dbraw/zinc/09/97/18/527099718.db2.gz CJSKASVXWKJJDG-VIFPVBQESA-N 0 0 307.699 3.026 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000185795049 527101343 /nfs/dbraw/zinc/10/13/43/527101343.db2.gz KCUJAZLZLSSECP-LBPRGKRZSA-N 0 0 322.817 3.130 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnn2c1CCCC2 ZINC000412844367 527112002 /nfs/dbraw/zinc/11/20/02/527112002.db2.gz UBGHWUVONRNWRO-INIZCTEOSA-N 0 0 309.413 3.137 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cc(C(N)=O)cn2C)CCCC1(C)C ZINC000331306190 527117851 /nfs/dbraw/zinc/11/78/51/527117851.db2.gz ZOIOBHHVFUQTNM-AWEZNQCLSA-N 0 0 303.406 3.115 10 30 DGEERN C=CC[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000188596809 527120629 /nfs/dbraw/zinc/12/06/29/527120629.db2.gz AIFAORKKVGJUOB-OALUTQOASA-N 0 0 322.408 3.421 10 30 DGEERN C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000428373943 527141903 /nfs/dbraw/zinc/14/19/03/527141903.db2.gz MEQIYAVVQSHYNL-GDZNZVCISA-N 0 0 321.417 3.108 10 30 DGEERN C=CCCCCNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000372117901 527147710 /nfs/dbraw/zinc/14/77/10/527147710.db2.gz XOQUDJPTDUGGSU-UHFFFAOYSA-N 0 0 302.349 3.496 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C1(CCOCC)CCC1 ZINC000287258491 527160506 /nfs/dbraw/zinc/16/05/06/527160506.db2.gz KPRPCXLVDUFLMI-SFHVURJKSA-N 0 0 313.441 3.334 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(C)nc1C(C)C ZINC000287140759 527161799 /nfs/dbraw/zinc/16/17/99/527161799.db2.gz FUDPSSSYFUXQEI-KRWDZBQOSA-N 0 0 321.424 3.273 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C)c(OC)cc1Cl ZINC000289598912 527180506 /nfs/dbraw/zinc/18/05/06/527180506.db2.gz IWJWEKISVJIEBG-UHFFFAOYSA-N 0 0 324.808 3.020 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000184468455 527180651 /nfs/dbraw/zinc/18/06/51/527180651.db2.gz XUEUWQTUWMQZTC-UHFFFAOYSA-N 0 0 314.385 3.413 10 30 DGEERN C=CCCCN(C)C(=O)CSc1nc(-c2ccccc2)no1 ZINC000349131586 527181796 /nfs/dbraw/zinc/18/17/96/527181796.db2.gz QCHRQIWKVAHPON-UHFFFAOYSA-N 0 0 317.414 3.253 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000182167700 527184834 /nfs/dbraw/zinc/18/48/34/527184834.db2.gz YUDXNNAIMFRRGH-UHFFFAOYSA-N 0 0 305.422 3.367 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000134189278 527187402 /nfs/dbraw/zinc/18/74/02/527187402.db2.gz BOUOUTUAGBLYRK-ZDUSSCGKSA-N 0 0 319.405 3.090 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186635961 527188001 /nfs/dbraw/zinc/18/80/01/527188001.db2.gz XZQQXKVSZVZKTE-UHFFFAOYSA-N 0 0 302.378 3.094 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000346962596 527189501 /nfs/dbraw/zinc/18/95/01/527189501.db2.gz UWETWKBLQGHTRW-KRWDZBQOSA-N 0 0 314.429 3.081 10 30 DGEERN C=CCCCN(C)C(=O)c1ncccc1OCC(F)(F)F ZINC000177083103 527190064 /nfs/dbraw/zinc/19/00/64/527190064.db2.gz XHQKRAJSLJHIKF-UHFFFAOYSA-N 0 0 302.296 3.061 10 30 DGEERN C=CCCCN(C)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000338897141 527193817 /nfs/dbraw/zinc/19/38/17/527193817.db2.gz FIFDQLFIGKOORV-UHFFFAOYSA-N 0 0 303.374 3.352 10 30 DGEERN C=CCCCN(C)c1nnc(C(C)C)n1C[C@@H]1CCCCO1 ZINC000339155166 527195340 /nfs/dbraw/zinc/19/53/40/527195340.db2.gz IEZXVZMTBXXQDD-HNNXBMFYSA-N 0 0 306.454 3.373 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000347691955 527198490 /nfs/dbraw/zinc/19/84/90/527198490.db2.gz VDPAJADYDWKAGL-CVEARBPZSA-N 0 0 304.434 3.400 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000185561795 527199404 /nfs/dbraw/zinc/19/94/04/527199404.db2.gz JUGXDTHSZKTEAD-SJORKVTESA-N 0 0 302.418 3.154 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000185765451 527207823 /nfs/dbraw/zinc/20/78/23/527207823.db2.gz QJJUFYCYAYPVBO-OAHLLOKOSA-N 0 0 322.364 3.017 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000448322521 527210222 /nfs/dbraw/zinc/21/02/22/527210222.db2.gz SSLFHSAYAIODSN-UHFFFAOYSA-N 0 0 324.380 3.500 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCS[C@H](C)C1 ZINC000413825970 527215539 /nfs/dbraw/zinc/21/55/39/527215539.db2.gz PWZPHMCJHISYKN-GDBMZVCRSA-N 0 0 304.459 3.321 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000412848859 527221549 /nfs/dbraw/zinc/22/15/49/527221549.db2.gz ZIWPYHGCRHTHDK-CVEARBPZSA-N 0 0 309.413 3.133 10 30 DGEERN C=CC[C@H]1N(C(=O)NCc2cccc(OC)n2)CCCC1(C)C ZINC000445028590 527225507 /nfs/dbraw/zinc/22/55/07/527225507.db2.gz CQLUFZWWIAWFKG-OAHLLOKOSA-N 0 0 317.433 3.367 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000302097170 527228996 /nfs/dbraw/zinc/22/89/96/527228996.db2.gz JRGOZDUTWXKBBC-IBGZPJMESA-N 0 0 322.364 3.044 10 30 DGEERN C=CCc1cc(C(=O)N2CC(C)=C[C@@H](C)C2)cc(OC)c1OC ZINC000435270884 527231070 /nfs/dbraw/zinc/23/10/70/527231070.db2.gz WCVBEULTROVEDX-CYBMUJFWSA-N 0 0 315.413 3.471 10 30 DGEERN CC(=O)c1ccc(C#N)cc1NCc1cn(C)nc1C(F)(F)F ZINC000302160405 527232006 /nfs/dbraw/zinc/23/20/06/527232006.db2.gz YCEGTWVFKIVQBO-UHFFFAOYSA-N 0 0 322.290 3.125 10 30 DGEERN C=CCCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435434677 527233523 /nfs/dbraw/zinc/23/35/23/527233523.db2.gz ZJWVBYJXEXXNMG-UHFFFAOYSA-N 0 0 312.193 3.377 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ccnc(OC)c1 ZINC000342704271 527246094 /nfs/dbraw/zinc/24/60/94/527246094.db2.gz LNTMRFJNRHYTRM-UHFFFAOYSA-N 0 0 300.314 3.306 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000181389161 527263968 /nfs/dbraw/zinc/26/39/68/527263968.db2.gz ZQKXVVSPEHRURI-PBHICJAKSA-N 0 0 318.417 3.220 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000337919625 527271369 /nfs/dbraw/zinc/27/13/69/527271369.db2.gz XQNQPUMZHWWUFM-KDOFPFPSSA-N 0 0 311.433 3.476 10 30 DGEERN C=CCCC[C@H](C)N1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000431299769 527273929 /nfs/dbraw/zinc/27/39/29/527273929.db2.gz XAPXALCBRIIKIJ-LBPRGKRZSA-N 0 0 322.355 3.474 10 30 DGEERN C=CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccco1 ZINC000351114677 527276388 /nfs/dbraw/zinc/27/63/88/527276388.db2.gz LATPWKJISVQGFU-CQSZACIVSA-N 0 0 323.400 3.404 10 30 DGEERN C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccco1 ZINC000350788179 527277105 /nfs/dbraw/zinc/27/71/05/527277105.db2.gz CACDZBMNHUZWHM-OAHLLOKOSA-N 0 0 321.384 3.461 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@@H](CC)C1 ZINC000337862401 527280889 /nfs/dbraw/zinc/28/08/89/527280889.db2.gz NVLLTHSDMMWWSF-ZDUSSCGKSA-N 0 0 304.419 3.056 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2ccc(F)cc2C1 ZINC000351075890 527281086 /nfs/dbraw/zinc/28/10/86/527281086.db2.gz RHPPDJOLFJLVQD-UHFFFAOYSA-N 0 0 324.359 3.426 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000179795517 527284472 /nfs/dbraw/zinc/28/44/72/527284472.db2.gz HMMXPYLIMOVWPH-SWLSCSKDSA-N 0 0 318.442 3.351 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000181427198 527286146 /nfs/dbraw/zinc/28/61/46/527286146.db2.gz FEPDWKGQNUQDDK-HNNXBMFYSA-N 0 0 304.438 3.050 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000337904643 527291066 /nfs/dbraw/zinc/29/10/66/527291066.db2.gz MBWNMRVAWQFFBX-LLVKDONJSA-N 0 0 302.344 3.366 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000338482946 527293363 /nfs/dbraw/zinc/29/33/63/527293363.db2.gz KIEOGXOEJMJNCL-AWEZNQCLSA-N 0 0 313.405 3.193 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(C[C@@H]1CCCO1)C1CCCC1 ZINC000350791739 527305403 /nfs/dbraw/zinc/30/54/03/527305403.db2.gz KATCNRVBPRNKJF-INIZCTEOSA-N 0 0 316.449 3.270 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@]2(C1)CCCOC2 ZINC000351070873 527315912 /nfs/dbraw/zinc/31/59/12/527315912.db2.gz BRZYLKHKWOKHNM-SFHVURJKSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H]1C(C)C ZINC000350742699 527319834 /nfs/dbraw/zinc/31/98/34/527319834.db2.gz YOVHKCONDZQHPN-MRXNPFEDSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H]1CC ZINC000350741898 527320252 /nfs/dbraw/zinc/32/02/52/527320252.db2.gz SCCQYYLZXXTXOG-CQSZACIVSA-N 0 0 300.406 3.221 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](CC)C1 ZINC000337863530 527320364 /nfs/dbraw/zinc/32/03/64/527320364.db2.gz OOYTVRVEAJTWDD-CQSZACIVSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(COCC)nnc1N(C)Cc1cc(C)ccc1C ZINC000337822042 527320722 /nfs/dbraw/zinc/32/07/22/527320722.db2.gz SJCWBPKPEGCFMU-UHFFFAOYSA-N 0 0 314.433 3.254 10 30 DGEERN C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000337846539 527328324 /nfs/dbraw/zinc/32/83/24/527328324.db2.gz HOPDQFCUCOZWIA-IYBDPMFKSA-N 0 0 323.444 3.076 10 30 DGEERN C=CCn1c(SCc2csc(C(C)(C)C)n2)n[nH]c1=O ZINC000348133680 527333686 /nfs/dbraw/zinc/33/36/86/527333686.db2.gz XPJAJKSSACVNNN-UHFFFAOYSA-N 0 0 310.448 3.216 10 30 DGEERN C=CCCOCCCCC(=O)Nc1cnc(C)nc1C1CC1 ZINC000341487444 527337411 /nfs/dbraw/zinc/33/74/11/527337411.db2.gz PIVMGCGAVLRQGJ-UHFFFAOYSA-N 0 0 303.406 3.364 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1cccs1 ZINC000442907896 527338954 /nfs/dbraw/zinc/33/89/54/527338954.db2.gz ZCCVAENSQYCOOG-UHFFFAOYSA-N 0 0 307.444 3.200 10 30 DGEERN C=CCn1c(SCc2ccn(C)n2)nnc1-c1ccccc1 ZINC000339115212 527343246 /nfs/dbraw/zinc/34/32/46/527343246.db2.gz MKYIKTRWPKISJP-UHFFFAOYSA-N 0 0 311.414 3.157 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000345983771 527377377 /nfs/dbraw/zinc/37/73/77/527377377.db2.gz GCUADTQGTJMOGQ-VIFPVBQESA-N 0 0 320.311 3.026 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000152990830 527380852 /nfs/dbraw/zinc/38/08/52/527380852.db2.gz GYDHAJCABWFWCU-HNNXBMFYSA-N 0 0 310.397 3.346 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000133189193 527455049 /nfs/dbraw/zinc/45/50/49/527455049.db2.gz NMAUUUDKIAAOIB-QGZVFWFLSA-N 0 0 322.412 3.296 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000080738120 527457397 /nfs/dbraw/zinc/45/73/97/527457397.db2.gz ZNPVBFSKJURAKP-DLBZAZTESA-N 0 0 308.385 3.170 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)c1 ZINC000153249383 527458287 /nfs/dbraw/zinc/45/82/87/527458287.db2.gz TVGDOECZLCLMLF-CXAGYDPISA-N 0 0 306.365 3.354 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000358163117 527463264 /nfs/dbraw/zinc/46/32/64/527463264.db2.gz IBEARHRKWHJZIW-CVEARBPZSA-N 0 0 309.413 3.133 10 30 DGEERN C(#Cc1ccccc1)CSc1nncn1CCc1ccccn1 ZINC000187973497 527465840 /nfs/dbraw/zinc/46/58/40/527465840.db2.gz IEJAQHDZMORTNJ-UHFFFAOYSA-N 0 0 320.421 3.060 10 30 DGEERN CC(C)(C#N)CNC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000359646104 527483921 /nfs/dbraw/zinc/48/39/21/527483921.db2.gz HSZKMICDPZGMBV-UHFFFAOYSA-N 0 0 303.749 3.275 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc2ccccc2c1 ZINC000424935772 527493059 /nfs/dbraw/zinc/49/30/59/527493059.db2.gz ZBBCMIMHFIFQNR-OALUTQOASA-N 0 0 309.409 3.480 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(SCC)c1 ZINC000425537396 527495200 /nfs/dbraw/zinc/49/52/00/527495200.db2.gz IKHYCCSZCXFMAX-HOCLYGCPSA-N 0 0 320.458 3.189 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC([C@H](C)O)CC1 ZINC000337525202 527504969 /nfs/dbraw/zinc/50/49/69/527504969.db2.gz BAAGINGXJKZPNM-AWEZNQCLSA-N 0 0 302.418 3.430 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000352081852 527525049 /nfs/dbraw/zinc/52/50/49/527525049.db2.gz HNWVWCJVDQIKOF-RNCFNFMXSA-N 0 0 312.211 3.019 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000354653784 527549962 /nfs/dbraw/zinc/54/99/62/527549962.db2.gz DCPSVAKXXNVRFA-CHWSQXEVSA-N 0 0 321.726 3.387 10 30 DGEERN C=C[C@@](C)(O)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356732557 527550400 /nfs/dbraw/zinc/55/04/00/527550400.db2.gz KFJZGNSMNVYNIP-MRXNPFEDSA-N 0 0 306.362 3.158 10 30 DGEERN C=CCN(C)C(=O)C(=O)N(CCCC)Cc1ccccc1Cl ZINC000297587116 527554627 /nfs/dbraw/zinc/55/46/27/527554627.db2.gz GJELCZGAHZYNEI-UHFFFAOYSA-N 0 0 322.836 3.113 10 30 DGEERN C=CCN(C)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC000341572608 527569256 /nfs/dbraw/zinc/56/92/56/527569256.db2.gz BTYCUMZNUICBGY-UHFFFAOYSA-N 0 0 322.836 3.260 10 30 DGEERN C=CCN(C)c1nnc([C@H]2CCCS2)n1C[C@@H]1CCCCO1 ZINC000424376696 527578769 /nfs/dbraw/zinc/57/87/69/527578769.db2.gz LGLSHFXUFYMCKN-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000283280835 527586360 /nfs/dbraw/zinc/58/63/60/527586360.db2.gz DXLOJFXMGOEUMK-ZDUSSCGKSA-N 0 0 311.303 3.324 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc(C)nc1Cl ZINC000288180680 527587019 /nfs/dbraw/zinc/58/70/19/527587019.db2.gz ARTNEJBHBLFGTE-UHFFFAOYSA-N 0 0 306.715 3.163 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1nsc2ccccc21 ZINC000424629753 527587162 /nfs/dbraw/zinc/58/71/62/527587162.db2.gz RSPORQZYSLGSLA-UHFFFAOYSA-N 0 0 314.332 3.416 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000152817258 527587260 /nfs/dbraw/zinc/58/72/60/527587260.db2.gz PQJCAKUCRPKZPN-UHFFFAOYSA-N 0 0 318.295 3.286 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cn(C(C)(C)C)nc1C ZINC000344789577 527588098 /nfs/dbraw/zinc/58/80/98/527588098.db2.gz PMHADIGVMVPQSL-UHFFFAOYSA-N 0 0 303.328 3.137 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000247957315 527588615 /nfs/dbraw/zinc/58/86/15/527588615.db2.gz OATJOLPLBWCNCD-UHFFFAOYSA-N 0 0 310.275 3.131 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ncsc1C(F)(F)F ZINC000282628138 527589060 /nfs/dbraw/zinc/58/90/60/527589060.db2.gz JMBLTAZTOALALX-UHFFFAOYSA-N 0 0 318.242 3.352 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ncccc1C(F)(F)F ZINC000092336976 527589496 /nfs/dbraw/zinc/58/94/96/527589496.db2.gz STHIBPGHCCJPAD-UHFFFAOYSA-N 0 0 312.213 3.291 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(-c2ccccc2)c1 ZINC000336958204 527589868 /nfs/dbraw/zinc/58/98/68/527589868.db2.gz AQWXCXJFCRAHKM-UHFFFAOYSA-N 0 0 309.291 3.063 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn(CC(C)C)c1CC ZINC000119192269 527589905 /nfs/dbraw/zinc/58/99/05/527589905.db2.gz MXSGIGITIZTBML-UHFFFAOYSA-N 0 0 317.355 3.292 10 30 DGEERN C=CCN(CC1CCCCC1)c1nnc(C)n1C[C@@H]1CCCO1 ZINC000359432501 527599044 /nfs/dbraw/zinc/59/90/44/527599044.db2.gz WRIPPYXVHWSKNU-KRWDZBQOSA-N 0 0 318.465 3.338 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000357156340 527603624 /nfs/dbraw/zinc/60/36/24/527603624.db2.gz ZFRDYNKULHXQPN-KGLIPLIRSA-N 0 0 301.434 3.205 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000191130952 527611179 /nfs/dbraw/zinc/61/11/79/527611179.db2.gz RPRUCVYIUTUJAL-QFBILLFUSA-N 0 0 317.429 3.127 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356732555 527639040 /nfs/dbraw/zinc/63/90/40/527639040.db2.gz KFJZGNSMNVYNIP-INIZCTEOSA-N 0 0 306.362 3.158 10 30 DGEERN C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C ZINC000350154243 527652353 /nfs/dbraw/zinc/65/23/53/527652353.db2.gz MQQXRTOGNYCFTP-IRXDYDNUSA-N 0 0 324.428 3.239 10 30 DGEERN CCO[C@@H]1C[C@@](NCCCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000444671067 527881264 /nfs/dbraw/zinc/88/12/64/527881264.db2.gz HYBDDFBPZXQPDG-RDTXWAMCSA-N 0 0 324.465 3.043 10 30 DGEERN CC(C)c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1[N+](=O)[O-] ZINC000435997926 528079242 /nfs/dbraw/zinc/07/92/42/528079242.db2.gz USVWAPLHWVKNHR-UHFFFAOYSA-N 0 0 310.313 3.237 10 30 DGEERN CCCCCCCC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189125683 528118569 /nfs/dbraw/zinc/11/85/69/528118569.db2.gz WJHGKMHPGMBSTK-UONOGXRCSA-N 0 0 309.410 3.027 10 30 DGEERN CCO[C@H]1C[C@H](N(C)C(=O)NCCCCC#N)C12CCCC2 ZINC000172621738 528127471 /nfs/dbraw/zinc/12/74/71/528127471.db2.gz FOXYSPWXEBRMLG-GJZGRUSLSA-N 0 0 307.438 3.059 10 30 DGEERN CCC(C)(C)c1ccc(CNS(=O)(=O)CCCCC#N)cc1 ZINC000158632522 528605049 /nfs/dbraw/zinc/60/50/49/528605049.db2.gz MOVPPZHDAGFUSV-UHFFFAOYSA-N 0 0 322.474 3.487 10 30 DGEERN CC(C)N(CC1CCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000193825179 528873998 /nfs/dbraw/zinc/87/39/98/528873998.db2.gz VBNHBOMRKZTRCK-UHFFFAOYSA-N 0 0 315.417 3.157 10 30 DGEERN CCN(Cc1nc2cc(Br)ccc2[nH]1)C[C@@H](C)C#N ZINC000184959456 528887853 /nfs/dbraw/zinc/88/78/53/528887853.db2.gz AREAHFMLFHNPQY-JTQLQIEISA-N 0 0 321.222 3.307 10 30 DGEERN CCN(Cc1nsc(N(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000177488428 528893849 /nfs/dbraw/zinc/89/38/49/528893849.db2.gz MXUOYGARNQEGRB-LBPRGKRZSA-N 0 0 315.446 3.059 10 30 DGEERN CC1(C)CC[C@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328737311 529034218 /nfs/dbraw/zinc/03/42/18/529034218.db2.gz ZZNRQHZSTKRVRA-HRCADAONSA-N 0 0 317.433 3.384 10 30 DGEERN CCN(C(=O)c1cc(O)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000188740454 529074223 /nfs/dbraw/zinc/07/42/23/529074223.db2.gz JCMKNDGWXXGTIJ-CYBMUJFWSA-N 0 0 324.380 3.496 10 30 DGEERN CCC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451391313 535410877 /nfs/dbraw/zinc/41/08/77/535410877.db2.gz CMXYJDNZWWAESE-MRXNPFEDSA-N 0 0 324.421 3.182 10 30 DGEERN Cc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccn1C ZINC000195031849 546251226 /nfs/dbraw/zinc/25/12/26/546251226.db2.gz XTXLMUKRXVBNTD-UHFFFAOYSA-N 0 0 320.314 3.134 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(C(=O)N(C)CCCC=C)o1 ZINC000268845676 546351165 /nfs/dbraw/zinc/35/11/65/546351165.db2.gz PLNZTACOWXYJNW-UHFFFAOYSA-N 0 0 318.417 3.356 10 30 DGEERN CC(C)Cn1ncc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C1CC1 ZINC000329295736 546484992 /nfs/dbraw/zinc/48/49/92/546484992.db2.gz SOEGIYPXXLAJNW-CHWSQXEVSA-N 0 0 320.437 3.071 10 30 DGEERN C[C@]1(CNC(=O)[C@@H]2CCCC(=O)N2)OCCc2sccc21 ZINC000329678718 546489122 /nfs/dbraw/zinc/48/91/22/546489122.db2.gz VRAPDXAEVNULFP-XHDPSFHLSA-N 0 0 308.403 3.002 10 30 DGEERN O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1CCc2cccnc21 ZINC000330119998 546495476 /nfs/dbraw/zinc/49/54/76/546495476.db2.gz GDWFDPJZQYFLSE-MRXNPFEDSA-N 0 0 322.412 3.132 10 30 DGEERN C=CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(C)(C)C)CC1 ZINC000337807349 546524082 /nfs/dbraw/zinc/52/40/82/546524082.db2.gz IMMKRLIEPLRTAO-CQSZACIVSA-N 0 0 318.465 3.231 10 30 DGEERN C=CCn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2[C@H]1C ZINC000350724369 546621518 /nfs/dbraw/zinc/62/15/18/546621518.db2.gz ZOPJUVOSKCDULO-HIFRSBDPSA-N 0 0 310.401 3.049 10 30 DGEERN C=CCn1c(S[C@H](C)[C@H](C)O)nnc1-c1cccc(OC)c1 ZINC000359772156 546711596 /nfs/dbraw/zinc/71/15/96/546711596.db2.gz ZDBQOJBRJKTJNN-NWDGAFQWSA-N 0 0 319.430 3.001 10 30 DGEERN Cc1c(N)cc(Br)cc1C#CC(=O)OC(C)(C)C ZINC000675078874 548149799 /nfs/dbraw/zinc/14/97/99/548149799.db2.gz MMYSIGKTXXFZTI-UHFFFAOYSA-N 0 0 310.191 3.033 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@H](C)OCC2CC2)c1 ZINC000730698949 574534099 /nfs/dbraw/zinc/53/40/99/574534099.db2.gz BAOYZBKRQKUSIN-KGLIPLIRSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1cccc(OC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000730497693 574530329 /nfs/dbraw/zinc/53/03/29/574530329.db2.gz LUDMQZOIKJMILE-RTBURBONSA-N 0 0 322.360 3.416 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](C)OCC2CC2)c1 ZINC000730698952 574534165 /nfs/dbraw/zinc/53/41/65/574534165.db2.gz BAOYZBKRQKUSIN-ZIAGYGMSSA-N 0 0 302.370 3.118 10 30 DGEERN CCOc1ccc(/C=N/[C@H]2CCN(c3ccccc3)C2=O)c(O)c1 ZINC000731562855 574551768 /nfs/dbraw/zinc/55/17/68/574551768.db2.gz IMIDKUCLMRPYFP-NNIWKIFQSA-N 0 0 324.380 3.015 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000731588582 574552900 /nfs/dbraw/zinc/55/29/00/574552900.db2.gz KWJAYECCVBBKDI-MRXNPFEDSA-N 0 0 302.418 3.269 10 30 DGEERN C=C(Br)COC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000732356896 574572070 /nfs/dbraw/zinc/57/20/70/574572070.db2.gz OVQULRYQIYZYHC-AWEZNQCLSA-N 0 0 324.218 3.103 10 30 DGEERN CC(C)c1cnc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)o1 ZINC000733304230 574612386 /nfs/dbraw/zinc/61/23/86/574612386.db2.gz IIILMWPPRBQLOD-UUASQNMZSA-N 0 0 322.430 3.330 10 30 DGEERN C#CCCNC(=O)/C=C/c1cc2ccccc2nc1OCCC ZINC000733246784 574609743 /nfs/dbraw/zinc/60/97/43/574609743.db2.gz DYYKHPXSULEQTE-ZHACJKMWSA-N 0 0 308.381 3.176 10 30 DGEERN C#CCCNC(=O)/C=C\c1cc2ccccc2nc1OCCC ZINC000733246783 574609747 /nfs/dbraw/zinc/60/97/47/574609747.db2.gz DYYKHPXSULEQTE-KHPPLWFESA-N 0 0 308.381 3.176 10 30 DGEERN C#CCCNC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000733247112 574610145 /nfs/dbraw/zinc/61/01/45/574610145.db2.gz KNLPOTMWPHOHOR-KRWDZBQOSA-N 0 0 315.319 3.224 10 30 DGEERN C#CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000733247612 574610201 /nfs/dbraw/zinc/61/02/01/574610201.db2.gz VKGSYRBHAXJCPT-UHFFFAOYSA-N 0 0 310.309 3.140 10 30 DGEERN C#CCCNC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000733343169 574617112 /nfs/dbraw/zinc/61/71/12/574617112.db2.gz LIQCAEISAMOMLX-GFCCVEGCSA-N 0 0 323.234 3.093 10 30 DGEERN C#CCCNC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000733340218 574617445 /nfs/dbraw/zinc/61/74/45/574617445.db2.gz XLQWNNDLZLRRPS-OAHLLOKOSA-N 0 0 323.396 3.044 10 30 DGEERN C#CCCNC(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000733356696 574617536 /nfs/dbraw/zinc/61/75/36/574617536.db2.gz NCGLJOBRQLOEBN-UHFFFAOYSA-N 0 0 322.408 3.131 10 30 DGEERN C#CCCNC(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 ZINC000733356797 574617556 /nfs/dbraw/zinc/61/75/56/574617556.db2.gz OVMGELOZJBYLPW-IBGZPJMESA-N 0 0 322.408 3.497 10 30 DGEERN C#CCCNC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000733356285 574617663 /nfs/dbraw/zinc/61/76/63/574617663.db2.gz IUSCOTQDFKWOAL-IBGZPJMESA-N 0 0 304.393 3.367 10 30 DGEERN C#CCCNC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000733625825 574632834 /nfs/dbraw/zinc/63/28/34/574632834.db2.gz DURJKEYYOAWDQF-UHFFFAOYSA-N 0 0 322.290 3.036 10 30 DGEERN C=C(CSc1nccn1-c1ccccc1C)C(=O)OCC ZINC000733871217 574641077 /nfs/dbraw/zinc/64/10/77/574641077.db2.gz BXKJYNQNKKVVMB-UHFFFAOYSA-N 0 0 302.399 3.392 10 30 DGEERN C=C(COC(=O)c1cnc(-c2ccccc2)s1)C(=O)OCC ZINC000734026332 574647527 /nfs/dbraw/zinc/64/75/27/574647527.db2.gz BTGXQNPAYOOVDD-UHFFFAOYSA-N 0 0 317.366 3.086 10 30 DGEERN C=C(COC(=O)[C@H](C)Oc1cccc(C(C)C)c1)C(=O)OCC ZINC000734029721 574647791 /nfs/dbraw/zinc/64/77/91/574647791.db2.gz QJSSGQIBONLPJO-AWEZNQCLSA-N 0 0 320.385 3.240 10 30 DGEERN C#CCOc1ccccc1CNC(=S)Nc1ccccc1C ZINC000734097870 574651297 /nfs/dbraw/zinc/65/12/97/574651297.db2.gz QFECXLWEMJOYSF-UHFFFAOYSA-N 0 0 310.422 3.494 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccs1 ZINC000734162988 574653712 /nfs/dbraw/zinc/65/37/12/574653712.db2.gz SDIQNHWNCVJMHF-ZDUSSCGKSA-N 0 0 314.410 3.321 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N1CCCC(C)(C)C1 ZINC000734217894 574654186 /nfs/dbraw/zinc/65/41/86/574654186.db2.gz NVOIEXGYLATZHF-UHFFFAOYSA-N 0 0 300.402 3.030 10 30 DGEERN C=CC[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000734237678 574655029 /nfs/dbraw/zinc/65/50/29/574655029.db2.gz SICAFRBMQSKSHJ-KRWDZBQOSA-N 0 0 309.369 3.087 10 30 DGEERN Cc1c2ccccc2oc1C/N=C/c1c(CO)cnc(C)c1O ZINC000734303496 574655467 /nfs/dbraw/zinc/65/54/67/574655467.db2.gz RHNFRHGGBGXLPP-UFWORHAWSA-N 0 0 310.353 3.262 10 30 DGEERN C=C(Br)CNC(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000734524015 574666461 /nfs/dbraw/zinc/66/64/61/574666461.db2.gz GNTVWMFBUFWBCW-ZYHUDNBSSA-N 0 0 303.244 3.411 10 30 DGEERN Cc1nn(Cc2cc(Cl)ccc2OCC#N)c(C)c1[N+](=O)[O-] ZINC000735231343 574692072 /nfs/dbraw/zinc/69/20/72/574692072.db2.gz SFPIGPUBRIKPLD-UHFFFAOYSA-N 0 0 320.736 3.012 10 30 DGEERN N#CCOc1ccc(Cl)cc1CON=C(N)c1cccs1 ZINC000735302719 574695931 /nfs/dbraw/zinc/69/59/31/574695931.db2.gz CDYORPDQWZCXEG-UHFFFAOYSA-N 0 0 321.789 3.141 10 30 DGEERN CC[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@H](C)O1 ZINC000735310873 574697216 /nfs/dbraw/zinc/69/72/16/574697216.db2.gz FIJJGRVKHLAUHE-WFASDCNBSA-N 0 0 308.809 3.242 10 30 DGEERN Cc1noc(CSCc2cc(Cl)ccc2OCC#N)n1 ZINC000735319290 574697665 /nfs/dbraw/zinc/69/76/65/574697665.db2.gz YIZBDQQTWIHOLN-UHFFFAOYSA-N 0 0 309.778 3.367 10 30 DGEERN C=C(Cl)CNC(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000736246645 574738468 /nfs/dbraw/zinc/73/84/68/574738468.db2.gz DEPUVFRIXVZVCW-UHFFFAOYSA-N 0 0 309.793 3.307 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)CC/C=C\c1ccccc1 ZINC000737520329 574848698 /nfs/dbraw/zinc/84/86/98/574848698.db2.gz TZTIEZVAFCLALJ-WQLSENKSSA-N 0 0 301.386 3.058 10 30 DGEERN C#CCSCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000739825064 574912987 /nfs/dbraw/zinc/91/29/87/574912987.db2.gz PXEUUEZFZHTMSJ-UHFFFAOYSA-N 0 0 307.418 3.354 10 30 DGEERN C=CCOc1cccc(N[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 ZINC000739990544 574917220 /nfs/dbraw/zinc/91/72/20/574917220.db2.gz QYXFACUEUSJWPU-GOSISDBHSA-N 0 0 322.364 3.449 10 30 DGEERN CCOc1ccc(F)c(C(=O)OCc2ccccc2C#N)c1N ZINC000741040576 574950094 /nfs/dbraw/zinc/95/00/94/574950094.db2.gz HCCSGGRPSZPZGG-UHFFFAOYSA-N 0 0 314.316 3.035 10 30 DGEERN C=CCc1ccc(OC(=O)CN(C)c2ccccc2)c(OC)c1 ZINC000741172784 574952928 /nfs/dbraw/zinc/95/29/28/574952928.db2.gz KVGXNBAPROGEMR-UHFFFAOYSA-N 0 0 311.381 3.466 10 30 DGEERN C(=NN=c1[nH]c2ccccc2[nH]1)c1c[nH]c(-c2ccccc2)n1 ZINC000741453740 574958445 /nfs/dbraw/zinc/95/84/45/574958445.db2.gz UQSLTOAANLYPEB-UHFFFAOYSA-N 0 0 302.341 3.399 10 30 DGEERN C=CCCO[C@H](C)C(=O)Oc1cccc(C(=O)N(CC)CC)c1 ZINC000741599949 574964091 /nfs/dbraw/zinc/96/40/91/574964091.db2.gz MUKNIBXLODMKOX-CQSZACIVSA-N 0 0 319.401 3.055 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)C[C@H](C)c1cccnc1 ZINC000741646257 574965446 /nfs/dbraw/zinc/96/54/46/574965446.db2.gz PJDQDQDSCQOFMH-ZDUSSCGKSA-N 0 0 312.344 3.365 10 30 DGEERN CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000741678295 574966473 /nfs/dbraw/zinc/96/64/73/574966473.db2.gz NEQKXXIULQRORI-UKRRQHHQSA-N 0 0 306.356 3.467 10 30 DGEERN N#C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CCN1C1CC1 ZINC000741788442 574971113 /nfs/dbraw/zinc/97/11/13/574971113.db2.gz WRUKKSHODSRYGV-CQSZACIVSA-N 0 0 310.228 3.166 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cccc(OC)c2OC)cc1 ZINC000742860308 575022745 /nfs/dbraw/zinc/02/27/45/575022745.db2.gz SJHATDPVLAOADM-UHFFFAOYSA-N 0 0 314.337 3.488 10 30 DGEERN C#Cc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)nc1 ZINC000742967958 575026282 /nfs/dbraw/zinc/02/62/82/575026282.db2.gz PWCQDUBHDLVWSH-UHFFFAOYSA-N 0 0 313.360 3.055 10 30 DGEERN C=C[C@@]1(C)C=C2C(=O)C[C@@]3(O)[C@@H](CCCC3(C)C)[C@]2(C)[C@@H](O)C1 ZINC000004097902 571685972 /nfs/dbraw/zinc/68/59/72/571685972.db2.gz BWRPYSJNBVBIRP-FLFBIERCSA-N 0 0 318.457 3.406 10 30 endogenous,in-man DGEERN O=C(/C=C\c1cnn2ccccc12)c1cnn(-c2ccccc2)c1 ZINC000729644180 575258367 /nfs/dbraw/zinc/25/83/67/575258367.db2.gz REKWCYABDLAWJH-KTKRTIGZSA-N 0 0 314.348 3.416 10 30 DGEERN C=CCOCC(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000729895920 575265911 /nfs/dbraw/zinc/26/59/11/575265911.db2.gz BSJIPOGWGPQZLH-QGZVFWFLSA-N 0 0 301.317 3.056 10 30 DGEERN C#Cc1cccc(NC(=S)N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000726453461 576023416 /nfs/dbraw/zinc/02/34/16/576023416.db2.gz GMBWEIOAVTZKIP-GFCCVEGCSA-N 0 0 324.405 3.444 10 30 DGEERN C=CCCC(=O)OCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000726650214 576034466 /nfs/dbraw/zinc/03/44/66/576034466.db2.gz BGBFLZWWJMXKLO-OAHLLOKOSA-N 0 0 315.413 3.323 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000727060229 576099504 /nfs/dbraw/zinc/09/95/04/576099504.db2.gz JZNNTFZPTPBZOI-UHFFFAOYSA-N 0 0 316.311 3.061 10 30 DGEERN Cc1nn(C)c2nc(Cl)c(C=NNc3ccc(C)cn3)cc12 ZINC000727259942 576116016 /nfs/dbraw/zinc/11/60/16/576116016.db2.gz PHMZADDPOFKBSC-UHFFFAOYSA-N 0 0 314.780 3.080 10 30 DGEERN Cc1ccc(NN=C2C(=O)Nc3c2c(Cl)ccc3C)nc1 ZINC000727259747 576116311 /nfs/dbraw/zinc/11/63/11/576116311.db2.gz LZOOUVOBRIGFLU-UHFFFAOYSA-N 0 0 300.749 3.120 10 30 DGEERN Cc1ccc(NN=Cc2cccc(Br)c2O)nc1 ZINC000727260517 576116746 /nfs/dbraw/zinc/11/67/46/576116746.db2.gz YZKNFDYCSKDFCU-UHFFFAOYSA-N 0 0 306.163 3.304 10 30 DGEERN C#CCOc1ccc(C=NNc2ccc(C)cn2)cc1OCC ZINC000727260213 576116793 /nfs/dbraw/zinc/11/67/93/576116793.db2.gz SJMSTJWOLOGAGA-UHFFFAOYSA-N 0 0 309.369 3.247 10 30 DGEERN C=C(C)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000727878296 576150975 /nfs/dbraw/zinc/15/09/75/576150975.db2.gz IBUQNXYIIILXLO-QGZVFWFLSA-N 0 0 315.413 3.105 10 30 DGEERN C#Cc1cccc(N(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000728482072 576184357 /nfs/dbraw/zinc/18/43/57/576184357.db2.gz FJMSIULQUUNXLL-KRWDZBQOSA-N 0 0 311.768 3.288 10 30 DGEERN C#CCSCCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000154865870 620732730 /nfs/dbraw/zinc/73/27/30/620732730.db2.gz QEDKFBWFGOOKEF-GFCCVEGCSA-N 0 0 310.850 3.409 10 30 DGEERN N#C[C@H](COC(=O)C[C@H]1CSCCS1)Cc1ccccc1 ZINC000155015625 620755609 /nfs/dbraw/zinc/75/56/09/620755609.db2.gz LEVXKHVXPQFJTG-CABCVRRESA-N 0 0 321.467 3.151 10 30 DGEERN Cc1cc(Cl)ncc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000135965403 618021444 /nfs/dbraw/zinc/02/14/44/618021444.db2.gz BNMMRPCRGKLCKT-LLVKDONJSA-N 0 0 315.760 3.321 10 30 DGEERN CCCCCCCCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112065858 620789363 /nfs/dbraw/zinc/78/93/63/620789363.db2.gz KBKMZFVAVURBDB-QGZVFWFLSA-N 0 0 321.465 3.170 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000112149149 620794241 /nfs/dbraw/zinc/79/42/41/620794241.db2.gz XYUPYFGUWBYHDC-GDBMZVCRSA-N 0 0 322.412 3.060 10 30 DGEERN Cc1noc2ncc(CN3C[C@@H](c4ccccc4)[C@H](C#N)C3)cc12 ZINC000894847156 618474218 /nfs/dbraw/zinc/47/42/18/618474218.db2.gz BQROVFRMJSRGAU-AEFFLSMTSA-N 0 0 318.380 3.270 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)CCc1ccc(C#N)cc1 ZINC000030761845 620493705 /nfs/dbraw/zinc/49/37/05/620493705.db2.gz PWVIXPZCZPNWKE-UHFFFAOYSA-N 0 0 313.788 3.198 10 30 DGEERN C#C[C@H](OC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000152514028 620511078 /nfs/dbraw/zinc/51/10/78/620511078.db2.gz MXGMTAVYBJJSMO-HNNXBMFYSA-N 0 0 300.745 3.094 10 30 DGEERN C#C[C@@H](OC(=O)c1ccc(C(=O)N(CC)CCC)cc1)C1CC1 ZINC000152606034 620514530 /nfs/dbraw/zinc/51/45/30/620514530.db2.gz MTCMPNFNCVVVFX-QGZVFWFLSA-N 0 0 313.397 3.127 10 30 DGEERN C#C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C1CC1 ZINC000152710554 620519097 /nfs/dbraw/zinc/51/90/97/620519097.db2.gz UVNFGCSXVIKCDJ-ZWNOBZJWSA-N 0 0 312.287 3.428 10 30 DGEERN C#C[C@@H](OC(=O)COc1ccc(/C=C/C)cc1OC)C1CC1 ZINC000152735270 620520105 /nfs/dbraw/zinc/52/01/05/620520105.db2.gz HTPOKYZNNKUWPE-CSPWOOARSA-N 0 0 300.354 3.062 10 30 DGEERN C#Cc1cccc(N(C)C(=O)COc2ccc(C(=O)CC)cc2)c1 ZINC000103032692 621223948 /nfs/dbraw/zinc/22/39/48/621223948.db2.gz UPBQXFKTOMOHFZ-UHFFFAOYSA-N 0 0 321.376 3.302 10 30 DGEERN COC(=O)c1cnc(/C=C/c2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000103250776 621306041 /nfs/dbraw/zinc/30/60/41/621306041.db2.gz AVUHNHSJGWYBEL-BWNDKRECSA-N 0 0 314.366 3.391 10 30 DGEERN C#CCN(C(=O)NCc1ccccc1OCC=C)C1CCCC1 ZINC000121090614 622129528 /nfs/dbraw/zinc/12/95/28/622129528.db2.gz QZPGRIGMZXPCIR-UHFFFAOYSA-N 0 0 312.413 3.339 10 30 DGEERN C#CCN(C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F)C1CCCC1 ZINC000121675072 622171292 /nfs/dbraw/zinc/17/12/92/622171292.db2.gz RITLOMYFIKRUHK-CJNGLKHVSA-N 0 0 318.367 3.408 10 30 DGEERN COc1cc(C(=O)/C=C/c2cccc3c2OCO3)ccc1F ZINC000122515184 622338398 /nfs/dbraw/zinc/33/83/98/622338398.db2.gz NFWKPCPFQDVVGF-SOFGYWHQSA-N 0 0 300.285 3.459 10 30 DGEERN C#CCN(CC#C)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000123023454 622447329 /nfs/dbraw/zinc/44/73/29/622447329.db2.gz JUHNPKMNRXUZKL-ZDUSSCGKSA-N 0 0 318.214 3.038 10 30 DGEERN COc1cccc(C#CCOC(=O)C2CCC(F)(F)CC2)c1 ZINC000129261281 625569828 /nfs/dbraw/zinc/56/98/28/625569828.db2.gz NGKKTQVPJKAQPW-UHFFFAOYSA-N 0 0 308.324 3.415 10 30 DGEERN C=C[C@@H](CC(=O)OCCCn1ccccc1=O)c1ccccc1 ZINC000123954153 622805338 /nfs/dbraw/zinc/80/53/38/622805338.db2.gz CPQWIKAQBYGTGF-INIZCTEOSA-N 0 0 311.381 3.142 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1-c1cccc(C)c1 ZINC000124047565 622893233 /nfs/dbraw/zinc/89/32/33/622893233.db2.gz GMPMKMLTQHHQGC-UHFFFAOYSA-N 0 0 318.380 3.354 10 30 DGEERN CCOc1cc(C=O)ccc1OCc1ccc(OC)c(C#N)c1 ZINC000125005982 623272715 /nfs/dbraw/zinc/27/27/15/623272715.db2.gz JIILWFKGOXOYKI-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN C[C@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000125428981 623452203 /nfs/dbraw/zinc/45/22/03/623452203.db2.gz GRAQVRBXIAAUKI-KDOFPFPSSA-N 0 0 318.380 3.022 10 30 DGEERN C[C@H](OC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C#N ZINC000125966674 623624598 /nfs/dbraw/zinc/62/45/98/623624598.db2.gz DSIVLQPWOCPSJZ-STQMWFEESA-N 0 0 324.421 3.115 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000126155615 623699744 /nfs/dbraw/zinc/69/97/44/623699744.db2.gz SQJDGDXTXJJREM-HIFRSBDPSA-N 0 0 304.390 3.232 10 30 DGEERN N#C[C@@H](COC(=O)C(C1CC1)C1CC1)Cc1ccc(F)cc1 ZINC000126662587 623994749 /nfs/dbraw/zinc/99/47/49/623994749.db2.gz DNPOQVPCTWMLCQ-ZDUSSCGKSA-N 0 0 301.361 3.487 10 30 DGEERN CC1(OC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000126815887 624115450 /nfs/dbraw/zinc/11/54/50/624115450.db2.gz LGRZUKATYUJYJK-UHFFFAOYSA-N 0 0 314.385 3.199 10 30 DGEERN C[C@H](OC(=O)CCCc1nc(C(C)(C)C)no1)C(C)(C)C#N ZINC000130624735 625881289 /nfs/dbraw/zinc/88/12/89/625881289.db2.gz MUVJROOFRGYVSI-NSHDSACASA-N 0 0 307.394 3.171 10 30 DGEERN CC(=O)[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000213887963 625900275 /nfs/dbraw/zinc/90/02/75/625900275.db2.gz LCWOVEWWWCNBMX-LBPRGKRZSA-N 0 0 307.191 3.126 10 30 DGEERN CCO[C@H]1C[C@H](OC(=O)CCc2ccc(C#N)cc2)C12CCC2 ZINC000130827755 625907957 /nfs/dbraw/zinc/90/79/57/625907957.db2.gz ZWMGDOSAJUGTQK-IRXDYDNUSA-N 0 0 313.397 3.382 10 30 DGEERN C[C@H](OC(=O)Cc1cccc(Br)c1)C(C)(C)C#N ZINC000131138501 625949846 /nfs/dbraw/zinc/94/98/46/625949846.db2.gz KAUZBQUIBJWNLR-JTQLQIEISA-N 0 0 310.191 3.473 10 30 DGEERN C[C@@H](OC(=O)CCC(=O)c1ccc(F)c(F)c1)C(C)(C)C#N ZINC000131439805 626638720 /nfs/dbraw/zinc/63/87/20/626638720.db2.gz WEKSQWVOJJSVCU-SNVBAGLBSA-N 0 0 309.312 3.409 10 30 DGEERN C[C@H](OC(=O)CCC(=O)c1ccc(F)c(F)c1)C(C)(C)C#N ZINC000131439574 626639049 /nfs/dbraw/zinc/63/90/49/626639049.db2.gz WEKSQWVOJJSVCU-JTQLQIEISA-N 0 0 309.312 3.409 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1cc(F)cc(Br)c1 ZINC000131503087 626646030 /nfs/dbraw/zinc/64/60/30/626646030.db2.gz UJUWLTUGAOWSBG-UHFFFAOYSA-N 0 0 323.121 3.018 10 30 DGEERN C=CCCCN(C)C(=O)CSC(=S)N1CCC(C)CC1 ZINC000135078705 626904734 /nfs/dbraw/zinc/90/47/34/626904734.db2.gz XJTCWHGZXXGBHH-UHFFFAOYSA-N 0 0 314.520 3.161 10 30 DGEERN C=C(COc1ccc(F)c(Br)c1)C(=O)OCC ZINC000137481581 627127467 /nfs/dbraw/zinc/12/74/67/627127467.db2.gz WNYXJHLVTNRRPJ-UHFFFAOYSA-N 0 0 303.127 3.086 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)c1cccc2ccccc21 ZINC000104557056 630473494 /nfs/dbraw/zinc/47/34/94/630473494.db2.gz KYNSHBLSJFNHLL-UHFFFAOYSA-N 0 0 311.381 3.421 10 30 DGEERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)O[C@H](C#N)C(C)C)cc1 ZINC000121602935 630703667 /nfs/dbraw/zinc/70/36/67/630703667.db2.gz OOQSDUJJBBCUPP-WMLDXEAASA-N 0 0 317.385 3.067 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)OCC#Cc2ccccc2)c1 ZINC000106986658 631496416 /nfs/dbraw/zinc/49/64/16/631496416.db2.gz NUGOOIDYODDLME-MOPGFXCFSA-N 0 0 306.361 3.394 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(C)nn1CC ZINC000107060244 631517643 /nfs/dbraw/zinc/51/76/43/631517643.db2.gz WCTBNTRREHNJOK-AWEZNQCLSA-N 0 0 312.369 3.141 10 30 DGEERN C#CCOc1ccccc1OC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000107190622 631559483 /nfs/dbraw/zinc/55/94/83/631559483.db2.gz HWKXGUIMBGKYGY-IRXDYDNUSA-N 0 0 322.360 3.416 10 30 DGEERN C#CCOc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000108183953 631823412 /nfs/dbraw/zinc/82/34/12/631823412.db2.gz QJAPSFISLGTBIQ-UHFFFAOYSA-N 0 0 320.142 3.306 10 30 DGEERN C=C(Br)CSc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000109714346 632290651 /nfs/dbraw/zinc/29/06/51/632290651.db2.gz SVMITJHBKYTTRV-UHFFFAOYSA-N 0 0 315.114 3.202 10 30 DGEERN C=CCOc1ccc(C(=O)OCC(C)(C)CC#N)cc1OC ZINC000184796081 660187740 /nfs/dbraw/zinc/18/77/40/660187740.db2.gz RACCBGQPSCCAAH-UHFFFAOYSA-N 0 0 303.358 3.357 10 30 DGEERN Cc1cccnc1/C=C/C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000185318366 660215050 /nfs/dbraw/zinc/21/50/50/660215050.db2.gz WATFERBGQKNPCR-UZYOAWRESA-N 0 0 312.394 3.390 10 30 DGEERN C#CCC(C)(C)COC(=O)C(C)(C)CNC(=O)OC(C)(C)C ZINC000185342702 660216862 /nfs/dbraw/zinc/21/68/62/660216862.db2.gz VDFRMSPHGDGHBB-UHFFFAOYSA-N 0 0 311.422 3.130 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CC1(Cl)Cl ZINC000131312827 660303450 /nfs/dbraw/zinc/30/34/50/660303450.db2.gz QCSZFWQXUGTHLW-GXSJLCMTSA-N 0 0 314.168 3.063 10 30 DGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cccs1 ZINC000073720576 660534714 /nfs/dbraw/zinc/53/47/14/660534714.db2.gz WHJCLSVFCPMYKT-UHFFFAOYSA-N 0 0 317.414 3.151 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)C1(c2ccc(F)cc2)CC1 ZINC000074045695 660602010 /nfs/dbraw/zinc/60/20/10/660602010.db2.gz DNAWCVKWLZRKBH-UHFFFAOYSA-N 0 0 311.312 3.343 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000700589755 660630181 /nfs/dbraw/zinc/63/01/81/660630181.db2.gz NMNBDDBXFAWNMR-CYBMUJFWSA-N 0 0 307.846 3.445 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700941659 660646984 /nfs/dbraw/zinc/64/69/84/660646984.db2.gz QMDVHCBPKGIKBY-SECBINFHSA-N 0 0 313.170 3.021 10 30 DGEERN C=C(COc1c(F)cccc1Br)C(=O)OCC ZINC000707045808 660885160 /nfs/dbraw/zinc/88/51/60/660885160.db2.gz JEQUVNONJAWOHC-UHFFFAOYSA-N 0 0 303.127 3.086 10 30 DGEERN C#C[C@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000709575010 660929477 /nfs/dbraw/zinc/92/94/77/660929477.db2.gz NXTBKRZIOUKCSG-JTQLQIEISA-N 0 0 310.166 3.074 10 30 DGEERN C#C[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000709611603 660929964 /nfs/dbraw/zinc/92/99/64/660929964.db2.gz HDXLPPRUHIFNBD-JTQLQIEISA-N 0 0 307.166 3.309 10 30 DGEERN C#CCCCS(=O)(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000710090786 660932130 /nfs/dbraw/zinc/93/21/30/660932130.db2.gz PHMXMOYBRSUNJD-SNVBAGLBSA-N 0 0 320.241 3.387 10 30 DGEERN Cc1cc(C#N)ccc1OS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175257526 655523125 /nfs/dbraw/zinc/52/31/25/655523125.db2.gz QLYSPDRSOPESNP-CMDGGOBGSA-N 0 0 317.341 3.385 10 30 DGEERN C=C[C@H](C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000187599748 655552296 /nfs/dbraw/zinc/55/22/96/655552296.db2.gz SJGSSUASIVCGRZ-AWEZNQCLSA-N 0 0 309.365 3.201 10 30 DGEERN CCOc1ccc(O)c(/C=N\[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000255077466 655592733 /nfs/dbraw/zinc/59/27/33/655592733.db2.gz HMWONXIGNZVRMT-ZDFPAGSVSA-N 0 0 315.417 3.191 10 30 DGEERN C#CCN(C(=O)N[C@H](C)c1nc2ccccc2[nH]1)C1CCCC1 ZINC000177317102 655599833 /nfs/dbraw/zinc/59/98/33/655599833.db2.gz JOGMKKIDQWXSEI-CYBMUJFWSA-N 0 0 310.401 3.211 10 30 DGEERN C/C(=C/C(=O)N[C@H](C#N)C1CC1)c1ccccc1OC(F)F ZINC000255114477 655601338 /nfs/dbraw/zinc/60/13/38/655601338.db2.gz OTFHMBICRUMQKU-CHOZFAJLSA-N 0 0 306.312 3.110 10 30 DGEERN C=C(CSc1ncccc1Br)C(=O)OCC ZINC000070614571 655606814 /nfs/dbraw/zinc/60/68/14/655606814.db2.gz ZXJQPHWAWFYCCP-UHFFFAOYSA-N 0 0 302.193 3.056 10 30 DGEERN COc1ccc(C)cc1C(=O)/C=C\c1cnc2ccc(C#N)cn12 ZINC000255263823 655674750 /nfs/dbraw/zinc/67/47/50/655674750.db2.gz VKFUXALCUWVTOL-WAYWQWQTSA-N 0 0 317.348 3.419 10 30 DGEERN N#C[C@H](OC(=O)/C=C\c1ccccc1OC(F)(F)F)C1CC1 ZINC000255317229 655698104 /nfs/dbraw/zinc/69/81/04/655698104.db2.gz WKDCAXAKEODGST-WSROAFLRSA-N 0 0 311.259 3.444 10 30 DGEERN COc1ccccc1CCN(C)C(=O)/C=C\c1ccccc1C#N ZINC000255326667 655699482 /nfs/dbraw/zinc/69/94/82/655699482.db2.gz CIEWPUXITVBWOJ-QXMHVHEDSA-N 0 0 320.392 3.281 10 30 DGEERN N#CC(C(=O)NC1CCCC1)=C(O)C=Cc1ccccc1Cl ZINC000255329518 655701328 /nfs/dbraw/zinc/70/13/28/655701328.db2.gz OVHCJYZOXNMRJJ-CFYYFVFUSA-N 0 0 316.788 3.121 10 30 DGEERN C=CCc1ccccc1OC(=O)c1ccc([S@](C)=O)cc1 ZINC000069837142 655703927 /nfs/dbraw/zinc/70/39/27/655703927.db2.gz WLAKWSKXWKYSSC-OAQYLSRUSA-N 0 0 300.379 3.372 10 30 DGEERN CON=Cc1ccc(C(=O)NCCCc2cccc(F)c2)cc1 ZINC000255365748 655709414 /nfs/dbraw/zinc/70/94/14/655709414.db2.gz HIDZDAKMBVQQHB-UHFFFAOYSA-N 0 0 314.360 3.169 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](C#N)CC ZINC000255372614 655720478 /nfs/dbraw/zinc/72/04/78/655720478.db2.gz ULXPWYOBMLTEKF-ZBTGYSDGSA-N 0 0 323.396 3.455 10 30 DGEERN CC[C@H](Nc1ncc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000723857619 655726400 /nfs/dbraw/zinc/72/64/00/655726400.db2.gz JLLRCBVSEUZVGT-GWCFXTLKSA-N 0 0 324.222 3.333 10 30 DGEERN CC/C=C\COC(=O)CCCOc1ccc(C#N)cc1OC ZINC000255413542 655740071 /nfs/dbraw/zinc/74/00/71/655740071.db2.gz SYECVXXSHDNLBS-PLNGDYQASA-N 0 0 303.358 3.235 10 30 DGEERN CC(=NOCc1nsc(N(C)C)n1)c1cc2ccccc2o1 ZINC000255470228 655757436 /nfs/dbraw/zinc/75/74/36/655757436.db2.gz VXWJKPXHNHMDJJ-UHFFFAOYSA-N 0 0 316.386 3.291 10 30 DGEERN C=C1CCC(CNC(=O)c2ccncc2Br)CC1 ZINC000724458837 655766978 /nfs/dbraw/zinc/76/69/78/655766978.db2.gz ADIYCJVRUGRVQH-UHFFFAOYSA-N 0 0 309.207 3.320 10 30 DGEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)CSC(C)(C)C)c1 ZINC000127685766 655778668 /nfs/dbraw/zinc/77/86/68/655778668.db2.gz DDCGOUQNEZAJGI-CYBMUJFWSA-N 0 0 304.415 3.174 10 30 DGEERN N#Cc1ccc2ncc(/C=C3/Cc4ccc(F)cc4C3=O)n2c1 ZINC000255520109 655789922 /nfs/dbraw/zinc/78/99/22/655789922.db2.gz QDAWBXCNUPHOPZ-MLPAPPSSSA-N 0 0 303.296 3.167 10 30 DGEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000158751544 655790628 /nfs/dbraw/zinc/79/06/28/655790628.db2.gz XQUZJIMKJHEURC-YESZJQIVSA-N 0 0 312.413 3.147 10 30 DGEERN CCCCCCNC(=O)[C@H](C#N)C(=O)CCc1ccc(C)cc1 ZINC000069911100 655806324 /nfs/dbraw/zinc/80/63/24/655806324.db2.gz RIFBRELCBRIKQC-QGZVFWFLSA-N 0 0 314.429 3.333 10 30 DGEERN C#Cc1cccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)c1 ZINC000155736412 655810212 /nfs/dbraw/zinc/81/02/12/655810212.db2.gz ABRKBOFOSTWMBF-WBVHZDCISA-N 0 0 300.402 3.121 10 30 DGEERN C#Cc1cccc(NS(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176681085 655810968 /nfs/dbraw/zinc/81/09/68/655810968.db2.gz FWJCVYOSRVWVLL-ZHACJKMWSA-N 0 0 301.342 3.220 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1c(Cl)cccc1C(F)(F)F ZINC000712612141 661189503 /nfs/dbraw/zinc/18/95/03/661189503.db2.gz DEPRVYZXLXNWDL-MRVPVSSYSA-N 0 0 307.699 3.026 10 30 DGEERN Cc1nc(C#N)cc(NCCc2sccc2Br)n1 ZINC000713068437 661190228 /nfs/dbraw/zinc/19/02/28/661190228.db2.gz MNWWWGSHYUZPPR-UHFFFAOYSA-N 0 0 323.219 3.135 10 30 DGEERN N#C[C@@H](C(=O)CCCOc1ccc(F)cc1F)c1ccccn1 ZINC000065650470 655847528 /nfs/dbraw/zinc/84/75/28/655847528.db2.gz AOHPIJJHHZRGDA-CYBMUJFWSA-N 0 0 316.307 3.395 10 30 DGEERN C=CCC[C@H](OC(=O)CCc1cccc(C(=O)NC)c1)C1CC1 ZINC000159503924 655848541 /nfs/dbraw/zinc/84/85/41/655848541.db2.gz AKXIMRKSVMEZRY-KRWDZBQOSA-N 0 0 315.413 3.267 10 30 DGEERN N#Cc1ccc(CNC(=O)/C=C/c2ccnc(Cl)c2)c(F)c1 ZINC000179079719 655849478 /nfs/dbraw/zinc/84/94/78/655849478.db2.gz XQSMPGHEAMIHLS-DUXPYHPUSA-N 0 0 315.735 3.075 10 30 DGEERN CCOC(=O)c1csc(N=NCc2ccccc2Cl)n1 ZINC000254317913 655857703 /nfs/dbraw/zinc/85/77/03/655857703.db2.gz FEOMLPHBCPCLMB-UHFFFAOYSA-N 0 0 309.778 3.419 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@H](C)Cc1ccc(OC)cc1 ZINC000187593292 655866054 /nfs/dbraw/zinc/86/60/54/655866054.db2.gz HZCTZJINCJENPC-KDOFPFPSSA-N 0 0 306.402 3.398 10 30 DGEERN N#C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CC1 ZINC000177019470 655886291 /nfs/dbraw/zinc/88/62/91/655886291.db2.gz CXWRWFCKWNSODY-IHRRRGAJSA-N 0 0 320.186 3.398 10 30 DGEERN N#Cc1ccc2ncc(/C=C/C(=O)c3ccc(Cl)nc3)n2c1 ZINC000179414201 655892490 /nfs/dbraw/zinc/89/24/90/655892490.db2.gz VRBSTAILUARHOP-ONEGZZNKSA-N 0 0 308.728 3.150 10 30 DGEERN Cc1ccc(C#N)cc1OS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000177067873 655893488 /nfs/dbraw/zinc/89/34/88/655893488.db2.gz UDIXBZVQKJKOCA-CMDGGOBGSA-N 0 0 317.341 3.385 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)NCCc1cc(F)ccc1F ZINC000177095748 655907904 /nfs/dbraw/zinc/90/79/04/655907904.db2.gz ZIXCRGMARDKGEP-VMPITWQZSA-N 0 0 312.319 3.209 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C(C)C ZINC000177718328 655943280 /nfs/dbraw/zinc/94/32/80/655943280.db2.gz BFPVIZDGOZJYPE-RHSMWYFYSA-N 0 0 302.370 3.248 10 30 DGEERN C#CC[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000177736136 655944080 /nfs/dbraw/zinc/94/40/80/655944080.db2.gz HZJAWIZQCZIFOI-CQSZACIVSA-N 0 0 307.371 3.278 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1ccc(OC)c(OC)c1)C(C)C ZINC000177739319 655944483 /nfs/dbraw/zinc/94/44/83/655944483.db2.gz IAZWLIHARYGBEI-OAHLLOKOSA-N 0 0 304.386 3.228 10 30 DGEERN N#CC1(COC(=O)CC23CC4CC(CC(C4)C2)C3)CCOCC1 ZINC000183914678 656115904 /nfs/dbraw/zinc/11/59/04/656115904.db2.gz RIUNEMQEHZZRLL-UHFFFAOYSA-N 0 0 317.429 3.456 10 30 DGEERN N#CC1(COC(=O)c2cc3c(s2)CCCCC3)CCOCC1 ZINC000183996212 656116190 /nfs/dbraw/zinc/11/61/90/656116190.db2.gz VPCJRBYZIDKLHQ-UHFFFAOYSA-N 0 0 319.426 3.494 10 30 DGEERN C[C@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C(C)(C)C#N ZINC000192266082 656177338 /nfs/dbraw/zinc/17/73/38/656177338.db2.gz WKGKNZQSDNAAMN-QMMMGPOBSA-N 0 0 317.254 3.072 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000195043131 656207960 /nfs/dbraw/zinc/20/79/60/656207960.db2.gz IVQVNBPJLPVUAU-LLVKDONJSA-N 0 0 308.403 3.481 10 30 DGEERN COCCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000195280972 656248133 /nfs/dbraw/zinc/24/81/33/656248133.db2.gz PZEDLTFDQMLVPN-NSHDSACASA-N 0 0 321.327 3.424 10 30 DGEERN CC(C)n1cc2cc(NC(=O)N[C@H]3CCC[C@H]3C#N)ccc2n1 ZINC000332900536 656249873 /nfs/dbraw/zinc/24/98/73/656249873.db2.gz OAASBULCEIHDFU-WFASDCNBSA-N 0 0 311.389 3.431 10 30 DGEERN N#Cc1ccc(F)cc1CN1CCS[C@@H](C(F)(F)F)C1 ZINC000721387856 656445785 /nfs/dbraw/zinc/44/57/85/656445785.db2.gz HRUFEPMETUGSGK-GFCCVEGCSA-N 0 0 304.312 3.177 10 30 DGEERN CN(C)Cc1csc(CNc2ccc(Cl)cc2C#N)n1 ZINC000722392034 656656389 /nfs/dbraw/zinc/65/63/89/656656389.db2.gz LHGVDZDCIXPAOP-UHFFFAOYSA-N 0 0 306.822 3.342 10 30 DGEERN C=C[C@H](CC)OC(=O)c1ccc(CSc2nccn2C)o1 ZINC000181206536 657368668 /nfs/dbraw/zinc/36/86/68/657368668.db2.gz VBQNFJZFOHMJPA-LLVKDONJSA-N 0 0 306.387 3.427 10 30 DGEERN C#CCOCCC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191944554 657378877 /nfs/dbraw/zinc/37/88/77/657378877.db2.gz MSIYHZXPWFAWQU-UHFFFAOYSA-N 0 0 313.319 3.008 10 30 DGEERN CC#CCCCCOC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000183943804 657383171 /nfs/dbraw/zinc/38/31/71/657383171.db2.gz XFBKWIQXVLLNKL-UHFFFAOYSA-N 0 0 318.398 3.468 10 30 DGEERN C=CCOc1ccc(COC(=O)c2cnn3c2CCCC3)cc1 ZINC000186194632 657406009 /nfs/dbraw/zinc/40/60/09/657406009.db2.gz JTTIWDIJFWPXNP-UHFFFAOYSA-N 0 0 312.369 3.141 10 30 DGEERN N#C[C@@H](COC(=O)CCc1ccncc1)Cc1ccc(F)cc1 ZINC000179038292 657431849 /nfs/dbraw/zinc/43/18/49/657431849.db2.gz PNAVDMBLADDFEO-INIZCTEOSA-N 0 0 312.344 3.079 10 30 DGEERN C=CCn1c(C)nnc1SC[C@@H](O)c1cc(C)cc(C)c1 ZINC000304293369 657622591 /nfs/dbraw/zinc/62/25/91/657622591.db2.gz GZBWOPWMGHBDJQ-OAHLLOKOSA-N 0 0 303.431 3.215 10 30 DGEERN C=CCC[C@@H](OC(=O)c1cnn(-c2ccccn2)c1C)C1CC1 ZINC000179233607 658387654 /nfs/dbraw/zinc/38/76/54/658387654.db2.gz OFHUVJZROSRKHH-MRXNPFEDSA-N 0 0 311.385 3.477 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)C[C@H]1CCCCO1 ZINC000088810366 658640551 /nfs/dbraw/zinc/64/05/51/658640551.db2.gz FJRCEBSUPZFWKG-LSDHHAIUSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)C[C@@H]1CCCCO1 ZINC000088810365 658640641 /nfs/dbraw/zinc/64/06/41/658640641.db2.gz FJRCEBSUPZFWKG-CABCVRRESA-N 0 0 302.370 3.262 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000067800974 658745562 /nfs/dbraw/zinc/74/55/62/658745562.db2.gz DYFVVGZSYRYCNV-CHWSQXEVSA-N 0 0 306.358 3.043 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C1CCCC1 ZINC000163862874 658904610 /nfs/dbraw/zinc/90/46/10/658904610.db2.gz NQAORRFCSHNLDR-GDBMZVCRSA-N 0 0 303.352 3.473 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000156376277 658915900 /nfs/dbraw/zinc/91/59/00/658915900.db2.gz HFBNCJFXCGCHCB-GFCCVEGCSA-N 0 0 301.264 3.219 10 30 DGEERN C[C@H](C(=O)O[C@@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000156389746 658917558 /nfs/dbraw/zinc/91/75/58/658917558.db2.gz GGFJAZULYXDYCA-ZANVPECISA-N 0 0 308.175 3.398 10 30 DGEERN CC(C)c1nnc2n1CCN(Cc1ccc(CC#N)cc1)[C@H]2C ZINC000439268944 658933004 /nfs/dbraw/zinc/93/30/04/658933004.db2.gz DLSZYPCAUZEDDE-AWEZNQCLSA-N 0 0 309.417 3.044 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000156766429 658942891 /nfs/dbraw/zinc/94/28/91/658942891.db2.gz VHDZEWXJHITIKC-HUUCEWRRSA-N 0 0 324.465 3.495 10 30 DGEERN Cc1nccn1CCCNc1c(C#N)cnc2ccc(F)cc21 ZINC000223149685 658964632 /nfs/dbraw/zinc/96/46/32/658964632.db2.gz QZISMMKZBVWTRL-UHFFFAOYSA-N 0 0 309.348 3.253 10 30 DGEERN Cc1nc(C)c(COC(=O)[C@H](C)Oc2ccccc2C#N)s1 ZINC000170686290 659226357 /nfs/dbraw/zinc/22/63/57/659226357.db2.gz HZDMOSJDGZHOND-NSHDSACASA-N 0 0 316.382 3.142 10 30 DGEERN CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCSC)cc1 ZINC000171481379 659282876 /nfs/dbraw/zinc/28/28/76/659282876.db2.gz WPUUOLJGOYPOMB-HNNXBMFYSA-N 0 0 318.442 3.430 10 30 DGEERN N#Cc1ccc(CNC(=O)NC/C=C/c2ccccc2)c(F)c1 ZINC000171854215 659301493 /nfs/dbraw/zinc/30/14/93/659301493.db2.gz TYIDENZCZDWZKS-QPJJXVBHSA-N 0 0 309.344 3.210 10 30 DGEERN CSCCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172349214 659331345 /nfs/dbraw/zinc/33/13/45/659331345.db2.gz TZZAWXJOOJYCII-GFCCVEGCSA-N 0 0 310.806 3.131 10 30 DGEERN C=CCCO[C@@H](C)C(=O)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000174373679 659429480 /nfs/dbraw/zinc/42/94/80/659429480.db2.gz ANSHNXPBJYPRDO-JKSUJKDBSA-N 0 0 303.402 3.037 10 30 DGEERN C#C[C@H](C)OC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000174415210 659432650 /nfs/dbraw/zinc/43/26/50/659432650.db2.gz VBYLFUBLSLNCGY-ZDUSSCGKSA-N 0 0 315.394 3.138 10 30 DGEERN COc1ccccc1[C@H](O)CNc1c(C#N)cnc2ccccc21 ZINC000174681829 659495161 /nfs/dbraw/zinc/49/51/61/659495161.db2.gz OCFGOPINDICQHV-QGZVFWFLSA-N 0 0 319.364 3.261 10 30 DGEERN COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C)nc1C ZINC000193707914 659713733 /nfs/dbraw/zinc/71/37/33/659713733.db2.gz DRZGMKVTERSYKA-UHFFFAOYSA-N 0 0 316.744 3.451 10 30 DGEERN C#Cc1cccc(N(C)S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000175268232 659918137 /nfs/dbraw/zinc/91/81/37/659918137.db2.gz NSFGPAVQUHPGDD-VAWYXSNFSA-N 0 0 315.369 3.244 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000175325630 659919024 /nfs/dbraw/zinc/91/90/24/659919024.db2.gz DYNLRELANCSFBQ-GFCCVEGCSA-N 0 0 310.296 3.255 10 30 DGEERN N#C[C@H](COC(=O)CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000175366802 659919106 /nfs/dbraw/zinc/91/91/06/659919106.db2.gz SUKUUUOTTZOFQD-SJORKVTESA-N 0 0 301.386 3.261 10 30 DGEERN C#CC[C@@H](OC(=O)c1cccc(OCCCOC)c1)C1CC1 ZINC000175347037 659919323 /nfs/dbraw/zinc/91/93/23/659919323.db2.gz HVGBNCHHDJXKMJ-QGZVFWFLSA-N 0 0 302.370 3.061 10 30 DGEERN COc1ccc(CCCC(=O)OCC(C)(C)C#N)c(OC)c1 ZINC000180097946 659951858 /nfs/dbraw/zinc/95/18/58/659951858.db2.gz OGRUZWXIHCSCBR-UHFFFAOYSA-N 0 0 305.374 3.119 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000180160117 659953423 /nfs/dbraw/zinc/95/34/23/659953423.db2.gz YQTCZQBCJIVADJ-HOCLYGCPSA-N 0 0 301.386 3.189 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 ZINC000068492123 659954945 /nfs/dbraw/zinc/95/49/45/659954945.db2.gz FMVSANXUGJLWDV-CQSZACIVSA-N 0 0 315.319 3.433 10 30 DGEERN C=C[C@@H](CC)OC(=O)c1ccc(OCc2noc(CC)n2)cc1 ZINC000181230637 659987675 /nfs/dbraw/zinc/98/76/75/659987675.db2.gz VXBUAIYTVDXTMX-ZDUSSCGKSA-N 0 0 316.357 3.332 10 30 DGEERN C=C[C@@H](CC)OC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000181224632 659987726 /nfs/dbraw/zinc/98/77/26/659987726.db2.gz VFXLRXYBAVMZQQ-MAUKXSAKSA-N 0 0 301.386 3.189 10 30 DGEERN C=C[C@H](CC)OC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000181233640 659988539 /nfs/dbraw/zinc/98/85/39/659988539.db2.gz MJEFDTVJFAPFCZ-CYBMUJFWSA-N 0 0 316.357 3.186 10 30 DGEERN COCc1ccsc1C(=O)OCC#Cc1cccc(OC)c1 ZINC000181755283 660018862 /nfs/dbraw/zinc/01/88/62/660018862.db2.gz XTBRKGFBNFDBCR-UHFFFAOYSA-N 0 0 316.378 3.112 10 30 DGEERN C=CCc1ccccc1OC(=O)CCc1nc(C(C)C)no1 ZINC000069837222 660024698 /nfs/dbraw/zinc/02/46/98/660024698.db2.gz TXDQATGWMGJEKU-UHFFFAOYSA-N 0 0 300.358 3.460 10 30 DGEERN COCCOc1ccc(C(=O)OCC2(C#N)CCCCC2)cc1 ZINC000183674245 660130255 /nfs/dbraw/zinc/13/02/55/660130255.db2.gz AGWZUNDLGKFVQD-UHFFFAOYSA-N 0 0 317.385 3.343 10 30 DGEERN CC[C@H](C)Oc1cc(C(=O)OCC2(C#N)CCCC2)ccn1 ZINC000183902375 660146412 /nfs/dbraw/zinc/14/64/12/660146412.db2.gz SUCJYQXQNYVWFG-ZDUSSCGKSA-N 0 0 302.374 3.500 10 30 DGEERN N#CC1(COC(=O)C2(c3ccccc3)CCCC2)CCOCC1 ZINC000183913697 660147367 /nfs/dbraw/zinc/14/73/67/660147367.db2.gz RCTYQCMEXZRRFJ-UHFFFAOYSA-N 0 0 313.397 3.362 10 30 DGEERN N#CC1(COC(=O)/C=C/c2ccnc3ccccc23)CCOCC1 ZINC000183935749 660148571 /nfs/dbraw/zinc/14/85/71/660148571.db2.gz OKQJJHFGPYRXCL-AATRIKPKSA-N 0 0 322.364 3.112 10 30 DGEERN N#CC1(COC(=O)c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000183936429 660148648 /nfs/dbraw/zinc/14/86/48/660148648.db2.gz WLEORWISQKFPTG-UHFFFAOYSA-N 0 0 313.275 3.183 10 30 DGEERN CC#CCCCCOC(=O)c1sc(-c2cnn(C)c2)nc1C ZINC000183955153 660149612 /nfs/dbraw/zinc/14/96/12/660149612.db2.gz YMEQVBBVSSYOSL-UHFFFAOYSA-N 0 0 317.414 3.202 10 30 DGEERN N#CC1(COC(=O)c2csc3ccccc23)CCOCC1 ZINC000183972166 660150805 /nfs/dbraw/zinc/15/08/05/660150805.db2.gz SWVLHOORMKULHB-UHFFFAOYSA-N 0 0 301.367 3.378 10 30 DGEERN Cc1ccccc1[C@H](C)CC(=O)OCC1(C#N)CCOCC1 ZINC000183982274 660151273 /nfs/dbraw/zinc/15/12/73/660151273.db2.gz KGGYFUPPNCVELK-OAHLLOKOSA-N 0 0 301.386 3.352 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OC1C[C@@H](C)O[C@H](C)C1 ZINC000184500798 660169949 /nfs/dbraw/zinc/16/99/49/660169949.db2.gz UIJXBNCVRBWZEC-CHWSQXEVSA-N 0 0 320.385 3.373 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)Cc1ccc2c(c1)CCC2 ZINC000187525387 661777672 /nfs/dbraw/zinc/77/76/72/661777672.db2.gz YHVHMDVFVVPELX-IBGZPJMESA-N 0 0 302.414 3.490 10 30 DGEERN C#CCN(CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000155837981 661853595 /nfs/dbraw/zinc/85/35/95/661853595.db2.gz JCLZBWVBZUNSDK-UHFFFAOYSA-N 0 0 322.355 3.104 10 30 DGEERN C=C[C@H](C)OC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000187549649 661870841 /nfs/dbraw/zinc/87/08/41/661870841.db2.gz LZCYBNYDKBMKHO-LBPRGKRZSA-N 0 0 307.415 3.035 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCc1ccn(-c2ccccc2)n1 ZINC000159064176 661882218 /nfs/dbraw/zinc/88/22/18/661882218.db2.gz YMYSUBKPYZOTEX-UHFFFAOYSA-N 0 0 317.348 3.409 10 30 DGEERN C#CC[C@@H](OC(=O)COc1cccc(C(C)=O)c1)C(C)(C)C ZINC000159743852 661894693 /nfs/dbraw/zinc/89/46/93/661894693.db2.gz ZOGPLMLFYCWMIA-MRXNPFEDSA-N 0 0 302.370 3.249 10 30 DGEERN C#CC[C@H](OC(=O)Cc1cccc(OCCOC)c1)C(C)(C)C ZINC000159865917 661897045 /nfs/dbraw/zinc/89/70/45/661897045.db2.gz SCVXZTUJOIXPDA-KRWDZBQOSA-N 0 0 318.413 3.236 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)C[C@@H]1OCCc2ccccc21 ZINC000187566644 661898867 /nfs/dbraw/zinc/89/88/67/661898867.db2.gz IZNYHRCDQPFXDE-HKUYNNGSSA-N 0 0 318.413 3.463 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000187677698 661902184 /nfs/dbraw/zinc/90/21/84/661902184.db2.gz XRAVPISKJJMPMN-UHFFFAOYSA-N 0 0 309.369 3.047 10 30 DGEERN CC[C@H](CC#N)OC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000187946250 661909059 /nfs/dbraw/zinc/90/90/59/661909059.db2.gz TWWOLAWWUFGHLK-CYBMUJFWSA-N 0 0 323.339 3.248 10 30 DGEERN C=CC[C@]1(C(=O)N2CCC[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000188482429 661932335 /nfs/dbraw/zinc/93/23/35/661932335.db2.gz RHNDMOCBTOTBQC-KBXCAEBGSA-N 0 0 322.449 3.343 10 30 DGEERN N#CCCN(CC1CC1)Cn1nc(C(F)(F)F)sc1=S ZINC000188664338 661938795 /nfs/dbraw/zinc/93/87/95/661938795.db2.gz FIYJMJBIGGXCPU-UHFFFAOYSA-N 0 0 322.381 3.276 10 30 DGEERN C=CC[C@H](OC(=O)COc1c(C)nn(C)c1C)c1ccccc1 ZINC000189202795 661968601 /nfs/dbraw/zinc/96/86/01/661968601.db2.gz MIRQVXSFSPCCOU-INIZCTEOSA-N 0 0 314.385 3.276 10 30 DGEERN C=CC[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000189221999 661969338 /nfs/dbraw/zinc/96/93/38/661969338.db2.gz NFJPQGPUXSFMPQ-OAHLLOKOSA-N 0 0 315.329 3.042 10 30 DGEERN C=CCOCCCC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 ZINC000076880715 662004263 /nfs/dbraw/zinc/00/42/63/662004263.db2.gz RQRPUPTYJNAFBH-CYBMUJFWSA-N 0 0 305.374 3.232 10 30 DGEERN C#CCOc1ccc(NC(=O)NC[C@](C)(O)CCC(C)C)cc1 ZINC000077704563 662037465 /nfs/dbraw/zinc/03/74/65/662037465.db2.gz UJPBALKKRVDVJG-GOSISDBHSA-N 0 0 318.417 3.007 10 30 DGEERN N#CC1(COC(=O)C2(Cc3ccccc3F)CC2)CCOCC1 ZINC000190847514 662047300 /nfs/dbraw/zinc/04/73/00/662047300.db2.gz FZPFOADKKAPTNH-UHFFFAOYSA-N 0 0 317.360 3.012 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ncccc1C(F)(F)F ZINC000191104602 662054349 /nfs/dbraw/zinc/05/43/49/662054349.db2.gz NNMDGUHTSSSOHJ-CQSZACIVSA-N 0 0 317.307 3.486 10 30 DGEERN C#CCCCC(=O)O[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000191276894 662058298 /nfs/dbraw/zinc/05/82/98/662058298.db2.gz GDZIZQXQIPHCRG-KBPBESRZSA-N 0 0 309.406 3.027 10 30 DGEERN C=CCCC(=O)O[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000191594390 662073552 /nfs/dbraw/zinc/07/35/52/662073552.db2.gz FJOFRXRUUWSERU-OAHLLOKOSA-N 0 0 302.349 3.176 10 30 DGEERN C=CC[C@@]1(C(=O)N(C)C2CCC2)CCCN1C(=O)OC(C)(C)C ZINC000191909556 662083288 /nfs/dbraw/zinc/08/32/88/662083288.db2.gz SGGPFFBOGNGCTQ-SFHVURJKSA-N 0 0 322.449 3.343 10 30 DGEERN CC(C)(C)OC(=O)NC[C@H]1CCCN1CC#Cc1ccccc1 ZINC000192048143 662086268 /nfs/dbraw/zinc/08/62/68/662086268.db2.gz XJPBCJRGWBVSQF-QGZVFWFLSA-N 0 0 314.429 3.027 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1c(C)nn(CC(C)C)c1C)C1CC1 ZINC000079209025 662103982 /nfs/dbraw/zinc/10/39/82/662103982.db2.gz CTJOIUBPPWHCIM-GOSISDBHSA-N 0 0 316.445 3.434 10 30 DGEERN CC(C)C(=O)N1CCC(/N=C/c2cc(Cl)ccc2O)CC1 ZINC000192754030 662110177 /nfs/dbraw/zinc/11/01/77/662110177.db2.gz ILUYAEZNKKTHJG-VCHYOVAHSA-N 0 0 308.809 3.112 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)CCn2c(C)csc2=O)CC1 ZINC000080405011 662140547 /nfs/dbraw/zinc/14/05/47/662140547.db2.gz LQGZKPHRCYUGHZ-HNNXBMFYSA-N 0 0 321.442 3.454 10 30 DGEERN N#CCOc1ccccc1C(=O)OCCCOC1CCCC1 ZINC000193634216 662142393 /nfs/dbraw/zinc/14/23/93/662142393.db2.gz XWCBSOUDDZWSPH-UHFFFAOYSA-N 0 0 303.358 3.095 10 30 DGEERN C=C(Br)COC(=O)/C=C/c1cnc2ccccc2n1 ZINC000193999260 662154136 /nfs/dbraw/zinc/15/41/36/662154136.db2.gz NFONPBRINYLLQY-VOTSOKGWSA-N 0 0 319.158 3.095 10 30 DGEERN Cc1cccc(CCCOC(=O)c2ccccc2OCC#N)n1 ZINC000194082361 662156581 /nfs/dbraw/zinc/15/65/81/662156581.db2.gz GTVRRLPLDYBSPB-UHFFFAOYSA-N 0 0 310.353 3.082 10 30 DGEERN C=CCSCCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000194529734 662167644 /nfs/dbraw/zinc/16/76/44/662167644.db2.gz DDERLSYZZDMGJO-FNORWQNLSA-N 0 0 322.386 3.112 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000088818317 662235732 /nfs/dbraw/zinc/23/57/32/662235732.db2.gz QZHTURPQUQIJOK-OAHLLOKOSA-N 0 0 315.319 3.433 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000245573011 662236800 /nfs/dbraw/zinc/23/68/00/662236800.db2.gz ZSLYKVVOQVPFSG-GVDBMIGSSA-N 0 0 311.381 3.371 10 30 DGEERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245762019 662240660 /nfs/dbraw/zinc/24/06/60/662240660.db2.gz PYTAXWPFHIOUIR-UONOGXRCSA-N 0 0 318.417 3.139 10 30 DGEERN COc1cccc(C(=O)OC[C@@H](C#N)Cc2cccs2)c1F ZINC000089297957 662240914 /nfs/dbraw/zinc/24/09/14/662240914.db2.gz MIFSABHWXKLQQM-LLVKDONJSA-N 0 0 319.357 3.435 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC000089311420 662241428 /nfs/dbraw/zinc/24/14/28/662241428.db2.gz AILVNVBLKYDBOB-CQSZACIVSA-N 0 0 324.442 3.311 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000089319898 662241781 /nfs/dbraw/zinc/24/17/81/662241781.db2.gz QWSCGYIWUBBULT-NVXWUHKLSA-N 0 0 315.413 3.384 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000089318570 662241878 /nfs/dbraw/zinc/24/18/78/662241878.db2.gz NDYCWVHSIBJIJH-SNVBAGLBSA-N 0 0 316.806 3.255 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000089319466 662241903 /nfs/dbraw/zinc/24/19/03/662241903.db2.gz DZDGTTYFMFQWFA-DOTOQJQBSA-N 0 0 315.413 3.437 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000089319028 662241932 /nfs/dbraw/zinc/24/19/32/662241932.db2.gz NVEMMCKBTXVOGL-TZMCWYRMSA-N 0 0 309.431 3.400 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000089319472 662241933 /nfs/dbraw/zinc/24/19/33/662241933.db2.gz DZDGTTYFMFQWFA-RDJZCZTQSA-N 0 0 315.413 3.437 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CN1c2ccccc2SCC1=O ZINC000089320944 662242264 /nfs/dbraw/zinc/24/22/64/662242264.db2.gz GCEMEYFYEMGRRX-GFCCVEGCSA-N 0 0 305.399 3.023 10 30 DGEERN Cc1ccccc1[C@H](C)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089589913 662245549 /nfs/dbraw/zinc/24/55/49/662245549.db2.gz PGJKIUQQIYPHCJ-HNNXBMFYSA-N 0 0 308.381 3.317 10 30 DGEERN CC1(C)CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089771962 662247638 /nfs/dbraw/zinc/24/76/38/662247638.db2.gz MXQNQEWQVLSVDE-UHFFFAOYSA-N 0 0 300.402 3.216 10 30 DGEERN C[C@@H]1CC[C@@H](CCC(=O)OC[C@@H](C#N)Cc2cccs2)O1 ZINC000246450163 662259946 /nfs/dbraw/zinc/25/99/46/662259946.db2.gz PFCUQBXVNNSMBR-MCIONIFRSA-N 0 0 307.415 3.321 10 30 DGEERN CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246677073 662270698 /nfs/dbraw/zinc/27/06/98/662270698.db2.gz ZDTYDIAKRHHIFK-HRCADAONSA-N 0 0 304.434 3.218 10 30 DGEERN CCOc1cccnc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000091698699 662312872 /nfs/dbraw/zinc/31/28/72/662312872.db2.gz MXGATLNEWKGMFT-HNNXBMFYSA-N 0 0 310.353 3.020 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000248518486 662351559 /nfs/dbraw/zinc/35/15/59/662351559.db2.gz PVKFOKBQMZJMQW-AGGWBTHJSA-N 0 0 320.385 3.373 10 30 DGEERN C#CCNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000388781931 1176914312 /nfs/dbraw/zinc/91/43/12/1176914312.db2.gz HGBNXVUCIPBCLR-UHFFFAOYSA-N 0 0 301.430 3.410 10 30 DGEERN C=CCCOCC(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000138362362 1177317717 /nfs/dbraw/zinc/31/77/17/1177317717.db2.gz FZGHDCGIFWNKTL-UHFFFAOYSA-N 0 0 305.374 3.175 10 30 DGEERN N#CCSc1cccc(C(=O)OCCCc2cccnc2)c1 ZINC000079382476 1196948432 /nfs/dbraw/zinc/94/84/32/1196948432.db2.gz TYSFAODCJXHPQZ-UHFFFAOYSA-N 0 0 312.394 3.487 10 30 DGEERN Cc1cc(C(=O)N(C)[C@H](C)CC#N)sc1Br ZINC000081747756 1197246084 /nfs/dbraw/zinc/24/60/84/1197246084.db2.gz HQLBTHPXBJMHBR-MRVPVSSYSA-N 0 0 301.209 3.193 10 30 DGEERN C[C@@H](Cc1ccsc1)N(C)CC(=O)Nc1sccc1C#N ZINC000081598989 1197237540 /nfs/dbraw/zinc/23/75/40/1197237540.db2.gz LMKDXFOIPITGCV-NSHDSACASA-N 0 0 319.455 3.183 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000321644144 1197686167 /nfs/dbraw/zinc/68/61/67/1197686167.db2.gz YTLMABYMGGRVLM-UHFFFAOYSA-N 0 0 319.445 3.171 10 30 DGEERN CC[C@H](CC#N)NC(=O)c1cc(C)c(Br)s1 ZINC000094535068 1198791957 /nfs/dbraw/zinc/79/19/57/1198791957.db2.gz XUOOCYHHAJBBBD-MRVPVSSYSA-N 0 0 301.209 3.241 10 30 DGEERN C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000302149772 1199479594 /nfs/dbraw/zinc/47/95/94/1199479594.db2.gz SWZQZFCTSUVQND-CQSZACIVSA-N 0 0 319.405 3.049 10 30 DGEERN N#Cc1ccc(CNc2cccc(Br)n2)cc1F ZINC000404554402 1199567380 /nfs/dbraw/zinc/56/73/80/1199567380.db2.gz AFTJDPMLOWFSHR-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN C#Cc1cccc(NC(=O)c2nscc2Br)c1 ZINC000404728760 1199579741 /nfs/dbraw/zinc/57/97/41/1199579741.db2.gz GNVWWNZUIARCGX-UHFFFAOYSA-N 0 0 307.172 3.139 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)c2ccnc(Br)c2)c1 ZINC000308117468 1199701970 /nfs/dbraw/zinc/70/19/70/1199701970.db2.gz AGLZFONNWDALKU-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN C=C(CC)CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000313480195 1199767276 /nfs/dbraw/zinc/76/72/76/1199767276.db2.gz IXBKLLDURHYJKY-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN C#CCN(C(=O)c1ccc(F)c(SC)c1)c1nccs1 ZINC000121409110 1200213382 /nfs/dbraw/zinc/21/33/82/1200213382.db2.gz ZJURXFQEFORORE-UHFFFAOYSA-N 0 0 306.387 3.284 10 30 DGEERN N#Cc1ccc(Br)cc1NCCCCn1ccnc1 ZINC000123221213 1200276382 /nfs/dbraw/zinc/27/63/82/1200276382.db2.gz OTXUMUZOPLPRBF-UHFFFAOYSA-N 0 0 319.206 3.410 10 30 DGEERN C=CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000136648273 1201213721 /nfs/dbraw/zinc/21/37/21/1201213721.db2.gz ICFDTVJAPUKZJL-TZMCWYRMSA-N 0 0 306.431 3.112 10 30 DGEERN C#CCCCCNC(=O)NCc1ccccc1OC(C)(C)C ZINC000151395597 1202592328 /nfs/dbraw/zinc/59/23/28/1202592328.db2.gz OFGWNMVPQQNWCK-UHFFFAOYSA-N 0 0 302.418 3.467 10 30 DGEERN CCC[C@](C)(O)CNc1ccc(C#N)c(Br)c1F ZINC000230687343 1202598526 /nfs/dbraw/zinc/59/85/26/1202598526.db2.gz ZJZNRWROIVTETN-ZDUSSCGKSA-N 0 0 315.186 3.423 10 30 DGEERN CC[C@H](C)NC(=O)[C@H](C)Nc1cc(Br)ccc1C#N ZINC000234020048 1202603202 /nfs/dbraw/zinc/60/32/02/1202603202.db2.gz DMBFEXPGEIKKCY-UWVGGRQHSA-N 0 0 324.222 3.036 10 30 DGEERN C[C@H](Nc1cc(Br)ccc1C#N)c1cnccn1 ZINC000235552360 1202604540 /nfs/dbraw/zinc/60/45/40/1202604540.db2.gz LOABIPKRRAPBBD-VIFPVBQESA-N 0 0 303.163 3.284 10 30 DGEERN C[C@@H]1OCC[C@@]1(C)Nc1ccc(C#N)c(Br)c1F ZINC000235464741 1202604548 /nfs/dbraw/zinc/60/45/48/1202604548.db2.gz WMVBMUMWTGDUNK-ISVAXAHUSA-N 0 0 313.170 3.439 10 30 DGEERN CCCCCCCCOCC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000161460393 1202682421 /nfs/dbraw/zinc/68/24/21/1202682421.db2.gz ZRLXZYGQALINDD-UHFFFAOYSA-N 0 0 322.331 3.139 10 30 DGEERN COc1ccc(/C(C)=C\C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000255603821 1203850124 /nfs/dbraw/zinc/85/01/24/1203850124.db2.gz HKRRWYRCOOBJBJ-LCYFTJDESA-N 0 0 324.355 3.426 10 30 DGEERN Cc1noc([C@@H](NC(=O)Nc2cc(C#N)ccc2C)C(C)C)n1 ZINC000171912325 1203857761 /nfs/dbraw/zinc/85/77/61/1203857761.db2.gz SHHCVRHBLQGFSH-AWEZNQCLSA-N 0 0 313.361 3.077 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000175601618 1203920513 /nfs/dbraw/zinc/92/05/13/1203920513.db2.gz XHFBPPSCNDXQCL-MSOLQXFVSA-N 0 0 306.365 3.320 10 30 DGEERN Cc1c(C(=O)/C=C\c2c(C3CC3)nc3sccn23)cnn1C ZINC000588397187 1082130487 /nfs/dbraw/zinc/13/04/87/1082130487.db2.gz UQBISWZPOAGQRU-WAYWQWQTSA-N 0 0 312.398 3.211 10 30 DGEERN C[C@H](ON=C1CCCOCC1)c1nnc(-c2ccccc2)o1 ZINC000588398450 1082140584 /nfs/dbraw/zinc/14/05/84/1082140584.db2.gz FKNXYJJOFNCOJX-LBPRGKRZSA-N 0 0 301.346 3.371 10 30 DGEERN CC(=Cc1ccc(C)cc1)C(O)=C(C#N)C(=O)NC1CCCC1 ZINC000588402162 1082143135 /nfs/dbraw/zinc/14/31/35/1082143135.db2.gz HQQHJPGSYZGLAI-VWILAXROSA-N 0 0 310.397 3.166 10 30 DGEERN COc1cc(/C=C\C(=O)c2cc(O)ccc2OC)cc(OC)c1 ZINC000588409647 1082167232 /nfs/dbraw/zinc/16/72/32/1082167232.db2.gz CLHZVNATUZYNHY-XQRVVYSFSA-N 0 0 314.337 3.314 10 30 DGEERN COc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1OC ZINC000588410379 1082170083 /nfs/dbraw/zinc/17/00/83/1082170083.db2.gz OSHAKZWEQSFXJF-DAXSKMNVSA-N 0 0 314.337 3.314 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588444499 1082289291 /nfs/dbraw/zinc/28/92/91/1082289291.db2.gz NSKMPDMOUHYNBQ-YFBAIUBQSA-N 0 0 304.365 3.246 10 30 DGEERN C#CCCCCCOC(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000588456574 1082334272 /nfs/dbraw/zinc/33/42/72/1082334272.db2.gz SDKNKHMSALGELY-BENRWUELSA-N 0 0 302.370 3.454 10 30 DGEERN C/C(=C/C(C)(C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000588499292 1082494271 /nfs/dbraw/zinc/49/42/71/1082494271.db2.gz XBDWTACWNRFTPX-WQLSENKSSA-N 0 0 309.373 3.070 10 30 DGEERN Cn1nccc1C(=O)/C=C\c1ccc(Br)c(F)c1 ZINC000588595203 1082830872 /nfs/dbraw/zinc/83/08/72/1082830872.db2.gz VMGVIMCFZLZKRF-HYXAFXHYSA-N 0 0 309.138 3.218 10 30 DGEERN N#CCOc1ccc(CNC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000176428182 1087736683 /nfs/dbraw/zinc/73/66/83/1087736683.db2.gz ARSZZLPMWUAYBW-DUXPYHPUSA-N 0 0 324.355 3.448 10 30 DGEERN C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000176428394 1087737223 /nfs/dbraw/zinc/73/72/23/1087737223.db2.gz AEIJCAJUZNLJIA-WYMLVPIESA-N 0 0 324.355 3.448 10 30 DGEERN COc1cccc(C#CCOC(=O)[C@H](C)c2cccc(OC)c2)c1 ZINC000176604692 1088184079 /nfs/dbraw/zinc/18/40/79/1088184079.db2.gz QXIALGPYKGJRMP-OAHLLOKOSA-N 0 0 324.376 3.402 10 30 DGEERN C=CCOc1ccccc1CNc1cc(C(N)=O)ccc1F ZINC000315663755 1095126700 /nfs/dbraw/zinc/12/67/00/1095126700.db2.gz PASFQXRFQIGINS-UHFFFAOYSA-N 0 0 300.333 3.102 10 30 DGEERN COC(=O)C1CCC(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181219946 199266869 /nfs/dbraw/zinc/26/68/69/199266869.db2.gz SYKDPRUAMOZXCL-JQRITLKVSA-N 0 0 315.369 3.142 10 30 DGEERN COCCOc1ccc(NC(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000162146805 197548174 /nfs/dbraw/zinc/54/81/74/197548174.db2.gz QZSBDIGRVSZSDP-UHFFFAOYSA-N 0 0 324.380 3.453 10 30 DGEERN C=CCNc1ncc(C(=O)N[C@H](CC)c2nccs2)s1 ZINC000129135995 432002359 /nfs/dbraw/zinc/00/23/59/432002359.db2.gz IXNWVNUJFOGPDZ-SECBINFHSA-N 0 0 308.432 3.079 10 30 DGEERN N#Cc1cccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000081832010 192330289 /nfs/dbraw/zinc/33/02/89/192330289.db2.gz LWAKNTSAFOAKKR-UHFFFAOYSA-N 0 0 319.408 3.479 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000077601911 334931326 /nfs/dbraw/zinc/93/13/26/334931326.db2.gz LMINXDMFOVNXKM-INIZCTEOSA-N 0 0 301.434 3.263 10 30 DGEERN N#Cc1csc(CNCc2ccc(Br)s2)n1 ZINC000309527202 231098640 /nfs/dbraw/zinc/09/86/40/231098640.db2.gz CDOHFXIJCBFFQF-UHFFFAOYSA-N 0 0 314.233 3.129 10 30 DGEERN CC(C)(C)c1nnsc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000087445653 185225434 /nfs/dbraw/zinc/22/54/34/185225434.db2.gz RICRITIEDXYNBS-UHFFFAOYSA-N 0 0 304.350 3.099 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[C@@H]1CCCO1 ZINC000062897860 432005226 /nfs/dbraw/zinc/00/52/26/432005226.db2.gz FMAYZXDXGUACNL-INIZCTEOSA-N 0 0 318.373 3.069 10 30 DGEERN CC[C@H](C#N)NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000160810129 529587459 /nfs/dbraw/zinc/58/74/59/529587459.db2.gz VVPHUJLJRSFWSH-SNVBAGLBSA-N 0 0 314.819 3.135 10 30 DGEERN CCc1cnc(CCNC(=O)Nc2ccc(F)c(C#N)c2)s1 ZINC000176089435 529639667 /nfs/dbraw/zinc/63/96/67/529639667.db2.gz FHVYGNWUNRMXLJ-UHFFFAOYSA-N 0 0 318.377 3.080 10 30 DGEERN CCc1nc(C(C)(C)NCc2ccc(Cl)cc2C#N)no1 ZINC000441280099 529714610 /nfs/dbraw/zinc/71/46/10/529714610.db2.gz RZIZRPGMNYFXIB-UHFFFAOYSA-N 0 0 304.781 3.182 10 30 DGEERN CN(CCNC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000181418592 529916826 /nfs/dbraw/zinc/91/68/26/529916826.db2.gz GNLPSQUVXMCEIA-UHFFFAOYSA-N 0 0 319.408 3.108 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000130023563 432013020 /nfs/dbraw/zinc/01/30/20/432013020.db2.gz HRALRAYESBFLCC-RDJZCZTQSA-N 0 0 324.380 3.188 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000448612883 282567216 /nfs/dbraw/zinc/56/72/16/282567216.db2.gz KVBNEQLOJIIZKJ-CYBMUJFWSA-N 0 0 315.373 3.003 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC)cc1Cl ZINC000277545281 213606581 /nfs/dbraw/zinc/60/65/81/213606581.db2.gz ZWCKKMUJWGJXTQ-IAQYHMDHSA-N 0 0 311.809 3.494 10 30 DGEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCOC1 ZINC000066956209 432024945 /nfs/dbraw/zinc/02/49/45/432024945.db2.gz PXCSURXOPUITNB-STQMWFEESA-N 0 0 319.430 3.381 10 30 DGEERN N#Cc1ccccc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253395337 186304190 /nfs/dbraw/zinc/30/41/90/186304190.db2.gz RZCKYPHUZDLKRM-QAPCUYQASA-N 0 0 314.335 3.144 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1cnc2ccccc2c1 ZINC000172363522 198086266 /nfs/dbraw/zinc/08/62/66/198086266.db2.gz JYOZAYCGWIELEO-UHFFFAOYSA-N 0 0 308.303 3.354 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000172554330 198114748 /nfs/dbraw/zinc/11/47/48/198114748.db2.gz QULSBIPLNWCAPU-SJLPKXTDSA-N 0 0 314.429 3.021 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000172554344 198115163 /nfs/dbraw/zinc/11/51/63/198115163.db2.gz QULSBIPLNWCAPU-WMZOPIPTSA-N 0 0 314.429 3.021 10 30 DGEERN CCOC(=O)c1c(C)csc1NC(=O)c1cccc(C#N)c1 ZINC000072513822 191185925 /nfs/dbraw/zinc/18/59/25/191185925.db2.gz CCESBRSWUUMMIU-UHFFFAOYSA-N 0 0 314.366 3.357 10 30 DGEERN C=CCOCCCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173953593 198271576 /nfs/dbraw/zinc/27/15/76/198271576.db2.gz BNNTXLIFQQBLBP-OAHLLOKOSA-N 0 0 313.401 3.032 10 30 DGEERN COC(=O)c1cc(F)ccc1COc1cccc(F)c1C#N ZINC000132129374 432044099 /nfs/dbraw/zinc/04/40/99/432044099.db2.gz QNZVWCPQDSPSNT-UHFFFAOYSA-N 0 0 303.264 3.202 10 30 DGEERN CCN(Cc1ccccc1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000132066141 432044384 /nfs/dbraw/zinc/04/43/84/432044384.db2.gz WVIDRGHWISJDII-GOSISDBHSA-N 0 0 308.381 3.294 10 30 DGEERN CCOc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1O ZINC000004921289 181173178 /nfs/dbraw/zinc/17/31/78/181173178.db2.gz RUYYBTJEGILLMD-MHWRWJLKSA-N 0 0 301.302 3.145 10 30 DGEERN CC(=NNc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000005070900 181201088 /nfs/dbraw/zinc/20/10/88/181201088.db2.gz DFPRJFHWJZDJFP-RGVLZGJSSA-N 0 0 308.341 3.170 10 30 DGEERN CCc1cccc2c(CC(=O)NCc3cccc(C#N)c3)c[nH]c21 ZINC000068088148 432049740 /nfs/dbraw/zinc/04/97/40/432049740.db2.gz YLNFFXNRGZKSIR-UHFFFAOYSA-N 0 0 317.392 3.461 10 30 DGEERN Cc1c(C(=O)n2c(CC#N)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000005581260 181260020 /nfs/dbraw/zinc/26/00/20/181260020.db2.gz LCFUMIWFYFPHQF-UHFFFAOYSA-N 0 0 320.308 3.008 10 30 DGEERN N#Cc1ccc(Cn2cnc3c4ccccc4oc3c2=O)cc1F ZINC000191716528 283150524 /nfs/dbraw/zinc/15/05/24/283150524.db2.gz MKVDULAAHNLDBB-UHFFFAOYSA-N 0 0 319.295 3.202 10 30 DGEERN COc1ccccc1CN=Nc1nc2ccccc2c(=O)s1 ZINC000005671183 181270216 /nfs/dbraw/zinc/27/02/16/181270216.db2.gz MEEVWMKCNNUVRP-LICLKQGHSA-N 0 0 311.366 3.111 10 30 DGEERN N#Cc1ccc(N2CC[C@H](N3CCC[C@H]3c3ccco3)C2=O)cc1 ZINC000247574679 283167326 /nfs/dbraw/zinc/16/73/26/283167326.db2.gz XGITVPMJQNKGGG-IRXDYDNUSA-N 0 0 321.380 3.094 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC[C@@H](C(=O)OCC)c1ccccc1 ZINC000276933982 213185642 /nfs/dbraw/zinc/18/56/42/213185642.db2.gz OTECSNOXTMSCGS-CRAIPNDOSA-N 0 0 303.402 3.052 10 30 DGEERN N#Cc1ccnc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000285990091 283220212 /nfs/dbraw/zinc/22/02/12/283220212.db2.gz CRBKAHKJBHCGFT-LMMKCTJWSA-N 0 0 317.392 3.362 10 30 DGEERN CC(C)(C)OC(=O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000166778185 432062887 /nfs/dbraw/zinc/06/28/87/432062887.db2.gz DVUAQQRCLZWFLI-UHFFFAOYSA-N 0 0 318.320 3.406 10 30 DGEERN N#Cc1nccnc1N[C@@H]1CCc2cc(Br)ccc21 ZINC000301162717 283255141 /nfs/dbraw/zinc/25/51/41/283255141.db2.gz HTHQCPJJIKNHSO-GFCCVEGCSA-N 0 0 315.174 3.210 10 30 DGEERN N#Cc1c[nH]c(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000178577839 198891598 /nfs/dbraw/zinc/89/15/98/198891598.db2.gz LZNVFEYIFKDTJH-INIZCTEOSA-N 0 0 321.380 3.453 10 30 DGEERN COc1cc(CN=Nc2c(F)c(F)cc(F)c2F)ccc1O ZINC000005915936 181295843 /nfs/dbraw/zinc/29/58/43/181295843.db2.gz UJYLJEYITFHZQD-KPSZGOFPSA-N 0 0 314.238 3.403 10 30 DGEERN N#Cc1ccccc1-c1ccc(CNC(=O)COCC2CC2)cc1 ZINC000180706428 199199480 /nfs/dbraw/zinc/19/94/80/199199480.db2.gz AEWFZGNPFCPXAJ-UHFFFAOYSA-N 0 0 320.392 3.268 10 30 DGEERN CC(C)OC[C@H](O)CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000180390825 432085439 /nfs/dbraw/zinc/08/54/39/432085439.db2.gz QTDFWDVHTQMNKN-NSHDSACASA-N 0 0 319.348 3.455 10 30 DGEERN C[C@H](NCc1ccc(C#N)o1)c1nc(C2CCCCC2)no1 ZINC000237587860 202293500 /nfs/dbraw/zinc/29/35/00/202293500.db2.gz OWUAAPFKRDMXQX-NSHDSACASA-N 0 0 300.362 3.433 10 30 DGEERN C=CC[C@H](C(=O)N[C@@H](C)CCC(=O)OCC)c1ccccc1 ZINC000188877475 200314889 /nfs/dbraw/zinc/31/48/89/200314889.db2.gz AHXQUVPWUUXOGB-HOCLYGCPSA-N 0 0 303.402 3.194 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000189145644 200355664 /nfs/dbraw/zinc/35/56/64/200355664.db2.gz LCKIVNNRSUPUQK-MSOLQXFVSA-N 0 0 324.428 3.192 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000189145663 200355783 /nfs/dbraw/zinc/35/57/83/200355783.db2.gz LCKIVNNRSUPUQK-QZTJIDSGSA-N 0 0 324.428 3.192 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccnc1SCCC(=O)OC ZINC000189063578 200343480 /nfs/dbraw/zinc/34/34/80/200343480.db2.gz MKEUJKBLHIHSSH-GFCCVEGCSA-N 0 0 322.430 3.278 10 30 DGEERN CO[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000189251348 200370653 /nfs/dbraw/zinc/37/06/53/200370653.db2.gz FLJZEJULJGHARL-NHYWBVRUSA-N 0 0 323.234 3.178 10 30 DGEERN CO[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@H]1C ZINC000189251324 200370765 /nfs/dbraw/zinc/37/07/65/200370765.db2.gz FLJZEJULJGHARL-ABAIWWIYSA-N 0 0 323.234 3.178 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000189680708 200437151 /nfs/dbraw/zinc/43/71/51/200437151.db2.gz AQQLOKBHPVNIFG-LJQANCHMSA-N 0 0 312.413 3.281 10 30 DGEERN C=CCOCCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189830694 432093422 /nfs/dbraw/zinc/09/34/22/432093422.db2.gz NOTXXYHUJBXMDR-UHFFFAOYSA-N 0 0 315.413 3.064 10 30 DGEERN Cc1ccc(Br)c(C(=O)Nc2cc(C#N)ccn2)c1 ZINC000435992706 238379502 /nfs/dbraw/zinc/37/95/02/238379502.db2.gz DJCDBSFANMBQCT-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000435990848 238380427 /nfs/dbraw/zinc/38/04/27/238380427.db2.gz DHULIDOWOCSMQL-UHFFFAOYSA-N 0 0 316.320 3.393 10 30 DGEERN Cc1c(Br)scc1C(=O)Nc1cc(C#N)ccn1 ZINC000436009007 238383035 /nfs/dbraw/zinc/38/30/35/238383035.db2.gz GWJQFNZCJFVBLS-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000436014111 238383842 /nfs/dbraw/zinc/38/38/42/238383842.db2.gz IMACJXXWRIEYOL-UHFFFAOYSA-N 0 0 309.222 3.363 10 30 DGEERN Cc1cccc2c(CCC(=O)Nc3cc(C#N)ccn3)c[nH]c21 ZINC000436017686 238384328 /nfs/dbraw/zinc/38/43/28/238384328.db2.gz CFPOXJHCNNBNPF-UHFFFAOYSA-N 0 0 304.353 3.314 10 30 DGEERN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193367869 201039514 /nfs/dbraw/zinc/03/95/14/201039514.db2.gz GRLKHJKEDLLBGP-PXAZEXFGSA-N 0 0 309.344 3.316 10 30 DGEERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193379779 201041401 /nfs/dbraw/zinc/04/14/01/201041401.db2.gz IBUHSDPYGVMCGG-YVEFUNNKSA-N 0 0 309.344 3.316 10 30 DGEERN Cc1sc(C(=O)Nc2cc(C#N)ccc2C)cc1[N+](=O)[O-] ZINC000063961903 283674616 /nfs/dbraw/zinc/67/46/16/283674616.db2.gz ZMFSNHDGBAVBPT-UHFFFAOYSA-N 0 0 301.327 3.397 10 30 DGEERN N#CC1CCC(CNC(=O)CCCc2ccc(O)c(F)c2)CC1 ZINC000442976233 239158761 /nfs/dbraw/zinc/15/87/61/239158761.db2.gz WQAALKMXZQJLLB-UHFFFAOYSA-N 0 0 318.392 3.300 10 30 DGEERN SCC/N=c1/sc(-c2ccccc2)nn1-c1ccccc1 ZINC000006502407 181346617 /nfs/dbraw/zinc/34/66/17/181346617.db2.gz AUHYYKXSTAGALJ-WUKNDPDISA-N 0 0 313.451 3.431 10 30 DGEERN C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000070549230 283737886 /nfs/dbraw/zinc/73/78/86/283737886.db2.gz IFKXKJGATVUECE-ZIAGYGMSSA-N 0 0 306.431 3.053 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000189911511 432104514 /nfs/dbraw/zinc/10/45/14/432104514.db2.gz SURYMSAHGLJZCV-HUUCEWRRSA-N 0 0 301.386 3.286 10 30 DGEERN Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)[nH]n1 ZINC000091050415 192976824 /nfs/dbraw/zinc/97/68/24/192976824.db2.gz APANDKSZOGGPHJ-UHFFFAOYSA-N 0 0 316.364 3.187 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000451002874 240969974 /nfs/dbraw/zinc/96/99/74/240969974.db2.gz KFMVAVRFTOESJN-HOTGVXAUSA-N 0 0 307.397 3.038 10 30 DGEERN C=CCC1(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCCCC1 ZINC000451369196 241098815 /nfs/dbraw/zinc/09/88/15/241098815.db2.gz ASUGGJCDVCKUTI-LJQANCHMSA-N 0 0 321.461 3.310 10 30 DGEERN CCC1(NS(=O)(=O)Cc2ccc(F)cc2C#N)CCCCC1 ZINC000451889267 241267105 /nfs/dbraw/zinc/26/71/05/241267105.db2.gz KJEGEEQKQOEHOL-UHFFFAOYSA-N 0 0 324.421 3.230 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cncc(Cl)c1 ZINC000451696642 241208835 /nfs/dbraw/zinc/20/88/35/241208835.db2.gz TYVBVFNBDOKWGH-UHFFFAOYSA-N 0 0 320.776 3.039 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NCCCC(C)(F)F ZINC000452204566 241351610 /nfs/dbraw/zinc/35/16/10/241351610.db2.gz XZCWTQBAXFDYKF-UHFFFAOYSA-N 0 0 313.344 3.425 10 30 DGEERN Cc1[nH]c(C#N)cc1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452316502 241384093 /nfs/dbraw/zinc/38/40/93/241384093.db2.gz BGOFTWAAOLLRAB-UHFFFAOYSA-N 0 0 317.751 3.186 10 30 DGEERN CC(C)Oc1ccc(F)cc1NC(=O)c1cc(C#N)cn1C ZINC000081083645 283909790 /nfs/dbraw/zinc/90/97/90/283909790.db2.gz WLXUZTOJVUFKIL-UHFFFAOYSA-N 0 0 301.321 3.075 10 30 DGEERN CCSc1ccc([C@@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081154654 283910588 /nfs/dbraw/zinc/91/05/88/283910588.db2.gz QQFVWYOOJHWAFU-GFCCVEGCSA-N 0 0 313.426 3.500 10 30 DGEERN C=CCC[C@H](NC(=O)NCC1=CCOCC1)c1ccccc1 ZINC000454696895 242012747 /nfs/dbraw/zinc/01/27/47/242012747.db2.gz ROTVXRJGPYEWNL-KRWDZBQOSA-N 0 0 300.402 3.340 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000454774980 242031642 /nfs/dbraw/zinc/03/16/42/242031642.db2.gz XKDAJXHHOIJSOF-HNNXBMFYSA-N 0 0 315.373 3.099 10 30 DGEERN CC#CCN(C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000455092715 242106003 /nfs/dbraw/zinc/10/60/03/242106003.db2.gz DCEWYGHJEQQVFY-UHFFFAOYSA-N 0 0 304.390 3.314 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000181087294 432112427 /nfs/dbraw/zinc/11/24/27/432112427.db2.gz NHGJJTMIPJPGLZ-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCc1snnc1C ZINC000455381883 242185908 /nfs/dbraw/zinc/18/59/08/242185908.db2.gz KKFGAQCAPRBUAQ-UHFFFAOYSA-N 0 0 302.403 3.287 10 30 DGEERN C=CCCc1ccccc1NC(=O)N(CC(F)F)C[C@H](C)O ZINC000455387027 242188219 /nfs/dbraw/zinc/18/82/19/242188219.db2.gz RRHJIUCRDILUEU-LBPRGKRZSA-N 0 0 312.360 3.285 10 30 DGEERN C=CCC1(CNC(=O)N2CC[C@]3(C2)CCCOC3)CCCC1 ZINC000455481618 242211864 /nfs/dbraw/zinc/21/18/64/242211864.db2.gz RYVWJYISQXOADS-SFHVURJKSA-N 0 0 306.450 3.335 10 30 DGEERN C=C(C)CCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000456114508 242351736 /nfs/dbraw/zinc/35/17/36/242351736.db2.gz AXGYCKLUAFSRRS-UHFFFAOYSA-N 0 0 317.414 3.366 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000456006377 242327412 /nfs/dbraw/zinc/32/74/12/242327412.db2.gz QLEDXDIDMJLCKQ-UHFFFAOYSA-N 0 0 320.396 3.221 10 30 DGEERN CC#CCN(C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000458471701 243069382 /nfs/dbraw/zinc/06/93/82/243069382.db2.gz STYVOACYOCIRCH-NSHDSACASA-N 0 0 313.184 3.092 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CC(C(C)(C)C)C2)cc1 ZINC000458750799 243147626 /nfs/dbraw/zinc/14/76/26/243147626.db2.gz ASJSJIMFMDKIAS-UHFFFAOYSA-N 0 0 302.418 3.439 10 30 DGEERN C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000460554782 243551747 /nfs/dbraw/zinc/55/17/47/243551747.db2.gz RTVRUXVJGPADQY-HUUCEWRRSA-N 0 0 314.458 3.495 10 30 DGEERN C=CCOc1ccc(OCc2cn(-c3ccccc3)nn2)cc1 ZINC000462673212 243680865 /nfs/dbraw/zinc/68/08/65/243680865.db2.gz FFZFHOWDZXBUDS-UHFFFAOYSA-N 0 0 307.353 3.411 10 30 DGEERN CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000112674584 284094057 /nfs/dbraw/zinc/09/40/57/284094057.db2.gz SJIGFMAUUAGJPU-HZPDHXFCSA-N 0 0 306.431 3.051 10 30 DGEERN C=CCCCNC(=O)[C@H](C)Oc1ccccc1Br ZINC000468388582 244039327 /nfs/dbraw/zinc/03/93/27/244039327.db2.gz AVXSDKLJQVZZCE-NSHDSACASA-N 0 0 312.207 3.299 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000275110283 212125716 /nfs/dbraw/zinc/12/57/16/212125716.db2.gz XZUXEWPEEZSLTE-MEBBXXQBSA-N 0 0 320.343 3.366 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000472168906 244285041 /nfs/dbraw/zinc/28/50/41/244285041.db2.gz DVDNQVCJVJGHQC-SJORKVTESA-N 0 0 302.418 3.342 10 30 DGEERN C[C@H]1CN(Cc2ccc(C#N)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606364 193272914 /nfs/dbraw/zinc/27/29/14/193272914.db2.gz VKVOSADLXJOFOW-YVEFUNNKSA-N 0 0 300.333 3.252 10 30 DGEERN CC#CCCNC(=O)N(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000483417949 244860833 /nfs/dbraw/zinc/86/08/33/244860833.db2.gz NMMBXWKKERHWST-KRWDZBQOSA-N 0 0 300.402 3.127 10 30 DGEERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181315048 432122095 /nfs/dbraw/zinc/12/20/95/432122095.db2.gz JPCQORVFLNSAIB-IMRCBTMISA-N 0 0 315.417 3.086 10 30 DGEERN CCN(C(=O)c1ccc(C#N)cc1C)c1ccccc1C(=O)OC ZINC000123613424 284242088 /nfs/dbraw/zinc/24/20/88/284242088.db2.gz ICLTYYLPVZDQHT-UHFFFAOYSA-N 0 0 322.364 3.320 10 30 DGEERN C=C(C)CNC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000488568768 245211438 /nfs/dbraw/zinc/21/14/38/245211438.db2.gz BIWBHVIWMLPGPI-QGZVFWFLSA-N 0 0 312.417 3.117 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC000489713654 245337681 /nfs/dbraw/zinc/33/76/81/245337681.db2.gz ATSCPDFVMOEJTI-CZUORRHYSA-N 0 0 306.793 3.261 10 30 DGEERN C=C(C)CN1c2cc(NC(=O)CCCC)ccc2OCC1=O ZINC000012296155 181746347 /nfs/dbraw/zinc/74/63/47/181746347.db2.gz IHYIWKZOBJJITA-UHFFFAOYSA-N 0 0 302.374 3.117 10 30 DGEERN Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000125822520 284284814 /nfs/dbraw/zinc/28/48/14/284284814.db2.gz QLHYUSKAQLDWBH-HNNXBMFYSA-N 0 0 308.381 3.372 10 30 DGEERN CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1ccc(F)cc1 ZINC000015228912 181992960 /nfs/dbraw/zinc/99/29/60/181992960.db2.gz BKNVTIBOFNJBNQ-XDJHFCHBSA-N 0 0 301.317 3.450 10 30 DGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCS[C@@H](C)C1 ZINC000171379780 432128024 /nfs/dbraw/zinc/12/80/24/432128024.db2.gz LYHLFCAKGVGPKX-LBPRGKRZSA-N 0 0 319.430 3.315 10 30 DGEERN C=C(C)[C@@H](NC(=O)CCc1ccnn1C)c1ccc(F)c(F)c1 ZINC000274661561 211806223 /nfs/dbraw/zinc/80/62/23/211806223.db2.gz VRFWWVGSDUFYFJ-QGZVFWFLSA-N 0 0 319.355 3.065 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000246436986 432131349 /nfs/dbraw/zinc/13/13/49/432131349.db2.gz JYOHPQHIRXGKAL-SIVJFFJCSA-N 0 0 321.446 3.361 10 30 DGEERN N/C(=N\O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000019866033 182157881 /nfs/dbraw/zinc/15/78/81/182157881.db2.gz JJTPQFGWELOSNZ-UHFFFAOYSA-N 0 0 307.147 3.336 10 30 DGEERN N/C(=N\O)c1ccc(Oc2ccccc2Br)cc1 ZINC000019866115 182158602 /nfs/dbraw/zinc/15/86/02/182158602.db2.gz YTYDWCUSOAMTOY-UHFFFAOYSA-N 0 0 307.147 3.336 10 30 DGEERN COc1cccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 ZINC000020058406 182184764 /nfs/dbraw/zinc/18/47/64/182184764.db2.gz MXWFEHZGRQHJPW-UHFFFAOYSA-N 0 0 302.337 3.273 10 30 DGEERN Cc1ccc(Oc2ccc(/C(N)=N/O)cn2)c(Br)c1 ZINC000020077890 182185247 /nfs/dbraw/zinc/18/52/47/182185247.db2.gz KVMQXSBNTBXONI-UHFFFAOYSA-N 0 0 322.162 3.039 10 30 DGEERN CCOC(=O)[C@@H](C#N)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000021987893 182302079 /nfs/dbraw/zinc/30/20/79/182302079.db2.gz DROCPHQZVGVFJZ-ZETCQYMHSA-N 0 0 303.101 3.072 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](O)[C@H](C)c1ccc(C)cc1 ZINC000494509953 246157490 /nfs/dbraw/zinc/15/74/90/246157490.db2.gz VPCXTARDCGRPAJ-TZMCWYRMSA-N 0 0 315.335 3.036 10 30 DGEERN CCC[C@@H](C)NC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135348867 284472572 /nfs/dbraw/zinc/47/25/72/284472572.db2.gz ZTLJZGLSUDGFLN-CHWSQXEVSA-N 0 0 320.458 3.493 10 30 DGEERN N#CC1(c2ccc(C(=O)NCc3ccc(Cl)cn3)cc2)CC1 ZINC000181586139 432137689 /nfs/dbraw/zinc/13/76/89/432137689.db2.gz UYNCXKRWMNQSLQ-UHFFFAOYSA-N 0 0 311.772 3.220 10 30 DGEERN CCOc1ccc(S(=O)(=O)/N=C(/Cl)c2ccccc2)cc1 ZINC000100243031 193797016 /nfs/dbraw/zinc/79/70/16/193797016.db2.gz SXNWIYKPSXCVMK-BMRADRMJSA-N 0 0 323.801 3.460 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1Cl ZINC000246501636 432137685 /nfs/dbraw/zinc/13/76/85/432137685.db2.gz XSZHPGJRQPZLOT-XHDPSFHLSA-N 0 0 324.833 3.165 10 30 DGEERN N#Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1 ZINC000036737860 182839076 /nfs/dbraw/zinc/83/90/76/182839076.db2.gz DUBJYJKBZWTZHM-UHFFFAOYSA-N 0 0 316.158 3.155 10 30 DGEERN C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](C#N)CC1 ZINC000101680566 193834868 /nfs/dbraw/zinc/83/48/68/193834868.db2.gz ANDWOIMHOOWCLK-IJLUTSLNSA-N 0 0 309.373 3.221 10 30 DGEERN CO[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@@H]1C ZINC000190363346 432148395 /nfs/dbraw/zinc/14/83/95/432148395.db2.gz YSDHHIKVHFZBKF-BONVTDFDSA-N 0 0 317.339 3.246 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H](C#N)Nc1cccc(Br)c1 ZINC000037937629 182940672 /nfs/dbraw/zinc/94/06/72/182940672.db2.gz HLIBYKQCIILLGF-CYBMUJFWSA-N 0 0 319.206 3.476 10 30 DGEERN CC(C)n1cc(Br)cc1C(=O)N(CCC#N)C1CC1 ZINC000038099985 182989710 /nfs/dbraw/zinc/98/97/10/182989710.db2.gz UWWQSHIKLJWLMG-UHFFFAOYSA-N 0 0 324.222 3.350 10 30 DGEERN C=CCNc1ncnc(Nc2cccc(Br)c2)c1N ZINC000040709097 183120851 /nfs/dbraw/zinc/12/08/51/183120851.db2.gz UYQQCHONUCMUEJ-UHFFFAOYSA-N 0 0 320.194 3.163 10 30 DGEERN C=CCNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1N ZINC000040708850 183121059 /nfs/dbraw/zinc/12/10/59/183121059.db2.gz VGRSMJZCLDYSGM-UHFFFAOYSA-N 0 0 323.444 3.116 10 30 DGEERN C=CCNc1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000040598580 183108219 /nfs/dbraw/zinc/10/82/19/183108219.db2.gz IMICSFYFDNPQEY-UHFFFAOYSA-N 0 0 307.398 3.101 10 30 DGEERN CCN(Cc1c(Cl)cccc1Cl)C[C@H](C)/C(N)=N/O ZINC000042445151 183271031 /nfs/dbraw/zinc/27/10/31/183271031.db2.gz WIPMFNKQUGKURT-VIFPVBQESA-N 0 0 304.221 3.198 10 30 DGEERN Cc1cc(CSCC(=O)Nc2cc(Cl)ccc2C#N)no1 ZINC000105626342 194116519 /nfs/dbraw/zinc/11/65/19/194116519.db2.gz NYPMCGFLEOFBTL-UHFFFAOYSA-N 0 0 321.789 3.380 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000273542566 210854373 /nfs/dbraw/zinc/85/43/73/210854373.db2.gz UBXQRQDSOVGAKJ-PREGVCBESA-N 0 0 320.408 3.088 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N/N=C2\C[C@@H]3C=CC[C@H]23)cc1 ZINC000058978865 184133089 /nfs/dbraw/zinc/13/30/89/184133089.db2.gz RUJXQYGKFDZVAC-OCYMBQGRSA-N 0 0 318.442 3.214 10 30 DGEERN C=CCCCN(C)C(=O)C1(OCc2ccccc2)CCOCC1 ZINC000269382493 207500739 /nfs/dbraw/zinc/50/07/39/207500739.db2.gz FDAGTOJYKMHXPC-UHFFFAOYSA-N 0 0 317.429 3.177 10 30 DGEERN COC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCCCC1 ZINC000187038434 532973322 /nfs/dbraw/zinc/97/33/22/532973322.db2.gz NMIHYYQSEQCINH-AWEZNQCLSA-N 0 0 306.793 3.370 10 30 DGEERN N#Cc1ccsc1C(=O)NCc1ccccc1OC1CCC1 ZINC000118265134 194880664 /nfs/dbraw/zinc/88/06/64/194880664.db2.gz QRSXLVYXBFURNC-UHFFFAOYSA-N 0 0 312.394 3.481 10 30 DGEERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000176641987 252706951 /nfs/dbraw/zinc/70/69/51/252706951.db2.gz BEGVROKCTDWZRH-AWEZNQCLSA-N 0 0 307.397 3.338 10 30 DGEERN N#Cc1cc(Br)ccc1CN1CCC[C@@H]1CCCO ZINC000336811440 253003003 /nfs/dbraw/zinc/00/30/03/253003003.db2.gz MZKUXPGXLZZXQD-OAHLLOKOSA-N 0 0 323.234 3.058 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c(OC)c1OC)OCC ZINC000270086590 208144646 /nfs/dbraw/zinc/14/46/46/208144646.db2.gz WISRHTKIFADLCN-CQSZACIVSA-N 0 0 323.389 3.022 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cccc(-c2noc(C)n2)c1)OCC ZINC000270138918 208199611 /nfs/dbraw/zinc/19/96/11/208199611.db2.gz ZNNYKHJLJRJZIS-HNNXBMFYSA-N 0 0 315.373 3.355 10 30 DGEERN C#CC[C@H](NC(=O)NCCCc1ccccn1)c1ccccc1 ZINC000270180323 208244484 /nfs/dbraw/zinc/24/44/84/208244484.db2.gz BLRFMFGZYMULAO-SFHVURJKSA-N 0 0 307.397 3.078 10 30 DGEERN CO[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@@H]1C ZINC000249982079 285092324 /nfs/dbraw/zinc/09/23/24/285092324.db2.gz YSDHHIKVHFZBKF-ZUZCIYMTSA-N 0 0 317.339 3.246 10 30 DGEERN CCCC(=O)N[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000158040598 197237650 /nfs/dbraw/zinc/23/76/50/197237650.db2.gz NAXLENSKTRUJJU-KRWDZBQOSA-N 0 0 318.848 3.072 10 30 DGEERN Cc1nsc(NCc2ccn(Cc3ccccc3)n2)c1C#N ZINC000343136181 254104455 /nfs/dbraw/zinc/10/44/55/254104455.db2.gz AQAOVJVGUWLGTR-UHFFFAOYSA-N 0 0 309.398 3.180 10 30 DGEERN COC(=O)[C@H](NC/C=C\c1ccccc1)c1cccc(C#N)c1 ZINC000255630422 285169965 /nfs/dbraw/zinc/16/99/65/285169965.db2.gz DTIRHJZRPKIQJE-OEPRFQHASA-N 0 0 306.365 3.075 10 30 DGEERN C[C@@H](C#N)CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000299229108 533137430 /nfs/dbraw/zinc/13/74/30/533137430.db2.gz CYSFPKHRVZGVPZ-VHSXEESVSA-N 0 0 315.200 3.379 10 30 DGEERN C#CCOc1ccc(C(=O)N(CC)[C@@H](C)c2cccnc2)cc1 ZINC000156097718 197086907 /nfs/dbraw/zinc/08/69/07/197086907.db2.gz VXDBCANJSGOJGO-HNNXBMFYSA-N 0 0 308.381 3.317 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000153106126 196851603 /nfs/dbraw/zinc/85/16/03/196851603.db2.gz HQKAPXLRNSLQSR-UHFFFAOYSA-N 0 0 323.400 3.007 10 30 DGEERN Cc1nc2ccccc2c(C)c1CC(=O)NC1(C#N)CCCC1 ZINC000121972932 195384858 /nfs/dbraw/zinc/38/48/58/195384858.db2.gz HKPZXZYJOZXINL-UHFFFAOYSA-N 0 0 307.397 3.347 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000124093151 195602765 /nfs/dbraw/zinc/60/27/65/195602765.db2.gz KNVRISODVDFRNP-RDJZCZTQSA-N 0 0 314.429 3.438 10 30 DGEERN COCCN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[C@@H](C)C1 ZINC000442738585 533308166 /nfs/dbraw/zinc/30/81/66/533308166.db2.gz OTTNUZIRBVVXOM-VXLLPVPCSA-N 0 0 321.465 3.163 10 30 DGEERN C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](C)CC2)c1cncnc1 ZINC000330111004 533360289 /nfs/dbraw/zinc/36/02/89/533360289.db2.gz ARRPVJJQJSWDRZ-VHSXEESVSA-N 0 0 302.403 3.450 10 30 DGEERN C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](C)CC2)c1cncnc1 ZINC000330111002 533361012 /nfs/dbraw/zinc/36/10/12/533361012.db2.gz ARRPVJJQJSWDRZ-NXEZZACHSA-N 0 0 302.403 3.450 10 30 DGEERN COc1ccc2cc(CN3CCN(C4CC4)[C@@H](C#N)C3)ccc2c1 ZINC000371326178 533327064 /nfs/dbraw/zinc/32/70/64/533327064.db2.gz HYSXUGDYKYGOSK-IBGZPJMESA-N 0 0 321.424 3.021 10 30 DGEERN C[C@@H](CC#N)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184250862 533394110 /nfs/dbraw/zinc/39/41/10/533394110.db2.gz LWWMWVZAKPNOKS-WCQYABFASA-N 0 0 313.323 3.104 10 30 DGEERN C[C@@H](CC(=O)N(C)CCC#N)c1ccc(Br)cc1 ZINC000162079576 533406521 /nfs/dbraw/zinc/40/65/21/533406521.db2.gz ONNFKRGEHGQWGV-NSHDSACASA-N 0 0 309.207 3.315 10 30 DGEERN COc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000195024564 533431137 /nfs/dbraw/zinc/43/11/37/533431137.db2.gz JDRIYPFUPMNJCY-CYBMUJFWSA-N 0 0 310.353 3.281 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000472168903 533509061 /nfs/dbraw/zinc/50/90/61/533509061.db2.gz DVDNQVCJVJGHQC-DLBZAZTESA-N 0 0 302.418 3.342 10 30 DGEERN C[C@H](CC#N)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000170683122 533606784 /nfs/dbraw/zinc/60/67/84/533606784.db2.gz LKGZXPODBLTGAI-SNVBAGLBSA-N 0 0 309.207 3.145 10 30 DGEERN Cc1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)nc1C#N ZINC000302692066 292131793 /nfs/dbraw/zinc/13/17/93/292131793.db2.gz ZRDIKPSYUKSISH-MRXNPFEDSA-N 0 0 321.380 3.374 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1nc2ccccc2[nH]1 ZINC000066522938 400095800 /nfs/dbraw/zinc/09/58/00/400095800.db2.gz RGYVLPGSMRVLTC-QWHCGFSZSA-N 0 0 301.390 3.111 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C)c2ccccc12 ZINC000616260554 400111621 /nfs/dbraw/zinc/11/16/21/400111621.db2.gz KAUNZILZEONHLH-IBGZPJMESA-N 0 0 324.424 3.235 10 30 DGEERN N#CC1CCN(c2nnc(CC3CC3)n2Cc2ccccc2)CC1 ZINC000581560784 400080132 /nfs/dbraw/zinc/08/01/32/400080132.db2.gz SDUYEJDFRIRXMA-UHFFFAOYSA-N 0 0 321.428 3.019 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)CC1Cc2ccccc2C1 ZINC000581971008 400084381 /nfs/dbraw/zinc/08/43/81/400084381.db2.gz DKOQNYPWHFZWQX-AWEZNQCLSA-N 0 0 307.459 3.066 10 30 DGEERN Cc1cc(C#N)cc(N[C@@H]2CCCN(c3ccccc3F)C2)n1 ZINC000588008764 400179233 /nfs/dbraw/zinc/17/92/33/400179233.db2.gz YREIJXVAXZFESB-OAHLLOKOSA-N 0 0 310.376 3.482 10 30 DGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC2(CCC2)CC1 ZINC000588022436 400180672 /nfs/dbraw/zinc/18/06/72/400180672.db2.gz GPZVOLLBWOPJBQ-KRWDZBQOSA-N 0 0 320.433 3.041 10 30 DGEERN N#CCn1c(C(=O)Nc2ccc3nccn3c2)cc2ccccc21 ZINC000609622988 400181506 /nfs/dbraw/zinc/18/15/06/400181506.db2.gz BCXZSJXYMUAXPS-UHFFFAOYSA-N 0 0 315.336 3.065 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC([O-])=[NH+]c1cccnc1 ZINC000328626328 400182785 /nfs/dbraw/zinc/18/27/85/400182785.db2.gz LOHWMQQGZHXNQQ-NSHDSACASA-N 0 0 302.403 3.293 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCCS1 ZINC000328635950 400184091 /nfs/dbraw/zinc/18/40/91/400184091.db2.gz VEXCCSNOHPCRNE-XPKDYRNWSA-N 0 0 323.462 3.223 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C1(C(F)(F)F)CC1 ZINC000608786336 400120771 /nfs/dbraw/zinc/12/07/71/400120771.db2.gz XWUITZFQKHHUDS-UHFFFAOYSA-N 0 0 308.303 3.415 10 30 DGEERN CC1(C)COC[C@@H]1Nc1cc(Br)c(C#N)cc1F ZINC000313074273 400136416 /nfs/dbraw/zinc/13/64/16/400136416.db2.gz ZYINPWNPQCPAPM-LBPRGKRZSA-N 0 0 313.170 3.297 10 30 DGEERN C[C@@H]1C[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609070599 400137745 /nfs/dbraw/zinc/13/77/45/400137745.db2.gz JOMLGWASLLDWQX-OCCSQVGLSA-N 0 0 310.353 3.116 10 30 DGEERN C[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609097114 400138987 /nfs/dbraw/zinc/13/89/87/400138987.db2.gz BTMLNGBQWVBUCT-CRAIPNDOSA-N 0 0 311.429 3.176 10 30 DGEERN C=CCn1cc(CNC(=O)c2cccc(C3CCCC3)c2)nn1 ZINC000616410403 400142226 /nfs/dbraw/zinc/14/22/26/400142226.db2.gz FPLGZKHOFYGPJW-UHFFFAOYSA-N 0 0 310.401 3.052 10 30 DGEERN N#Cc1ccc(CNC(=O)NC2CC(c3ccccc3)C2)c(F)c1 ZINC000609240377 400154049 /nfs/dbraw/zinc/15/40/49/400154049.db2.gz DUAPCWLHSADOCI-UHFFFAOYSA-N 0 0 323.371 3.443 10 30 DGEERN COCc1ccccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000609253340 400154075 /nfs/dbraw/zinc/15/40/75/400154075.db2.gz DJMAFLXOAZHFCL-UHFFFAOYSA-N 0 0 313.332 3.165 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2ccc(F)c(F)c2)c(F)c1 ZINC000609251355 400154553 /nfs/dbraw/zinc/15/45/53/400154553.db2.gz ACDGNBHJXKRRFI-UHFFFAOYSA-N 0 0 305.259 3.297 10 30 DGEERN Cc1cccc(CN(C)C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609254243 400155476 /nfs/dbraw/zinc/15/54/76/400155476.db2.gz GVGWHQHGYXCWQB-UHFFFAOYSA-N 0 0 311.360 3.347 10 30 DGEERN Cc1cc(C)c(C#N)c(NCc2cnn(-c3ccccc3)c2)n1 ZINC000014315069 400155690 /nfs/dbraw/zinc/15/56/90/400155690.db2.gz QQAWVUQOMDXDAU-UHFFFAOYSA-N 0 0 303.369 3.368 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCC1(F)F ZINC000588756688 400227821 /nfs/dbraw/zinc/22/78/21/400227821.db2.gz IPMGXLGLVBPBFI-OAHLLOKOSA-N 0 0 319.355 3.444 10 30 DGEERN N#C[C@@H]1CCCC[C@@H]1NCc1ncc(Br)s1 ZINC000595693817 400230163 /nfs/dbraw/zinc/23/01/63/400230163.db2.gz JOJBFYLNETXLIE-IUCAKERBSA-N 0 0 300.225 3.078 10 30 DGEERN C=C(C)C[C@H](C)c1nc(Cc2cccc(S(C)(=O)=O)c2)no1 ZINC000351278536 400244056 /nfs/dbraw/zinc/24/40/56/400244056.db2.gz CTPVMKUJMTXKED-LBPRGKRZSA-N 0 0 320.414 3.134 10 30 DGEERN C=CCCn1cc(CNc2ccccc2CCSC)nn1 ZINC000601139405 400247293 /nfs/dbraw/zinc/24/72/93/400247293.db2.gz FJEQJERGKVKZJH-UHFFFAOYSA-N 0 0 302.447 3.372 10 30 DGEERN CC(C)(C)OC(=O)N1CCCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616652289 400192628 /nfs/dbraw/zinc/19/26/28/400192628.db2.gz JXXYPPSPSUQTJP-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN CCOC(=O)[C@]1(NCc2ccc(C#N)cc2)CCc2ccccc21 ZINC000609846672 400195062 /nfs/dbraw/zinc/19/50/62/400195062.db2.gz VFEMLKOPTHZVLF-FQEVSTJZSA-N 0 0 320.392 3.053 10 30 DGEERN C=C1CC(C)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601211471 400264270 /nfs/dbraw/zinc/26/42/70/400264270.db2.gz BWXWKHYEIHOHRE-UHFFFAOYSA-N 0 0 302.374 3.390 10 30 DGEERN C=CCCCN(C)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000094062841 400266674 /nfs/dbraw/zinc/26/66/74/400266674.db2.gz LISWTADXUDUFJT-UHFFFAOYSA-N 0 0 324.465 3.495 10 30 DGEERN CCN1CCc2ccc(NC(=O)Cc3cccc(C#N)c3)cc21 ZINC000610521084 400270067 /nfs/dbraw/zinc/27/00/67/400270067.db2.gz XPMPMKDJZVZTCW-UHFFFAOYSA-N 0 0 305.381 3.122 10 30 DGEERN C[C@@H]1c2ccc(F)cc2CCN1C(=O)Cc1cccc(C#N)c1 ZINC000610522310 400271672 /nfs/dbraw/zinc/27/16/72/400271672.db2.gz QKMMJKCWJHGBJP-CYBMUJFWSA-N 0 0 308.356 3.386 10 30 DGEERN C[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 ZINC000610528789 400273195 /nfs/dbraw/zinc/27/31/95/400273195.db2.gz UKFWHZOHTSNBBQ-KGLIPLIRSA-N 0 0 308.385 3.117 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000617035097 400286874 /nfs/dbraw/zinc/28/68/74/400286874.db2.gz HMVBKECEMSZAMK-UXLLHSPISA-N 0 0 314.429 3.056 10 30 DGEERN Cc1ccccc1CC1CN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000610660123 400286806 /nfs/dbraw/zinc/28/68/06/400286806.db2.gz DYSBLBOUOUYSPO-UHFFFAOYSA-N 0 0 304.393 3.110 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000617034496 400287015 /nfs/dbraw/zinc/28/70/15/400287015.db2.gz AAJXAEBSVFGHAN-IUODEOHRSA-N 0 0 311.385 3.200 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617037919 400287575 /nfs/dbraw/zinc/28/75/75/400287575.db2.gz SNSQIVISTODVBA-GXTWGEPZSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000617037953 400287650 /nfs/dbraw/zinc/28/76/50/400287650.db2.gz SWQCEZGMOIERDX-VQHPVUNQSA-N 0 0 309.450 3.212 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000617036666 400287966 /nfs/dbraw/zinc/28/79/66/400287966.db2.gz CPZIMGXTXXVWEK-ZFWWWQNUSA-N 0 0 317.433 3.072 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000617037718 400288141 /nfs/dbraw/zinc/28/81/41/400288141.db2.gz PXIACMAQUONDPE-YPMHNXCESA-N 0 0 300.358 3.398 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCCCCC1=O ZINC000617036429 400288158 /nfs/dbraw/zinc/28/81/58/400288158.db2.gz ATDOBPKCRBWCGU-CVEARBPZSA-N 0 0 306.450 3.030 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCNC(=O)C(C)(C)C ZINC000617038021 400288929 /nfs/dbraw/zinc/28/89/29/400288929.db2.gz UHBZNOGWGVQKDM-HUUCEWRRSA-N 0 0 308.466 3.180 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617038572 400288937 /nfs/dbraw/zinc/28/89/37/400288937.db2.gz ZARJTLIEZBVIGS-LSDHHAIUSA-N 0 0 301.386 3.209 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cccnc2)c1 ZINC000617039648 400289367 /nfs/dbraw/zinc/28/93/67/400289367.db2.gz JSDPMWMJLNHMPJ-WMLDXEAASA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000617041487 400289863 /nfs/dbraw/zinc/28/98/63/400289863.db2.gz FDXWEIOFGINFGJ-YNEHKIRRSA-N 0 0 306.372 3.120 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1O ZINC000617040501 400289973 /nfs/dbraw/zinc/28/99/73/400289973.db2.gz VEFXNMBXQQHROS-XJKSGUPXSA-N 0 0 316.401 3.215 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000617040106 400289989 /nfs/dbraw/zinc/28/99/89/400289989.db2.gz PNYQXGZPEFUIFB-DOTOQJQBSA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2c1CCCC2 ZINC000617042873 400291072 /nfs/dbraw/zinc/29/10/72/400291072.db2.gz WMKINIMSPQAGJH-HUUCEWRRSA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)OC ZINC000617043476 400291087 /nfs/dbraw/zinc/29/10/87/400291087.db2.gz AHLFZUGRFIRBHA-KZNAEPCWSA-N 0 0 301.430 3.495 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1ccc2ccccc2c1=O ZINC000617042688 400291488 /nfs/dbraw/zinc/29/14/88/400291488.db2.gz UXZAUBUWKFLZOK-FUHWJXTLSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)c1ccccc1OC ZINC000617042819 400291494 /nfs/dbraw/zinc/29/14/94/400291494.db2.gz WCFDGAQBCVQKKJ-DZGCQCFKSA-N 0 0 301.386 3.129 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000617042472 400291537 /nfs/dbraw/zinc/29/15/37/400291537.db2.gz RXAYOMAWKNVUSA-DGCLKSJQSA-N 0 0 315.339 3.310 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000617044611 400291912 /nfs/dbraw/zinc/29/19/12/400291912.db2.gz PXLCQECDQCNUED-SQNIBIBYSA-N 0 0 301.430 3.231 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nn(CC)c1C ZINC000617045322 400292075 /nfs/dbraw/zinc/29/20/75/400292075.db2.gz ZCRQUZWVTUYYAC-DOTOQJQBSA-N 0 0 303.450 3.313 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(CN2CCCC2)on1 ZINC000617044657 400292381 /nfs/dbraw/zinc/29/23/81/400292381.db2.gz QIZYEUCFNAIDBT-GOEBONIOSA-N 0 0 317.433 3.135 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)C#Cc1ccccc1 ZINC000405528300 400299464 /nfs/dbraw/zinc/29/94/64/400299464.db2.gz ZWUCDJVOWAYNIL-INIZCTEOSA-N 0 0 313.397 3.397 10 30 DGEERN C[C@@H](OCc1ccccc1)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405193166 400299682 /nfs/dbraw/zinc/29/96/82/400299682.db2.gz ZXUMCRYMBRSFIK-CQSZACIVSA-N 0 0 306.365 3.006 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1nnc(CCC(C)C)s1)OCC ZINC000617095471 400308144 /nfs/dbraw/zinc/30/81/44/400308144.db2.gz QEBOTHLLHOCVFQ-LBPRGKRZSA-N 0 0 311.451 3.437 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H]2CCCC23CCCCC3)nn1 ZINC000617108754 400313377 /nfs/dbraw/zinc/31/33/77/400313377.db2.gz UHCDWMYESUPEQQ-OAHLLOKOSA-N 0 0 302.422 3.087 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000578103692 400325623 /nfs/dbraw/zinc/32/56/23/400325623.db2.gz OKQKJKSATXCEFS-SCTDSRPQSA-N 0 0 317.429 3.128 10 30 DGEERN C=CC(C)(C)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601611780 400317150 /nfs/dbraw/zinc/31/71/50/400317150.db2.gz LTDGFFXTCIZYQW-UHFFFAOYSA-N 0 0 302.374 3.345 10 30 DGEERN C[C@H](NC(=O)N[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 ZINC000610884597 400320514 /nfs/dbraw/zinc/32/05/14/400320514.db2.gz BZPDLTLFJLMHCG-FZMZJTMJSA-N 0 0 307.344 3.496 10 30 DGEERN C=CC[C@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601194347 400260598 /nfs/dbraw/zinc/26/05/98/400260598.db2.gz ZCPJJPDHUKRQTB-VIFPVBQESA-N 0 0 318.299 3.140 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CCCC1 ZINC000617416186 400383897 /nfs/dbraw/zinc/38/38/97/400383897.db2.gz FCLKTJRETRBCJS-CQSZACIVSA-N 0 0 318.417 3.041 10 30 DGEERN C=CCCC1(CNC(=O)CNC(=O)c2cccs2)CCCC1 ZINC000617415367 400384564 /nfs/dbraw/zinc/38/45/64/400384564.db2.gz YYXBDLVKNACTLT-UHFFFAOYSA-N 0 0 320.458 3.121 10 30 DGEERN C=CCCC1(CNC(=O)c2cccc(C(N)=O)c2)CCCC1 ZINC000617416155 400384640 /nfs/dbraw/zinc/38/46/40/400384640.db2.gz CSTFPVRJYADADF-UHFFFAOYSA-N 0 0 300.402 3.042 10 30 DGEERN C=CCCC1(CNC(=O)CC[C@@]2(C)CCC(=O)N2)CCCC1 ZINC000617417176 400385217 /nfs/dbraw/zinc/38/52/17/400385217.db2.gz OSDVUZQWKZCKLS-KRWDZBQOSA-N 0 0 306.450 3.078 10 30 DGEERN C=CCCC1(CNC(=O)c2cc3n(n2)CCCC3)CCCC1 ZINC000617418711 400386019 /nfs/dbraw/zinc/38/60/19/400386019.db2.gz CXVSCZOWOSGTHZ-UHFFFAOYSA-N 0 0 301.434 3.476 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000610968381 400329712 /nfs/dbraw/zinc/32/97/12/400329712.db2.gz FUMOCPDSCJDMJF-SJORKVTESA-N 0 0 322.456 3.346 10 30 DGEERN C=CCN(c1nnc(-c2scnc2C)n1CC(=C)C)C1CC1 ZINC000579472520 400339259 /nfs/dbraw/zinc/33/92/59/400339259.db2.gz YQALUBODSINDCX-UHFFFAOYSA-N 0 0 315.446 3.441 10 30 DGEERN C=CCCn1cc(C(=O)Nc2ccccc2CCSC)nn1 ZINC000601722115 400341965 /nfs/dbraw/zinc/34/19/65/400341965.db2.gz PJZMHHNOISPFPE-UHFFFAOYSA-N 0 0 316.430 3.012 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000579920252 400344022 /nfs/dbraw/zinc/34/40/22/400344022.db2.gz CHSFGUVJTNWLIV-WQVCFCJDSA-N 0 0 306.381 3.228 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000601743738 400343898 /nfs/dbraw/zinc/34/38/98/400343898.db2.gz FFLCDGFRFGGEQU-GOSISDBHSA-N 0 0 322.449 3.357 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000601743714 400344288 /nfs/dbraw/zinc/34/42/88/400344288.db2.gz DQNIXSBWEAUTEQ-UHFFFAOYSA-N 0 0 306.406 3.140 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000601770719 400346414 /nfs/dbraw/zinc/34/64/14/400346414.db2.gz DBGQNHVYEUPMLP-LBPRGKRZSA-N 0 0 316.184 3.231 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000581020299 400349086 /nfs/dbraw/zinc/34/90/86/400349086.db2.gz VFZNLRAQRYENNY-CVEARBPZSA-N 0 0 315.413 3.424 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1c(Cl)oc2ccccc21)C(=O)OC ZINC000601785229 400349492 /nfs/dbraw/zinc/34/94/92/400349492.db2.gz RFCXKLVEGIOUSO-LLVKDONJSA-N 0 0 321.760 3.324 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)OC ZINC000601787983 400349543 /nfs/dbraw/zinc/34/95/43/400349543.db2.gz NSXQVACXKQPNNX-ZDUSSCGKSA-N 0 0 309.793 3.194 10 30 DGEERN C=CCC[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)c1ccccc1 ZINC000581069961 400350211 /nfs/dbraw/zinc/35/02/11/400350211.db2.gz XWKHGNKDVUFKEB-IAGOWNOFSA-N 0 0 323.458 3.038 10 30 DGEERN CCc1c(NC(=O)Cc2cccc(C#N)c2)cnn1CC(C)C ZINC000611139253 400350579 /nfs/dbraw/zinc/35/05/79/400350579.db2.gz FBHDJPSBGSVCNJ-UHFFFAOYSA-N 0 0 310.401 3.154 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](CC)COCC2CC2)cc1 ZINC000617327491 400353679 /nfs/dbraw/zinc/35/36/79/400353679.db2.gz PYYSFHMOVZKHAK-MRXNPFEDSA-N 0 0 303.402 3.186 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCc3ccsc3C2)c(F)c1 ZINC000611170745 400353950 /nfs/dbraw/zinc/35/39/50/400353950.db2.gz MLWXBIKMDNSGDH-UHFFFAOYSA-N 0 0 315.373 3.027 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000590098757 400356297 /nfs/dbraw/zinc/35/62/97/400356297.db2.gz XKSUFIDZDSZKNM-UHFFFAOYSA-N 0 0 317.389 3.265 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601859926 400366127 /nfs/dbraw/zinc/36/61/27/400366127.db2.gz CZHQFDPDMFOGJD-KBPBESRZSA-N 0 0 301.438 3.181 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601855635 400366242 /nfs/dbraw/zinc/36/62/42/400366242.db2.gz ZZLKLFYVCLXGKH-RDBSUJKOSA-N 0 0 317.462 3.161 10 30 DGEERN CC(C)CSc1nnc(Sc2nccnc2C#N)s1 ZINC000116925660 400414648 /nfs/dbraw/zinc/41/46/48/400414648.db2.gz IKXHUSICOIGQRH-UHFFFAOYSA-N 0 0 309.445 3.099 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611523775 400415111 /nfs/dbraw/zinc/41/51/11/400415111.db2.gz NAOZTSKUEHJULZ-HNNXBMFYSA-N 0 0 318.417 3.144 10 30 DGEERN C=CCN(C(=O)Cc1coc2cc(OC)ccc12)[C@@H](C)COC ZINC000617574503 400415259 /nfs/dbraw/zinc/41/52/59/400415259.db2.gz BRAWWSPJCHVACT-ZDUSSCGKSA-N 0 0 317.385 3.033 10 30 DGEERN C=CCOCC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000617515742 400400716 /nfs/dbraw/zinc/40/07/16/400400716.db2.gz KZYJNLGWDZOBJG-KRWDZBQOSA-N 0 0 307.821 3.466 10 30 DGEERN CC(=O)N1CC[C@H](NCc2cccc(F)c2C#N)c2ccccc21 ZINC000602014439 400403190 /nfs/dbraw/zinc/40/31/90/400403190.db2.gz DJRMUKQYCQUCER-SFHVURJKSA-N 0 0 323.371 3.285 10 30 DGEERN C=CCCSCCNC(=O)c1ccccc1-c1cn[nH]c1 ZINC000602180479 400421319 /nfs/dbraw/zinc/42/13/19/400421319.db2.gz YMDOOQGTCMCQBL-UHFFFAOYSA-N 0 0 301.415 3.116 10 30 DGEERN C=CCN(C(=O)c1ccc(N2CCCCC2)cc1)[C@@H](C)COC ZINC000617580452 400418018 /nfs/dbraw/zinc/41/80/18/400418018.db2.gz YDKLIJLSSAWCGR-INIZCTEOSA-N 0 0 316.445 3.340 10 30 DGEERN C=CCN(C(=O)CCCc1cc(F)ccc1F)[C@H](C)COC ZINC000617580669 400418567 /nfs/dbraw/zinc/41/85/67/400418567.db2.gz BPVFSKGRXBBRIE-CYBMUJFWSA-N 0 0 311.372 3.337 10 30 DGEERN C=CCN(C(=O)CO[C@H]1CCCc2ccccc21)[C@H](C)COC ZINC000617582467 400419498 /nfs/dbraw/zinc/41/94/98/400419498.db2.gz OANVRTUFKOGTLT-QAPCUYQASA-N 0 0 317.429 3.130 10 30 DGEERN COc1ccc(-c2cc(CN3CCC(C)(C#N)CC3)on2)cc1 ZINC000611553564 400419575 /nfs/dbraw/zinc/41/95/75/400419575.db2.gz WKDLRSYFQXQBQY-UHFFFAOYSA-N 0 0 311.385 3.476 10 30 DGEERN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611614940 400428817 /nfs/dbraw/zinc/42/88/17/400428817.db2.gz HQTMEZPQKOQVMT-DYVFJYSZSA-N 0 0 318.392 3.155 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CCOCC2)C1 ZINC000617778511 400451883 /nfs/dbraw/zinc/45/18/83/400451883.db2.gz IBAQRVMHVOKXGL-GFCCVEGCSA-N 0 0 305.340 3.160 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC000617777666 400452153 /nfs/dbraw/zinc/45/21/53/400452153.db2.gz UOFMIQCTIAWNIZ-NSHDSACASA-N 0 0 302.399 3.018 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000617786887 400455594 /nfs/dbraw/zinc/45/55/94/400455594.db2.gz CMSIOYFMLSMRCZ-MRXNPFEDSA-N 0 0 315.413 3.205 10 30 DGEERN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC[C@](C)(C#N)C1 ZINC000612167015 400503432 /nfs/dbraw/zinc/50/34/32/400503432.db2.gz ZGYSJRYFKRQBLC-GOEBONIOSA-N 0 0 324.783 3.319 10 30 DGEERN CCCCCCCC[C@@H]([C@H](C)O)n1cnc2c1ncnc2N ZINC000043379702 400465682 /nfs/dbraw/zinc/46/56/82/400465682.db2.gz MFFHYWGQFAGVAQ-STQMWFEESA-N 0 0 305.426 3.081 10 30 DGEERN CC(=O)c1ccc(-c2ccc(C(=O)N3CC(CC#N)C3)o2)cc1 ZINC000617896395 400472043 /nfs/dbraw/zinc/47/20/43/400472043.db2.gz QXWDMYVEZIHRKG-UHFFFAOYSA-N 0 0 308.337 3.135 10 30 DGEERN C[C@]1(C#N)CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000612241938 400512323 /nfs/dbraw/zinc/51/23/23/400512323.db2.gz HMOQJBPZSXOYBQ-SUYBPPKGSA-N 0 0 304.340 3.221 10 30 DGEERN C[C@]1(C#N)CCCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000612241937 400512765 /nfs/dbraw/zinc/51/27/65/400512765.db2.gz HMOQJBPZSXOYBQ-RVSPLBMKSA-N 0 0 304.340 3.221 10 30 DGEERN Cc1ccnc(N[C@@H](Cc2nccn2C)c2ccccc2)c1C#N ZINC000612085342 400489541 /nfs/dbraw/zinc/48/95/41/400489541.db2.gz ZQTWBSFNZCFEDT-KRWDZBQOSA-N 0 0 317.396 3.391 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000126578521 400493724 /nfs/dbraw/zinc/49/37/24/400493724.db2.gz WBNGHYRKPMTNLA-CZUORRHYSA-N 0 0 306.381 3.091 10 30 DGEERN N#Cc1cc(N2CCC(Cn3cccn3)CC2)nc2ccccc12 ZINC000134200784 400575601 /nfs/dbraw/zinc/57/56/01/400575601.db2.gz OVAPCJNMNKMVKN-UHFFFAOYSA-N 0 0 317.396 3.220 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1noc2c1CCCC2 ZINC000129417270 400525823 /nfs/dbraw/zinc/52/58/23/400525823.db2.gz WYNBAMVDVHVPJP-UHFFFAOYSA-N 0 0 319.368 3.040 10 30 DGEERN N#Cc1ccnc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000618137847 400532736 /nfs/dbraw/zinc/53/27/36/400532736.db2.gz RXZDOOAHKFDFHG-UHFFFAOYSA-N 0 0 313.267 3.019 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000130093143 400534168 /nfs/dbraw/zinc/53/41/68/400534168.db2.gz OXMFEZOUYYDAHH-KGLIPLIRSA-N 0 0 306.365 3.476 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)c2ccccc21 ZINC000130092925 400534448 /nfs/dbraw/zinc/53/44/48/400534448.db2.gz OXMFEZOUYYDAHH-UONOGXRCSA-N 0 0 306.365 3.476 10 30 DGEERN C=CCC[C@H](NC[C@@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683977 400537511 /nfs/dbraw/zinc/53/75/11/400537511.db2.gz ZCOILDJENOGUJX-WMZOPIPTSA-N 0 0 316.445 3.000 10 30 DGEERN C=CCC1(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000618250474 400551367 /nfs/dbraw/zinc/55/13/67/400551367.db2.gz CGLSLALZFPNZSW-RYUDHWBXSA-N 0 0 305.340 3.207 10 30 DGEERN C=CCC1(NC(=O)c2csc(C(F)(F)F)n2)CCOCC1 ZINC000618249034 400551702 /nfs/dbraw/zinc/55/17/02/400551702.db2.gz CPEKSGZRILARMF-UHFFFAOYSA-N 0 0 320.336 3.017 10 30 DGEERN C=C(C)C[C@@H](NCc1cccc(-c2ccccn2)c1)C(=O)OC ZINC000602735296 400557942 /nfs/dbraw/zinc/55/79/42/400557942.db2.gz UIDLBXAJTHKURA-GOSISDBHSA-N 0 0 310.397 3.346 10 30 DGEERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCO2 ZINC000141307447 400625084 /nfs/dbraw/zinc/62/50/84/400625084.db2.gz FGRIBWVVSQEJRT-SNVBAGLBSA-N 0 0 311.297 3.368 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000612755648 400596719 /nfs/dbraw/zinc/59/67/19/400596719.db2.gz KSVAUMAXZSABFP-OAHLLOKOSA-N 0 0 318.417 3.099 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592120640 400607910 /nfs/dbraw/zinc/60/79/10/400607910.db2.gz IQYRURDTSSDKMO-KZNAEPCWSA-N 0 0 309.413 3.444 10 30 DGEERN C=CCOCCCNC(=O)c1csc(Cc2ccccc2)n1 ZINC000618520544 400610161 /nfs/dbraw/zinc/61/01/61/400610161.db2.gz GABCTLYMAUJQAU-UHFFFAOYSA-N 0 0 316.426 3.056 10 30 DGEERN C=CCOCCCNC(=O)c1csc(-c2ccccc2C)n1 ZINC000618522659 400610867 /nfs/dbraw/zinc/61/08/67/400610867.db2.gz OZMICORMZMLNEP-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)c1cc(Cl)ccc1OC(F)F ZINC000618523826 400610954 /nfs/dbraw/zinc/61/09/54/400610954.db2.gz REWGTOTUULTIAK-UHFFFAOYSA-N 0 0 319.735 3.264 10 30 DGEERN C=CCOCCCNC(=O)C1(c2cccc(OC)c2)CCCC1 ZINC000618522683 400611121 /nfs/dbraw/zinc/61/11/21/400611121.db2.gz PWPGEHABZHTDIQ-UHFFFAOYSA-N 0 0 317.429 3.216 10 30 DGEERN C=CCOCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000618525747 400611206 /nfs/dbraw/zinc/61/12/06/400611206.db2.gz HKQDUHQBOIGYJW-UHFFFAOYSA-N 0 0 305.271 3.167 10 30 DGEERN C=CCOCCCNC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000618525267 400611766 /nfs/dbraw/zinc/61/17/66/400611766.db2.gz GASGREKKJBYZMS-UHFFFAOYSA-N 0 0 306.793 3.073 10 30 DGEERN C=CCCCN(C)C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000076484521 400657754 /nfs/dbraw/zinc/65/77/54/400657754.db2.gz INEYZJTVZBNQRN-KRWDZBQOSA-N 0 0 316.426 3.040 10 30 DGEERN Cc1nc(C(=O)Nc2nc3c(cc2C#N)CCCC3)sc1C ZINC000618685469 400664453 /nfs/dbraw/zinc/66/44/53/400664453.db2.gz OCXVZPPXQTWDCG-UHFFFAOYSA-N 0 0 312.398 3.158 10 30 DGEERN C=CC1CCN(C(=O)C2(CC(=O)OC(C)(C)C)CCC2)CC1 ZINC000592592328 400672414 /nfs/dbraw/zinc/67/24/14/400672414.db2.gz BCLSASPVLUDVRC-UHFFFAOYSA-N 0 0 307.434 3.313 10 30 DGEERN COCc1cncc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1 ZINC000613185797 400670205 /nfs/dbraw/zinc/67/02/05/400670205.db2.gz QZTDMEGFFBWBEP-UHFFFAOYSA-N 0 0 315.760 3.030 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000613288636 400689852 /nfs/dbraw/zinc/68/98/52/400689852.db2.gz SFVCGMJNILLIBH-HNNXBMFYSA-N 0 0 308.466 3.178 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C#N)c(Br)cn1 ZINC000603411932 400684359 /nfs/dbraw/zinc/68/43/59/400684359.db2.gz OFCRFVDCHGJRBV-TXEJJXNPSA-N 0 0 304.191 3.403 10 30 DGEERN C=CCCC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000618769876 400685304 /nfs/dbraw/zinc/68/53/04/400685304.db2.gz CCENGQORSZGMRS-CQSZACIVSA-N 0 0 324.218 3.315 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077790657 400747541 /nfs/dbraw/zinc/74/75/41/400747541.db2.gz VZUDNJYIRYQNNH-LBPRGKRZSA-N 0 0 308.765 3.014 10 30 DGEERN C=CCCCN(C)C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC000593067773 400751316 /nfs/dbraw/zinc/75/13/16/400751316.db2.gz MCLRJGQCKYGQQP-SFHVURJKSA-N 0 0 307.434 3.479 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000618823166 400695053 /nfs/dbraw/zinc/69/50/53/400695053.db2.gz WJHQLUYNCZZRBD-UKRRQHHQSA-N 0 0 319.355 3.423 10 30 DGEERN C[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 ZINC000618821183 400695165 /nfs/dbraw/zinc/69/51/65/400695165.db2.gz KJBKJQBTSAPMQX-ACJLOTCBSA-N 0 0 320.396 3.043 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)OC)c1ccc(OC)cc1 ZINC000613399239 400710410 /nfs/dbraw/zinc/71/04/10/400710410.db2.gz BFHYBBRFTRZPOQ-XJKSGUPXSA-N 0 0 319.401 3.018 10 30 DGEERN Cc1ccccc1CC1CN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000613429238 400716575 /nfs/dbraw/zinc/71/65/75/400716575.db2.gz JAQTYSSECNOTLX-UHFFFAOYSA-N 0 0 307.353 3.454 10 30 DGEERN C=CCN(CC=C)C(=O)CN(Cc1ccco1)C1CCCC1 ZINC000052077009 400716678 /nfs/dbraw/zinc/71/66/78/400716678.db2.gz XBJRKWGRONEABB-UHFFFAOYSA-N 0 0 302.418 3.225 10 30 DGEERN C=CCOc1cccnc1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000619230784 400805375 /nfs/dbraw/zinc/80/53/75/400805375.db2.gz ZIDAOZOPTNUNCJ-UHFFFAOYSA-N 0 0 322.355 3.344 10 30 DGEERN Cc1nc2c(cccc2C(=O)NCc2ccc(C#N)cc2F)o1 ZINC000619285378 400813888 /nfs/dbraw/zinc/81/38/88/400813888.db2.gz JLBOQJZKCWQPFE-UHFFFAOYSA-N 0 0 309.300 3.077 10 30 DGEERN C=C(Br)CNc1ccc(Br)cc1N ZINC000168185806 400756803 /nfs/dbraw/zinc/75/68/03/400756803.db2.gz NQAAYYRONXGOHP-UHFFFAOYSA-N 0 0 306.001 3.352 10 30 DGEERN C=CCSCCNC(=O)c1cc2cccc(F)c2nc1C ZINC000593121152 400768391 /nfs/dbraw/zinc/76/83/91/400768391.db2.gz YDYVZYYFUAQVBZ-UHFFFAOYSA-N 0 0 304.390 3.331 10 30 DGEERN C=CCC1(NC(=O)CNC(=O)c2ccc(C)c(C)c2)CCCC1 ZINC000619106018 400770276 /nfs/dbraw/zinc/77/02/76/400770276.db2.gz KYFJEVKNASIVMM-UHFFFAOYSA-N 0 0 314.429 3.038 10 30 DGEERN CO[C@H](C)c1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000171073710 400785004 /nfs/dbraw/zinc/78/50/04/400785004.db2.gz MEKCIJGGCFEZGX-CYBMUJFWSA-N 0 0 309.369 3.316 10 30 DGEERN C[C@@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)c1ccncc1 ZINC000614299101 400873460 /nfs/dbraw/zinc/87/34/60/400873460.db2.gz HMKHNQVAGBJHFY-ZDUSSCGKSA-N 0 0 320.396 3.359 10 30 DGEERN C=CC[C@@H]1N(S(=O)(=O)c2ccsc2C#N)CCCC1(C)C ZINC000593587325 400876694 /nfs/dbraw/zinc/87/66/94/400876694.db2.gz DWTHQHIEPCIPSA-AWEZNQCLSA-N 0 0 324.471 3.375 10 30 DGEERN Cc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055558440 400877748 /nfs/dbraw/zinc/87/77/48/400877748.db2.gz IKOJUIUINZQKSC-UHFFFAOYSA-N 0 0 324.764 3.460 10 30 DGEERN N#CC1(c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)CC1 ZINC000181444358 400888374 /nfs/dbraw/zinc/88/83/74/400888374.db2.gz RZFQLOYJTCWMCY-UHFFFAOYSA-N 0 0 302.337 3.370 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000180411247 400882809 /nfs/dbraw/zinc/88/28/09/400882809.db2.gz CILOSPSRAKSRLQ-OAHLLOKOSA-N 0 0 312.417 3.416 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000180411227 400883181 /nfs/dbraw/zinc/88/31/81/400883181.db2.gz CILOSPSRAKSRLQ-HNNXBMFYSA-N 0 0 312.417 3.416 10 30 DGEERN Cc1nc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)sc1C ZINC000180502966 400884192 /nfs/dbraw/zinc/88/41/92/400884192.db2.gz WFADOEGOTYUPLX-UHFFFAOYSA-N 0 0 311.410 3.245 10 30 DGEERN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C#N)C1CC1 ZINC000180664977 400885408 /nfs/dbraw/zinc/88/54/08/400885408.db2.gz QMWULULLFIVUSD-HUUCEWRRSA-N 0 0 306.793 3.162 10 30 DGEERN N#CCc1cccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c1 ZINC000619487300 400855927 /nfs/dbraw/zinc/85/59/27/400855927.db2.gz STAPFRHNMDZUQN-UHFFFAOYSA-N 0 0 318.442 3.098 10 30 DGEERN N#Cc1cccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000174989469 400864084 /nfs/dbraw/zinc/86/40/84/400864084.db2.gz QWGFXGSDRHNHEY-UHFFFAOYSA-N 0 0 322.368 3.018 10 30 DGEERN N#C[C@@]1(F)CCN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000619561775 400866875 /nfs/dbraw/zinc/86/68/75/400866875.db2.gz JJICJESAIJVSRX-NOLJZWGESA-N 0 0 321.783 3.233 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(OCC)CCC1 ZINC000614729914 400937703 /nfs/dbraw/zinc/93/77/03/400937703.db2.gz RAEYCDZBDJJOSX-UHFFFAOYSA-N 0 0 319.449 3.328 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000633411225 400939415 /nfs/dbraw/zinc/93/94/15/400939415.db2.gz LEUPJLVDLLGAAI-AWEZNQCLSA-N 0 0 324.856 3.485 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000633410073 400939949 /nfs/dbraw/zinc/93/99/49/400939949.db2.gz CCVQCKCTOMXSAN-LBPRGKRZSA-N 0 0 322.371 3.342 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000614424852 400899589 /nfs/dbraw/zinc/89/95/89/400899589.db2.gz NCBJETCVZHMVNR-MRXNPFEDSA-N 0 0 304.365 3.113 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC000183566787 400900926 /nfs/dbraw/zinc/90/09/26/400900926.db2.gz FECVLJLQWCKJOS-AWEZNQCLSA-N 0 0 322.474 3.186 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000184750066 400903946 /nfs/dbraw/zinc/90/39/46/400903946.db2.gz UBAFZUWIFVWFKV-MRXNPFEDSA-N 0 0 315.417 3.356 10 30 DGEERN C=CCn1c(CC(C)(C)C)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593757429 400904938 /nfs/dbraw/zinc/90/49/38/400904938.db2.gz CZMOKHARMUANHF-UHFFFAOYSA-N 0 0 321.428 3.445 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593761773 400906415 /nfs/dbraw/zinc/90/64/15/400906415.db2.gz NVPMCNIBACKAFW-UHFFFAOYSA-N 0 0 305.385 3.123 10 30 DGEERN CCc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 ZINC000619817538 400909213 /nfs/dbraw/zinc/90/92/13/400909213.db2.gz OECGRMXPVIFOOI-SFHVURJKSA-N 0 0 309.417 3.019 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@H](CC)c2ccc(F)cc2)nn1 ZINC000593935769 400922399 /nfs/dbraw/zinc/92/23/99/400922399.db2.gz IMOLJIKJPUKAAP-ZHRRBRCNSA-N 0 0 321.421 3.393 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@@H](C)c2ccc(F)cc2)nn1 ZINC000593936332 400922450 /nfs/dbraw/zinc/92/24/50/400922450.db2.gz SDUDICFWHWFBRY-LAJNKCICSA-N 0 0 307.394 3.003 10 30 DGEERN C=CCCn1cc(C[S@](=O)[C@@H](C)c2ccccc2F)nn1 ZINC000593936000 400922462 /nfs/dbraw/zinc/92/24/62/400922462.db2.gz NKVUOFBBWDJWMI-QKVFXAPYSA-N 0 0 307.394 3.003 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@H](CC)c2ccc(F)cc2)nn1 ZINC000593935768 400922570 /nfs/dbraw/zinc/92/25/70/400922570.db2.gz IMOLJIKJPUKAAP-OPAMFIHVSA-N 0 0 321.421 3.393 10 30 DGEERN C=CCCn1cc(C[S@@](=O)CCCCc2ccccc2)nn1 ZINC000593941163 400923552 /nfs/dbraw/zinc/92/35/52/400923552.db2.gz NUWBXHWWINDHNJ-QFIPXVFZSA-N 0 0 317.458 3.126 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@@H](C)[C@H]2CCCO2)cc1 ZINC000614679468 400929684 /nfs/dbraw/zinc/92/96/84/400929684.db2.gz LTICRIPSLCHCLV-RHSMWYFYSA-N 0 0 303.402 3.073 10 30 DGEERN CC(=O)N(Cc1ccc(NC(=O)CCCCC#N)cc1)C(C)C ZINC000593980850 400934828 /nfs/dbraw/zinc/93/48/28/400934828.db2.gz AUDNQADSPIZSRU-UHFFFAOYSA-N 0 0 315.417 3.466 10 30 DGEERN N#CCc1cccc(I)c1Br ZINC000238049987 400997867 /nfs/dbraw/zinc/99/78/67/400997867.db2.gz JCADWVHWWXUBDV-UHFFFAOYSA-N 0 0 321.943 3.120 10 30 DGEERN C=CCCC(C)(C)NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000620858816 400998800 /nfs/dbraw/zinc/99/88/00/400998800.db2.gz QAHKNFMFSCLKCR-CQSZACIVSA-N 0 0 301.434 3.402 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC2(C1)CCCO2 ZINC000624975977 400999089 /nfs/dbraw/zinc/99/90/89/400999089.db2.gz CRELNVTUDHUAMM-UHFFFAOYSA-N 0 0 324.428 3.199 10 30 DGEERN C=CCCC(C)(C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000620863911 400999532 /nfs/dbraw/zinc/99/95/32/400999532.db2.gz IDFRWLMOAPWCRO-MRXNPFEDSA-N 0 0 302.418 3.115 10 30 DGEERN C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC[C@H](CCF)C1 ZINC000624843626 400968517 /nfs/dbraw/zinc/96/85/17/400968517.db2.gz RKSJFMRDIMPAJZ-RBSFLKMASA-N 0 0 322.428 3.280 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC000624849770 400969014 /nfs/dbraw/zinc/96/90/14/400969014.db2.gz GHLDVCWPUOTWLK-LYKUJDHUSA-N 0 0 312.421 3.037 10 30 DGEERN C[C@@H](C#N)Nc1ccc(I)cc1Cl ZINC000232149391 400969927 /nfs/dbraw/zinc/96/99/27/400969927.db2.gz SNIDSQDLSVBNER-LURJTMIESA-N 0 0 306.534 3.269 10 30 DGEERN C#C[C@@H](C)Nc1ccc(I)cc1Cl ZINC000232149469 400970025 /nfs/dbraw/zinc/97/00/25/400970025.db2.gz YHSCMVMYQJOBPE-SSDOTTSWSA-N 0 0 305.546 3.378 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000057158050 400976858 /nfs/dbraw/zinc/97/68/58/400976858.db2.gz KYHAOTKMUNZZHX-NVXWUHKLSA-N 0 0 316.445 3.256 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cc(C)nn1CC ZINC000624884220 400980160 /nfs/dbraw/zinc/98/01/60/400980160.db2.gz DSLDAHKFAIJLQI-UHFFFAOYSA-N 0 0 301.365 3.179 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)(F)F)CCOCC1 ZINC000620301431 401049601 /nfs/dbraw/zinc/04/96/01/401049601.db2.gz BPZCMSFWCBEUIO-TXEJJXNPSA-N 0 0 303.324 3.055 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1Br ZINC000620304446 401050469 /nfs/dbraw/zinc/05/04/69/401050469.db2.gz ZTJPKYMCIZJEFZ-PHIMTYICSA-N 0 0 307.191 3.167 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1Cc1ccccc1 ZINC000620304286 401050803 /nfs/dbraw/zinc/05/08/03/401050803.db2.gz UJTVJFXOLOBDCK-HDICACEKSA-N 0 0 321.424 3.184 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c2ccccc2nc1CC ZINC000620305864 401051986 /nfs/dbraw/zinc/05/19/86/401051986.db2.gz UABRIASPXXYCLQ-GASCZTMLSA-N 0 0 309.413 3.308 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(COC(C)(C)C)on1 ZINC000620305976 401052026 /nfs/dbraw/zinc/05/20/26/401052026.db2.gz YJMFMOZPXIOGDJ-BETUJISGSA-N 0 0 304.390 3.313 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC(F)F)ccn1 ZINC000620306017 401052162 /nfs/dbraw/zinc/05/21/62/401052162.db2.gz ZEPIYWWASRBZFT-TXEJJXNPSA-N 0 0 308.328 3.049 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1-c1ccccc1 ZINC000620305454 401052473 /nfs/dbraw/zinc/05/24/73/401052473.db2.gz GZQBRTFSNUSQLV-IYBDPMFKSA-N 0 0 305.381 3.467 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000620307040 401052607 /nfs/dbraw/zinc/05/26/07/401052607.db2.gz XKPMNENAJGIDLJ-XQQFMLRXSA-N 0 0 304.415 3.318 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc([C@@H](C)OC)nc1C ZINC000620310190 401053401 /nfs/dbraw/zinc/05/34/01/401053401.db2.gz XCZKALURQZNUCB-UPJWGTAASA-N 0 0 306.431 3.482 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC000620312902 401053498 /nfs/dbraw/zinc/05/34/98/401053498.db2.gz QWZILBKJJFUTMN-BHYGNILZSA-N 0 0 313.397 3.366 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000620309557 401053686 /nfs/dbraw/zinc/05/36/86/401053686.db2.gz SDPADCJZXABILT-IYBDPMFKSA-N 0 0 309.369 3.368 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(C)c2s1 ZINC000620314100 401054167 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ZINC000615260265 401045219 /nfs/dbraw/zinc/04/52/19/401045219.db2.gz SOALVDPCPWZVHO-MAUKXSAKSA-N 0 0 302.418 3.016 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000621033261 401047731 /nfs/dbraw/zinc/04/77/31/401047731.db2.gz IRNCMXBOTKMERJ-HOCLYGCPSA-N 0 0 302.418 3.004 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000058272534 401047788 /nfs/dbraw/zinc/04/77/88/401047788.db2.gz PKQVQVOQXSLUKN-UHFFFAOYSA-N 0 0 310.275 3.131 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000621167633 401102926 /nfs/dbraw/zinc/10/29/26/401102926.db2.gz OQUWYCVLTWGZDR-HOCLYGCPSA-N 0 0 300.402 3.116 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Nc1cccc(C(C)=O)c1 ZINC000060321870 401106347 /nfs/dbraw/zinc/10/63/47/401106347.db2.gz ZXNQQBKFFGHRDF-UHFFFAOYSA-N 0 0 300.280 3.471 10 30 DGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000625353321 401107950 /nfs/dbraw/zinc/10/79/50/401107950.db2.gz CNDGCWIUMQQJFP-JTQLQIEISA-N 0 0 303.786 3.066 10 30 DGEERN N#C[C@@]1(F)CCN(C(=O)CCc2cccc(C(F)(F)F)c2)C1 ZINC000615596952 401114282 /nfs/dbraw/zinc/11/42/82/401114282.db2.gz VLSIUUMVKWDRCD-AWEZNQCLSA-N 0 0 314.282 3.102 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000620532539 401119053 /nfs/dbraw/zinc/11/90/53/401119053.db2.gz VTFGAFAOIOYPPY-QXAKKESOSA-N 0 0 323.367 3.459 10 30 DGEERN N#C[C@]1(F)CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 ZINC000615661570 401129502 /nfs/dbraw/zinc/12/95/02/401129502.db2.gz JIQYQVMEQTYYQU-OAHLLOKOSA-N 0 0 319.723 3.073 10 30 DGEERN N#Cc1cc(C[S@@](=O)c2ccc(Br)cc2)ccn1 ZINC000084263162 401134931 /nfs/dbraw/zinc/13/49/31/401134931.db2.gz RILDFLPKHUTUFW-SFHVURJKSA-N 0 0 321.199 3.024 10 30 DGEERN CCCCCCCCCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000059568740 401092167 /nfs/dbraw/zinc/09/21/67/401092167.db2.gz SLLANJFSRWXPEP-HNNXBMFYSA-N 0 0 319.467 3.040 10 30 DGEERN C=C(C)C[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OC ZINC000059618773 401094284 /nfs/dbraw/zinc/09/42/84/401094284.db2.gz FSPZRLHBIGHJEC-QGZVFWFLSA-N 0 0 311.381 3.006 10 30 DGEERN C=CCCOCC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000620654525 401166771 /nfs/dbraw/zinc/16/67/71/401166771.db2.gz SZQLTFFNFVRJIO-UHFFFAOYSA-N 0 0 324.218 3.192 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000630017145 401158217 /nfs/dbraw/zinc/15/82/17/401158217.db2.gz MPYYLPJNFLMAEN-BETUJISGSA-N 0 0 309.369 3.106 10 30 DGEERN C=CCCC(C)(C)CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000633963191 401166874 /nfs/dbraw/zinc/16/68/74/401166874.db2.gz FNZFNJSRQNLDEC-CQSZACIVSA-N 0 0 318.392 3.360 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCC(Cc2nccs2)CC1 ZINC000633950582 401159123 /nfs/dbraw/zinc/15/91/23/401159123.db2.gz XXRYLBZJQNSKRJ-KRWDZBQOSA-N 0 0 322.474 3.153 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCF)CC1 ZINC000633961304 401165486 /nfs/dbraw/zinc/16/54/86/401165486.db2.gz JPKYFLPHGZZKBC-UHFFFAOYSA-N 0 0 321.392 3.472 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000633964987 401167981 /nfs/dbraw/zinc/16/79/81/401167981.db2.gz 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C=C(C)C[C@@H]1NC(=O)N(c2cccc(O[C@H](C)CC)c2)C1=O ZINC000630505370 401279996 /nfs/dbraw/zinc/27/99/96/401279996.db2.gz PQAILAYKEZMCMY-DOMZBBRYSA-N 0 0 302.374 3.255 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2cccc(OCCCC)c2)C1=O ZINC000630505115 401280145 /nfs/dbraw/zinc/28/01/45/401280145.db2.gz NXXWGKNQSWRSFE-OAHLLOKOSA-N 0 0 302.374 3.257 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2ccc3nc(CC)sc3c2)C1=O ZINC000630522103 401282430 /nfs/dbraw/zinc/28/24/30/401282430.db2.gz NCWOSNMAHHJRKX-GFCCVEGCSA-N 0 0 315.398 3.250 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(c2ccc(OCCC)c(F)c2)C1=O ZINC000630532137 401283878 /nfs/dbraw/zinc/28/38/78/401283878.db2.gz GLGPTBLWBHFQFM-ZDUSSCGKSA-N 0 0 306.337 3.006 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000600350964 401239509 /nfs/dbraw/zinc/23/95/09/401239509.db2.gz AJGOWTRVWAFSHJ-RRFJBIMHSA-N 0 0 309.450 3.415 10 30 DGEERN C[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1cccc(C#N)c1 ZINC000608482000 401258814 /nfs/dbraw/zinc/25/88/14/401258814.db2.gz 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ZINC000626299196 401336753 /nfs/dbraw/zinc/33/67/53/401336753.db2.gz PTFHQGOVJLJWQX-UHFFFAOYSA-N 0 0 306.406 3.436 10 30 DGEERN C=C1CC(C)(C(=O)NCc2sccc2Br)C1 ZINC000630857898 401343889 /nfs/dbraw/zinc/34/38/89/401343889.db2.gz XQQYKCVIHPGUBD-UHFFFAOYSA-N 0 0 300.221 3.483 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000626370203 401348137 /nfs/dbraw/zinc/34/81/37/401348137.db2.gz FSWOQFQABGLMTL-GFCCVEGCSA-N 0 0 301.390 3.463 10 30 DGEERN CC(=O)CCCc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000630593696 401293945 /nfs/dbraw/zinc/29/39/45/401293945.db2.gz PINXMLOQZFPCAB-UHFFFAOYSA-N 0 0 322.290 3.069 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)cc2F)C1 ZINC000626371507 401348224 /nfs/dbraw/zinc/34/82/24/401348224.db2.gz VAFFGOIYZJFUKL-LLVKDONJSA-N 0 0 308.353 3.273 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(OC(C)C)nc1 ZINC000066305424 401301317 /nfs/dbraw/zinc/30/13/17/401301317.db2.gz AFLVFPNZUOWQQT-UHFFFAOYSA-N 0 0 302.296 3.059 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000626428261 401355759 /nfs/dbraw/zinc/35/57/59/401355759.db2.gz YSJFLSRPISPBEZ-UHFFFAOYSA-N 0 0 317.433 3.421 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)cc2OC)C1 ZINC000626444526 401358606 /nfs/dbraw/zinc/35/86/06/401358606.db2.gz GUVNUVIQVQTMOP-GFCCVEGCSA-N 0 0 320.389 3.142 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O ZINC000630967454 401362660 /nfs/dbraw/zinc/36/26/60/401362660.db2.gz MTRAGLPRABWKPX-GFCCVEGCSA-N 0 0 312.291 3.092 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2cccc(OC(C)C)c2)C1=O ZINC000630968661 401362756 /nfs/dbraw/zinc/36/27/56/401362756.db2.gz BHDKVVNHQJRNBJ-BBRMVZONSA-N 0 0 316.401 3.421 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O ZINC000630966020 401362796 /nfs/dbraw/zinc/36/27/96/401362796.db2.gz AKWQZEMVVQXYNE-HNNXBMFYSA-N 0 0 316.401 3.251 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc(OC(C)C)cc2)C1=O ZINC000630970481 401363217 /nfs/dbraw/zinc/36/32/17/401363217.db2.gz 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401367970 /nfs/dbraw/zinc/36/79/70/401367970.db2.gz ISTPDLQBJPONSB-UHFFFAOYSA-N 0 0 318.343 3.471 10 30 DGEERN CC(=O)c1cccc(C#N)c1OCc1nnc(C(C)C)s1 ZINC000631032592 401374046 /nfs/dbraw/zinc/37/40/46/401374046.db2.gz DSYBLOCWDHBRMN-UHFFFAOYSA-N 0 0 301.371 3.315 10 30 DGEERN C=CCNC(=O)CNC(=O)Nc1cccc(C2CCCCC2)c1 ZINC000626644448 401388280 /nfs/dbraw/zinc/38/82/80/401388280.db2.gz WSIKBCNDIWEOOA-UHFFFAOYSA-N 0 0 315.417 3.158 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2sccc2[C@H]1CC ZINC000622781649 401415240 /nfs/dbraw/zinc/41/52/40/401415240.db2.gz AXYRTPGOYWOTNG-LSDHHAIUSA-N 0 0 320.458 3.055 10 30 DGEERN C=CCN(CC=C)C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC000635065638 401409155 /nfs/dbraw/zinc/40/91/55/401409155.db2.gz LXWMKQUUPLDBGH-UHFFFAOYSA-N 0 0 302.399 3.455 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)Nc1cc(Cl)cc(C)c1OC ZINC000626823817 401419777 /nfs/dbraw/zinc/41/97/77/401419777.db2.gz CTJOPKGSKGYYLE-LBPRGKRZSA-N 0 0 312.797 3.106 10 30 DGEERN C=C(C)COCCNC(=O)Nc1cc(Cl)cc(C)c1OC ZINC000626828636 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C=CCCc1ccccc1NC(=O)C(=O)N[C@]12C[C@H]1CCCC2 ZINC000635295952 401429199 /nfs/dbraw/zinc/42/91/99/401429199.db2.gz KRHVMIMMUPBKNK-DNVCBOLYSA-N 0 0 312.413 3.193 10 30 DGEERN C=CC1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000631223147 401429793 /nfs/dbraw/zinc/42/97/93/401429793.db2.gz WQEOIASGGSZQRT-UHFFFAOYSA-N 0 0 313.170 3.021 10 30 DGEERN C=CC1CCN(C(=O)c2ccc(C)c(-c3cnn(C)c3)c2)CC1 ZINC000631222317 401430100 /nfs/dbraw/zinc/43/01/00/401430100.db2.gz NOTAXFDVTXOFPA-UHFFFAOYSA-N 0 0 309.413 3.434 10 30 DGEERN C=CC[C@H](C)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000631343821 401455488 /nfs/dbraw/zinc/45/54/88/401455488.db2.gz HZSSNEMGATVMAU-VIFPVBQESA-N 0 0 306.353 3.261 10 30 DGEERN C=C(C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627621961 401478578 /nfs/dbraw/zinc/47/85/78/401478578.db2.gz PHXZIQJFRSFGHS-NWANDNLSSA-N 0 0 320.230 3.417 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000623188799 401470584 /nfs/dbraw/zinc/47/05/84/401470584.db2.gz KRFLSAUANJZHQO-UHFFFAOYSA-N 0 0 316.449 3.270 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/nfs/dbraw/zinc/53/79/98/401537998.db2.gz CVALNSJAFHYUSY-HNNXBMFYSA-N 0 0 309.413 3.385 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cc(O)cc(Br)c1 ZINC000628311623 401574108 /nfs/dbraw/zinc/57/41/08/401574108.db2.gz SJWQIZMQYAWLAZ-UHFFFAOYSA-N 0 0 312.207 3.487 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccnn1CCc1ccccc1 ZINC000628311399 401574152 /nfs/dbraw/zinc/57/41/52/401574152.db2.gz LPQKMNWUDFLJHG-UHFFFAOYSA-N 0 0 311.429 3.458 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000628312871 401574437 /nfs/dbraw/zinc/57/44/37/401574437.db2.gz RFEJJQHXHZDPDS-AWEZNQCLSA-N 0 0 304.409 3.371 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc(COCCOC)cc1 ZINC000628312971 401574616 /nfs/dbraw/zinc/57/46/16/401574616.db2.gz WINHPFLHDWPAQH-UHFFFAOYSA-N 0 0 305.418 3.182 10 30 DGEERN C=CC(C)(C)CCNC(=O)CCN1c2ccccc2CCC1=O ZINC000628316218 401575091 /nfs/dbraw/zinc/57/50/91/401575091.db2.gz NBGDDGSXROPZBW-UHFFFAOYSA-N 0 0 314.429 3.074 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1sc(-c2ncccn2)nc1C ZINC000628317600 401575434 /nfs/dbraw/zinc/57/54/34/401575434.db2.gz QTWDOMBZPDWVEN-UHFFFAOYSA-N 0 0 316.430 3.241 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000628317853 401575664 /nfs/dbraw/zinc/57/56/64/401575664.db2.gz CJHRTFRHRVALLW-AWEZNQCLSA-N 0 0 322.474 3.221 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000623855638 401588309 /nfs/dbraw/zinc/58/83/09/401588309.db2.gz DSAIXWJMDYQGFK-IAGOWNOFSA-N 0 0 315.461 3.115 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000632201224 401589597 /nfs/dbraw/zinc/58/95/97/401589597.db2.gz QCIMPZVSJQWRBO-ZDUSSCGKSA-N 0 0 317.429 3.355 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@H](c1ccnn1C)C(C)C ZINC000623926887 401600670 /nfs/dbraw/zinc/60/06/70/401600670.db2.gz SITABCMWGPZHPF-AWEZNQCLSA-N 0 0 306.454 3.061 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1 ZINC000623870240 401590783 /nfs/dbraw/zinc/59/07/83/401590783.db2.gz UENRGQRRHSHHHP-NSHDSACASA-N 0 0 312.335 3.254 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H](CCOC)Cc1ccco1 ZINC000623877487 401592583 /nfs/dbraw/zinc/59/25/83/401592583.db2.gz CUKMCWYKLAWMSV-AWEZNQCLSA-N 0 0 308.422 3.129 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2F)C1 ZINC000623878391 401592669 /nfs/dbraw/zinc/59/26/69/401592669.db2.gz GUSMRWIGLLYHIM-LLVKDONJSA-N 0 0 312.335 3.254 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCCc2ccn(-c3ccccc3)n2)C1 ZINC000623536414 401541613 /nfs/dbraw/zinc/54/16/13/401541613.db2.gz UUOLCHPIBGUTBG-MRXNPFEDSA-N 0 0 324.428 3.022 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000623542113 401542661 /nfs/dbraw/zinc/54/26/61/401542661.db2.gz OCGPWTQQQWUIPR-CQSZACIVSA-N 0 0 318.417 3.420 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000623549073 401543770 /nfs/dbraw/zinc/54/37/70/401543770.db2.gz ORUOABRKJSHMLW-CYBMUJFWSA-N 0 0 324.371 3.438 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000631733243 401546212 /nfs/dbraw/zinc/54/62/12/401546212.db2.gz AFWHBRLULLVZFR-LBPRGKRZSA-N 0 0 306.356 3.016 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCC2(c3cccc(F)c3)CC2)C1 ZINC000623646394 401561493 /nfs/dbraw/zinc/56/14/93/401561493.db2.gz FHRIYQBXYSJGJH-CQSZACIVSA-N 0 0 302.393 3.465 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Oc3ncccc3C)CC2)C1 ZINC000632789993 401626555 /nfs/dbraw/zinc/62/65/55/401626555.db2.gz CHMHDLNLIHMGJE-UHFFFAOYSA-N 0 0 300.402 3.116 10 30 DGEERN C=C1CC(C)(C(=O)N[C@H](CCCOC)Cc2ccccc2)C1 ZINC000632814686 401628233 /nfs/dbraw/zinc/62/82/33/401628233.db2.gz NPIDUAJBPANBHU-QGZVFWFLSA-N 0 0 301.430 3.497 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCCc2ccc(Cl)c(OC)c2)C1 ZINC000624129733 401630526 /nfs/dbraw/zinc/63/05/26/401630526.db2.gz VYXLDBBIHNEYRY-AWEZNQCLSA-N 0 0 322.836 3.499 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@H]2CSc3ccccc32)C1 ZINC000624136206 401631121 /nfs/dbraw/zinc/63/11/21/401631121.db2.gz AIEAZSIZXDSUGQ-KBPBESRZSA-N 0 0 302.443 3.484 10 30 DGEERN C=C(C)CCNC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000624152611 401632419 /nfs/dbraw/zinc/63/24/19/401632419.db2.gz CQSGDJDGMBQSAY-CQSZACIVSA-N 0 0 306.381 3.299 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@](C)(OC)c2ccccc2)C1 ZINC000624154051 401632979 /nfs/dbraw/zinc/63/29/79/401632979.db2.gz ASIHVYNXLKZHJF-CRAIPNDOSA-N 0 0 302.418 3.156 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000628775159 401638259 /nfs/dbraw/zinc/63/82/59/401638259.db2.gz ZOCMUSQUGIFWSL-IUODEOHRSA-N 0 0 301.365 3.357 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC000624213569 401639414 /nfs/dbraw/zinc/63/94/14/401639414.db2.gz ODBUKFVAHWLXIC-ZVZYQTTQSA-N 0 0 314.429 3.406 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1csc(N(C)C)n1 ZINC000633062508 401648640 /nfs/dbraw/zinc/64/86/40/401648640.db2.gz CFQMBHBMJDOPCT-UHFFFAOYSA-N 0 0 310.467 3.001 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2C)C1 ZINC000628484346 401606381 /nfs/dbraw/zinc/60/63/81/401606381.db2.gz KRUCLNSMEHMKMA-CQSZACIVSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 ZINC000628484854 401606416 /nfs/dbraw/zinc/60/64/16/401606416.db2.gz WKIZCJRRBYMWCE-GFCCVEGCSA-N 0 0 317.414 3.155 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000628484619 401606432 /nfs/dbraw/zinc/60/64/32/401606432.db2.gz QSNAKFPERWDQIT-HNNXBMFYSA-N 0 0 321.424 3.399 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000628484741 401606471 /nfs/dbraw/zinc/60/64/71/401606471.db2.gz UGUQCQOMHHOINL-MAUKXSAKSA-N 0 0 315.413 3.283 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000628487230 401606565 /nfs/dbraw/zinc/60/65/65/401606565.db2.gz ADGOUSQTPUAVQN-ZDUSSCGKSA-N 0 0 314.360 3.448 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CSc2nccn2C(C)(C)C)C1 ZINC000628486165 401606869 /nfs/dbraw/zinc/60/68/69/401606869.db2.gz BXOKKUVQMCDYQD-ZDUSSCGKSA-N 0 0 307.463 3.155 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)C1 ZINC000628486377 401606914 /nfs/dbraw/zinc/60/69/14/401606914.db2.gz HFFZDQDTPWGHTN-CYBMUJFWSA-N 0 0 300.358 3.210 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000628490071 401607119 /nfs/dbraw/zinc/60/71/19/401607119.db2.gz OZTSNUFAXBIRHM-CQSZACIVSA-N 0 0 310.397 3.298 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000628487994 401607157 /nfs/dbraw/zinc/60/71/57/401607157.db2.gz PKTGYTPCHQYRTQ-GFCCVEGCSA-N 0 0 302.399 3.370 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000628490540 401607215 /nfs/dbraw/zinc/60/72/15/401607215.db2.gz AQKDAYPPXGDVKQ-KMFMINBZSA-N 0 0 315.413 3.232 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000628490081 401607315 /nfs/dbraw/zinc/60/73/15/401607315.db2.gz PDHZBIDHOJICFP-LBPRGKRZSA-N 0 0 301.386 3.144 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)C1 ZINC000628489414 401607322 /nfs/dbraw/zinc/60/73/22/401607322.db2.gz WCDGRKOSPUTWHV-OAHLLOKOSA-N 0 0 307.397 3.490 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)[C@H]2OCCc3sccc32)C1 ZINC000628491872 401607493 /nfs/dbraw/zinc/60/74/93/401607493.db2.gz JLLMIFUZOBMKEB-WOSRLPQWSA-N 0 0 305.443 3.423 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2C)C1 ZINC000628492013 401607639 /nfs/dbraw/zinc/60/76/39/401607639.db2.gz MHQWQOLYSHJEFC-CQSZACIVSA-N 0 0 313.376 3.358 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc3nnc(C(C)(C)C)n3c2)C1 ZINC000628491397 401607665 /nfs/dbraw/zinc/60/76/65/401607665.db2.gz XOUYIHGWEYDXKL-CYBMUJFWSA-N 0 0 312.417 3.065 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000628492346 401607776 /nfs/dbraw/zinc/60/77/76/401607776.db2.gz SJAQWAGQDJABQR-AWEZNQCLSA-N 0 0 309.413 3.339 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Cc2cc(Cl)cc3c2OCC3)C1 ZINC000628490749 401607807 /nfs/dbraw/zinc/60/78/07/401607807.db2.gz GDWZUVZTSXFBQV-LBPRGKRZSA-N 0 0 305.805 3.242 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CSc3ccccc3O2)C1 ZINC000624279351 401646535 /nfs/dbraw/zinc/64/65/35/401646535.db2.gz NUISHOSMWLDDOX-KGLIPLIRSA-N 0 0 318.442 3.147 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCC(=O)c2c(F)cccc2F)C1 ZINC000628493745 401608314 /nfs/dbraw/zinc/60/83/14/401608314.db2.gz WILRGDYHLZNPNB-LBPRGKRZSA-N 0 0 307.340 3.352 10 30 DGEERN C=C1CC(C)(C(=O)NCc2nc3cccc(Cl)c3n2C)C1 ZINC000632540304 401613373 /nfs/dbraw/zinc/61/33/73/401613373.db2.gz BAORVZYXQAQEOE-UHFFFAOYSA-N 0 0 303.793 3.199 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)C1 ZINC000632542308 401613401 /nfs/dbraw/zinc/61/34/01/401613401.db2.gz VUEZZPQDHIEKQA-UHFFFAOYSA-N 0 0 317.404 3.078 10 30 DGEERN C=C1CC(C)(C(=O)NCc2nc3cc(Cl)ccc3n2C)C1 ZINC000632579176 401615399 /nfs/dbraw/zinc/61/53/99/401615399.db2.gz NHKIARGTCLURIG-UHFFFAOYSA-N 0 0 303.793 3.199 10 30 DGEERN C=CCCC1(CNC(=O)N2CC[C@@H](CO)C[C@H]2C)CCCC1 ZINC000624339363 401652993 /nfs/dbraw/zinc/65/29/93/401652993.db2.gz OWWBMUVJQDBTQC-HZPDHXFCSA-N 0 0 308.466 3.315 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)OCC ZINC000628984456 401653697 /nfs/dbraw/zinc/65/36/97/401653697.db2.gz ZHXMRDAGBINKER-HUHSQHJXSA-N 0 0 319.832 3.466 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@@H](O)[C@H](C)c1ccccc1 ZINC000624460149 401662288 /nfs/dbraw/zinc/66/22/88/401662288.db2.gz NPNADFSODOBBOU-GDBMZVCRSA-N 0 0 304.434 3.053 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccc2c(n1)CCCC2 ZINC000624464142 401662609 /nfs/dbraw/zinc/66/26/09/401662609.db2.gz NGQNHBSWHHGFCB-UHFFFAOYSA-N 0 0 301.434 3.362 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000624470054 401663283 /nfs/dbraw/zinc/66/32/83/401663283.db2.gz LVSRQFJIIYNQKE-UHFFFAOYSA-N 0 0 318.417 3.202 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000624470057 401663372 /nfs/dbraw/zinc/66/33/72/401663372.db2.gz MBBFHMFVNUQUKL-UHFFFAOYSA-N 0 0 321.490 3.178 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CC[C@H](c2ccc(O)cc2)C1 ZINC000624726273 401685587 /nfs/dbraw/zinc/68/55/87/401685587.db2.gz MIIPECXOLLKUII-INIZCTEOSA-N 0 0 306.365 3.460 10 30 DGEERN C=CCC1(CNC(=O)Cc2cn3cc(C)sc3n2)CCCC1 ZINC000633337328 401673735 /nfs/dbraw/zinc/67/37/35/401673735.db2.gz HAPOIHZUXMSQRZ-UHFFFAOYSA-N 0 0 317.458 3.499 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(C)cn2)C1 ZINC000624595699 401674239 /nfs/dbraw/zinc/67/42/39/401674239.db2.gz SQAVFAWQEDGCRR-OAHLLOKOSA-N 0 0 301.434 3.275 10 30 DGEERN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000068839146 164557601 /nfs/dbraw/zinc/55/76/01/164557601.db2.gz FJHWFIADDDXMKD-LLVKDONJSA-N 0 0 312.822 3.022 10 30 DGEERN Cc1nnnn1-c1cccc(N[C@H](C)c2ccc(C#N)s2)c1 ZINC000182869293 164945545 /nfs/dbraw/zinc/94/55/45/164945545.db2.gz CYIQTVUSHMMTFK-SNVBAGLBSA-N 0 0 310.386 3.077 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2c(F)cccc2F)cn1 ZINC000185842118 165018733 /nfs/dbraw/zinc/01/87/33/165018733.db2.gz PRQQYLSPXLQCPT-UHFFFAOYSA-N 0 0 311.295 3.029 10 30 DGEERN C/C(=C\C(C)(C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185932845 165021817 /nfs/dbraw/zinc/02/18/17/165021817.db2.gz XBDWTACWNRFTPX-XYOKQWHBSA-N 0 0 309.373 3.070 10 30 DGEERN N#Cc1ccc(C(=O)NCc2nc3ccccc3n2C2CC2)cc1 ZINC000186017570 165025439 /nfs/dbraw/zinc/02/54/39/165025439.db2.gz WBGGLKOJELFBGJ-UHFFFAOYSA-N 0 0 316.364 3.173 10 30 DGEERN CCc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)o1 ZINC000186025257 165025484 /nfs/dbraw/zinc/02/54/84/165025484.db2.gz XFRAYESCDFDYCQ-LBPRGKRZSA-N 0 0 307.357 3.467 10 30 DGEERN COc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186022092 165025524 /nfs/dbraw/zinc/02/55/24/165025524.db2.gz HEXHSSCVVZTLIG-CYBMUJFWSA-N 0 0 319.368 3.321 10 30 DGEERN CN(CCc1cccs1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187588145 165097986 /nfs/dbraw/zinc/09/79/86/165097986.db2.gz VYMASXSHAHIXNC-UHFFFAOYSA-N 0 0 310.422 3.352 10 30 DGEERN CCOc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188718703 165134027 /nfs/dbraw/zinc/13/40/27/165134027.db2.gz JJNPSNVGLCAEHQ-UHFFFAOYSA-N 0 0 320.392 3.305 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)NCc1cc(C#N)ccc1F ZINC000188889791 165141357 /nfs/dbraw/zinc/14/13/57/165141357.db2.gz LESCOKPAFXBBHC-UHFFFAOYSA-N 0 0 315.348 3.122 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189663149 165172865 /nfs/dbraw/zinc/17/28/65/165172865.db2.gz YNVARRGMZIDYFE-CQSZACIVSA-N 0 0 321.428 3.042 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc(F)c1C#N ZINC000189819445 165177491 /nfs/dbraw/zinc/17/74/91/165177491.db2.gz JKWCZHNWHMPVOY-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN N#Cc1csc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189831128 165178185 /nfs/dbraw/zinc/17/81/85/165178185.db2.gz NVQQFBKORDOLMQ-UHFFFAOYSA-N 0 0 324.405 3.328 10 30 DGEERN N#Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189852862 165179498 /nfs/dbraw/zinc/17/94/98/165179498.db2.gz SITGOICQWAQWMJ-UHFFFAOYSA-N 0 0 318.376 3.267 10 30 DGEERN N#Cc1ccc(CNc2cc3c(cc2F)NC(=O)CC3)cc1F ZINC000190404846 165202895 /nfs/dbraw/zinc/20/28/95/165202895.db2.gz WTJYPQFJJZNROH-UHFFFAOYSA-N 0 0 313.307 3.333 10 30 DGEERN COc1ccc(C)cc1C[S@@](=O)Cc1ccc(C#N)c(F)c1 ZINC000190732868 165213466 /nfs/dbraw/zinc/21/34/66/165213466.db2.gz VHNWZPQXPNPGPI-QFIPXVFZSA-N 0 0 317.385 3.463 10 30 DGEERN Cc1ccc(C[S@@](=O)Cc2ccc(C#N)c(F)c2)c(C)n1 ZINC000190853982 165219617 /nfs/dbraw/zinc/21/96/17/165219617.db2.gz BFQYXPXXBSOCIU-NRFANRHFSA-N 0 0 302.374 3.158 10 30 DGEERN N#Cc1ccc(COc2ccc(Cl)cc2C(N)=O)cc1F ZINC000191734885 165266627 /nfs/dbraw/zinc/26/66/27/165266627.db2.gz IRNPOQLQMRCDGX-UHFFFAOYSA-N 0 0 304.708 3.029 10 30 DGEERN N#Cc1cc(C(=O)NCCc2csc3ccccc23)ccn1 ZINC000192765408 165306332 /nfs/dbraw/zinc/30/63/32/165306332.db2.gz IQFGKKBADXYSEX-UHFFFAOYSA-N 0 0 307.378 3.140 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(CC(F)(F)F)cc2)ccn1 ZINC000193339986 165325445 /nfs/dbraw/zinc/32/54/45/165325445.db2.gz GTDJIFQGAGZCHW-UHFFFAOYSA-N 0 0 305.259 3.310 10 30 DGEERN CCc1cc(NC(=O)c2ccnc(C#N)c2)c2ccccc2n1 ZINC000193738682 165331668 /nfs/dbraw/zinc/33/16/68/165331668.db2.gz CHJZEYSTFNSMOW-UHFFFAOYSA-N 0 0 302.337 3.316 10 30 DGEERN Cc1noc(-c2ccccc2)c1NC(=O)c1ccnc(C#N)c1 ZINC000193806989 165333723 /nfs/dbraw/zinc/33/37/23/165333723.db2.gz NNPFAGCLARLPIA-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3cc(C#N)ccc3F)CCO2)n1 ZINC000195388084 165369283 /nfs/dbraw/zinc/36/92/83/165369283.db2.gz NXPYSBHDSCRWNF-HNNXBMFYSA-N 0 0 317.389 3.036 10 30 DGEERN Cc1[nH]nc2ncc(NC(=O)C[C@H]3CCCCNC3=O)cc12 ZINC000329232350 533678582 /nfs/dbraw/zinc/67/85/82/533678582.db2.gz FXXOQHMVMPEGSI-SNVBAGLBSA-N 0 0 301.350 3.001 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(C#N)ccc1F ZINC000129354273 196041342 /nfs/dbraw/zinc/04/13/42/196041342.db2.gz LDUZNRGJSGVPQF-UHFFFAOYSA-N 0 0 317.327 3.184 10 30 DGEERN C[C@H](c1cccc(O)c1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000137022749 432168327 /nfs/dbraw/zinc/16/83/27/432168327.db2.gz GDKRXQPBEAWWLK-KGLIPLIRSA-N 0 0 324.380 3.251 10 30 DGEERN CO[C@@H](C)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000190801278 432190660 /nfs/dbraw/zinc/19/06/60/432190660.db2.gz LNDBSKMZCDOHSV-AWEZNQCLSA-N 0 0 323.396 3.059 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)Cc1cc(Cl)cn1C ZINC000129847408 196079887 /nfs/dbraw/zinc/07/98/87/196079887.db2.gz XGPGAGHNQMEMNQ-UHFFFAOYSA-N 0 0 301.777 3.131 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000172434986 432215025 /nfs/dbraw/zinc/21/50/25/432215025.db2.gz SANZBNMKQPCARW-AWEZNQCLSA-N 0 0 318.376 3.404 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000172477017 432216110 /nfs/dbraw/zinc/21/61/10/432216110.db2.gz MWLFZXBWNGWTRQ-MGPQQGTHSA-N 0 0 300.402 3.266 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc(OC)n1 ZINC000172530469 432220376 /nfs/dbraw/zinc/22/03/76/432220376.db2.gz WKLSSVPOPDZOLC-UHFFFAOYSA-N 0 0 313.357 3.187 10 30 DGEERN CCOCCC1(CNC(=O)c2ccc(C#N)cc2C)CCC1 ZINC000133216520 196322113 /nfs/dbraw/zinc/32/21/13/196322113.db2.gz WUUZNOVJAYYYEW-UHFFFAOYSA-N 0 0 300.402 3.193 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(CC#N)c1 ZINC000066710345 226814423 /nfs/dbraw/zinc/81/44/23/226814423.db2.gz PYLAHWFRSGKBNQ-DNVCBOLYSA-N 0 0 320.392 3.355 10 30 DGEERN O[C@@H](CN[C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000122136436 226973957 /nfs/dbraw/zinc/97/39/57/226973957.db2.gz QUPPWMCQYYYTHC-CBAPKCEASA-N 0 0 323.183 3.081 10 30 DGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@@H](C)CO ZINC000151555385 227062816 /nfs/dbraw/zinc/06/28/16/227062816.db2.gz UXGAILHKGABUJO-YNEHKIRRSA-N 0 0 321.446 3.219 10 30 DGEERN N#CCC[C@H](NC(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000132498306 227031317 /nfs/dbraw/zinc/03/13/17/227031317.db2.gz XAGFEDGBUNGUCN-IRXDYDNUSA-N 0 0 321.380 3.464 10 30 DGEERN Cc1cnc(CCN(C)C(=O)Nc2ccc(CC#N)cc2)s1 ZINC000153206016 227082478 /nfs/dbraw/zinc/08/24/78/227082478.db2.gz ZHPNVIMLQCQKRD-UHFFFAOYSA-N 0 0 314.414 3.224 10 30 DGEERN N#CCCN(Cc1nc(C2CCCC2)no1)Cc1ccccn1 ZINC000155070689 227109734 /nfs/dbraw/zinc/10/97/34/227109734.db2.gz QUKVHFVMLVLPCE-UHFFFAOYSA-N 0 0 311.389 3.038 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000161189936 228250721 /nfs/dbraw/zinc/25/07/21/228250721.db2.gz MOTYACZTAAAZTO-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 ZINC000171576242 228271587 /nfs/dbraw/zinc/27/15/87/228271587.db2.gz ZZTAWVQBDXXCEY-KRWDZBQOSA-N 0 0 322.412 3.080 10 30 DGEERN COC(=O)[C@@H](Nc1ccc2oc(C)nc2c1)c1cccc(C#N)c1 ZINC000176710492 228318525 /nfs/dbraw/zinc/31/85/25/228318525.db2.gz VCPRTEPVNQOUJY-KRWDZBQOSA-N 0 0 321.336 3.334 10 30 DGEERN CN(C)C(=O)Sc1ccc(CN(CCC#N)CCC#N)cc1 ZINC000176914842 228320894 /nfs/dbraw/zinc/32/08/94/228320894.db2.gz DUUIDCVFZFXJCV-UHFFFAOYSA-N 0 0 316.430 3.090 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000177103223 228324878 /nfs/dbraw/zinc/32/48/78/228324878.db2.gz IACQSTYCRONFJN-UHFFFAOYSA-N 0 0 320.392 3.076 10 30 DGEERN COC(C)(C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000179512546 228351238 /nfs/dbraw/zinc/35/12/38/228351238.db2.gz HSYBDXZLIVLTNL-SNVBAGLBSA-N 0 0 301.173 3.099 10 30 DGEERN COc1ccc2c(c1)CCN2C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180059074 228354456 /nfs/dbraw/zinc/35/44/56/228354456.db2.gz VKXPHBDDDOPGCF-UHFFFAOYSA-N 0 0 318.376 3.453 10 30 DGEERN COC(C)(C)C[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181128260 228359690 /nfs/dbraw/zinc/35/96/90/228359690.db2.gz UKOQXJLJKVVPAR-ZDUSSCGKSA-N 0 0 300.402 3.175 10 30 DGEERN COCc1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000181392209 228361399 /nfs/dbraw/zinc/36/13/99/228361399.db2.gz BDKMHJINLLBPQY-NSHDSACASA-N 0 0 311.366 3.261 10 30 DGEERN C[C@H](C#N)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000181972758 228365228 /nfs/dbraw/zinc/36/52/28/228365228.db2.gz FHFWMVFNAYXBTN-CYBMUJFWSA-N 0 0 307.438 3.010 10 30 DGEERN COc1cccc(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000183074254 228371759 /nfs/dbraw/zinc/37/17/59/228371759.db2.gz OMBUNKZJKNZNGU-UHFFFAOYSA-N 0 0 320.392 3.223 10 30 DGEERN N#CCOc1ccccc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184638551 228385931 /nfs/dbraw/zinc/38/59/31/228385931.db2.gz MSYWCHYODMBSKY-UHFFFAOYSA-N 0 0 318.376 3.277 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCSc3ccccc3)CC2)cc1 ZINC000187258517 228426590 /nfs/dbraw/zinc/42/65/90/228426590.db2.gz SKLBQMFQFLSYMM-UHFFFAOYSA-N 0 0 322.433 3.498 10 30 DGEERN Cc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1C#N ZINC000302662810 228900499 /nfs/dbraw/zinc/90/04/99/228900499.db2.gz PJAFWHHPJNBUMV-HNNXBMFYSA-N 0 0 322.412 3.271 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2nccs2)cn1 ZINC000328621272 228904293 /nfs/dbraw/zinc/90/42/93/228904293.db2.gz HRMLBCNPFFKSCW-WCFLWFBJSA-N 0 0 320.418 3.155 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000329803983 228960877 /nfs/dbraw/zinc/96/08/77/228960877.db2.gz LRGFXJAIDIQHLC-YFHUEUNASA-N 0 0 316.445 3.296 10 30 DGEERN O=C(N[C@H]1CCCCC12CCCC2)N1CCC[C@@](F)(CO)C1 ZINC000329839579 228963417 /nfs/dbraw/zinc/96/34/17/228963417.db2.gz WBBWCBJBVYVPFI-YOEHRIQHSA-N 0 0 312.429 3.200 10 30 DGEERN O=C(C[C@@H]1C=CCCC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329984838 228969912 /nfs/dbraw/zinc/96/99/12/228969912.db2.gz QOXRIBDZAPYTHM-ILXRZTDVSA-N 0 0 318.396 3.096 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000334129404 229040882 /nfs/dbraw/zinc/04/08/82/229040882.db2.gz SFEJVMLVIOZFTR-MHORFTMASA-N 0 0 312.413 3.271 10 30 DGEERN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(O)c1 ZINC000364701220 229454695 /nfs/dbraw/zinc/45/46/95/229454695.db2.gz MHBYOQSCIJVLQI-QZTJIDSGSA-N 0 0 306.365 3.304 10 30 DGEERN N#CC1CCC(CNC(=O)N2CC[C@H](c3ccco3)C2)CC1 ZINC000373005019 229548600 /nfs/dbraw/zinc/54/86/00/229548600.db2.gz PDQIZWMXFOUCSQ-NRXISQOPSA-N 0 0 301.390 3.108 10 30 DGEERN Cc1cc(NCC2(CCO)CC2)n2c3ccccc3nc2c1C#N ZINC000302388093 230231168 /nfs/dbraw/zinc/23/11/68/230231168.db2.gz BFMBJEMMBVVDKY-UHFFFAOYSA-N 0 0 320.396 3.242 10 30 DGEERN COc1ccccc1CCN(C)C(=O)c1cccc(F)c1C#N ZINC000187626595 263677241 /nfs/dbraw/zinc/67/72/41/263677241.db2.gz HOYCMOFILNWILS-UHFFFAOYSA-N 0 0 312.344 3.021 10 30 DGEERN CCNC(=O)c1cccc(C)c1OCc1ccc(C#N)c(F)c1 ZINC000190057204 263732189 /nfs/dbraw/zinc/73/21/89/263732189.db2.gz CUCCBWNINRWGBZ-UHFFFAOYSA-N 0 0 312.344 3.335 10 30 DGEERN CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000230344054 263842975 /nfs/dbraw/zinc/84/29/75/263842975.db2.gz VAOVOOIQBDVANB-OLZOCXBDSA-N 0 0 312.460 3.113 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1snc(C)c1C#N)CC2 ZINC000367833591 265675959 /nfs/dbraw/zinc/67/59/59/265675959.db2.gz CJJVWENJJAYDBN-UHFFFAOYSA-N 0 0 311.410 3.131 10 30 DGEERN COCCOc1ccccc1NC(=O)c1ccc(C#N)cc1C ZINC000162895140 266704023 /nfs/dbraw/zinc/70/40/23/266704023.db2.gz VAJAWSFHAYKRPW-UHFFFAOYSA-N 0 0 310.353 3.144 10 30 DGEERN COc1cc2c(cc1Cl)CN(C(=O)c1ccc(C#N)o1)CC2 ZINC000361059528 266847131 /nfs/dbraw/zinc/84/71/31/266847131.db2.gz GKDLIDIFMLQUJE-UHFFFAOYSA-N 0 0 316.744 3.012 10 30 DGEERN CCCCO[C@@H]1C[C@H](NC(=O)Cc2cccc(C#N)c2)C1(C)C ZINC000530916783 267010715 /nfs/dbraw/zinc/01/07/15/267010715.db2.gz LVPLDUODUYTGCX-DLBZAZTESA-N 0 0 314.429 3.201 10 30 DGEERN CCO[C@@H](CCNC(=O)Cc1cccc(C#N)c1)C1CCCC1 ZINC000530915726 267144347 /nfs/dbraw/zinc/14/43/47/267144347.db2.gz WOZBBRPBPWUDAH-SFHVURJKSA-N 0 0 314.429 3.202 10 30 DGEERN Cc1cc(C#N)nc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000367507388 267315243 /nfs/dbraw/zinc/31/52/43/267315243.db2.gz LJTSQZHTUXPAHO-CYBMUJFWSA-N 0 0 319.368 3.182 10 30 DGEERN Cc1cc(C#N)nc(N2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000376398138 267316585 /nfs/dbraw/zinc/31/65/85/267316585.db2.gz UNXKSIXYRNEITP-UHFFFAOYSA-N 0 0 316.364 3.479 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000376221810 267317366 /nfs/dbraw/zinc/31/73/66/267317366.db2.gz WFJFKKDKSXWOQY-GFCCVEGCSA-N 0 0 305.341 3.485 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1ncsc1Br ZINC000358882382 267390973 /nfs/dbraw/zinc/39/09/73/267390973.db2.gz YXRVLCXCTKZDNW-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN N#Cc1ccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)cc1F ZINC000362300744 268136677 /nfs/dbraw/zinc/13/66/77/268136677.db2.gz NUZGCSIRVCWIMW-UHFFFAOYSA-N 0 0 308.312 3.007 10 30 DGEERN N#Cc1ccc(OCc2ccc(N)cc2)c(Br)c1 ZINC000214321661 268179288 /nfs/dbraw/zinc/17/92/88/268179288.db2.gz JPGKCKSPZNAKHP-UHFFFAOYSA-N 0 0 303.159 3.482 10 30 DGEERN N#Cc1cccc(CC(=O)NCCCn2ccc3ccccc32)c1 ZINC000530919537 268274713 /nfs/dbraw/zinc/27/47/13/268274713.db2.gz RHWLSQZREDHHSF-UHFFFAOYSA-N 0 0 317.392 3.262 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000532017808 268277254 /nfs/dbraw/zinc/27/72/54/268277254.db2.gz JXRWILRKGHVTIB-QGZVFWFLSA-N 0 0 312.413 3.099 10 30 DGEERN N#Cc1ccsc1C(=O)Nc1c2c(ccc1Cl)OCC2 ZINC000361998753 268303547 /nfs/dbraw/zinc/30/35/47/268303547.db2.gz FUGJVIAZFUDBJK-UHFFFAOYSA-N 0 0 304.758 3.460 10 30 DGEERN N#Cc1ccsc1C(=O)Oc1cccc2c1CCCC(=O)N2 ZINC000376001245 268303696 /nfs/dbraw/zinc/30/36/96/268303696.db2.gz WYALWESLIYAMTF-UHFFFAOYSA-N 0 0 312.350 3.114 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1SC(F)F ZINC000183060974 432254475 /nfs/dbraw/zinc/25/44/75/432254475.db2.gz VNDZYFRIXALWLY-SECBINFHSA-N 0 0 302.346 3.060 10 30 DGEERN C=CCCCNC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000521185638 429540975 /nfs/dbraw/zinc/54/09/75/429540975.db2.gz PSBOLFSNJVHKRK-UHFFFAOYSA-N 0 0 320.393 3.356 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000330115017 276874440 /nfs/dbraw/zinc/87/44/40/276874440.db2.gz FIFFGYGPDPOJSP-IIAWOOMASA-N 0 0 314.385 3.023 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000278554099 276875484 /nfs/dbraw/zinc/87/54/84/276875484.db2.gz OTJXFBNMEBWVGI-IUODEOHRSA-N 0 0 304.346 3.131 10 30 DGEERN C=C1CCN([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000341997851 276878402 /nfs/dbraw/zinc/87/84/02/276878402.db2.gz IRCCWIDIFSIOAX-CQSZACIVSA-N 0 0 302.443 3.166 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000488493037 276915474 /nfs/dbraw/zinc/91/54/74/276915474.db2.gz GADZHRQUGGSPDD-OAHLLOKOSA-N 0 0 301.390 3.242 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2c1OCC[C@@H]2OC ZINC000344924268 277794102 /nfs/dbraw/zinc/79/41/02/277794102.db2.gz ICQMDFNGUZLZSH-BPUTZDHNSA-N 0 0 317.385 3.076 10 30 DGEERN C=C(C)C[C@@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)OC ZINC000601227771 430539699 /nfs/dbraw/zinc/53/96/99/430539699.db2.gz SDTUBHNYTAVPFB-GFCCVEGCSA-N 0 0 321.327 3.487 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)CCC1 ZINC000191342478 277824014 /nfs/dbraw/zinc/82/40/14/277824014.db2.gz IPGYCJDOYHNPAB-OAHLLOKOSA-N 0 0 301.434 3.447 10 30 DGEERN C=CC[C@@H]1N(c2nnc([C@H]3CCCO3)n2C)CCCC1(C)C ZINC000453437427 277884476 /nfs/dbraw/zinc/88/44/76/277884476.db2.gz BDECUWQVJVLTDU-KGLIPLIRSA-N 0 0 304.438 3.238 10 30 DGEERN C=CCn1c(N2CCCCC[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453442376 277893701 /nfs/dbraw/zinc/89/37/01/277893701.db2.gz PHLCVFIFHNXIEM-WMLDXEAASA-N 0 0 304.438 3.259 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000425561851 277904280 /nfs/dbraw/zinc/90/42/80/277904280.db2.gz DBQWOVYKQFINRA-OWLYRPNTSA-N 0 0 314.429 3.370 10 30 DGEERN C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000173294469 278077067 /nfs/dbraw/zinc/07/70/67/278077067.db2.gz OAMYZBPLGSUXEP-WDEREUQCSA-N 0 0 312.822 3.021 10 30 DGEERN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C#N)n1C ZINC000450062300 278387235 /nfs/dbraw/zinc/38/72/35/278387235.db2.gz TXYLLWGJJCOYHQ-GTNSWQLSSA-N 0 0 311.360 3.089 10 30 DGEERN CC(C)(CC1CCCCCC1)NS(=O)(=O)CC1(C#N)CC1 ZINC000188814978 278599415 /nfs/dbraw/zinc/59/94/15/278599415.db2.gz UCZWIQLCXPKUNN-UHFFFAOYSA-N 0 0 312.479 3.349 10 30 DGEERN Cc1nnccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000330167837 279242550 /nfs/dbraw/zinc/24/25/50/279242550.db2.gz ZLFYXFUYYWKHHN-AWEZNQCLSA-N 0 0 312.373 3.223 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)NCc2ccc(OCC#N)cc2)o1 ZINC000069277000 431174542 /nfs/dbraw/zinc/17/45/42/431174542.db2.gz KNVGQGXIMRPRFZ-ZDUSSCGKSA-N 0 0 313.357 3.051 10 30 DGEERN C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)CCCCC#N ZINC000109337833 431179051 /nfs/dbraw/zinc/17/90/51/431179051.db2.gz XFNWFTJZJNHFSZ-LBPRGKRZSA-N 0 0 314.838 3.356 10 30 DGEERN COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(N(C)C)cc1)O2 ZINC000000429858 431180552 /nfs/dbraw/zinc/18/05/52/431180552.db2.gz XOCPBICRQPQRCL-LICLKQGHSA-N 0 0 323.348 3.155 10 30 DGEERN C=CC1CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000110365984 431189442 /nfs/dbraw/zinc/18/94/42/431189442.db2.gz QPHLQEXIEPJQDY-HNNXBMFYSA-N 0 0 322.449 3.058 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1c(C)noc1CC ZINC000110427340 431190771 /nfs/dbraw/zinc/19/07/71/431190771.db2.gz USUJRQDYUCUWAX-UHFFFAOYSA-N 0 0 300.358 3.040 10 30 DGEERN Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C#N)C1CC1 ZINC000108831537 431156745 /nfs/dbraw/zinc/15/67/45/431156745.db2.gz XGLFJZICILLBSU-SNVBAGLBSA-N 0 0 303.412 3.212 10 30 DGEERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108834626 431157315 /nfs/dbraw/zinc/15/73/15/431157315.db2.gz ULKIQVXXVIYRBG-SDBXPKJASA-N 0 0 313.184 3.179 10 30 DGEERN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@H](C#N)C1CC1 ZINC000108836883 431158017 /nfs/dbraw/zinc/15/80/17/431158017.db2.gz UTLBPAMTYOBQMQ-CZUORRHYSA-N 0 0 300.402 3.304 10 30 DGEERN COc1cc(C(=O)N[C@H](C#N)C2CC2)ccc1OCCC(C)C ZINC000108843534 431160656 /nfs/dbraw/zinc/16/06/56/431160656.db2.gz PYDWWNDGHFAPMY-OAHLLOKOSA-N 0 0 316.401 3.152 10 30 DGEERN Fc1cccc(Cl)c1/C=N\N1CCN(c2ccccn2)CC1 ZINC000004506192 431301757 /nfs/dbraw/zinc/30/17/57/431301757.db2.gz HBNBNDIKLRUQQB-NDENLUEZSA-N 0 0 318.783 3.030 10 30 DGEERN Cc1ccc(C[C@H](Nc2nccnc2C#N)c2ccccn2)cc1 ZINC000071908984 431314722 /nfs/dbraw/zinc/31/47/22/431314722.db2.gz NWNUTNACBLJFDN-KRWDZBQOSA-N 0 0 315.380 3.448 10 30 DGEERN COC[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000113539733 431351251 /nfs/dbraw/zinc/35/12/51/431351251.db2.gz ITAYUBZONDBPCU-AWEZNQCLSA-N 0 0 315.417 3.378 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ccc(C(N)=O)cc1 ZINC000072993457 431360710 /nfs/dbraw/zinc/36/07/10/431360710.db2.gz CJOHMNHYWWZIIB-UHFFFAOYSA-N 0 0 312.325 3.001 10 30 DGEERN Cc1ccc(NC(=O)c2ccc(C#N)nc2)c(Br)c1 ZINC000115000013 431422611 /nfs/dbraw/zinc/42/26/11/431422611.db2.gz OZYBVXZCOFTELO-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN Cc1ccc(CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000007974689 431374844 /nfs/dbraw/zinc/37/48/44/431374844.db2.gz XMGXBMIJTALCKZ-UHFFFAOYSA-N 0 0 317.776 3.184 10 30 DGEERN N#CCOc1ccc(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000114434368 431386622 /nfs/dbraw/zinc/38/66/22/431386622.db2.gz MYCDBUQAWNHTNN-FQEVSTJZSA-N 0 0 324.424 3.480 10 30 DGEERN N#CCOc1ccc(CC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000114434370 431387133 /nfs/dbraw/zinc/38/71/33/431387133.db2.gz MYCDBUQAWNHTNN-HXUWFJFHSA-N 0 0 324.424 3.480 10 30 DGEERN Cc1noc(COc2ccc(Oc3ncccc3C#N)cc2)n1 ZINC000075094332 431450151 /nfs/dbraw/zinc/45/01/51/431450151.db2.gz ZHSIUCYJILFUAX-UHFFFAOYSA-N 0 0 308.297 3.016 10 30 DGEERN N#CCC[C@@H](C#N)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115740071 431473951 /nfs/dbraw/zinc/47/39/51/431473951.db2.gz AGQVJUXOMYFRKL-AWEZNQCLSA-N 0 0 301.365 3.112 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000075454574 431475326 /nfs/dbraw/zinc/47/53/26/431475326.db2.gz KUJIZVCUYUNFOK-CQSZACIVSA-N 0 0 306.406 3.070 10 30 DGEERN Cc1sc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000116809519 431528087 /nfs/dbraw/zinc/52/80/87/431528087.db2.gz WDHKMKVIPSIBJX-LKFCYVNXSA-N 0 0 307.375 3.167 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(CSc2nccn2C)o1 ZINC000076650381 431559374 /nfs/dbraw/zinc/55/93/74/431559374.db2.gz XQNADJNAKRZGLM-UHFFFAOYSA-N 0 0 319.430 3.344 10 30 DGEERN CC(C)[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1C#N ZINC000117195450 431551452 /nfs/dbraw/zinc/55/14/52/431551452.db2.gz FEFAHOXIKJAZHQ-HOCLYGCPSA-N 0 0 300.402 3.363 10 30 DGEERN C=CCCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000076486577 431552944 /nfs/dbraw/zinc/55/29/44/431552944.db2.gz DOVVHWGCTFKFSQ-UHFFFAOYSA-N 0 0 321.333 3.158 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000076854207 431565376 /nfs/dbraw/zinc/56/53/76/431565376.db2.gz DAQOYKOOJPFZAV-UHFFFAOYSA-N 0 0 304.415 3.130 10 30 DGEERN C[C@]1(CNC(=O)[C@@H]2CCN2Cc2ccccc2)CCCC[C@H]1O ZINC000330025790 280152886 /nfs/dbraw/zinc/15/28/86/280152886.db2.gz KUUNYETWEFUYJR-YQVWRLOYSA-N 0 0 316.445 3.159 10 30 DGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000117776301 431576828 /nfs/dbraw/zinc/57/68/28/431576828.db2.gz LKGSICAXZBCPRB-SUMWQHHRSA-N 0 0 310.353 3.087 10 30 DGEERN CCc1cccc2c(CC(=O)Nc3ccn(CCC#N)n3)c[nH]c21 ZINC000117714770 431577463 /nfs/dbraw/zinc/57/74/63/431577463.db2.gz JDRCMFDDDUQRNY-UHFFFAOYSA-N 0 0 321.384 3.022 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(OCCCC)c1 ZINC000077861828 431625760 /nfs/dbraw/zinc/62/57/60/431625760.db2.gz LGCRDOFHFGYRFE-UHFFFAOYSA-N 0 0 318.417 3.229 10 30 DGEERN COc1ccc2nc(C(=O)N(CC#N)C3CCCC3)ccc2c1 ZINC000078207901 431647657 /nfs/dbraw/zinc/64/76/57/431647657.db2.gz BSSSSYNXZLRIOX-UHFFFAOYSA-N 0 0 309.369 3.152 10 30 DGEERN COCC(=O)O[C@H]1C#CCCCCC#C/C1=C\c1ccccc1 ZINC000027877573 431695638 /nfs/dbraw/zinc/69/56/38/431695638.db2.gz XTRDOKQHVIOOCU-DGDHUYAWSA-N 0 0 308.377 3.209 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3ccc(F)c(C#N)c3)CCO2)n1 ZINC000119481073 431698489 /nfs/dbraw/zinc/69/84/89/431698489.db2.gz JXDMGIBIVLYFOV-HNNXBMFYSA-N 0 0 317.389 3.036 10 30 DGEERN N#Cc1cc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)ccc1F ZINC000078728316 431701581 /nfs/dbraw/zinc/70/15/81/431701581.db2.gz CAGWGTCAEQEPJM-UHFFFAOYSA-N 0 0 324.290 3.479 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1nc2ccccc2o1 ZINC000119544659 431703908 /nfs/dbraw/zinc/70/39/08/431703908.db2.gz CCFXOERCEQHANC-GFCCVEGCSA-N 0 0 321.336 3.130 10 30 DGEERN COc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000030109625 431733545 /nfs/dbraw/zinc/73/35/45/431733545.db2.gz PICPBNZWOCUPTB-LLVKDONJSA-N 0 0 314.316 3.112 10 30 DGEERN C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)C1CCOCC1 ZINC000120899786 431736160 /nfs/dbraw/zinc/73/61/60/431736160.db2.gz NQBRIURNSXWOEU-AWEZNQCLSA-N 0 0 316.401 3.370 10 30 DGEERN N#C[C@@H](NC(=O)CCCc1ccccc1Br)C1CC1 ZINC000121166061 431750435 /nfs/dbraw/zinc/75/04/35/431750435.db2.gz RTTRDXZJPNNYKS-CQSZACIVSA-N 0 0 321.218 3.190 10 30 DGEERN CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1cc(F)ccc1F ZINC000081548103 431792519 /nfs/dbraw/zinc/79/25/19/431792519.db2.gz OPWCZEORRXIJIF-CQSZACIVSA-N 0 0 303.312 3.056 10 30 DGEERN CC[C@H](NC(=O)c1cc(C#N)cn1C)c1cc(F)ccc1F ZINC000081548102 431792809 /nfs/dbraw/zinc/79/28/09/431792809.db2.gz OPWCZEORRXIJIF-AWEZNQCLSA-N 0 0 303.312 3.056 10 30 DGEERN Cc1csc([C@@H](C#N)C(=O)Nc2nc3ccccc3s2)n1 ZINC000121950764 431807616 /nfs/dbraw/zinc/80/76/16/431807616.db2.gz JPELBAABGJMDMC-VIFPVBQESA-N 0 0 314.395 3.307 10 30 DGEERN N#CC1(NC(=O)CCC(=O)c2ccc(Cl)cc2)CCCC1 ZINC000121948569 431808617 /nfs/dbraw/zinc/80/86/17/431808617.db2.gz NZPHZGNBVGBOQJ-UHFFFAOYSA-N 0 0 304.777 3.255 10 30 DGEERN CN(C)/C=C\C(=O)c1ccc(-n2cnc(Cl)c2Cl)cc1 ZINC000033374262 431812848 /nfs/dbraw/zinc/81/28/48/431812848.db2.gz LSSUOISHHWILRK-FPLPWBNLSA-N 0 0 310.184 3.437 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 ZINC000084109487 431816131 /nfs/dbraw/zinc/81/61/31/431816131.db2.gz ALBJQKJOCNSFCZ-SWLSCSKDSA-N 0 0 312.394 3.222 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000080974821 431777823 /nfs/dbraw/zinc/77/78/23/431777823.db2.gz ZJKXPFRNJMPIQA-CYBMUJFWSA-N 0 0 315.373 3.003 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000080985742 431778935 /nfs/dbraw/zinc/77/89/35/431778935.db2.gz LEXHONMUKQNZHW-UHFFFAOYSA-N 0 0 316.364 3.139 10 30 DGEERN CC(=C\c1ccccc1)/C=N\N1CCN(c2ccccn2)CC1 ZINC000038191347 431855092 /nfs/dbraw/zinc/85/50/92/431855092.db2.gz FDTHOQYEJBUJJE-AMQBKCJUSA-N 0 0 306.413 3.293 10 30 DGEERN Cc1c(Br)cccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000088441073 431857948 /nfs/dbraw/zinc/85/79/48/431857948.db2.gz YFZIREYRSQJWOZ-ZWNOBZJWSA-N 0 0 307.191 3.180 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000123667614 431871471 /nfs/dbraw/zinc/87/14/71/431871471.db2.gz GMRBLELUKUDQPP-WBVHZDCISA-N 0 0 317.429 3.210 10 30 DGEERN COc1ccc(OCc2ccc(OC)c(C#N)c2)c([N+](=O)[O-])c1 ZINC000125034937 431912219 /nfs/dbraw/zinc/91/22/19/431912219.db2.gz JWXNDILTNPAQKT-UHFFFAOYSA-N 0 0 314.297 3.063 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000125329991 431921829 /nfs/dbraw/zinc/92/18/29/431921829.db2.gz KDYPKZHMIPCYCO-LBPRGKRZSA-N 0 0 312.394 3.320 10 30 DGEERN Cc1ccc(OCc2nc(Cn3ccnc3C#N)cs2)cc1 ZINC000123972230 431879744 /nfs/dbraw/zinc/87/97/44/431879744.db2.gz KPRIWCLOTRGDFV-UHFFFAOYSA-N 0 0 310.382 3.147 10 30 DGEERN Cn1ncnc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000091184530 431903125 /nfs/dbraw/zinc/90/31/25/431903125.db2.gz MOTXFKZEMXHGIA-OAHLLOKOSA-N 0 0 324.388 3.069 10 30 DGEERN Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2(C#N)CCCC2)c1 ZINC000124825199 431905905 /nfs/dbraw/zinc/90/59/05/431905905.db2.gz IJGCAZBACKBCCF-GFCCVEGCSA-N 0 0 306.793 3.368 10 30 DGEERN C=CCOc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000091979073 431905964 /nfs/dbraw/zinc/90/59/64/431905964.db2.gz HLLYLBQRORKWSS-IRXDYDNUSA-N 0 0 317.429 3.403 10 30 DGEERN CC(C)(C)OC(=O)N1CCCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000097758767 431974477 /nfs/dbraw/zinc/97/44/77/431974477.db2.gz DPIIMUKQPYCKFQ-INIZCTEOSA-N 0 0 315.417 3.022 10 30 DGEERN CCN(C(=O)c1cnn2c1CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000126168722 431943282 /nfs/dbraw/zinc/94/32/82/431943282.db2.gz YNDXBQPMZZKIOK-AWEZNQCLSA-N 0 0 322.412 3.314 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)COc1ccccc1 ZINC000126154502 431944036 /nfs/dbraw/zinc/94/40/36/431944036.db2.gz JQSQAJLXZJHMII-GFCCVEGCSA-N 0 0 301.308 3.278 10 30 DGEERN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2C#N)c(C)n1 ZINC000097214188 431965048 /nfs/dbraw/zinc/96/50/48/431965048.db2.gz TWHPIBYSLBBANK-AWEZNQCLSA-N 0 0 309.369 3.285 10 30 DGEERN N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000151803634 432278835 /nfs/dbraw/zinc/27/88/35/432278835.db2.gz NRLYJQPFCCMPSO-JKSUJKDBSA-N 0 0 320.348 3.072 10 30 DGEERN COc1ccc(C#N)cc1CNc1cc(CO)ccc1Cl ZINC000151921346 432289210 /nfs/dbraw/zinc/28/92/10/432289210.db2.gz JDPCACRXIFTQKQ-UHFFFAOYSA-N 0 0 302.761 3.325 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000248551438 432299727 /nfs/dbraw/zinc/29/97/27/432299727.db2.gz GTXUCSZAAXOZJU-RAEVTNRLSA-N 0 0 322.836 3.273 10 30 DGEERN COc1c(C)cnc(CN(C)Cc2cc(C#N)cs2)c1C ZINC000183780592 432325738 /nfs/dbraw/zinc/32/57/38/432325738.db2.gz DIHICFRFIJSGGU-UHFFFAOYSA-N 0 0 301.415 3.272 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000174223681 432329715 /nfs/dbraw/zinc/32/97/15/432329715.db2.gz URKNMXNMWDQSQN-UONOGXRCSA-N 0 0 322.424 3.298 10 30 DGEERN N#Cc1ccc(CNCc2cc(F)cc(Br)c2)o1 ZINC000174295519 432335380 /nfs/dbraw/zinc/33/53/80/432335380.db2.gz BCLXZVILLVRIIJ-UHFFFAOYSA-N 0 0 309.138 3.343 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000249049365 432336340 /nfs/dbraw/zinc/33/63/40/432336340.db2.gz IGVLJJHMWYKPLS-IHRRRGAJSA-N 0 0 300.402 3.266 10 30 DGEERN N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1C#N ZINC000152586140 432342033 /nfs/dbraw/zinc/34/20/33/432342033.db2.gz RHDXUOSQDBPKGB-UHFFFAOYSA-N 0 0 305.312 3.239 10 30 DGEERN N#Cc1ccc(F)c(CNC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000174425228 432347687 /nfs/dbraw/zinc/34/76/87/432347687.db2.gz KRDPTHUCHYCZQG-AWEZNQCLSA-N 0 0 324.355 3.270 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CCC1 ZINC000191817013 432305249 /nfs/dbraw/zinc/30/52/49/432305249.db2.gz CZXIJNMRLQWBOI-INIZCTEOSA-N 0 0 312.413 3.045 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2ccc(Cl)s2)cc1 ZINC000173897759 432306056 /nfs/dbraw/zinc/30/60/56/432306056.db2.gz KBSSVAATYVRXLT-UHFFFAOYSA-N 0 0 306.774 3.082 10 30 DGEERN C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173908604 432306290 /nfs/dbraw/zinc/30/62/90/432306290.db2.gz PRVBHHPYDUOAIU-HNNXBMFYSA-N 0 0 308.381 3.247 10 30 DGEERN N#Cc1cccnc1-n1cc(NC(=O)C2CCCCCCC2)cn1 ZINC000183648350 432312562 /nfs/dbraw/zinc/31/25/62/432312562.db2.gz CMPYVFKZUPFOGW-UHFFFAOYSA-N 0 0 323.400 3.438 10 30 DGEERN C=CCN(C(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000271436093 432396138 /nfs/dbraw/zinc/39/61/38/432396138.db2.gz BYFMWCGKLHYZLL-UHFFFAOYSA-N 0 0 320.190 3.116 10 30 DGEERN Cc1cccc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)c1 ZINC000254522227 432402832 /nfs/dbraw/zinc/40/28/32/432402832.db2.gz RGNXKSGZWCXNRR-UHFFFAOYSA-N 0 0 322.368 3.002 10 30 DGEERN S=C1N=NCN1N=Cc1ccc(Cc2ccccc2)s1 ZINC000254617928 432403385 /nfs/dbraw/zinc/40/33/85/432403385.db2.gz YFWXNSBUEXYXLT-UHFFFAOYSA-N 0 0 300.412 3.101 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175168892 432405839 /nfs/dbraw/zinc/40/58/39/432405839.db2.gz WAZFSNUMLWFKBW-ZDUSSCGKSA-N 0 0 321.421 3.060 10 30 DGEERN C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000153647682 432428183 /nfs/dbraw/zinc/42/81/83/432428183.db2.gz PNIXJSFJARNMHD-QMTHXVAHSA-N 0 0 321.218 3.046 10 30 DGEERN CCCCCCCC(=O)NCc1cccnc1-n1ccnc1 ZINC000192952175 432432751 /nfs/dbraw/zinc/43/27/51/432432751.db2.gz TYDLGBJNKNRETD-UHFFFAOYSA-N 0 0 300.406 3.244 10 30 DGEERN C=CCOc1ccc(CN2CCC[C@@H](NC(C)=O)C2)cc1Cl ZINC000153825123 432447201 /nfs/dbraw/zinc/44/72/01/432447201.db2.gz BNLRCTWGMYKLJB-OAHLLOKOSA-N 0 0 322.836 3.005 10 30 DGEERN CC(C)Cc1nnc(NCc2c(F)cc(C#N)cc2F)s1 ZINC000192747483 432408429 /nfs/dbraw/zinc/40/84/29/432408429.db2.gz RJMJVFKVXPXHPN-UHFFFAOYSA-N 0 0 308.357 3.499 10 30 DGEERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccccc2C#N)s1 ZINC000175245026 432415412 /nfs/dbraw/zinc/41/54/12/432415412.db2.gz MSPGAVJNYNZLDB-JTQLQIEISA-N 0 0 301.371 3.283 10 30 DGEERN N#CCc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000192837557 432420223 /nfs/dbraw/zinc/42/02/23/432420223.db2.gz OSVKQPBZHUPXOG-INIZCTEOSA-N 0 0 307.353 3.398 10 30 DGEERN C=CCN(CC=C)S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000153608181 432424632 /nfs/dbraw/zinc/42/46/32/432424632.db2.gz SWROFWKVGWHVCC-UHFFFAOYSA-N 0 0 303.786 3.150 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000185571008 432512311 /nfs/dbraw/zinc/51/23/11/432512311.db2.gz AYCPBGFHGCBFLB-SJLPKXTDSA-N 0 0 300.446 3.370 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000272285944 432475030 /nfs/dbraw/zinc/47/50/30/432475030.db2.gz IYYYZHOPSQXLFY-UHFFFAOYSA-N 0 0 324.428 3.476 10 30 DGEERN CC1(C)CN(C(=O)c2ccnc(C#N)c2)c2ccccc2S1 ZINC000193674251 432490552 /nfs/dbraw/zinc/49/05/52/432490552.db2.gz LMPYOEMRLFXQIV-UHFFFAOYSA-N 0 0 309.394 3.484 10 30 DGEERN N#Cc1ccc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000193701746 432492283 /nfs/dbraw/zinc/49/22/83/432492283.db2.gz JILGASNYLCYYHZ-CQSZACIVSA-N 0 0 310.319 3.292 10 30 DGEERN C=CCC[C@@H](NC(=O)COCc1cc(C)no1)c1ccccc1 ZINC000193793394 432499036 /nfs/dbraw/zinc/49/90/36/432499036.db2.gz VBNDHLISSBFXLK-QGZVFWFLSA-N 0 0 314.385 3.323 10 30 DGEERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193825034 432501364 /nfs/dbraw/zinc/50/13/64/432501364.db2.gz RPWJHHMSTBMYOY-ACJLOTCBSA-N 0 0 305.381 3.397 10 30 DGEERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193825003 432501406 /nfs/dbraw/zinc/50/14/06/432501406.db2.gz RPWJHHMSTBMYOY-FZKQIMNGSA-N 0 0 305.381 3.397 10 30 DGEERN CCC[C@H](CCc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193343614 432466293 /nfs/dbraw/zinc/46/62/93/432466293.db2.gz VUGNCFWWSAWKID-QGZVFWFLSA-N 0 0 307.397 3.485 10 30 DGEERN CC#CCCCC(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC000185960715 432548871 /nfs/dbraw/zinc/54/88/71/432548871.db2.gz LZXMUMJZURWYDT-KRWDZBQOSA-N 0 0 315.413 3.299 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CCCC)c1ccc(OC)cc1 ZINC000185959008 432549306 /nfs/dbraw/zinc/54/93/06/432549306.db2.gz XGZYYKOCDFRVAJ-NVXWUHKLSA-N 0 0 320.433 3.163 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(OCCOC)cc1Cl ZINC000185965965 432549814 /nfs/dbraw/zinc/54/98/14/432549814.db2.gz XRIYMBVYNNOCMG-UHFFFAOYSA-N 0 0 311.809 3.403 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)ccc1O ZINC000186010584 432553214 /nfs/dbraw/zinc/55/32/14/432553214.db2.gz JHENNMOLSROXBO-LLVKDONJSA-N 0 0 323.331 3.157 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC(=O)OCC)cc1 ZINC000186141558 432561997 /nfs/dbraw/zinc/56/19/97/432561997.db2.gz RSGDNEMIEBPJIX-ZDUSSCGKSA-N 0 0 305.374 3.169 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3cccs3)C2)c1 ZINC000273187311 432562278 /nfs/dbraw/zinc/56/22/78/432562278.db2.gz BZINNASHXYHCHY-MRXNPFEDSA-N 0 0 312.394 3.400 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC000186136351 432562209 /nfs/dbraw/zinc/56/22/09/432562209.db2.gz SMIWCTFMNZNJSQ-HNNXBMFYSA-N 0 0 302.418 3.372 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000272564700 432524898 /nfs/dbraw/zinc/52/48/98/432524898.db2.gz KDMDGSSLQGZCCL-GDBMZVCRSA-N 0 0 315.417 3.128 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000185805856 432535353 /nfs/dbraw/zinc/53/53/53/432535353.db2.gz VLHKFNMGHNUNMM-WMZOPIPTSA-N 0 0 301.430 3.449 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000155027861 432535813 /nfs/dbraw/zinc/53/58/13/432535813.db2.gz ZJZBHKHGZURUIN-UHFFFAOYSA-N 0 0 317.437 3.143 10 30 DGEERN CCOc1ccc(C#N)cc1NCC(=O)Nc1cccc(C)c1 ZINC000194357329 432544463 /nfs/dbraw/zinc/54/44/63/432544463.db2.gz DDGHPEKSHXDWNS-UHFFFAOYSA-N 0 0 309.369 3.316 10 30 DGEERN CC1(C)CCCC[C@H]1C(=O)NCCOc1ccc(C#N)cc1 ZINC000194360804 432545136 /nfs/dbraw/zinc/54/51/36/432545136.db2.gz PMLWFFVDUFRGDH-INIZCTEOSA-N 0 0 300.402 3.270 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCCCOC)c1 ZINC000185922909 432546617 /nfs/dbraw/zinc/54/66/17/432546617.db2.gz MOQRMYPCGYXCGG-OAHLLOKOSA-N 0 0 305.418 3.320 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000273542565 432609969 /nfs/dbraw/zinc/60/99/69/432609969.db2.gz UBXQRQDSOVGAKJ-BDVYOWHSSA-N 0 0 320.408 3.088 10 30 DGEERN C=CC[C@@H](C(=O)N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000186580714 432611243 /nfs/dbraw/zinc/61/12/43/432611243.db2.gz DYFRRWQXXOSFOK-GOEBONIOSA-N 0 0 324.428 3.152 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195275552 432615618 /nfs/dbraw/zinc/61/56/18/432615618.db2.gz DMDHGNSMSVLRCD-CQSZACIVSA-N 0 0 306.454 3.193 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000176952499 432568991 /nfs/dbraw/zinc/56/89/91/432568991.db2.gz YNCUCAFFDCIWPV-LBPRGKRZSA-N 0 0 306.793 3.380 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000155704447 432570078 /nfs/dbraw/zinc/57/00/78/432570078.db2.gz CWIBENJXCQVWAK-LBPRGKRZSA-N 0 0 321.336 3.366 10 30 DGEERN Cn1c2ccc(Cl)cc2nc1NC(=O)Cc1ccc(C#N)cc1 ZINC000194762291 432575571 /nfs/dbraw/zinc/57/55/71/432575571.db2.gz WFRSFZJEUXXTKC-UHFFFAOYSA-N 0 0 324.771 3.280 10 30 DGEERN C=CCn1c(SCc2cnc3ccccn23)nnc1C1CC1 ZINC000155880599 432578141 /nfs/dbraw/zinc/57/81/41/432578141.db2.gz AVLMTKCZKHVHGX-UHFFFAOYSA-N 0 0 311.414 3.282 10 30 DGEERN Clc1ccc(C#CCN2CCO[C@H](c3nccs3)C2)cc1 ZINC000177095561 432584747 /nfs/dbraw/zinc/58/47/47/432584747.db2.gz BMXALZDSPRNTNH-HNNXBMFYSA-N 0 0 318.829 3.222 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC000186357394 432586809 /nfs/dbraw/zinc/58/68/09/432586809.db2.gz IZNTYXASGOJIEA-HOCLYGCPSA-N 0 0 320.433 3.019 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186370385 432587851 /nfs/dbraw/zinc/58/78/51/432587851.db2.gz SKRCFJGIANBIML-VIFPVBQESA-N 0 0 307.699 3.026 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186420259 432592534 /nfs/dbraw/zinc/59/25/34/432592534.db2.gz QWMAKKCNTAQSIH-ZDUSSCGKSA-N 0 0 323.383 3.377 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000186940595 432638140 /nfs/dbraw/zinc/63/81/40/432638140.db2.gz ANLFTZPINOWBQJ-AWEZNQCLSA-N 0 0 313.401 3.481 10 30 DGEERN CCCC1(CNC(=O)[C@@H](C)Oc2ccccc2C#N)CCC1 ZINC000157331712 432618876 /nfs/dbraw/zinc/61/88/76/432618876.db2.gz DXSCSCCYYNMFKI-CQSZACIVSA-N 0 0 300.402 3.412 10 30 DGEERN CC1(C)CC[C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)O1 ZINC000187243958 432653754 /nfs/dbraw/zinc/65/37/54/432653754.db2.gz UWDREBROAMPFQH-JKSUJKDBSA-N 0 0 315.417 3.288 10 30 DGEERN COc1ccc(N(C(=O)c2cc(C#N)c[nH]2)[C@@H](C)C2CC2)cc1 ZINC000177790088 432661810 /nfs/dbraw/zinc/66/18/10/432661810.db2.gz RFMXWEAGSKSGCT-LBPRGKRZSA-N 0 0 309.369 3.340 10 30 DGEERN Cc1nc2ccc(NCc3cnc4ccc(C#N)cn34)cc2o1 ZINC000159020134 432666473 /nfs/dbraw/zinc/66/64/73/432666473.db2.gz CLUJKNBENACATO-UHFFFAOYSA-N 0 0 303.325 3.268 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](CC)NC(=O)[C@@H](C)CC(=C)C ZINC000274435283 432667448 /nfs/dbraw/zinc/66/74/48/432667448.db2.gz IQSQDSNBJXAENQ-HRCADAONSA-N 0 0 308.466 3.202 10 30 DGEERN COc1cnccc1[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000187512248 432667971 /nfs/dbraw/zinc/66/79/71/432667971.db2.gz HUIUDKRMVXJQMV-GFCCVEGCSA-N 0 0 310.357 3.039 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000188052697 432700866 /nfs/dbraw/zinc/70/08/66/432700866.db2.gz XOXCXSLEMKGBOO-ACJLOTCBSA-N 0 0 321.417 3.110 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000188065810 432702053 /nfs/dbraw/zinc/70/20/53/432702053.db2.gz KLZGXXDUKWEWML-GOSISDBHSA-N 0 0 305.418 3.061 10 30 DGEERN C=CCCCN(C)C(=O)COc1ccc(CCC(C)=O)cc1 ZINC000265479098 432704034 /nfs/dbraw/zinc/70/40/34/432704034.db2.gz DNZJTTXCEQSXHZ-UHFFFAOYSA-N 0 0 303.402 3.012 10 30 DGEERN C=CCCCN(C)C(=O)NCCCOc1ccc(OC)cc1 ZINC000265506277 432706820 /nfs/dbraw/zinc/70/68/20/432706820.db2.gz DWIMFMUWXKKLJB-UHFFFAOYSA-N 0 0 306.406 3.072 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2ccccc2C)CCOCC1 ZINC000265551107 432709194 /nfs/dbraw/zinc/70/91/94/432709194.db2.gz WGTRICCJMLQKBT-UHFFFAOYSA-N 0 0 301.430 3.468 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cn2ccnc2s1 ZINC000188272681 432715001 /nfs/dbraw/zinc/71/50/01/432715001.db2.gz JKJKNIKFQTVQLZ-UHFFFAOYSA-N 0 0 324.409 3.320 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000188290844 432715439 /nfs/dbraw/zinc/71/54/39/432715439.db2.gz CMFBMTNYOOTCMR-GXSJLCMTSA-N 0 0 317.216 3.291 10 30 DGEERN CCCCCCCCCCCCC(=O)N[C@H](O)C(=O)OCC ZINC000224191854 432682082 /nfs/dbraw/zinc/68/20/82/432682082.db2.gz ZDZJXNMZYZBPSM-MRXNPFEDSA-N 0 0 315.454 3.295 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1n[nH]c(CC)c1Br ZINC000274590312 432685645 /nfs/dbraw/zinc/68/56/45/432685645.db2.gz JTUUJXTYFKSKSD-MRVPVSSYSA-N 0 0 300.200 3.275 10 30 DGEERN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000159571017 432687978 /nfs/dbraw/zinc/68/79/78/432687978.db2.gz YXXHIGFTYDDOKF-YGRLFVJLSA-N 0 0 310.319 3.302 10 30 DGEERN Cc1n[nH]c2cc(NC(=O)C3(c4ccc(C#N)cc4)CC3)ccc12 ZINC000188988138 432756806 /nfs/dbraw/zinc/75/68/06/432756806.db2.gz LNLJTLAOXFYDAH-UHFFFAOYSA-N 0 0 316.364 3.413 10 30 DGEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([C@H](C)O)CC1 ZINC000266365755 432757660 /nfs/dbraw/zinc/75/76/60/432757660.db2.gz LDJYWXYNIQOCJS-LBPRGKRZSA-N 0 0 313.376 3.151 10 30 DGEERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000189013910 432758572 /nfs/dbraw/zinc/75/85/72/432758572.db2.gz TYGROOGXYCFIFG-CZUORRHYSA-N 0 0 302.374 3.123 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000178672014 432764943 /nfs/dbraw/zinc/76/49/43/432764943.db2.gz CNFBZUGMBVRNBA-AWEZNQCLSA-N 0 0 311.410 3.343 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000178672026 432765214 /nfs/dbraw/zinc/76/52/14/432765214.db2.gz CNFBZUGMBVRNBA-CQSZACIVSA-N 0 0 311.410 3.343 10 30 DGEERN CCC[C@H](NC(=O)C1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000161305164 432771205 /nfs/dbraw/zinc/77/12/05/432771205.db2.gz JAQRTBMRXMMFQO-ZDUSSCGKSA-N 0 0 308.422 3.087 10 30 DGEERN C=CC[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000188596831 432733726 /nfs/dbraw/zinc/73/37/26/432733726.db2.gz AIFAORKKVGJUOB-RBUKOAKNSA-N 0 0 322.408 3.421 10 30 DGEERN C[C@@H](C#N)CN(C)c1ncc(Br)cc1C(F)(F)F ZINC000235492094 432744178 /nfs/dbraw/zinc/74/41/78/432744178.db2.gz PSLJXXYMURUSDC-ZETCQYMHSA-N 0 0 322.128 3.459 10 30 DGEERN COc1ccc(CSc2nnc(NC3CC3)s2)cc1C#N ZINC000162257593 432818389 /nfs/dbraw/zinc/81/83/89/432818389.db2.gz BQDVYLGJCYJNIQ-UHFFFAOYSA-N 0 0 318.427 3.285 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C[C@H](C)CS(C)(=O)=O ZINC000162532791 432826533 /nfs/dbraw/zinc/82/65/33/432826533.db2.gz WOBODHWGLDBHTJ-NSHDSACASA-N 0 0 321.895 3.070 10 30 DGEERN C=CCCCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000267287041 432829675 /nfs/dbraw/zinc/82/96/75/432829675.db2.gz XQGDIGQKPLJMGM-CYBMUJFWSA-N 0 0 307.191 3.486 10 30 DGEERN COc1ccc(Cn2c3ccc(Cl)cc3oc2=O)cc1C#N ZINC000162752382 432833937 /nfs/dbraw/zinc/83/39/37/432833937.db2.gz BFNVHRDWXNGGRG-UHFFFAOYSA-N 0 0 314.728 3.176 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162771718 432835008 /nfs/dbraw/zinc/83/50/08/432835008.db2.gz OPHWIIQYDRWEQI-JOYOIKCWSA-N 0 0 324.178 3.139 10 30 DGEERN C=CCCOCCNc1cc(-c2nc(C(C)C)no2)ccn1 ZINC000161507608 432783251 /nfs/dbraw/zinc/78/32/51/432783251.db2.gz HBWDTMBYFQVKHU-UHFFFAOYSA-N 0 0 302.378 3.260 10 30 DGEERN C=CCN(C(=O)C(=O)Nc1csc2ccccc12)C1CC1 ZINC000276224437 432786611 /nfs/dbraw/zinc/78/66/11/432786611.db2.gz XGGVQSYSVMJFIB-UHFFFAOYSA-N 0 0 300.383 3.017 10 30 DGEERN COc1ccc(CSCc2nc(C3CC3)no2)cc1C#N ZINC000161649310 432789405 /nfs/dbraw/zinc/78/94/05/432789405.db2.gz UBQZMUBREWNLGG-UHFFFAOYSA-N 0 0 301.371 3.261 10 30 DGEERN N#Cc1ccc(Cl)cc1OCC(=O)Nc1ccccc1F ZINC000161664963 432791600 /nfs/dbraw/zinc/79/16/00/432791600.db2.gz WZXXYUHHNTYZDL-UHFFFAOYSA-N 0 0 304.708 3.368 10 30 DGEERN C=CCN(C)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000161774943 432796348 /nfs/dbraw/zinc/79/63/48/432796348.db2.gz VPRCEFBFBKVRHH-UHFFFAOYSA-N 0 0 324.409 3.254 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC=C ZINC000276378738 432802891 /nfs/dbraw/zinc/80/28/91/432802891.db2.gz AJWXYBATTDZRBM-UHFFFAOYSA-N 0 0 300.402 3.121 10 30 DGEERN C[C@@H]1CC[C@@H](C)N(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000162178510 432814061 /nfs/dbraw/zinc/81/40/61/432814061.db2.gz RMFQHRGACIPCJF-ZIAGYGMSSA-N 0 0 300.402 3.363 10 30 DGEERN Cc1ccc(C#N)c(N2CCO[C@@H](c3ccc(F)c(C)c3)C2)n1 ZINC000162193386 432815324 /nfs/dbraw/zinc/81/53/24/432815324.db2.gz KAIQYIWHIJXVOE-QGZVFWFLSA-N 0 0 311.360 3.287 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000277604912 432863721 /nfs/dbraw/zinc/86/37/21/432863721.db2.gz HIGDRFJYLUFMEH-UHFFFAOYSA-N 0 0 312.800 3.143 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000330151406 432895667 /nfs/dbraw/zinc/89/56/67/432895667.db2.gz WEKVTGXECJRJLC-MLGOLLRUSA-N 0 0 304.390 3.050 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 ZINC000277787099 432875955 /nfs/dbraw/zinc/87/59/55/432875955.db2.gz WZORSLQIWJGQRR-LYRGGWFBSA-N 0 0 324.371 3.306 10 30 DGEERN C=CCCCN(C)C(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000296185586 432881899 /nfs/dbraw/zinc/88/18/99/432881899.db2.gz MITYFMQNQKPUCU-UHFFFAOYSA-N 0 0 318.808 3.174 10 30 DGEERN C=C(CNC(=O)N(CC)CCc1nccs1)c1ccccc1 ZINC000288093607 432885941 /nfs/dbraw/zinc/88/59/41/432885941.db2.gz TWQQBYQZWMUOEF-UHFFFAOYSA-N 0 0 315.442 3.431 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(O)cc1 ZINC000288126805 432888218 /nfs/dbraw/zinc/88/82/18/432888218.db2.gz KLTGYJUTUDJXHO-SFHVURJKSA-N 0 0 322.408 3.168 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000288268291 432890943 /nfs/dbraw/zinc/89/09/43/432890943.db2.gz CGRZADQUWUDFBN-MAUKXSAKSA-N 0 0 322.408 3.387 10 30 DGEERN O=C(NCc1ccc(C2CC2)cc1)N[C@H]1CCC[C@H]1CCO ZINC000330052565 432891003 /nfs/dbraw/zinc/89/10/03/432891003.db2.gz PFVFDYSLABNYFN-IRXDYDNUSA-N 0 0 302.418 3.119 10 30 DGEERN C=CC[C@@H]1N(C(=O)[C@@H]2CCCc3n[nH]cc32)CCCC1(C)C ZINC000278387580 432893608 /nfs/dbraw/zinc/89/36/08/432893608.db2.gz JPSDZHNAMSVRJQ-CJNGLKHVSA-N 0 0 301.434 3.423 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000277343099 432840476 /nfs/dbraw/zinc/84/04/76/432840476.db2.gz DQHRUCKQFQIUFB-CQSZACIVSA-N 0 0 301.817 3.392 10 30 DGEERN CCCc1cnc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 ZINC000330151717 432894967 /nfs/dbraw/zinc/89/49/67/432894967.db2.gz WHPFFYAIAYBANB-DGCLKSJQSA-N 0 0 320.418 3.195 10 30 DGEERN C#Cc1ccc(CNC(=O)NCc2nc(C(C)C)cs2)cc1 ZINC000296641217 432924418 /nfs/dbraw/zinc/92/44/18/432924418.db2.gz ZSNMPIVVXGGAFG-UHFFFAOYSA-N 0 0 313.426 3.247 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(C2CC2)n1 ZINC000296736233 432926106 /nfs/dbraw/zinc/92/61/06/432926106.db2.gz COPZXZZTBCSKNS-XJKSGUPXSA-N 0 0 301.390 3.062 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296820095 432927889 /nfs/dbraw/zinc/92/78/89/432927889.db2.gz PVBVHBUMWQDCTJ-UHFFFAOYSA-N 0 0 309.435 3.467 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2cccc(N3CCNC3=O)c2)no1 ZINC000289181044 432930736 /nfs/dbraw/zinc/93/07/36/432930736.db2.gz PNVSVAXJKMEVJW-LBPRGKRZSA-N 0 0 312.373 3.336 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000296853951 432931693 /nfs/dbraw/zinc/93/16/93/432931693.db2.gz LPFOSPQPFHRLFF-SFHVURJKSA-N 0 0 319.408 3.356 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000296882457 432934149 /nfs/dbraw/zinc/93/41/49/432934149.db2.gz NGMLGQWGOXFHOH-GOSISDBHSA-N 0 0 319.408 3.356 10 30 DGEERN C=CCN(C(=O)N[C@H](c1nccs1)C(F)(F)F)C1CC1 ZINC000297028455 432950547 /nfs/dbraw/zinc/95/05/47/432950547.db2.gz QXWBHHXKDBKYNP-SECBINFHSA-N 0 0 305.325 3.107 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000296935314 432940490 /nfs/dbraw/zinc/94/04/90/432940490.db2.gz QJGJULPJRQHVDC-CQSZACIVSA-N 0 0 310.319 3.152 10 30 DGEERN C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273579 432901898 /nfs/dbraw/zinc/90/18/98/432901898.db2.gz ZKHGQQPVASDMMY-DYQSUWPFSA-N 0 0 310.344 3.098 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1csc(C(C)(C)C)n1 ZINC000278800447 432903206 /nfs/dbraw/zinc/90/32/06/432903206.db2.gz NPGXSRYQTGSGBQ-CHWSQXEVSA-N 0 0 309.431 3.465 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccc(OCCCOC)cc1 ZINC000288979902 432910108 /nfs/dbraw/zinc/91/01/08/432910108.db2.gz GFYGQEXELHVPHV-HNNXBMFYSA-N 0 0 305.418 3.320 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)NCc2ccc(C)cc2)no1 ZINC000289026282 432914474 /nfs/dbraw/zinc/91/44/74/432914474.db2.gz IYENJDJUUIXPEI-AWEZNQCLSA-N 0 0 313.401 3.307 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)Nc2ccc(OC)cc2)no1 ZINC000289081096 432920514 /nfs/dbraw/zinc/92/05/14/432920514.db2.gz IWYWBZZDHKYKRM-GFCCVEGCSA-N 0 0 315.373 3.329 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(CCC#N)CC1CC1 ZINC000289524434 432966688 /nfs/dbraw/zinc/96/66/88/432966688.db2.gz CNJMJURPDJUOBL-UHFFFAOYSA-N 0 0 301.438 3.183 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)NCCCC(C)(F)F ZINC000297078249 432955118 /nfs/dbraw/zinc/95/51/18/432955118.db2.gz WUTPYCFCHKKPEH-UHFFFAOYSA-N 0 0 314.307 3.395 10 30 DGEERN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449902038 292702951 /nfs/dbraw/zinc/70/29/51/292702951.db2.gz ITOYYJJNIKKCOJ-CABCVRRESA-N 0 0 307.397 3.223 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000290382446 433041572 /nfs/dbraw/zinc/04/15/72/433041572.db2.gz MWHBVMNKNMCGEM-DZGCQCFKSA-N 0 0 314.437 3.053 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000280405296 433046468 /nfs/dbraw/zinc/04/64/68/433046468.db2.gz OLPXGQOWVMZPPT-RDJZCZTQSA-N 0 0 302.418 3.199 10 30 DGEERN C=CCn1c(C)cc(C(=O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1C ZINC000298244659 433067360 /nfs/dbraw/zinc/06/73/60/433067360.db2.gz JLSWGBDADNLCQH-DLBZAZTESA-N 0 0 322.399 3.451 10 30 DGEERN C=CCNC(=O)c1ccc(NC[C@@H]2CCO[C@@H](CC)C2)cc1 ZINC000419737030 433067777 /nfs/dbraw/zinc/06/77/77/433067777.db2.gz CDWHWYSGYGAXOU-PBHICJAKSA-N 0 0 302.418 3.220 10 30 DGEERN CC(=O)N(C)c1ccccc1NCc1cn2ccccc2c1C#N ZINC000446638857 433076740 /nfs/dbraw/zinc/07/67/40/433076740.db2.gz RIGQZNZJPMPNJT-UHFFFAOYSA-N 0 0 318.380 3.406 10 30 DGEERN CC(C)OC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000453316561 433086598 /nfs/dbraw/zinc/08/65/98/433086598.db2.gz IKLLOAUNPQKXLL-LRDDRELGSA-N 0 0 306.381 3.324 10 30 DGEERN C=CCC[C@H]1NC(=O)N([C@H]2CCCc3c(F)cccc32)C1=O ZINC000419964568 433090158 /nfs/dbraw/zinc/09/01/58/433090158.db2.gz IVNCHMZOSPKXLU-CABCVRRESA-N 0 0 302.349 3.090 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000290548672 433092068 /nfs/dbraw/zinc/09/20/68/433092068.db2.gz OVGPAHIOKLWSCM-KGLIPLIRSA-N 0 0 316.449 3.441 10 30 DGEERN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@H]1C ZINC000290556625 433098556 /nfs/dbraw/zinc/09/85/56/433098556.db2.gz YTFBFSZNRIYEEQ-GFCCVEGCSA-N 0 0 318.808 3.010 10 30 DGEERN C=CCN1C(=O)N(C[C@@H]2C[C@H]2C2CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000420055388 433100871 /nfs/dbraw/zinc/10/08/71/433100871.db2.gz GONZNHTYINHEPG-BZSNNMDCSA-N 0 0 324.424 3.094 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1NCCCC ZINC000425322380 433161921 /nfs/dbraw/zinc/16/19/21/433161921.db2.gz FOQFHGHDVMVIST-YOEHRIQHSA-N 0 0 302.418 3.220 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000361420986 433164904 /nfs/dbraw/zinc/16/49/04/433164904.db2.gz DNBNLAILDLRFOL-KDOFPFPSSA-N 0 0 305.393 3.297 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000373889487 433165454 /nfs/dbraw/zinc/16/54/54/433165454.db2.gz DFGUZZGLWZFHGP-DOXZYTNZSA-N 0 0 315.413 3.040 10 30 DGEERN N#C[C@H]1CN(CCCc2c(F)cccc2Cl)CCN1C1CC1 ZINC000373913657 433169146 /nfs/dbraw/zinc/16/91/46/433169146.db2.gz YTURCRKKKWDSGU-AWEZNQCLSA-N 0 0 321.827 3.084 10 30 DGEERN C=CCn1c(N2CC[C@](C)(CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453435222 433183508 /nfs/dbraw/zinc/18/35/08/433183508.db2.gz GMZBEFYOSUGNMI-IRXDYDNUSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2CC[C@](C)(CC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453435220 433184118 /nfs/dbraw/zinc/18/41/18/433184118.db2.gz GMZBEFYOSUGNMI-DLBZAZTESA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N(C)Cc2ccccc2)nnc1[C@]1(C)CCCO1 ZINC000453436488 433184156 /nfs/dbraw/zinc/18/41/56/433184156.db2.gz IKHIFFWWYWVPAA-SFHVURJKSA-N 0 0 312.417 3.126 10 30 DGEERN C=CCn1c(N(C)[C@H](C)CCSC)nnc1[C@]1(C)CCCO1 ZINC000453441940 433185687 /nfs/dbraw/zinc/18/56/87/433185687.db2.gz OWKZBGCKDMPMMO-CJNGLKHVSA-N 0 0 324.494 3.068 10 30 DGEERN C=CCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453441325 433185905 /nfs/dbraw/zinc/18/59/05/433185905.db2.gz OCCDKFVTYUGQMJ-MAUKXSAKSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453441324 433186591 /nfs/dbraw/zinc/18/65/91/433186591.db2.gz OCCDKFVTYUGQMJ-CRAIPNDOSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N(CC(C)C)C(C)C)nnc1[C@]1(C)CCCO1 ZINC000453442652 433188051 /nfs/dbraw/zinc/18/80/51/433188051.db2.gz PUKJDOLVJQQWHL-KRWDZBQOSA-N 0 0 306.454 3.361 10 30 DGEERN C=CCn1c(N2CCC[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453445292 433189442 /nfs/dbraw/zinc/18/94/42/433189442.db2.gz UOPYSVRLYQOBIL-PBHICJAKSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2CCCC(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448932 433190745 /nfs/dbraw/zinc/19/07/45/433190745.db2.gz ZMQWOYQLFNSCON-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=CC1CCN(c2nnc([C@]3(C)CCCO3)n2CC(=C)C)CC1 ZINC000453460287 433197324 /nfs/dbraw/zinc/19/73/24/433197324.db2.gz DGILZEWCQPSDNV-SFHVURJKSA-N 0 0 316.449 3.282 10 30 DGEERN C=C(C)Cn1c(N(C)C[C@H](C)CC)nnc1[C@]1(C)CCCO1 ZINC000453463656 433198972 /nfs/dbraw/zinc/19/89/72/433198972.db2.gz JBVAPIFJCSPMQN-PBHICJAKSA-N 0 0 306.454 3.362 10 30 DGEERN COc1cc(C#N)ccc1CNc1ccc2ccc(=O)n(C)c2c1 ZINC000447409161 433199204 /nfs/dbraw/zinc/19/92/04/433199204.db2.gz UBLFSZOGTMCQMG-UHFFFAOYSA-N 0 0 319.364 3.031 10 30 DGEERN C=C(C)Cn1c(N(CC)CC(C)C)nnc1[C@@]1(C)CCCO1 ZINC000453470619 433201102 /nfs/dbraw/zinc/20/11/02/433201102.db2.gz QKGBUFMIASOAFX-QGZVFWFLSA-N 0 0 306.454 3.362 10 30 DGEERN C=CCCCN(C)c1nnc([C@]2(C)CCCO2)n1CC(C)C ZINC000453474733 433201346 /nfs/dbraw/zinc/20/13/46/433201346.db2.gz BGTNJFDPAWMVCV-KRWDZBQOSA-N 0 0 306.454 3.362 10 30 DGEERN Cn1ccc([C@@H](NCc2ccc(C#N)cc2)c2ccc(F)cc2)n1 ZINC000374525014 433214878 /nfs/dbraw/zinc/21/48/78/433214878.db2.gz XGKACGWEGBDZFO-IBGZPJMESA-N 0 0 320.371 3.310 10 30 DGEERN C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000337194557 433215640 /nfs/dbraw/zinc/21/56/40/433215640.db2.gz VKOQCXYDBBYYKN-SJORKVTESA-N 0 0 302.393 3.140 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425403245 433220336 /nfs/dbraw/zinc/22/03/36/433220336.db2.gz IGBQVHFYXRDJNM-KRWDZBQOSA-N 0 0 316.445 3.083 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C)[C@H]1C ZINC000350595445 433221903 /nfs/dbraw/zinc/22/19/03/433221903.db2.gz DYUJOGILCSEZFF-CPUCHLNUSA-N 0 0 324.428 3.375 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCC)c1ccccc1 ZINC000425404057 433223543 /nfs/dbraw/zinc/22/35/43/433223543.db2.gz VMNVRKBAOBATRR-BBWFWOEESA-N 0 0 302.418 3.418 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000291461213 433240858 /nfs/dbraw/zinc/24/08/58/433240858.db2.gz IDVSRRMSOCQVCD-QGZVFWFLSA-N 0 0 314.429 3.260 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)C1(CC=C)CCOCC1 ZINC000425455444 433248867 /nfs/dbraw/zinc/24/88/67/433248867.db2.gz AIYUTBFERGJZHD-UHFFFAOYSA-N 0 0 324.424 3.446 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCn2c(cc3ccccc32)C1 ZINC000361568183 433249653 /nfs/dbraw/zinc/24/96/53/433249653.db2.gz QRVYQMPCWLPTTE-INIZCTEOSA-N 0 0 323.440 3.046 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000420781222 433254167 /nfs/dbraw/zinc/25/41/67/433254167.db2.gz ASIKWIQVHCYLDW-HZPDHXFCSA-N 0 0 318.417 3.008 10 30 DGEERN C=C(C)[C@@H](CC(=O)OCc1nnc(C(C)(C)C)s1)OCC ZINC000281178278 433269451 /nfs/dbraw/zinc/26/94/51/433269451.db2.gz LDDRMXOXDZLXBM-LLVKDONJSA-N 0 0 312.435 3.250 10 30 DGEERN C=CCCCN(C)C(=O)c1nc(Br)sc1C ZINC000281114020 433261440 /nfs/dbraw/zinc/26/14/40/433261440.db2.gz HNIFEBNSOARLNJ-UHFFFAOYSA-N 0 0 303.225 3.252 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000447894408 433315381 /nfs/dbraw/zinc/31/53/81/433315381.db2.gz TYHGDUVRTIGUIK-UHFFFAOYSA-N 0 0 303.406 3.047 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281190397 433271454 /nfs/dbraw/zinc/27/14/54/433271454.db2.gz SAVSLXUATFANDK-CVEARBPZSA-N 0 0 314.429 3.100 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1ccccc1C ZINC000281210479 433271943 /nfs/dbraw/zinc/27/19/43/433271943.db2.gz DEGUNGUHYWGAIS-PBHICJAKSA-N 0 0 305.443 3.185 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](OCC)c1ccccc1 ZINC000298899856 433274040 /nfs/dbraw/zinc/27/40/40/433274040.db2.gz NOERPGZVCGHCDB-CYBMUJFWSA-N 0 0 301.308 3.341 10 30 DGEERN C=C(CC)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000454017909 433274667 /nfs/dbraw/zinc/27/46/67/433274667.db2.gz AAWMNUJYDLPHPX-UHFFFAOYSA-N 0 0 324.808 3.148 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC000338105861 433274634 /nfs/dbraw/zinc/27/46/34/433274634.db2.gz UWYHLGUFISWSAD-CQSZACIVSA-N 0 0 313.401 3.613 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H]2CCc3ccccc3C2)CCOCC1 ZINC000425508773 433275274 /nfs/dbraw/zinc/27/52/74/433275274.db2.gz SLIAZCMKNNFOPE-GOSISDBHSA-N 0 0 313.441 3.375 10 30 DGEERN C=C(CC)CNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000454033481 433276615 /nfs/dbraw/zinc/27/66/15/433276615.db2.gz PMHXAXLWMLPFAT-UHFFFAOYSA-N 0 0 316.735 3.299 10 30 DGEERN C=CCCCNc1cc(Br)cc(F)c1C(N)=O ZINC000447815004 433289827 /nfs/dbraw/zinc/28/98/27/433289827.db2.gz CTMBHCKGILZLBP-UHFFFAOYSA-N 0 0 301.159 3.065 10 30 DGEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000281336017 433291098 /nfs/dbraw/zinc/29/10/98/433291098.db2.gz CKABRKNPRDPAOP-GFCCVEGCSA-N 0 0 310.344 3.208 10 30 DGEERN C=CCn1cc(CNC(=O)N[C@H](CCC)C2CCCCC2)nn1 ZINC000425561452 433302274 /nfs/dbraw/zinc/30/22/74/433302274.db2.gz BKWWCSNPGDQMJC-MRXNPFEDSA-N 0 0 319.453 3.012 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000425573378 433307799 /nfs/dbraw/zinc/30/77/99/433307799.db2.gz KITPEYDBDPXXHO-XIRDDKMYSA-N 0 0 302.418 3.023 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000425583977 433310518 /nfs/dbraw/zinc/31/05/18/433310518.db2.gz PFBJVSTUFBVVTG-UAGQMJEPSA-N 0 0 318.392 3.263 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000454260526 433348317 /nfs/dbraw/zinc/34/83/17/433348317.db2.gz AAYGUCOHVXSYLB-UHFFFAOYSA-N 0 0 322.478 3.463 10 30 DGEERN C=CCCC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000281700466 433351282 /nfs/dbraw/zinc/35/12/82/433351282.db2.gz BSWQIGYOXLBAAC-GFCCVEGCSA-N 0 0 310.191 3.355 10 30 DGEERN C=CCCCNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000448034679 433356098 /nfs/dbraw/zinc/35/60/98/433356098.db2.gz KMDUFGOSWFCGTE-CYBMUJFWSA-N 0 0 308.809 3.469 10 30 DGEERN C=CCCCNC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000448036690 433356231 /nfs/dbraw/zinc/35/62/31/433356231.db2.gz ZYKFNBRGPXPNAL-MRXNPFEDSA-N 0 0 319.424 3.368 10 30 DGEERN C=CCCCNC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000448034680 433356299 /nfs/dbraw/zinc/35/62/99/433356299.db2.gz KMDUFGOSWFCGTE-ZDUSSCGKSA-N 0 0 308.809 3.469 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1Cc2ccccc2C[C@@H]1CC ZINC000425846170 433362830 /nfs/dbraw/zinc/36/28/30/433362830.db2.gz BOVJIYBHDCPKID-SZMVWBNQSA-N 0 0 314.429 3.124 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000425864682 433363823 /nfs/dbraw/zinc/36/38/23/433363823.db2.gz ZRUIMBNWQYFPOQ-XHSDSOJGSA-N 0 0 308.466 3.435 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H](C)Cc1ccsc1 ZINC000425860011 433363832 /nfs/dbraw/zinc/36/38/32/433363832.db2.gz SMQZUEWCGVCKPA-BPUTZDHNSA-N 0 0 322.474 3.302 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375118719 433366480 /nfs/dbraw/zinc/36/64/80/433366480.db2.gz ANIKTQWYOZFGKM-WFASDCNBSA-N 0 0 306.406 3.011 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299601903 433376294 /nfs/dbraw/zinc/37/62/94/433376294.db2.gz FLVOCONJWWYVLA-UHFFFAOYSA-N 0 0 302.252 3.094 10 30 DGEERN C=CCCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000447935285 433329957 /nfs/dbraw/zinc/32/99/57/433329957.db2.gz FZGWZTIBGDWYBP-UHFFFAOYSA-N 0 0 307.337 3.258 10 30 DGEERN C=CCCCNC(=O)NCCc1ccccc1Br ZINC000447975062 433337449 /nfs/dbraw/zinc/33/74/49/433337449.db2.gz YZNAMQHFBOMFFR-UHFFFAOYSA-N 0 0 311.223 3.257 10 30 DGEERN C=CCCCNC(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000447981583 433339313 /nfs/dbraw/zinc/33/93/13/433339313.db2.gz ZAFGWOAFTWJKPO-ZDUSSCGKSA-N 0 0 318.417 3.174 10 30 DGEERN C=C1CCN([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000341997850 433405118 /nfs/dbraw/zinc/40/51/18/433405118.db2.gz IRCCWIDIFSIOAX-AWEZNQCLSA-N 0 0 302.443 3.166 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cc(C2(C)CCCC2)on1)OCC ZINC000448417650 433410621 /nfs/dbraw/zinc/41/06/21/433410621.db2.gz ZLYLATYHYUCIAL-ZDUSSCGKSA-N 0 0 306.406 3.816 10 30 DGEERN Cc1cc(C)n(-c2cncc(N[C@H](C)c3ccc(C#N)cc3)n2)n1 ZINC000301172449 433439629 /nfs/dbraw/zinc/43/96/29/433439629.db2.gz KKXUKLJHZXGBHF-CQSZACIVSA-N 0 0 318.384 3.324 10 30 DGEERN COc1ccccc1N1CCC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000301248363 433466532 /nfs/dbraw/zinc/46/65/32/433466532.db2.gz ACEFTCIENKXWMW-OAHLLOKOSA-N 0 0 308.385 3.043 10 30 DGEERN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C#N)n1C ZINC000448669371 433484775 /nfs/dbraw/zinc/48/47/75/433484775.db2.gz XDDPYUPZRLOKQR-JTQLQIEISA-N 0 0 303.312 3.008 10 30 DGEERN C=CCC1(c2nc([C@@H]3CC(=O)N(CC)C3)no2)CCCCC1 ZINC000351446489 433514051 /nfs/dbraw/zinc/51/40/51/433514051.db2.gz USGJDSJWPPFFRE-CYBMUJFWSA-N 0 0 303.406 3.183 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000448733745 433519475 /nfs/dbraw/zinc/51/94/75/433519475.db2.gz FXAXITZLCOXYHX-INIZCTEOSA-N 0 0 307.397 3.134 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000448766227 433537665 /nfs/dbraw/zinc/53/76/65/433537665.db2.gz YKZVSVGCBHMFJQ-UHFFFAOYSA-N 0 0 315.804 3.258 10 30 DGEERN C=C(C)CCNC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000454571639 433490340 /nfs/dbraw/zinc/49/03/40/433490340.db2.gz FNSSOFADRUAUAL-UHFFFAOYSA-N 0 0 318.417 3.407 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1NCC1(O)CCCCCC1 ZINC000301301339 433497210 /nfs/dbraw/zinc/49/72/10/433497210.db2.gz VCHJQPZMDBRCKF-UHFFFAOYSA-N 0 0 313.323 3.469 10 30 DGEERN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C#N)n2C)C2CC2)o1 ZINC000448701546 433503243 /nfs/dbraw/zinc/50/32/43/433503243.db2.gz PHMJWGCIWIKBPF-MLGOLLRUSA-N 0 0 323.396 3.418 10 30 DGEERN C=CCOc1ccc(CNC(C)(C)c2cn(C(C)C)nn2)cc1 ZINC000421407197 433552484 /nfs/dbraw/zinc/55/24/84/433552484.db2.gz VLXGFMUHHYWEFB-UHFFFAOYSA-N 0 0 314.433 3.449 10 30 DGEERN CC1(C)C[C@]1(C#N)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000362173066 433562109 /nfs/dbraw/zinc/56/21/09/433562109.db2.gz JSHPRQNRLMKIAN-OAHLLOKOSA-N 0 0 310.319 3.446 10 30 DGEERN CC1(C)C[C@]1(C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000362173857 433563115 /nfs/dbraw/zinc/56/31/15/433563115.db2.gz QGSLKMZTYLFXMQ-CQSZACIVSA-N 0 0 313.184 3.181 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)c1ccnn1C ZINC000421430987 433564498 /nfs/dbraw/zinc/56/44/98/433564498.db2.gz SOIOLPLFQPNOKR-NSHDSACASA-N 0 0 323.849 3.453 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)CC1(F)F ZINC000421457723 433580239 /nfs/dbraw/zinc/58/02/39/433580239.db2.gz XKRPSRYNSYOPQD-AWEZNQCLSA-N 0 0 310.300 3.155 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000282269997 433545672 /nfs/dbraw/zinc/54/56/72/433545672.db2.gz MANGTJICIACJPH-GFCCVEGCSA-N 0 0 316.371 3.441 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1cncc(C)c1 ZINC000293167186 433643298 /nfs/dbraw/zinc/64/32/98/433643298.db2.gz NDRFUMWXRQQIOI-LJQANCHMSA-N 0 0 306.409 3.073 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426804910 433605684 /nfs/dbraw/zinc/60/56/84/433605684.db2.gz XEDVOSIOYZJNMV-QGZVFWFLSA-N 0 0 315.344 3.306 10 30 DGEERN C=C(Br)CN[C@H](c1nccs1)C(F)(F)F ZINC000292950510 433605727 /nfs/dbraw/zinc/60/57/27/433605727.db2.gz KMTZDXZZOKPEOQ-ZCFIWIBFSA-N 0 0 301.131 3.245 10 30 DGEERN C=CCn1c(C)cc(C(=O)CN(C[C@H](C)OC)C(C)C)c1C ZINC000362255340 433605757 /nfs/dbraw/zinc/60/57/57/433605757.db2.gz XCYGAUYBMPLHFO-HNNXBMFYSA-N 0 0 306.450 3.219 10 30 DGEERN Cc1ccccc1C1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448925100 433616221 /nfs/dbraw/zinc/61/62/21/433616221.db2.gz LVSYTMIIXKADSI-UHFFFAOYSA-N 0 0 307.397 3.225 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(CSC)cc1 ZINC000356574375 433617196 /nfs/dbraw/zinc/61/71/96/433617196.db2.gz HDYBWNLEAVRCJU-HOTGVXAUSA-N 0 0 305.443 3.147 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000448944935 433625698 /nfs/dbraw/zinc/62/56/98/433625698.db2.gz ULRLYGKZIHAQKV-OLMNPRSZSA-N 0 0 317.429 3.066 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282734927 433626913 /nfs/dbraw/zinc/62/69/13/433626913.db2.gz SVGBSPXONAFRGC-CQSZACIVSA-N 0 0 320.408 3.085 10 30 DGEERN CCCCCCCCOCC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000376095005 433663296 /nfs/dbraw/zinc/66/32/96/433663296.db2.gz STBWBENMQHODLY-INIZCTEOSA-N 0 0 307.438 3.450 10 30 DGEERN N#CC1(C(=O)N2CCc3c2cccc3Br)CCCC1 ZINC000421654969 433663476 /nfs/dbraw/zinc/66/34/76/433663476.db2.gz FFIHNFSPDRCBQO-UHFFFAOYSA-N 0 0 319.202 3.422 10 30 DGEERN C=CCSc1ccccc1C(=O)NCc1cccc(OC)n1 ZINC000362391978 433688059 /nfs/dbraw/zinc/68/80/59/433688059.db2.gz ZVZLMXSQFUITGD-UHFFFAOYSA-N 0 0 314.410 3.298 10 30 DGEERN C#Cc1cccc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)c1 ZINC000376271694 433703942 /nfs/dbraw/zinc/70/39/42/433703942.db2.gz WWWNYJJEFWTBMU-QGZVFWFLSA-N 0 0 305.381 3.159 10 30 DGEERN Cc1cc(Nc2cccc(N3CCCC3=O)c2)c(C#N)c(C)n1 ZINC000301764275 433712634 /nfs/dbraw/zinc/71/26/34/433712634.db2.gz GVSQRNZCUIDWSB-UHFFFAOYSA-N 0 0 306.369 3.441 10 30 DGEERN N#Cc1cnccc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000373458589 293277318 /nfs/dbraw/zinc/27/73/18/293277318.db2.gz GVXXDICGPPYCSG-GFCCVEGCSA-N 0 0 305.790 3.246 10 30 DGEERN Cc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1C#N ZINC000374138191 293357044 /nfs/dbraw/zinc/35/70/44/293357044.db2.gz OBEZYLBYTDVYPR-UHFFFAOYSA-N 0 0 312.413 3.146 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362456685 433729425 /nfs/dbraw/zinc/72/94/25/433729425.db2.gz WSKGQAMAVLMBFE-JKSUJKDBSA-N 0 0 302.418 3.253 10 30 DGEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C)C1 ZINC000283475914 433730584 /nfs/dbraw/zinc/73/05/84/433730584.db2.gz BRFNVGFFLOXRRK-UHFFFAOYSA-N 0 0 311.433 3.076 10 30 DGEERN C[S@@](=O)Cc1cc(Nc2cccc(C#N)n2)ccc1Cl ZINC000301805959 433733599 /nfs/dbraw/zinc/73/35/99/433733599.db2.gz ABIRTZIEOPVZNI-HXUWFJFHSA-N 0 0 305.790 3.229 10 30 DGEERN C=CCC(F)(F)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000293438743 433739075 /nfs/dbraw/zinc/73/90/75/433739075.db2.gz WMYNFWDKEJJUGD-RISCZKNCSA-N 0 0 313.319 3.326 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC=C(c3ccco3)C2)CC1 ZINC000376448829 433739113 /nfs/dbraw/zinc/73/91/13/433739113.db2.gz KMAICSHYTAYDJS-UHFFFAOYSA-N 0 0 313.401 3.408 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000362548625 433750678 /nfs/dbraw/zinc/75/06/78/433750678.db2.gz WEOIUEUXBZTHFU-BBRMVZONSA-N 0 0 305.374 3.014 10 30 DGEERN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CCCOC ZINC000283659053 433757803 /nfs/dbraw/zinc/75/78/03/433757803.db2.gz QDTPDNPHLGDHOJ-UHFFFAOYSA-N 0 0 318.421 3.204 10 30 DGEERN CC(C)C[C@H](Nc1ccc(C#N)nn1)c1nc2ccccc2[nH]1 ZINC000301861117 433762536 /nfs/dbraw/zinc/76/25/36/433762536.db2.gz AETYBNKGTAMZCK-HNNXBMFYSA-N 0 0 306.373 3.424 10 30 DGEERN N#Cc1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)ccc1F ZINC000339775035 433769495 /nfs/dbraw/zinc/76/94/95/433769495.db2.gz DEMOZRQDDUMRQC-AEFFLSMTSA-N 0 0 314.335 3.144 10 30 DGEERN CO[C@@H]1CN(c2c(C#N)cnc3c(C)cc(F)cc32)CC[C@@H]1C ZINC000302568952 433823907 /nfs/dbraw/zinc/82/39/07/433823907.db2.gz PVUFOWJASQJXST-MEDUHNTESA-N 0 0 313.376 3.415 10 30 DGEERN C=CCNc1ncc(C(=O)N(C)Cc2cc(C)ccc2C)s1 ZINC000430709777 433797478 /nfs/dbraw/zinc/79/74/78/433797478.db2.gz ZDGWWFPWZNWBPP-UHFFFAOYSA-N 0 0 315.442 3.630 10 30 DGEERN C=CCNC(=O)c1ccc(N2CC[C@@H](c3ccc(C)cc3)C2)nc1 ZINC000302140790 433810379 /nfs/dbraw/zinc/81/03/79/433810379.db2.gz JHYWIRDHAYKMLL-GOSISDBHSA-N 0 0 321.424 3.300 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](O)Cc2ccccc2)CCCCC1 ZINC000449843117 433830564 /nfs/dbraw/zinc/83/05/64/433830564.db2.gz GSGDFYNRMQKKNH-KRWDZBQOSA-N 0 0 301.430 3.233 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000362725556 433838201 /nfs/dbraw/zinc/83/82/01/433838201.db2.gz QSIVFIZCPYXBGF-UKRRQHHQSA-N 0 0 307.777 3.462 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000376931005 433841252 /nfs/dbraw/zinc/84/12/52/433841252.db2.gz IWZZXGXGACFYLI-UHFFFAOYSA-N 0 0 302.377 3.028 10 30 DGEERN C=CC(C)(C)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449906213 433864669 /nfs/dbraw/zinc/86/46/69/433864669.db2.gz XFIIIWSWZJQFRX-GASCZTMLSA-N 0 0 316.445 3.447 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000456939907 433899865 /nfs/dbraw/zinc/89/98/65/433899865.db2.gz RIIOJFUJYVQRBS-LBPRGKRZSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000422230546 433904361 /nfs/dbraw/zinc/90/43/61/433904361.db2.gz CUKDLJOLNQXTLD-JKSUJKDBSA-N 0 0 320.408 3.481 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000450063300 433950393 /nfs/dbraw/zinc/95/03/93/433950393.db2.gz UKUHCOYEKVCMKB-UHFFFAOYSA-N 0 0 314.776 3.377 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(N(C)C)c1C ZINC000436382933 433952287 /nfs/dbraw/zinc/95/22/87/433952287.db2.gz CYTWJTWRQBCQLO-WMLDXEAASA-N 0 0 317.433 3.164 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000377762599 433982304 /nfs/dbraw/zinc/98/23/04/433982304.db2.gz PZWNRPMRRGHLKI-AWEZNQCLSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2C[C@H]3CCCC[C@H]32)cc1 ZINC000377760868 433983558 /nfs/dbraw/zinc/98/35/58/433983558.db2.gz AMFOKYDORXAKKA-GDBMZVCRSA-N 0 0 313.401 3.009 10 30 DGEERN Cc1nc(CC(C)C)c(NC(=O)c2ccc(C#N)n2C)s1 ZINC000450133718 433987475 /nfs/dbraw/zinc/98/74/75/433987475.db2.gz STNAZVVPNKNNFS-UHFFFAOYSA-N 0 0 302.403 3.113 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1cccc(COC)c1 ZINC000285649563 434026048 /nfs/dbraw/zinc/02/60/48/434026048.db2.gz DRRADWVUOYCDPL-HXUWFJFHSA-N 0 0 321.420 3.126 10 30 DGEERN CC[C@H](CSc1ccccc1)NC(=O)c1ccc(C#N)n1C ZINC000450209115 434027919 /nfs/dbraw/zinc/02/79/19/434027919.db2.gz SXLUCYWODOIPFP-CYBMUJFWSA-N 0 0 313.426 3.197 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccnn1C(C)C ZINC000285884036 434096360 /nfs/dbraw/zinc/09/63/60/434096360.db2.gz YUZKWWYESCMYJE-INIZCTEOSA-N 0 0 310.401 3.220 10 30 DGEERN C[C@H](CC(C)(C)C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000457194261 434047658 /nfs/dbraw/zinc/04/76/58/434047658.db2.gz OMQMJZPQGMYHAV-PXAZEXFGSA-N 0 0 310.438 3.189 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000285957464 434119757 /nfs/dbraw/zinc/11/97/57/434119757.db2.gz VSRJQQJURJTOOL-GUDVDZBRSA-N 0 0 313.441 3.333 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(C(F)(F)F)n1 ZINC000294638425 434122514 /nfs/dbraw/zinc/12/25/14/434122514.db2.gz GQIVSNFHPVPCAK-UHFFFAOYSA-N 0 0 312.213 3.291 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(C2CC2)nc1 ZINC000294828507 434147229 /nfs/dbraw/zinc/14/72/29/434147229.db2.gz XCJFUBACVJCUEF-UHFFFAOYSA-N 0 0 318.380 3.054 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295072841 434182384 /nfs/dbraw/zinc/18/23/84/434182384.db2.gz UZTBNIXUFMFXJK-UHFFFAOYSA-N 0 0 314.345 3.023 10 30 DGEERN C[C@@H](CNc1ncc(Br)cc1C#N)c1nccs1 ZINC000295122826 434213885 /nfs/dbraw/zinc/21/38/85/434213885.db2.gz WZQPZCKLYJCZHU-QMMMGPOBSA-N 0 0 323.219 3.388 10 30 DGEERN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc(C#N)n2C)c1 ZINC000450555065 434261800 /nfs/dbraw/zinc/26/18/00/434261800.db2.gz LHCPRIUZNSLWPR-SCLBCKFNSA-N 0 0 323.396 3.129 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000437493128 434271831 /nfs/dbraw/zinc/27/18/31/434271831.db2.gz SEUBVLWMEYXBIO-ZAUVIXRXSA-N 0 0 321.367 3.166 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000450509423 434236862 /nfs/dbraw/zinc/23/68/62/434236862.db2.gz KKMOOLREUSKWPA-SCOAYWHSSA-N 0 0 305.381 3.215 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@](C)(O)c1ccccc1 ZINC000286658719 434283780 /nfs/dbraw/zinc/28/37/80/434283780.db2.gz DYRFSQOIUPYYOZ-FPOVZHCZSA-N 0 0 321.420 3.035 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@](C)(O)c1ccccc1 ZINC000286658716 434284008 /nfs/dbraw/zinc/28/40/08/434284008.db2.gz DYRFSQOIUPYYOZ-CTNGQTDRSA-N 0 0 321.420 3.035 10 30 DGEERN CC(=O)Nc1ccn([C@H]2CCN(C(=O)C3=CCCCCC3)C2)n1 ZINC000328612298 434287600 /nfs/dbraw/zinc/28/76/00/434287600.db2.gz OICNCFVUPZEYFU-HNNXBMFYSA-N 0 0 316.405 3.155 10 30 DGEERN Cc1cc([C@H](C)NC(=O)c2c[nH]nc2[C@H]2CCOC2)c(C)o1 ZINC000328641473 434293023 /nfs/dbraw/zinc/29/30/23/434293023.db2.gz XXUWOEGUEKQVEE-JQWIXIFHSA-N 0 0 303.362 3.189 10 30 DGEERN C[C@H](Cn1cc(Br)cc(C#N)c1=O)c1ccccc1 ZINC000384881574 434294916 /nfs/dbraw/zinc/29/49/16/434294916.db2.gz JYEJUXNQBJBVNM-LLVKDONJSA-N 0 0 317.186 3.286 10 30 DGEERN CC[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1nccs1 ZINC000328730231 434306683 /nfs/dbraw/zinc/30/66/83/434306683.db2.gz FZEMUDZCTRHAFN-WDEREUQCSA-N 0 0 322.434 3.139 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000328791062 434312249 /nfs/dbraw/zinc/31/22/49/434312249.db2.gz QQIUAOHWTIAVEN-RGCMKSIDSA-N 0 0 304.438 3.327 10 30 DGEERN CC(C)[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000328879256 434321565 /nfs/dbraw/zinc/32/15/65/434321565.db2.gz JTSYFELMBNKRKB-IXDOHACOSA-N 0 0 302.418 3.455 10 30 DGEERN N#CC1(N(C(=O)Cc2cnc3ccccc3c2)C2CC2)CCC1 ZINC000328891514 434324308 /nfs/dbraw/zinc/32/43/08/434324308.db2.gz SKHWFCQWCOZCHY-UHFFFAOYSA-N 0 0 305.381 3.215 10 30 DGEERN C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329185130 434368620 /nfs/dbraw/zinc/36/86/20/434368620.db2.gz AKDRBKAPNWOANM-KGLIPLIRSA-N 0 0 318.465 3.284 10 30 DGEERN CC1CCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329273023 434382588 /nfs/dbraw/zinc/38/25/88/434382588.db2.gz JUQZIGHKGWDUOW-AWEZNQCLSA-N 0 0 318.465 3.141 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000437779357 434334934 /nfs/dbraw/zinc/33/49/34/434334934.db2.gz WNVPBVKJUPVGDW-QRTARXTBSA-N 0 0 320.433 3.190 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000287383894 434348669 /nfs/dbraw/zinc/34/86/69/434348669.db2.gz ISXUCJGVDLDLDF-ZDUSSCGKSA-N 0 0 321.342 3.415 10 30 DGEERN C#CCC(CC#C)C(=O)NCc1ccc(Br)cc1C ZINC000287419499 434357172 /nfs/dbraw/zinc/35/71/72/434357172.db2.gz LFEFYBGCKJBGDT-UHFFFAOYSA-N 0 0 318.214 3.037 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ncc(Cl)cc2C)no1 ZINC000329619608 434442981 /nfs/dbraw/zinc/44/29/81/434442981.db2.gz MGWZZWHRSHVKOP-NSHDSACASA-N 0 0 321.768 3.117 10 30 DGEERN CN(C)c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC000358565102 434398156 /nfs/dbraw/zinc/39/81/56/434398156.db2.gz ICGURCBFZJKVMN-UHFFFAOYSA-N 0 0 320.352 3.253 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)c1ccccn1 ZINC000287602420 434408964 /nfs/dbraw/zinc/40/89/64/434408964.db2.gz YVVBTFXFQCKHBS-AEFFLSMTSA-N 0 0 321.424 3.419 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000329441030 434413127 /nfs/dbraw/zinc/41/31/27/434413127.db2.gz KWYSMPQNHAHRRF-WSFKTYETSA-N 0 0 322.408 3.082 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(OC)c1OC ZINC000287625354 434413434 /nfs/dbraw/zinc/41/34/34/434413434.db2.gz ZHQCKRWATGYXGC-MRXNPFEDSA-N 0 0 323.392 3.068 10 30 DGEERN C=CCC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OC)c1ccccc1 ZINC000295620484 434425011 /nfs/dbraw/zinc/42/50/11/434425011.db2.gz ZTRQRMIJTIQDCC-FGTMMUONSA-N 0 0 317.429 3.252 10 30 DGEERN COc1ccc(C#N)cc1CN1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366488828 434427491 /nfs/dbraw/zinc/42/74/91/434427491.db2.gz JZASETKJRPKSDI-MOPGFXCFSA-N 0 0 317.392 3.306 10 30 DGEERN C=CCC1(CNc2nnc(C3CCOCC3)s2)CCCC1 ZINC000450841534 434436400 /nfs/dbraw/zinc/43/64/00/434436400.db2.gz CHHOYRCSWOYBNS-UHFFFAOYSA-N 0 0 307.463 3.981 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000287816259 434459993 /nfs/dbraw/zinc/45/99/93/434459993.db2.gz BITXQXKBXAGUJR-UHFFFAOYSA-N 0 0 319.286 3.183 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1c(F)cccc1Br ZINC000417605174 434461098 /nfs/dbraw/zinc/46/10/98/434461098.db2.gz ASELQBFPBULCDG-VIFPVBQESA-N 0 0 316.170 3.097 10 30 DGEERN C[C@@H](C(=O)Nc1nccs1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329700742 434461835 /nfs/dbraw/zinc/46/18/35/434461835.db2.gz ZZSRBPIGFCBJAC-GXTWGEPZSA-N 0 0 323.462 3.401 10 30 DGEERN Cc1csc(C2(NCC(=O)Nc3cc(C)no3)CCC2)n1 ZINC000329759050 434474597 /nfs/dbraw/zinc/47/45/97/434474597.db2.gz OJVCJTUEFRDRIN-UHFFFAOYSA-N 0 0 306.391 3.005 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)cc1C ZINC000417628265 434477086 /nfs/dbraw/zinc/47/70/86/434477086.db2.gz QUICIQNGYIMXJY-CYBMUJFWSA-N 0 0 312.207 3.267 10 30 DGEERN C=CCC[C@@H](CO)Nc1nc(C)cc(OCc2ccccc2)n1 ZINC000450910294 434479061 /nfs/dbraw/zinc/47/90/61/434479061.db2.gz IXSLYKUKIBGWIY-INIZCTEOSA-N 0 0 313.401 3.103 10 30 DGEERN CC(=O)c1cccc(C(F)(F)F)c1OCCOCCC#N ZINC000450927801 434486305 /nfs/dbraw/zinc/48/63/05/434486305.db2.gz DNIRVYNUVXASAO-UHFFFAOYSA-N 0 0 301.264 3.217 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC000458042029 434454900 /nfs/dbraw/zinc/45/49/00/434454900.db2.gz IWWZBRJHKKJYDV-HIFRSBDPSA-N 0 0 321.442 3.206 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000417603773 434456312 /nfs/dbraw/zinc/45/63/12/434456312.db2.gz AIMMUAITKRUFAR-AWEZNQCLSA-N 0 0 319.792 3.239 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000417603698 434456942 /nfs/dbraw/zinc/45/69/42/434456942.db2.gz AADHGXPOLYVCOF-CYBMUJFWSA-N 0 0 320.389 3.458 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000451002875 434529586 /nfs/dbraw/zinc/52/95/86/434529586.db2.gz KFMVAVRFTOESJN-HZPDHXFCSA-N 0 0 307.397 3.038 10 30 DGEERN N#CC1CCC(CNC(=O)[C@@H]2CCCN2c2ccccc2)CC1 ZINC000366921840 434533543 /nfs/dbraw/zinc/53/35/43/434533543.db2.gz MSTMTUDPUWONIQ-HTWSVDAQSA-N 0 0 311.429 3.102 10 30 DGEERN 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C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CCCc1ccccc1 ZINC000424935746 434830252 /nfs/dbraw/zinc/83/02/52/434830252.db2.gz YXGPCROHWCXHDQ-SZMVWBNQSA-N 0 0 301.430 3.353 10 30 DGEERN C=C(C)CN(CC)c1nnc(CCC(C)C)n1C[C@H]1CCOC1 ZINC000461713782 434883295 /nfs/dbraw/zinc/88/32/95/434883295.db2.gz VJJUQMRFXAXNEF-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C)cc1OCC ZINC000573504113 434904619 /nfs/dbraw/zinc/90/46/19/434904619.db2.gz KMAGDKUJMPPGFL-UHFFFAOYSA-N 0 0 318.417 3.195 10 30 DGEERN C=Cc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000462368044 434909765 /nfs/dbraw/zinc/90/97/65/434909765.db2.gz MYPFXNJPGJEGHO-OAHLLOKOSA-N 0 0 320.392 3.327 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](C)[C@H]1C ZINC000460963514 434866459 /nfs/dbraw/zinc/86/64/59/434866459.db2.gz YHSGODUKOFQPPD-LSDHHAIUSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)CC(C)(C)C ZINC000573000528 434867816 /nfs/dbraw/zinc/86/78/16/434867816.db2.gz GVEKUKKQIONTAH-UHFFFAOYSA-N 0 0 305.451 3.378 10 30 DGEERN C=CCCCNC(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000573909783 434935265 /nfs/dbraw/zinc/93/52/65/434935265.db2.gz HPXDRXBDNBFNMG-AWEZNQCLSA-N 0 0 305.397 3.060 10 30 DGEERN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000555247734 434966672 /nfs/dbraw/zinc/96/66/72/434966672.db2.gz MKGATCODSFUOHM-HUUCEWRRSA-N 0 0 311.433 3.476 10 30 DGEERN CCOC(=O)Cc1c(Br)ccc(C(F)F)c1C#N ZINC000575382761 435033461 /nfs/dbraw/zinc/03/34/61/435033461.db2.gz SCQRCTRLGRUPAS-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CC(C)C ZINC000528024093 435019100 /nfs/dbraw/zinc/01/91/00/435019100.db2.gz GTIFRANSHAYGCY-ROUUACIJSA-N 0 0 316.445 3.275 10 30 DGEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1CC ZINC000575389111 435033914 /nfs/dbraw/zinc/03/39/14/435033914.db2.gz YQZJBVUNTZFKSI-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COC(=O)c1c(OC(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000575345238 435030320 /nfs/dbraw/zinc/03/03/20/435030320.db2.gz MCJNHAPYPRLCQS-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)c1 ZINC000528967311 435031230 /nfs/dbraw/zinc/03/12/30/435031230.db2.gz ZTYSVXAIUFFQPF-ACJLOTCBSA-N 0 0 316.401 3.331 10 30 DGEERN CCOC(=O)Cc1ccc(CC)c(OC(F)(F)F)c1C#N ZINC000575388885 435034287 /nfs/dbraw/zinc/03/42/87/435034287.db2.gz HQWCPKRRSAMSNW-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1C(F)(F)F ZINC000575387133 435034542 /nfs/dbraw/zinc/03/45/42/435034542.db2.gz WRNIXIJRNZXPNU-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN COC(=O)c1c(Br)cc(C#N)cc1OC(F)(F)F ZINC000575383574 435032865 /nfs/dbraw/zinc/03/28/65/435032865.db2.gz PMGYRIOJVCSVCL-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1Cl ZINC000575383423 435032870 /nfs/dbraw/zinc/03/28/70/435032870.db2.gz VAJGBNUBZBGQDL-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN COc1ccc(COC[C@@H]2[C@H](C#Cc3ccccc3)[C@@H]2CO)cc1 ZINC000575150616 435006042 /nfs/dbraw/zinc/00/60/42/435006042.db2.gz WHWZYFRMSMMVSU-QHAWAJNXSA-N 0 0 322.404 3.118 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(Cl)cc1OC(F)(F)F ZINC000575383375 435033230 /nfs/dbraw/zinc/03/32/30/435033230.db2.gz RCBPHISUPYMBJX-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Cc1cccc(C#N)c1 ZINC000527053697 435010243 /nfs/dbraw/zinc/01/02/43/435010243.db2.gz FLQISIQNIVNSBY-ZDUSSCGKSA-N 0 0 310.319 3.290 10 30 DGEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1Br ZINC000575383640 435033428 /nfs/dbraw/zinc/03/34/28/435033428.db2.gz CTEKXICRHYLXJZ-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1sc(C2CCCC2)nc1C ZINC000576824059 435058644 /nfs/dbraw/zinc/05/86/44/435058644.db2.gz VGMNZPAUDGIFMG-OLZOCXBDSA-N 0 0 306.431 3.182 10 30 DGEERN Cc1csc([C@H](NC(=O)Cc2cccc(C#N)c2)C2CC2)n1 ZINC000530914697 435059612 /nfs/dbraw/zinc/05/96/12/435059612.db2.gz NEPACRFXANNERH-MRXNPFEDSA-N 0 0 311.410 3.133 10 30 DGEERN N#Cc1cccc(CC(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000531154913 435076416 /nfs/dbraw/zinc/07/64/16/435076416.db2.gz FTUVMSYWJXMBLK-UHFFFAOYSA-N 0 0 322.383 3.474 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000466540357 435082429 /nfs/dbraw/zinc/08/24/29/435082429.db2.gz FGVAPWSYPUPQPC-NVXWUHKLSA-N 0 0 300.402 3.433 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000466540356 435082575 /nfs/dbraw/zinc/08/25/75/435082575.db2.gz FGVAPWSYPUPQPC-DOTOQJQBSA-N 0 0 300.402 3.433 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)F)c1C(F)(F)F ZINC000575386898 435034803 /nfs/dbraw/zinc/03/48/03/435034803.db2.gz OFTISZOIMUDIII-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCOC(=O)Cc1ccc(F)c(SC(F)(F)F)c1C#N ZINC000575390582 435035309 /nfs/dbraw/zinc/03/53/09/435035309.db2.gz ANZQZRXDAMXGHX-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1c(C#N)cc(C=O)cc1SC(F)(F)F ZINC000575391491 435035387 /nfs/dbraw/zinc/03/53/87/435035387.db2.gz NYICIKZMSCOKOE-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN C=CC1CCN(C(=O)Nc2cn(C)nc2-c2ccco2)CC1 ZINC000529238662 435035445 /nfs/dbraw/zinc/03/54/45/435035445.db2.gz RGZXWXPQKYOXDU-UHFFFAOYSA-N 0 0 300.362 3.110 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccsc1C(F)(F)F ZINC000529243757 435035453 /nfs/dbraw/zinc/03/54/53/435035453.db2.gz HMURULGYWQSTOH-MWLCHTKSSA-N 0 0 319.348 3.478 10 30 DGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)c(OC)c1 ZINC000575394636 435035529 /nfs/dbraw/zinc/03/55/29/435035529.db2.gz PQRBPOZZPGDRFR-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)c1c(C#N)c(C=O)ccc1SC(F)(F)F ZINC000575391808 435035534 /nfs/dbraw/zinc/03/55/34/435035534.db2.gz WOIZJHVQODWLPR-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)Cc1c(C=O)cc(C#N)cc1SC(F)(F)F ZINC000575391927 435035669 /nfs/dbraw/zinc/03/56/69/435035669.db2.gz ZVCGQOPVPWXPNQ-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)c(C=O)c1 ZINC000575391868 435035700 /nfs/dbraw/zinc/03/57/00/435035700.db2.gz YASICBMXJPUYCH-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)c1c(OC)ccc(SC(F)(F)F)c1C#N ZINC000575394640 435035820 /nfs/dbraw/zinc/03/58/20/435035820.db2.gz PYVQYELEPHZIRJ-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)c1c(C#N)ccc(SC(F)(F)F)c1OC ZINC000575395002 435036254 /nfs/dbraw/zinc/03/62/54/435036254.db2.gz SBGRFVXICSIOTM-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1OC ZINC000575395096 435036400 /nfs/dbraw/zinc/03/64/00/435036400.db2.gz XRLGQYLAQGZJPF-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)Cc1cc(C#N)c(OC)cc1SC(F)(F)F ZINC000575395039 435036530 /nfs/dbraw/zinc/03/65/30/435036530.db2.gz VRCZQAOUROFBAT-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCc1cc(I)c(C#N)cc1OC(F)F ZINC000575656204 435039746 /nfs/dbraw/zinc/03/97/46/435039746.db2.gz PZJFIECQQKUYIM-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1ccc(OC(F)F)c(I)c1C#N ZINC000575664330 435040769 /nfs/dbraw/zinc/04/07/69/435040769.db2.gz YBQLTUJPOLIJRX-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1c(I)ccc(OC(F)F)c1C#N ZINC000575664427 435040842 /nfs/dbraw/zinc/04/08/42/435040842.db2.gz ZJQFWKHIUZWARL-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN Cc1cc(C#N)cc(I)c1OC(F)F ZINC000575663734 435041111 /nfs/dbraw/zinc/04/11/11/435041111.db2.gz KHFPDRSUAQXANC-UHFFFAOYSA-N 0 0 309.053 3.073 10 30 DGEERN CCOc1cc(CC)c(I)cc1C#N ZINC000575669998 435041980 /nfs/dbraw/zinc/04/19/80/435041980.db2.gz CLIPQZUEKPHSRZ-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN CCOc1cc(C#N)c(CC)cc1I ZINC000575670533 435042290 /nfs/dbraw/zinc/04/22/90/435042290.db2.gz KQNHKIZUEJQTNW-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN CCOc1cc(C#N)cc(CC)c1I ZINC000575670541 435042332 /nfs/dbraw/zinc/04/23/32/435042332.db2.gz KXGLWTGFVWFCJS-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN N#CCc1cc([N+](=O)[O-])cc(Br)c1OC(F)F ZINC000575688351 435043909 /nfs/dbraw/zinc/04/39/09/435043909.db2.gz YAPHTQZGSRNXBJ-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1cc(Br)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575686083 435044062 /nfs/dbraw/zinc/04/40/62/435044062.db2.gz NJJLYIIGMVHJGL-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN Cc1cc(I)c(Br)cc1C#N ZINC000575693479 435045214 /nfs/dbraw/zinc/04/52/14/435045214.db2.gz XCILHZXAWMEONJ-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1ccc(I)c(C#N)c1Br ZINC000575692891 435045286 /nfs/dbraw/zinc/04/52/86/435045286.db2.gz IRGXLXQYNWYCPQ-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1c(I)ccc(Br)c1C#N ZINC000575692785 435045646 /nfs/dbraw/zinc/04/56/46/435045646.db2.gz HHITXMHJPLNQAY-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1cc(Br)c(I)cc1C#N ZINC000575693363 435045669 /nfs/dbraw/zinc/04/56/69/435045669.db2.gz RAUFCKXBKZFVET-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CCOc1cc(C)c(I)c(CC#N)c1 ZINC000575697677 435046678 /nfs/dbraw/zinc/04/66/78/435046678.db2.gz GLQUHWPVCDIZRG-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN N#CCc1c(Br)ccc([N+](=O)[O-])c1Br ZINC000575695843 435047046 /nfs/dbraw/zinc/04/70/46/435047046.db2.gz YZQUVVQEVHKOGY-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN CSc1c(I)ccc(C)c1CC#N ZINC000575707998 435048872 /nfs/dbraw/zinc/04/88/72/435048872.db2.gz DNSXIYZSSJVCBG-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN COC(=O)c1c(F)ccc(OC(F)(F)F)c1OC(F)(F)F ZINC000575710811 435049270 /nfs/dbraw/zinc/04/92/70/435049270.db2.gz NWAMGQLYHFBGOY-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN CSc1c(C)ccc(I)c1CC#N ZINC000575709211 435049349 /nfs/dbraw/zinc/04/93/49/435049349.db2.gz OKRDWDYIGXAIHT-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000575863362 435053350 /nfs/dbraw/zinc/05/33/50/435053350.db2.gz ICVJQBCQQWFVGA-IHRRRGAJSA-N 0 0 316.392 3.092 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000576032850 435054056 /nfs/dbraw/zinc/05/40/56/435054056.db2.gz QCZQRMUZDCUZCF-UVBJJODRSA-N 0 0 324.371 3.306 10 30 DGEERN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000558997603 435118961 /nfs/dbraw/zinc/11/89/61/435118961.db2.gz PHQMXZKDSMRPRW-KRWDZBQOSA-N 0 0 324.428 3.136 10 30 DGEERN N#Cc1cccc(CC(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000532678983 435186248 /nfs/dbraw/zinc/18/62/48/435186248.db2.gz JYPQCCLTVUGUGK-UHFFFAOYSA-N 0 0 320.392 3.245 10 30 DGEERN C=CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000474596219 435152211 /nfs/dbraw/zinc/15/22/11/435152211.db2.gz RPADCHVKYLPLLP-IRXDYDNUSA-N 0 0 323.392 3.303 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)C[C@@H]1C ZINC000580132480 435208135 /nfs/dbraw/zinc/20/81/35/435208135.db2.gz OQXPMJRZJNPRRU-KEYYUXOJSA-N 0 0 324.428 3.375 10 30 DGEERN Cc1c[nH]nc1NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000562187946 435257597 /nfs/dbraw/zinc/25/75/97/435257597.db2.gz YNOOHVCQYBOVPO-UHFFFAOYSA-N 0 0 316.364 3.762 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000564739912 435273706 /nfs/dbraw/zinc/27/37/06/435273706.db2.gz JEVIFTIQUKIJTA-AWEZNQCLSA-N 0 0 320.408 3.208 10 30 DGEERN C=CCCCCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000565429784 435280291 /nfs/dbraw/zinc/28/02/91/435280291.db2.gz JZEGRUACIQRHSB-UHFFFAOYSA-N 0 0 318.392 3.429 10 30 DGEERN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC(C)C)C(=O)[O-] ZINC000566743758 435288376 /nfs/dbraw/zinc/28/83/76/435288376.db2.gz SSBHYQZABKDSSI-HNNXBMFYSA-N 0 0 306.362 3.082 10 30 DGEERN C=C(C)CN(C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000479224559 435325132 /nfs/dbraw/zinc/32/51/32/435325132.db2.gz XPJRQMAUIWNECO-UHFFFAOYSA-N 0 0 311.307 3.090 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cccc(F)c1Cl ZINC000567625122 435338039 /nfs/dbraw/zinc/33/80/39/435338039.db2.gz FQQHRXAOGIJQAQ-UHFFFAOYSA-N 0 0 312.772 3.280 10 30 DGEERN COc1ccc2c(c1)CCCCN2C(=O)Cc1cccc(C#N)c1 ZINC000535742679 435346568 /nfs/dbraw/zinc/34/65/68/435346568.db2.gz IVSWTRTUWRZZAT-UHFFFAOYSA-N 0 0 320.392 3.479 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@H](C(=O)NCCCC)C1 ZINC000568188465 435404430 /nfs/dbraw/zinc/40/44/30/435404430.db2.gz HZCPHASHEDVMIX-MRXNPFEDSA-N 0 0 323.481 3.071 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000515064597 435462102 /nfs/dbraw/zinc/46/21/02/435462102.db2.gz VFWOMJAIABMYCG-XEZPLFJOSA-N 0 0 308.397 3.292 10 30 DGEERN C=CCN(C(=O)[C@H]1C[C@H]1C(C)C)c1nc(C(=O)OCC)cs1 ZINC000483963828 435536312 /nfs/dbraw/zinc/53/63/12/435536312.db2.gz SJBSIHQZABOZEI-RYUDHWBXSA-N 0 0 322.430 3.131 10 30 DGEERN C=CCN(C(=O)N[C@@H]1C[C@]1(C)c1ccccc1OC)C1CC1 ZINC000540110219 435588104 /nfs/dbraw/zinc/58/81/04/435588104.db2.gz DVBQXRCWCBBKSS-SJLPKXTDSA-N 0 0 300.402 3.085 10 30 DGEERN CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486710658 435611686 /nfs/dbraw/zinc/61/16/86/435611686.db2.gz URPQODPFNDDMJN-BLLLJJGKSA-N 0 0 324.421 3.287 10 30 DGEERN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N2CCC(C)(C#N)CC2)o1 ZINC000540942158 435628759 /nfs/dbraw/zinc/62/87/59/435628759.db2.gz QWWIZLFSMNXKJW-OCCSQVGLSA-N 0 0 301.390 3.238 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000540386264 435597335 /nfs/dbraw/zinc/59/73/35/435597335.db2.gz NXGOIZXPGVHIQQ-CGTJXYLNSA-N 0 0 316.445 3.197 10 30 DGEERN C[C@H](Cc1cccc(Br)c1)Nc1ccncc1C#N ZINC000548152676 435672575 /nfs/dbraw/zinc/67/25/75/435672575.db2.gz WWWZUPKBMUFQFL-LLVKDONJSA-N 0 0 316.202 3.181 10 30 DGEERN N#Cc1cnccc1Nc1cccc(OCc2cccnc2)c1 ZINC000548154374 435672821 /nfs/dbraw/zinc/67/28/21/435672821.db2.gz JRGQYUFCWHHRSZ-UHFFFAOYSA-N 0 0 302.337 3.093 10 30 DGEERN CCCCOc1ccc(NC(=O)Cc2cccc(C#N)c2)cn1 ZINC000548147972 435673924 /nfs/dbraw/zinc/67/39/24/435673924.db2.gz XWFCTWAAYOSRTB-UHFFFAOYSA-N 0 0 309.369 3.313 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1oc2ccc(F)cc2c1C ZINC000571910446 435757825 /nfs/dbraw/zinc/75/78/25/435757825.db2.gz XZXSNTPHZADQIM-FZMZJTMJSA-N 0 0 303.333 3.201 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000126502079 301074560 /nfs/dbraw/zinc/07/45/60/301074560.db2.gz LCKDZCRLHCPESQ-HNAYVOBHSA-N 0 0 320.392 3.469 10 30 DGEERN O=C1c2cccc3cccc(c32)C(=O)N1/N=C\c1ccccc1 ZINC000033299621 304720950 /nfs/dbraw/zinc/72/09/50/304720950.db2.gz JUNAVWGTPPHQJK-NDENLUEZSA-N 0 0 300.317 3.470 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343234392 303176749 /nfs/dbraw/zinc/17/67/49/303176749.db2.gz JSPSTPIIKKJVKE-SUMWQHHRSA-N 0 0 300.308 3.149 10 30 DGEERN CCn1c(NC(=O)CCCSC)nc2cc(C#N)ccc21 ZINC000132115170 312635054 /nfs/dbraw/zinc/63/50/54/312635054.db2.gz NQVOVCLMANLNGJ-UHFFFAOYSA-N 0 0 302.403 3.010 10 30 DGEERN CCC(CC)c1nnc(NC(=O)Cc2cccc(C#N)c2)s1 ZINC000531146185 313435884 /nfs/dbraw/zinc/43/58/84/313435884.db2.gz GGSZQNRVUSRJAC-UHFFFAOYSA-N 0 0 314.414 3.495 10 30 DGEERN Cc1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(C)cn1 ZINC000535749229 313727250 /nfs/dbraw/zinc/72/72/50/313727250.db2.gz WBODRHMBVDHXCM-GOSISDBHSA-N 0 0 323.396 3.034 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2(Cc3ccc(F)cc3)CC2)c1 ZINC000537781052 313834057 /nfs/dbraw/zinc/83/40/57/313834057.db2.gz TZSPLBQGURYVRN-UHFFFAOYSA-N 0 0 322.383 3.379 10 30 DGEERN COC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000542521316 314082033 /nfs/dbraw/zinc/08/20/33/314082033.db2.gz CWVYDLXUPWYXJB-INIZCTEOSA-N 0 0 314.772 3.329 10 30 DGEERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Cc2cccc(C#N)c2)C1 ZINC000542583228 314086359 /nfs/dbraw/zinc/08/63/59/314086359.db2.gz YUZOMPTYPFZUAR-KDOFPFPSSA-N 0 0 305.381 3.105 10 30 DGEERN CCCCCN(CCCOC)C(=O)Cc1cccc(C#N)c1 ZINC000542801710 314098984 /nfs/dbraw/zinc/09/89/84/314098984.db2.gz HFCZRDNNKJGWAT-UHFFFAOYSA-N 0 0 302.418 3.156 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000545202950 314233106 /nfs/dbraw/zinc/23/31/06/314233106.db2.gz WEPVIEYVIWRHNL-OALUTQOASA-N 0 0 320.392 3.137 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000545521717 314256517 /nfs/dbraw/zinc/25/65/17/314256517.db2.gz URTKKZDGKLLQCO-UHFFFAOYSA-N 0 0 306.281 3.107 10 30 DGEERN N#Cc1ccccc1-c1ccc(CSCCOCCO)cc1 ZINC000545888499 314272549 /nfs/dbraw/zinc/27/25/49/314272549.db2.gz WNEGWCZOONUIFA-UHFFFAOYSA-N 0 0 313.422 3.467 10 30 DGEERN Cn1c2cccc(Cl)c2nc1NC(=O)Cc1cccc(C#N)c1 ZINC000546631010 314316156 /nfs/dbraw/zinc/31/61/56/314316156.db2.gz IQOZIMGEVLDLFA-UHFFFAOYSA-N 0 0 324.771 3.280 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cccc(C#N)c2)n1 ZINC000547107958 314344180 /nfs/dbraw/zinc/34/41/80/314344180.db2.gz SAYZYXGPTBLZFQ-UHFFFAOYSA-N 0 0 320.308 3.416 10 30 DGEERN C[C@@H](Cc1ccc(Br)cc1)Nc1ccncc1C#N ZINC000548482317 314451442 /nfs/dbraw/zinc/45/14/42/314451442.db2.gz ALHVFXFIDWJIGJ-NSHDSACASA-N 0 0 316.202 3.181 10 30 DGEERN Cc1cc(C#N)nc(N(Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000553008606 314629417 /nfs/dbraw/zinc/62/94/17/314629417.db2.gz NNBOVCQXGQDAHA-UHFFFAOYSA-N 0 0 305.385 3.191 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC=C(c3ccccc3)C2)c1 ZINC000567129269 315398848 /nfs/dbraw/zinc/39/88/48/315398848.db2.gz CKJVRELKYXGNLM-UHFFFAOYSA-N 0 0 302.377 3.417 10 30 DGEERN C[C@@H](Nc1cccnc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000576038949 316087984 /nfs/dbraw/zinc/08/79/84/316087984.db2.gz AHHCNGSDZAOQTG-LLVKDONJSA-N 0 0 312.339 3.028 10 30 DGEERN CCCc1cnc(NC(=O)[C@H](C)Oc2ccccc2C#N)s1 ZINC000180259172 323225369 /nfs/dbraw/zinc/22/53/69/323225369.db2.gz VRZIQFPOLCDCLD-NSHDSACASA-N 0 0 315.398 3.373 10 30 DGEERN Cc1c(NCc2cnc3ccc(C#N)cn23)cccc1N(C)C ZINC000181162125 323247401 /nfs/dbraw/zinc/24/74/01/323247401.db2.gz LXRXWFZYLZXJFY-UHFFFAOYSA-N 0 0 305.385 3.193 10 30 DGEERN CC(C)c1nnc(CSCc2ccc(F)cc2C#N)n1C ZINC000182353212 323295141 /nfs/dbraw/zinc/29/51/41/323295141.db2.gz JJUDCZDDXHCCEP-UHFFFAOYSA-N 0 0 304.394 3.383 10 30 DGEERN CCOc1ccc([C@@H]2C[C@H]2NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000583121857 324315175 /nfs/dbraw/zinc/31/51/75/324315175.db2.gz CRCAXTSQPXFFPC-RBUKOAKNSA-N 0 0 320.392 3.172 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1ccc(Cl)cc1COC ZINC000570710864 332804787 /nfs/dbraw/zinc/80/47/87/332804787.db2.gz NGVXLXLKLMCSAB-UHFFFAOYSA-N 0 0 310.825 3.323 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(C)c(OC)c1C ZINC000517172718 331508115 /nfs/dbraw/zinc/50/81/15/331508115.db2.gz NVMARFLYZZNWPT-UHFFFAOYSA-N 0 0 318.417 3.113 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000186399652 332924674 /nfs/dbraw/zinc/92/46/74/332924674.db2.gz BCYALXUEXMFZSS-HOTGVXAUSA-N 0 0 304.434 3.318 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000185885253 331663178 /nfs/dbraw/zinc/66/31/78/331663178.db2.gz HRGZVQQSGYNTBN-KRWDZBQOSA-N 0 0 301.430 3.250 10 30 DGEERN C=CCC[C@H](C(=O)NCc1ncnn1C(C)C)c1ccccc1 ZINC000299122877 331679546 /nfs/dbraw/zinc/67/95/46/331679546.db2.gz WZRPMCAUVKJMKL-INIZCTEOSA-N 0 0 312.417 3.225 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2cnn(C(C)C)c2)CCOCC1 ZINC000566126185 331981639 /nfs/dbraw/zinc/98/16/39/331981639.db2.gz CJLMMBXZHPJRLN-CQSZACIVSA-N 0 0 305.422 3.014 10 30 DGEERN C=CC[C@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181646885 332205885 /nfs/dbraw/zinc/20/58/85/332205885.db2.gz CDMMDHOFTSFZBU-VIFPVBQESA-N 0 0 308.230 3.377 10 30 DGEERN C=CCOc1ccccc1C(=O)N[C@@H](CO)c1sccc1C ZINC000536465521 332250038 /nfs/dbraw/zinc/25/00/38/332250038.db2.gz QMYGETXFIYHZIW-AWEZNQCLSA-N 0 0 317.410 3.085 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2OC)cc1 ZINC000293771799 335113306 /nfs/dbraw/zinc/11/33/06/335113306.db2.gz YQFUCHUMYGSVCJ-IRXDYDNUSA-N 0 0 303.402 3.073 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)C[C@@H]1C ZINC000562033222 332534032 /nfs/dbraw/zinc/53/40/32/332534032.db2.gz RVRDERCHQATIJL-OLZOCXBDSA-N 0 0 302.447 3.351 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2)cn1 ZINC000570082272 332709276 /nfs/dbraw/zinc/70/92/76/332709276.db2.gz GFGGQDCYCJCGAP-KSSFIOAISA-N 0 0 324.380 3.195 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1c(C)cc(C)cc1C ZINC000570392088 332749208 /nfs/dbraw/zinc/74/92/08/332749208.db2.gz JMDPWPISFJUDMO-RDJZCZTQSA-N 0 0 302.418 3.002 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000185977176 332752520 /nfs/dbraw/zinc/75/25/20/332752520.db2.gz OQBIHBRGGWGMAV-INIZCTEOSA-N 0 0 320.433 3.478 10 30 DGEERN C=CCCCCCNC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000573017779 332761484 /nfs/dbraw/zinc/76/14/84/332761484.db2.gz PZRNSKBREDOHHF-IRXDYDNUSA-N 0 0 302.418 3.250 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000293798750 335117173 /nfs/dbraw/zinc/11/71/73/335117173.db2.gz PBXDCVVIKSHZTL-GFCCVEGCSA-N 0 0 318.392 3.018 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000582105579 333237510 /nfs/dbraw/zinc/23/75/10/333237510.db2.gz NVLHDKGSPFNUKU-MCIONIFRSA-N 0 0 308.447 3.478 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](C)C(C)C ZINC000497802481 333292810 /nfs/dbraw/zinc/29/28/10/333292810.db2.gz XPITVKQGMOUQLG-CQSZACIVSA-N 0 0 308.422 3.152 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1cccc(OC)n1 ZINC000531438915 333353277 /nfs/dbraw/zinc/35/32/77/333353277.db2.gz QXGNRFNIVQMKKJ-UHFFFAOYSA-N 0 0 300.314 3.306 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000188503135 333368952 /nfs/dbraw/zinc/36/89/52/333368952.db2.gz PQZXSGZLHSKTFM-SJKOYZFVSA-N 0 0 308.372 3.262 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188555917 333374482 /nfs/dbraw/zinc/37/44/82/333374482.db2.gz QNKIXZZPGXHTJX-LZLYRXPVSA-N 0 0 322.399 3.429 10 30 DGEERN C=CC1CCN(C(=O)Nc2ccnc(C)c2Br)CC1 ZINC000525847741 333514966 /nfs/dbraw/zinc/51/49/66/333514966.db2.gz HZERPSVEXWZSJW-UHFFFAOYSA-N 0 0 324.222 3.004 10 30 DGEERN C=CC1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 ZINC000110968727 334299105 /nfs/dbraw/zinc/29/91/05/334299105.db2.gz QVCDKNIKAUVAPL-AWEZNQCLSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000341414771 334443787 /nfs/dbraw/zinc/44/37/87/334443787.db2.gz AXIYKBINDQSKKI-OAHLLOKOSA-N 0 0 312.344 3.203 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[C@@H](CO)C2)c1 ZINC000416792905 334679862 /nfs/dbraw/zinc/67/98/62/334679862.db2.gz MOZXOCVWXXWWOA-HUUCEWRRSA-N 0 0 318.417 3.314 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000352535395 336223110 /nfs/dbraw/zinc/22/31/10/336223110.db2.gz QBAXJNBGSFUCTG-CQSZACIVSA-N 0 0 301.434 3.260 10 30 DGEERN C=CCO[C@@H]1CCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000302187393 336353101 /nfs/dbraw/zinc/35/31/01/336353101.db2.gz USBAISPLBQLQEV-GFCCVEGCSA-N 0 0 315.442 3.351 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC000356982697 336568463 /nfs/dbraw/zinc/56/84/63/336568463.db2.gz NSNFUKRLAQFIIB-OAHLLOKOSA-N 0 0 300.427 3.169 10 30 DGEERN C=CCC1(C(=O)NCC[C@@H]2COc3ccccc3O2)CCC1 ZINC000357743015 336596751 /nfs/dbraw/zinc/59/67/51/336596751.db2.gz WTFORHYLBKRVOU-CQSZACIVSA-N 0 0 301.386 3.079 10 30 DGEERN C=CCN(CCC#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000359439584 336673179 /nfs/dbraw/zinc/67/31/79/336673179.db2.gz APKRXNYHIQZRQN-UHFFFAOYSA-N 0 0 313.184 3.300 10 30 DGEERN C=CC[C@@H]1N(c2nnc(C)n2C[C@H]2CCCO2)CCCC1(C)C ZINC000359451354 336673538 /nfs/dbraw/zinc/67/35/38/336673538.db2.gz OJTBQUJFANKOAE-CVEARBPZSA-N 0 0 318.465 3.337 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)N(CC#N)c2ccccc2)c1 ZINC000170948017 337085619 /nfs/dbraw/zinc/08/56/19/337085619.db2.gz JFCPNZNTBQNLOO-QZTJIDSGSA-N 0 0 306.365 3.355 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000582632026 337116366 /nfs/dbraw/zinc/11/63/66/337116366.db2.gz LISBROLITJPZOV-CQSZACIVSA-N 0 0 313.401 3.340 10 30 DGEERN C=CCSCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176282709 337149634 /nfs/dbraw/zinc/14/96/34/337149634.db2.gz FLHLJWADBYXNFE-GFCCVEGCSA-N 0 0 311.476 3.299 10 30 DGEERN N#CCC(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000184567852 337198563 /nfs/dbraw/zinc/19/85/63/337198563.db2.gz MVCCQRLBPSDPCB-UHFFFAOYSA-N 0 0 312.279 3.360 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)cc1 ZINC000185195699 337202563 /nfs/dbraw/zinc/20/25/63/337202563.db2.gz VOXHKZCXNQBRRK-HUUCEWRRSA-N 0 0 301.390 3.225 10 30 DGEERN C=CCCCCCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000583092454 337239768 /nfs/dbraw/zinc/23/97/68/337239768.db2.gz PHBRGJHVBVGCHO-MRXNPFEDSA-N 0 0 314.429 3.440 10 30 DGEERN C=C1CCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000583218031 337276129 /nfs/dbraw/zinc/27/61/29/337276129.db2.gz OSRFKLQVHFDXGL-AWEZNQCLSA-N 0 0 310.401 3.056 10 30 DGEERN C#CCCCNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190905341 337291299 /nfs/dbraw/zinc/29/12/99/337291299.db2.gz VLEVLGMQMHBOQW-ZDUSSCGKSA-N 0 0 306.356 3.267 10 30 DGEERN C=C(Cl)CN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191565366 337299033 /nfs/dbraw/zinc/29/90/33/337299033.db2.gz CAACMXOJULTEHY-UHFFFAOYSA-N 0 0 314.838 3.252 10 30 DGEERN CCc1cccc(Oc2ccc(/C=N/NC(N)=S)cc2)c1F ZINC000584605586 337371592 /nfs/dbraw/zinc/37/15/92/337371592.db2.gz WEMHUUPADMQOMU-VXLYETTFSA-N 0 0 317.389 3.348 10 30 DGEERN CCO/C=C(\I)C(=O)c1ccccc1 ZINC000584625433 337375526 /nfs/dbraw/zinc/37/55/26/337375526.db2.gz RASTVZHZAFCAPE-NTMALXAHSA-N 0 0 302.111 3.182 10 30 DGEERN C=C(C)CN(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O ZINC000584655374 337377831 /nfs/dbraw/zinc/37/78/31/337377831.db2.gz KOJBWXQMAMQBHF-UHFFFAOYSA-N 0 0 316.357 3.011 10 30 DGEERN C=C(Br)C[C@@H](CCCO)OC(=O)c1ccccc1 ZINC000584640014 337379833 /nfs/dbraw/zinc/37/98/33/337379833.db2.gz BEVOXAIVVWGHET-CYBMUJFWSA-N 0 0 313.191 3.283 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000572421086 337635561 /nfs/dbraw/zinc/63/55/61/337635561.db2.gz SPULKPQKXJLWNA-QGZVFWFLSA-N 0 0 303.402 3.331 10 30 DGEERN C=CCOCCCC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000079925459 337638564 /nfs/dbraw/zinc/63/85/64/337638564.db2.gz GZVUWBHDHVMGTR-UHFFFAOYSA-N 0 0 308.447 3.140 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277389694 337666235 /nfs/dbraw/zinc/66/62/35/337666235.db2.gz AKSQPZKQHFSHBA-JTQLQIEISA-N 0 0 312.207 3.373 10 30 DGEERN COC[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000537175308 337907090 /nfs/dbraw/zinc/90/70/90/337907090.db2.gz CJZYJUFZPLVABM-GOSISDBHSA-N 0 0 301.336 3.294 10 30 DGEERN C=CCCCCNC(=O)Cc1ccc(Br)cc1O ZINC000500774576 340066991 /nfs/dbraw/zinc/06/69/91/340066991.db2.gz XCFRXTVSQIXVFQ-UHFFFAOYSA-N 0 0 312.207 3.170 10 30 DGEERN CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000504389693 340146786 /nfs/dbraw/zinc/14/67/86/340146786.db2.gz UZMBJGZBBPQTGT-KBPBESRZSA-N 0 0 309.479 3.386 10 30 DGEERN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000504397347 340146912 /nfs/dbraw/zinc/14/69/12/340146912.db2.gz VIPHUCMPNMOSGU-GJZGRUSLSA-N 0 0 321.465 3.163 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCC(C)(C)C(=O)OC ZINC000505001348 340158343 /nfs/dbraw/zinc/15/83/43/340158343.db2.gz RUQGWOAZGXNEIK-UHFFFAOYSA-N 0 0 304.390 3.126 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1CCO ZINC000505035631 340159442 /nfs/dbraw/zinc/15/94/42/340159442.db2.gz OFMOEHCOOIJWQQ-RDJZCZTQSA-N 0 0 302.418 3.478 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN[C@H](c2ccc(CC)cc2)C1 ZINC000505470099 340169131 /nfs/dbraw/zinc/16/91/31/340169131.db2.gz XMMWNBQOHLWPOI-QAPCUYQASA-N 0 0 300.446 3.324 10 30 DGEERN C=C(C)CCN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000505546041 340170771 /nfs/dbraw/zinc/17/07/71/340170771.db2.gz BBYKOWKPEDHWES-HNNXBMFYSA-N 0 0 310.756 3.212 10 30 DGEERN C=C(C)CCSCC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000507820338 340233181 /nfs/dbraw/zinc/23/31/81/340233181.db2.gz ZZAKDWGMMAWTPM-UHFFFAOYSA-N 0 0 307.415 3.420 10 30 DGEERN COc1cccc([C@H](C)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000508366526 340242984 /nfs/dbraw/zinc/24/29/84/340242984.db2.gz GQNKFJBGFRIFMZ-NFOMZHRRSA-N 0 0 300.402 3.245 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(F)(F)C1 ZINC000508493501 340244760 /nfs/dbraw/zinc/24/47/60/340244760.db2.gz LVFNGJBLUDWATG-UHFFFAOYSA-N 0 0 322.334 3.424 10 30 DGEERN C=CCn1c(-c2ccccn2)nnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000508839648 340254036 /nfs/dbraw/zinc/25/40/36/340254036.db2.gz GUPCYLYGAVUIEW-GJZGRUSLSA-N 0 0 309.417 3.153 10 30 DGEERN C=CCn1c(CCCC)nnc1N(C)Cc1cccc(OC)c1 ZINC000508921799 340255811 /nfs/dbraw/zinc/25/58/11/340255811.db2.gz NEZBRGASKZHSFL-UHFFFAOYSA-N 0 0 314.433 3.452 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)C[C@@H](C)C#N ZINC000508957105 340256221 /nfs/dbraw/zinc/25/62/21/340256221.db2.gz WPOJOPFKSSBRHO-LBPRGKRZSA-N 0 0 313.380 3.175 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000509164551 340262743 /nfs/dbraw/zinc/26/27/43/340262743.db2.gz HTKCGOISBVJJRW-KRWDZBQOSA-N 0 0 304.459 3.279 10 30 DGEERN C=C(C)COCCNC(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000511516302 340329260 /nfs/dbraw/zinc/32/92/60/340329260.db2.gz YRZUOYHJNMWTAJ-UHFFFAOYSA-N 0 0 304.390 3.061 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@H]1C ZINC000511880981 340341592 /nfs/dbraw/zinc/34/15/92/340341592.db2.gz UDFNOKZQXSYPFR-DOMZBBRYSA-N 0 0 303.362 3.091 10 30 DGEERN COc1ccc2nc(C(=O)N[C@H](C#N)C3CCCCC3)ccc2c1 ZINC000176598796 340429060 /nfs/dbraw/zinc/42/90/60/340429060.db2.gz WSIHWQURKARMHO-GOSISDBHSA-N 0 0 323.396 3.446 10 30 DGEERN Cc1ccc(CCC(=O)N[C@@H](C#N)C2CC2)c(Br)c1 ZINC000185352791 340500280 /nfs/dbraw/zinc/50/02/80/340500280.db2.gz MABYUWAJJHNZFL-AWEZNQCLSA-N 0 0 321.218 3.109 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000185805871 340505392 /nfs/dbraw/zinc/50/53/92/340505392.db2.gz VLHKFNMGHNUNMM-AEFFLSMTSA-N 0 0 301.430 3.449 10 30 DGEERN C=CCC1(C(=O)Nc2nc3c(s2)CSCC3)CCOCC1 ZINC000521864225 340537232 /nfs/dbraw/zinc/53/72/32/340537232.db2.gz SVAQZPSHDAYWTF-UHFFFAOYSA-N 0 0 324.471 3.244 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000189845442 340540430 /nfs/dbraw/zinc/54/04/30/340540430.db2.gz RQQKDQAZKATVDR-RHSMWYFYSA-N 0 0 302.418 3.072 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190702813 340546613 /nfs/dbraw/zinc/54/66/13/340546613.db2.gz BDMSBKWEEKFYRH-NWDGAFQWSA-N 0 0 307.356 3.405 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc2c(c1)OCO2 ZINC000192836745 340570290 /nfs/dbraw/zinc/57/02/90/340570290.db2.gz MBUOBSQSYLNXHV-GFCCVEGCSA-N 0 0 323.352 3.364 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000194701020 340594969 /nfs/dbraw/zinc/59/49/69/340594969.db2.gz CKIOQWNKOSGWND-VIFPVBQESA-N 0 0 323.261 3.309 10 30 DGEERN C=C1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000524696675 340661357 /nfs/dbraw/zinc/66/13/57/340661357.db2.gz ATSGLLPBYDNJDB-UHFFFAOYSA-N 0 0 309.369 3.406 10 30 DGEERN C=C(C)CS(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528543299 340723792 /nfs/dbraw/zinc/72/37/92/340723792.db2.gz XLHFRPRNQMPJJV-HNNXBMFYSA-N 0 0 311.422 3.300 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)cc(C)c1OC ZINC000529239662 340749584 /nfs/dbraw/zinc/74/95/84/340749584.db2.gz WWUYTUPKNAAYNW-FZMZJTMJSA-N 0 0 324.808 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529502269 340758173 /nfs/dbraw/zinc/75/81/73/340758173.db2.gz POMCAPNSVDMFAA-ORQFMDKSSA-N 0 0 303.377 3.027 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)OCc1ccccc1 ZINC000126353005 340826367 /nfs/dbraw/zinc/82/63/67/340826367.db2.gz BBLQJRUTDPLYMC-LBPRGKRZSA-N 0 0 301.308 3.169 10 30 DGEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000128791685 340914180 /nfs/dbraw/zinc/91/41/80/340914180.db2.gz HNPXHGINQBJJJX-NSHDSACASA-N 0 0 314.788 3.432 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccc(CC)cc1)C(C)C ZINC000540697963 340941957 /nfs/dbraw/zinc/94/19/57/340941957.db2.gz NMSHENXWSDNCQH-SJORKVTESA-N 0 0 304.434 3.182 10 30 DGEERN CC1(C#N)CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000542816063 341021869 /nfs/dbraw/zinc/02/18/69/341021869.db2.gz XPGRHABJWVSPEJ-UHFFFAOYSA-N 0 0 307.397 3.172 10 30 DGEERN C=CCC(CC=C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000131047695 341057042 /nfs/dbraw/zinc/05/70/42/341057042.db2.gz ZXDVFTFRAZDPAG-JKSUJKDBSA-N 0 0 309.475 3.268 10 30 DGEERN C=CC[C@H](CC)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000545353458 341122859 /nfs/dbraw/zinc/12/28/59/341122859.db2.gz YCXNCTDEYGQKEV-JTQLQIEISA-N 0 0 305.802 3.421 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000545954210 341148283 /nfs/dbraw/zinc/14/82/83/341148283.db2.gz BTEYJLYMUZTFHS-JTQLQIEISA-N 0 0 303.362 3.121 10 30 DGEERN Cc1ccc([C@H](C)NC(=O)Nc2ccn(CCC#N)n2)cc1F ZINC000134001817 341204252 /nfs/dbraw/zinc/20/42/52/341204252.db2.gz ZADSWLKLMACWQS-LBPRGKRZSA-N 0 0 315.352 3.127 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000077185299 341220208 /nfs/dbraw/zinc/22/02/08/341220208.db2.gz UETAWIQDUYUISJ-UHFFFAOYSA-N 0 0 301.390 3.243 10 30 DGEERN C=CCCCN(C)C(=O)Cc1ccc(Br)cc1O ZINC000547745319 341229894 /nfs/dbraw/zinc/22/98/94/341229894.db2.gz CTFNOMNISAKYIL-UHFFFAOYSA-N 0 0 312.207 3.122 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000135091235 341230698 /nfs/dbraw/zinc/23/06/98/341230698.db2.gz CZQBPEAGQLFTJO-UHFFFAOYSA-N 0 0 319.355 3.497 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000135112153 341231311 /nfs/dbraw/zinc/23/13/11/341231311.db2.gz NLPDSHNXSBZXDZ-ZBEGNZNMSA-N 0 0 324.446 3.408 10 30 DGEERN C=CCC[C@H](NC(=O)c1coc(COC)n1)c1ccccc1 ZINC000548164678 341250725 /nfs/dbraw/zinc/25/07/25/341250725.db2.gz JHBYZGAJGGBODD-AWEZNQCLSA-N 0 0 300.358 3.258 10 30 DGEERN CC#CCCNC(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000548180946 341252133 /nfs/dbraw/zinc/25/21/33/341252133.db2.gz ZXPCHKCMTSQOQK-UHFFFAOYSA-N 0 0 313.426 3.331 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000548878939 341279328 /nfs/dbraw/zinc/27/93/28/341279328.db2.gz PNFQDEICCDJGOB-ZBFHGGJFSA-N 0 0 302.418 3.430 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC000548951667 341282134 /nfs/dbraw/zinc/28/21/34/341282134.db2.gz QRDJDHIXWJYJFD-RYUDHWBXSA-N 0 0 304.419 3.054 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(C)CCc1ccc(F)cc1 ZINC000549254279 341289786 /nfs/dbraw/zinc/28/97/86/341289786.db2.gz YCIKTPIEFLJANV-UHFFFAOYSA-N 0 0 302.397 3.235 10 30 DGEERN C=CCN(C)c1nnc(-c2ncccc2C)n1Cc1ccccc1 ZINC000549508781 341295842 /nfs/dbraw/zinc/29/58/42/341295842.db2.gz KQKAFPJSICTJDN-UHFFFAOYSA-N 0 0 319.412 3.319 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC000549685771 341300503 /nfs/dbraw/zinc/30/05/03/341300503.db2.gz RYLQULITKMAVDC-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000549803945 341303432 /nfs/dbraw/zinc/30/34/32/341303432.db2.gz PTBBCFIINBDUET-ROUUACIJSA-N 0 0 301.430 3.449 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)O1 ZINC000245979811 341320954 /nfs/dbraw/zinc/32/09/54/341320954.db2.gz GVCILOLRQZMOKI-WQHBLYJGSA-N 0 0 313.184 3.242 10 30 DGEERN C=CCC(C)(C)c1noc(CCc2nc(C(C)(C)C)no2)n1 ZINC000551136293 341332323 /nfs/dbraw/zinc/33/23/23/341332323.db2.gz KSBLJNDACVFWFK-UHFFFAOYSA-N 0 0 304.394 3.389 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C)(C2CC2)CC1 ZINC000555162415 341476431 /nfs/dbraw/zinc/47/64/31/341476431.db2.gz LBMVNQSGUSHIFY-ZBFHGGJFSA-N 0 0 306.450 3.189 10 30 DGEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C2CC2)C1 ZINC000555273527 341478901 /nfs/dbraw/zinc/47/89/01/341478901.db2.gz VULKWFXVZWEDHB-HNNXBMFYSA-N 0 0 318.465 3.058 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000565153372 341518466 /nfs/dbraw/zinc/51/84/66/341518466.db2.gz PTFDKGSBMOHOLE-HNNXBMFYSA-N 0 0 302.422 3.248 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N(C)C[C@@H](C)CC ZINC000566222182 341551194 /nfs/dbraw/zinc/55/11/94/341551194.db2.gz ZKUMTCACWQAWSV-NSHDSACASA-N 0 0 305.451 3.378 10 30 DGEERN C=CCC[C@@H](NC(=O)c1coc2ccc(F)cc12)C(=O)OCC ZINC000566282050 341552960 /nfs/dbraw/zinc/55/29/60/341552960.db2.gz JBPROTLSJYXPPT-CQSZACIVSA-N 0 0 319.332 3.200 10 30 DGEERN C=CCCCCCNC(=O)NCc1ccc(OC)cc1OC ZINC000566433537 341558018 /nfs/dbraw/zinc/55/80/18/341558018.db2.gz VDTOELZPAYAOAQ-UHFFFAOYSA-N 0 0 306.406 3.249 10 30 DGEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCS[C@@H](C)C1 ZINC000576363896 341842782 /nfs/dbraw/zinc/84/27/82/341842782.db2.gz IFPXAEFJYOSWLO-ZDUSSCGKSA-N 0 0 308.495 3.385 10 30 DGEERN COc1ccc(Nc2ncc(Br)cc2C#N)cc1 ZINC000217262429 1177506350 /nfs/dbraw/zinc/50/63/50/1177506350.db2.gz RLLFUUYOMYGKMX-UHFFFAOYSA-N 0 0 304.147 3.468 10 30 DGEERN C=CCN(CCOC)c1nnc(-c2ccccc2Cl)s1 ZINC000477712929 500577928 /nfs/dbraw/zinc/57/79/28/500577928.db2.gz AAFYDERLPNYUMT-UHFFFAOYSA-N 0 0 309.822 3.497 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000186482826 500579771 /nfs/dbraw/zinc/57/97/71/500579771.db2.gz OPNFVEIEQQWFFL-CYBMUJFWSA-N 0 0 316.323 3.240 10 30 DGEERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000177583525 533800835 /nfs/dbraw/zinc/80/08/35/533800835.db2.gz PWUDTGODLFCVBB-CVEARBPZSA-N 0 0 310.328 3.448 10 30 DGEERN C[C@@H]1C[C@H](CNC(=O)N2CCC[C@@H](c3nccs3)C2)CCO1 ZINC000329118836 533829264 /nfs/dbraw/zinc/82/92/64/533829264.db2.gz OUKJDFQXIZIBNB-MGPQQGTHSA-N 0 0 323.462 3.052 10 30 DGEERN COC(=O)c1ccc(F)c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000160317792 534178149 /nfs/dbraw/zinc/17/81/49/534178149.db2.gz ZOXMSJXAXOEMSO-UHFFFAOYSA-N 0 0 312.300 3.045 10 30 DGEERN C[C@H](NC(=O)CSCC#N)c1ccc(-c2cccnc2)cc1 ZINC000175674115 534201290 /nfs/dbraw/zinc/20/12/90/534201290.db2.gz LEHQREWJRPTQHB-ZDUSSCGKSA-N 0 0 311.410 3.183 10 30 DGEERN C=CCC1(C(=O)N2CCS[C@H]3CCCC[C@H]32)CCOCC1 ZINC000424710449 517321531 /nfs/dbraw/zinc/32/15/31/517321531.db2.gz HZFJFQFFXQZYEI-CABCVRRESA-N 0 0 309.475 3.246 10 30 DGEERN C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)c1cccnc1 ZINC000174736153 534296044 /nfs/dbraw/zinc/29/60/44/534296044.db2.gz QHICVBZSPIKNAX-KXBFYZLASA-N 0 0 307.397 3.216 10 30 DGEERN CC(N=NC(=S)NC1CCCCC1)c1ccc(C#N)cc1 ZINC000008692217 518459541 /nfs/dbraw/zinc/45/95/41/518459541.db2.gz PAMHYPGSRUZDHY-XDHOZWIPSA-N 0 0 300.431 3.490 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCCCc1ccccc1 ZINC000469323494 534358957 /nfs/dbraw/zinc/35/89/57/534358957.db2.gz PPHCEKMAGHFCPV-QZTJIDSGSA-N 0 0 301.430 3.497 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000455584956 534404728 /nfs/dbraw/zinc/40/47/28/534404728.db2.gz BTOSKIQNUUQCDS-CWRNSKLLSA-N 0 0 322.836 3.212 10 30 DGEERN C=C(CC)CNC(=O)N1CC=C(c2cccc(OC)c2)CC1 ZINC000455515661 534406847 /nfs/dbraw/zinc/40/68/47/534406847.db2.gz BLWJQTRWKYNRAQ-UHFFFAOYSA-N 0 0 300.402 3.460 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2cccnc2O1 ZINC000130988229 534414366 /nfs/dbraw/zinc/41/43/66/534414366.db2.gz RLIDTBXXJWHWJA-CYBMUJFWSA-N 0 0 319.364 3.064 10 30 DGEERN C=C1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000487617842 534460444 /nfs/dbraw/zinc/46/04/44/534460444.db2.gz NNYRPABPBVJFPQ-UHFFFAOYSA-N 0 0 315.413 3.174 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](C)Cc2cccc(OC)c2)CC1 ZINC000494697514 534523860 /nfs/dbraw/zinc/52/38/60/534523860.db2.gz QOPAVLVWDGHDDT-AWEZNQCLSA-N 0 0 302.418 3.234 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)C(=O)c1ccc(Br)cc1 ZINC000488881489 534543440 /nfs/dbraw/zinc/54/34/40/534543440.db2.gz WMHFISOIHDIYEC-CYBMUJFWSA-N 0 0 322.202 3.199 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000489880795 534550784 /nfs/dbraw/zinc/55/07/84/534550784.db2.gz FCJKNDJWVOTJCX-UHFFFAOYSA-N 0 0 319.355 3.483 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000459050336 534565840 /nfs/dbraw/zinc/56/58/40/534565840.db2.gz XAPRMYZLJUCVNR-CVEARBPZSA-N 0 0 320.820 3.182 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000455435629 534566363 /nfs/dbraw/zinc/56/63/63/534566363.db2.gz QKNUIQJHIIFQEP-RYRKJORJSA-N 0 0 304.434 3.252 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000451393834 534580465 /nfs/dbraw/zinc/58/04/65/534580465.db2.gz QTLWGCOZYDTWCN-MIGQKNRLSA-N 0 0 305.805 3.293 10 30 DGEERN C=CCC1(C(=O)NC[C@@H]2COc3ccccc3O2)CCCC1 ZINC000449087388 534587791 /nfs/dbraw/zinc/58/77/91/534587791.db2.gz FNUOUUFSYLJLFZ-CQSZACIVSA-N 0 0 301.386 3.079 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000459026703 534598904 /nfs/dbraw/zinc/59/89/04/534598904.db2.gz MFXCVYPABWSMRM-CVEARBPZSA-N 0 0 304.390 3.077 10 30 DGEERN C=CCC1(CNC(=O)N2CC[C@@]3(C2)CCCOC3)CCCC1 ZINC000455481617 534599799 /nfs/dbraw/zinc/59/97/99/534599799.db2.gz RYVWJYISQXOADS-GOSISDBHSA-N 0 0 306.450 3.335 10 30 DGEERN N#CCCN(CC1CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179507235 534638758 /nfs/dbraw/zinc/63/87/58/534638758.db2.gz GUNZFMCHVCCMTE-UHFFFAOYSA-N 0 0 309.373 3.234 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000464756695 534645770 /nfs/dbraw/zinc/64/57/70/534645770.db2.gz ZZINFFMTTIOTCZ-QWRGUYRKSA-N 0 0 311.223 3.254 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000464752069 534641270 /nfs/dbraw/zinc/64/12/70/534641270.db2.gz NZRUNLGAMOWKOR-JTQLQIEISA-N 0 0 309.207 3.091 10 30 DGEERN N#CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000172064920 534660885 /nfs/dbraw/zinc/66/08/85/534660885.db2.gz QGNANDKHXAJRCY-HNNXBMFYSA-N 0 0 306.365 3.500 10 30 DGEERN COc1cc(OC)cc([C@H]2CCN(c3nc(C)ccc3C#N)C2)c1 ZINC000161764511 522887600 /nfs/dbraw/zinc/88/76/00/522887600.db2.gz KVOKBYFTUMXLDK-HNNXBMFYSA-N 0 0 323.396 3.273 10 30 DGEERN N#CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000172896091 534695228 /nfs/dbraw/zinc/69/52/28/534695228.db2.gz BJCDUYWVVOWOMN-ZWKOTPCHSA-N 0 0 312.413 3.422 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000457868725 534704117 /nfs/dbraw/zinc/70/41/17/534704117.db2.gz IKPIPPOFVZBJBY-LBPRGKRZSA-N 0 0 323.234 3.045 10 30 DGEERN CC#CCN(C)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000458642730 534705663 /nfs/dbraw/zinc/70/56/63/534705663.db2.gz 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DGLFGAVTDQQBSL-GRSHGNNSSA-N 0 0 309.398 3.156 10 30 DGEERN N#Cc1ccnc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1 ZINC000436010023 534824238 /nfs/dbraw/zinc/82/42/38/534824238.db2.gz YTDWLFQGBSKRGO-UHFFFAOYSA-N 0 0 311.728 3.021 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC000458741435 534887954 /nfs/dbraw/zinc/88/79/54/534887954.db2.gz STMIRNDKDASOMX-GFCCVEGCSA-N 0 0 321.387 3.009 10 30 DGEERN CC#CCCCC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000185669251 526295950 /nfs/dbraw/zinc/29/59/50/526295950.db2.gz WQMFSQOSWZUAIJ-WMLDXEAASA-N 0 0 303.377 3.308 10 30 DGEERN C=CCN(CCOC)C(=O)c1cnccc1Oc1ccccc1 ZINC000337007645 526299359 /nfs/dbraw/zinc/29/93/59/526299359.db2.gz JJMCESASCMSBHC-UHFFFAOYSA-N 0 0 312.369 3.149 10 30 DGEERN C=CCN(CCOC)c1nnc([C@H]2CCCS2)n1CC(=C)C ZINC000424242258 526307833 /nfs/dbraw/zinc/30/78/33/526307833.db2.gz JJQAWRGGZNXWAF-CQSZACIVSA-N 0 0 322.478 3.061 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)c1scnc1C1CC1 ZINC000352573676 526325535 /nfs/dbraw/zinc/32/55/35/526325535.db2.gz XGLRWBIFXOSYOX-UHFFFAOYSA-N 0 0 302.399 3.484 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cn(C)nc1C ZINC000448587538 526334128 /nfs/dbraw/zinc/33/41/28/526334128.db2.gz LYISNSOXXONHBK-UHFFFAOYSA-N 0 0 323.849 3.201 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@](C)(C#N)CC ZINC000341634363 526348201 /nfs/dbraw/zinc/34/82/01/526348201.db2.gz DPZLBXSZXVCJCV-MRXNPFEDSA-N 0 0 301.346 3.049 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csnc1C ZINC000181865732 526350249 /nfs/dbraw/zinc/35/02/49/526350249.db2.gz ALVUZHPRTUBWJZ-UHFFFAOYSA-N 0 0 317.370 3.188 10 30 DGEERN CC#CCN(C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000341079310 526353841 /nfs/dbraw/zinc/35/38/41/526353841.db2.gz IVESLFLQWDTYFK-UHFFFAOYSA-N 0 0 319.364 3.294 10 30 DGEERN C=CCN(Cc1ccccc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000353385398 526358162 /nfs/dbraw/zinc/35/81/62/526358162.db2.gz MBMQFHOMPQKKLI-UHFFFAOYSA-N 0 0 318.442 3.088 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000340719619 526370467 /nfs/dbraw/zinc/37/04/67/526370467.db2.gz DGWBGENLBOUJGF-ZDUSSCGKSA-N 0 0 324.446 3.178 10 30 DGEERN CC#CCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000443571194 526377001 /nfs/dbraw/zinc/37/70/01/526377001.db2.gz PKFVKIFKFXZNBK-UHFFFAOYSA-N 0 0 320.698 3.426 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1nnn(C(C)C)c1C ZINC000429929630 526377173 /nfs/dbraw/zinc/37/71/73/526377173.db2.gz TWGNVJVGDQBYKW-UHFFFAOYSA-N 0 0 304.419 3.057 10 30 DGEERN C=CCN(Cc1nc(C(F)F)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000425397311 526380549 /nfs/dbraw/zinc/38/05/49/526380549.db2.gz LSHOYVKWGGMUNN-UHFFFAOYSA-N 0 0 324.287 3.104 10 30 DGEERN C=CCN(Cc1conc1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000350803511 526381533 /nfs/dbraw/zinc/38/15/33/526381533.db2.gz SCZMWXVEQQIGIP-UHFFFAOYSA-N 0 0 301.346 3.333 10 30 DGEERN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)cc(C)n1 ZINC000346216531 526412602 /nfs/dbraw/zinc/41/26/02/526412602.db2.gz HZKYHUCIHGRNJS-KRWDZBQOSA-N 0 0 309.369 3.151 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000424721758 526433959 /nfs/dbraw/zinc/43/39/59/526433959.db2.gz MKARMOVSMYGCBW-NSHDSACASA-N 0 0 324.446 3.408 10 30 DGEERN C=C(C)CCSCC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000350768443 526459486 /nfs/dbraw/zinc/45/94/86/526459486.db2.gz XOKXFPSOEWDBMZ-UHFFFAOYSA-N 0 0 320.458 3.091 10 30 DGEERN C=C(C)CCSCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000350748565 526460613 /nfs/dbraw/zinc/46/06/13/526460613.db2.gz QNKXKANTHPSDCK-UHFFFAOYSA-N 0 0 318.442 3.217 10 30 DGEERN C=C(C)CCSCCC(=O)NC(=O)NCc1ccccc1 ZINC000350719295 526460672 /nfs/dbraw/zinc/46/06/72/526460672.db2.gz IJFQOMJAMODKBR-UHFFFAOYSA-N 0 0 306.431 3.102 10 30 DGEERN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc(Cl)c2F)C1=O ZINC000337232569 526471992 /nfs/dbraw/zinc/47/19/92/526471992.db2.gz VOJXBZNHNMHDAE-SMDDNHRTSA-N 0 0 310.800 3.259 10 30 DGEERN C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000349094778 526482676 /nfs/dbraw/zinc/48/26/76/526482676.db2.gz OGXOEMYOJVFSPM-UHFFFAOYSA-N 0 0 316.735 3.251 10 30 DGEERN C=C(C)CN(CC)C(=O)Cc1cscc1Br ZINC000292701955 526531401 /nfs/dbraw/zinc/53/14/01/526531401.db2.gz GOQAKPCKPBQPGV-UHFFFAOYSA-N 0 0 302.237 3.478 10 30 DGEERN C=C(C)CN(C)c1nnc(CCC(C)C)n1C[C@H]1CCCO1 ZINC000339017321 526507735 /nfs/dbraw/zinc/50/77/35/526507735.db2.gz OQQIYZCKSCDHPP-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN C=C(C)CN(CC(=O)NC(C)(C)CC)Cc1cnn(C(C)C)c1 ZINC000352911769 526510104 /nfs/dbraw/zinc/51/01/04/526510104.db2.gz AMIHNVCCTKROCL-UHFFFAOYSA-N 0 0 320.481 3.147 10 30 DGEERN C=CCN1CC[C@H](Sc2nc3ccc(Cl)cc3o2)C1=O ZINC000344608849 526518440 /nfs/dbraw/zinc/51/84/40/526518440.db2.gz ZKYUZOZVOQODFF-LBPRGKRZSA-N 0 0 308.790 3.360 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000340072574 526544382 /nfs/dbraw/zinc/54/43/82/526544382.db2.gz JVLGPJKFJKHUGD-GOSISDBHSA-N 0 0 317.429 3.348 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCC1(F)CCC1 ZINC000358561022 526555051 /nfs/dbraw/zinc/55/50/51/526555051.db2.gz RNUBREFLGOTCDI-UHFFFAOYSA-N 0 0 324.396 3.142 10 30 DGEERN C=C(C)CN(Cc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000352412040 526567974 /nfs/dbraw/zinc/56/79/74/526567974.db2.gz BIAKAGYUQGVTTI-UHFFFAOYSA-N 0 0 310.397 3.447 10 30 DGEERN C=C(C)CNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000428117622 526612930 /nfs/dbraw/zinc/61/29/30/526612930.db2.gz UQWUSTJDIJSTBH-UHFFFAOYSA-N 0 0 321.218 3.405 10 30 DGEERN C=C(C)CNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000161788616 526616294 /nfs/dbraw/zinc/61/62/94/526616294.db2.gz LSYNWXJAUYKRIP-UHFFFAOYSA-N 0 0 315.348 3.388 10 30 DGEERN C=C(C)COCCNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000132770519 526652127 /nfs/dbraw/zinc/65/21/27/526652127.db2.gz FDPKUIHAYUHFDF-UHFFFAOYSA-N 0 0 307.438 3.084 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCC[C@H]2CCOC2)c1 ZINC000345302797 526668013 /nfs/dbraw/zinc/66/80/13/526668013.db2.gz RREBSQPQRBUORZ-AWEZNQCLSA-N 0 0 304.390 3.190 10 30 DGEERN C=C(C)CS(=O)(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000435421633 526673099 /nfs/dbraw/zinc/67/30/99/526673099.db2.gz IWVWTIXYEWFPIA-QGZVFWFLSA-N 0 0 305.443 3.434 10 30 DGEERN C=CCNc1ncc(C(=O)N(C)Cc2ccc(F)cc2)s1 ZINC000178489807 526679272 /nfs/dbraw/zinc/67/92/72/526679272.db2.gz PTPAJKYMIUOHAJ-UHFFFAOYSA-N 0 0 305.378 3.152 10 30 DGEERN CC(C)(C)[C@@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000440991511 526679412 /nfs/dbraw/zinc/67/94/12/526679412.db2.gz OOFGIUMVYPYTNI-FJBKBRRZSA-N 0 0 321.465 3.209 10 30 DGEERN C#CCCCC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000289801617 526679525 /nfs/dbraw/zinc/67/95/25/526679525.db2.gz RPKSFMGEFFWCSB-CQSZACIVSA-N 0 0 301.390 3.194 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)OC ZINC000284150467 526693442 /nfs/dbraw/zinc/69/34/42/526693442.db2.gz PLRIFHZQDWQLLJ-HUUCEWRRSA-N 0 0 303.402 3.179 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000185117277 526694337 /nfs/dbraw/zinc/69/43/37/526694337.db2.gz ALLNMCFMFUVMKC-JKSUJKDBSA-N 0 0 320.477 3.086 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000185067932 526694688 /nfs/dbraw/zinc/69/46/88/526694688.db2.gz QRWGJSBRJCHNPM-HUUCEWRRSA-N 0 0 312.417 3.038 10 30 DGEERN C#CCCCCNC(=O)N1CCC(OCC2CCCC2)CC1 ZINC000155055815 526696497 /nfs/dbraw/zinc/69/64/97/526696497.db2.gz ZETAPQIAROWFIT-UHFFFAOYSA-N 0 0 306.450 3.171 10 30 DGEERN C#CCCCCNC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000155000616 526696721 /nfs/dbraw/zinc/69/67/21/526696721.db2.gz AZBDGEWYLYEVGY-UHFFFAOYSA-N 0 0 317.408 3.215 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000185174336 526699139 /nfs/dbraw/zinc/69/91/39/526699139.db2.gz QGVGCCSQKCLBRC-HUUCEWRRSA-N 0 0 316.445 3.433 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(C(=O)N(CC)CC)cc1 ZINC000185321329 526699501 /nfs/dbraw/zinc/69/95/01/526699501.db2.gz IBZANDKJZLNGTN-OAHLLOKOSA-N 0 0 316.445 3.387 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000152136439 526701958 /nfs/dbraw/zinc/70/19/58/526701958.db2.gz NJOBVGINPJNTMK-HNNXBMFYSA-N 0 0 324.428 3.344 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1nc(C2CC2)c(C(=O)OC)s1 ZINC000186100708 526702997 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C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000341656075 526711956 /nfs/dbraw/zinc/71/19/56/526711956.db2.gz TXHCRWQXWKQVII-JQWIXIFHSA-N 0 0 324.446 3.408 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000185281503 526712126 /nfs/dbraw/zinc/71/21/26/526712126.db2.gz UGPIIHXIWYABKN-KBPBESRZSA-N 0 0 316.401 3.423 10 30 DGEERN C#CCCCNC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000180854275 526714341 /nfs/dbraw/zinc/71/43/41/526714341.db2.gz NMQUCICYXHLPHU-CQSZACIVSA-N 0 0 306.793 3.266 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H]1CSC ZINC000359116948 526719104 /nfs/dbraw/zinc/71/91/04/526719104.db2.gz QZEPKVUGGKWPJW-AWEZNQCLSA-N 0 0 318.446 3.446 10 30 DGEERN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC ZINC000338790291 526720281 /nfs/dbraw/zinc/72/02/81/526720281.db2.gz YMQOJJOVCVSKCY-UHFFFAOYSA-N 0 0 322.416 3.163 10 30 DGEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@H](C2CCC2)C1 ZINC000414535530 526725539 /nfs/dbraw/zinc/72/55/39/526725539.db2.gz IPMOKVWEXWQAHA-INIZCTEOSA-N 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/nfs/dbraw/zinc/80/57/21/526805721.db2.gz CFYRKZVGDSIVRQ-JLSDUUJJSA-N 0 0 317.429 3.208 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1)OCC ZINC000339514642 526806017 /nfs/dbraw/zinc/80/60/17/526806017.db2.gz CFYRKZVGDSIVRQ-WBAXXEDZSA-N 0 0 317.429 3.208 10 30 DGEERN C=C(C)[C@H](CC(=O)N(C)CCc1ccccc1OC)OCC ZINC000339345832 526806180 /nfs/dbraw/zinc/80/61/80/526806180.db2.gz WXQIPGWXBMWHDN-KRWDZBQOSA-N 0 0 305.418 3.067 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000357593419 526852820 /nfs/dbraw/zinc/85/28/20/526852820.db2.gz LOVANNFELMPXPT-UHFFFAOYSA-N 0 0 320.352 3.289 10 30 DGEERN CC(C)(C)c1nc(CS(=O)(=O)CCCCC#N)cs1 ZINC000124918216 526867479 /nfs/dbraw/zinc/86/74/79/526867479.db2.gz UVNFVOZGXURUDH-UHFFFAOYSA-N 0 0 300.449 3.049 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@@H](C)c2cccnc2)cc1 ZINC000355706093 526875168 /nfs/dbraw/zinc/87/51/68/526875168.db2.gz OPSJBUCCSDRDTH-OAHLLOKOSA-N 0 0 310.397 3.456 10 30 DGEERN C=CCOc1ccc(CNC(=O)COc2ccsc2)cc1 ZINC000355740051 526875576 /nfs/dbraw/zinc/87/55/76/526875576.db2.gz KPMFJZGYZHVOQO-UHFFFAOYSA-N 0 0 303.383 3.008 10 30 DGEERN C=CCOc1cccnc1C(=O)N(CC(F)F)CC1CCC1 ZINC000342098548 526953176 /nfs/dbraw/zinc/95/31/76/526953176.db2.gz VHPKNWOTBXAFIE-UHFFFAOYSA-N 0 0 310.344 3.154 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359138682 526958030 /nfs/dbraw/zinc/95/80/30/526958030.db2.gz DJGHPCMBGWRUBR-RDTXWAMCSA-N 0 0 300.402 3.299 10 30 DGEERN C=CC/[NH+]=C(\SCc1ccc(C(=O)[O-])cc1)N1CCCC1 ZINC000367619677 526958802 /nfs/dbraw/zinc/95/88/02/526958802.db2.gz OIKLHYLBBCNKFY-MSUUIHNZSA-N 0 0 304.415 3.256 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000341422054 526959153 /nfs/dbraw/zinc/95/91/53/526959153.db2.gz QLRCQACLORPUON-UHFFFAOYSA-N 0 0 316.307 3.128 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCCCc1nc(C(C)C)no1 ZINC000432075371 527007214 /nfs/dbraw/zinc/00/72/14/527007214.db2.gz FLXIEAKLZQGVBW-UHFFFAOYSA-N 0 0 308.426 3.027 10 30 DGEERN C=CCSc1ccccc1C(=O)N1CCO[C@H](C2CC2)C1 ZINC000362421849 527009186 /nfs/dbraw/zinc/00/91/86/527009186.db2.gz JDKXJZGFDJSKLN-HNNXBMFYSA-N 0 0 303.427 3.216 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000432561196 527010345 /nfs/dbraw/zinc/01/03/45/527010345.db2.gz WZVKFMOPZFUARJ-AWEZNQCLSA-N 0 0 306.381 3.031 10 30 DGEERN C=CCC(CC=C)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375575247 527024373 /nfs/dbraw/zinc/02/43/73/527024373.db2.gz VUOSQOLGPLZWGY-CQSZACIVSA-N 0 0 301.390 3.031 10 30 DGEERN C=CC[C@@H](C)NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000340157040 527029421 /nfs/dbraw/zinc/02/94/21/527029421.db2.gz ABOSPUPRKAKLBV-PBHICJAKSA-N 0 0 303.402 3.004 10 30 DGEERN C=CCC(F)(F)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000293205096 527035432 /nfs/dbraw/zinc/03/54/32/527035432.db2.gz WODUDEYDYLSSTE-UHFFFAOYSA-N 0 0 320.339 3.139 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccc(F)c(F)c2)CCOCC1 ZINC000424558616 527039070 /nfs/dbraw/zinc/03/90/70/527039070.db2.gz FMOMZSQQACJNKU-UHFFFAOYSA-N 0 0 309.356 3.296 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2ccccc2OC)CCOCC1 ZINC000424539486 527039158 /nfs/dbraw/zinc/03/91/58/527039158.db2.gz HNHPZWRIPPFYCU-UHFFFAOYSA-N 0 0 303.402 3.027 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCc2cccc(OC)c2CC1 ZINC000370004090 527041882 /nfs/dbraw/zinc/04/18/82/527041882.db2.gz DCQBTHKVUITOIM-OAHLLOKOSA-N 0 0 302.418 3.160 10 30 DGEERN C=CCC1(C(=O)N2CCO[C@@H](C3CCCCC3)C2)CCOCC1 ZINC000424787901 527046287 /nfs/dbraw/zinc/04/62/87/527046287.db2.gz VICJBEVJXJXYHN-QGZVFWFLSA-N 0 0 321.461 3.167 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344596636 527047049 /nfs/dbraw/zinc/04/70/49/527047049.db2.gz HZZAKPALTXTWOK-LLVKDONJSA-N 0 0 315.373 3.431 10 30 DGEERN C=CCC1(C(=O)N2CCc3ccc(F)c(F)c3C2)CCOCC1 ZINC000424735495 527048636 /nfs/dbraw/zinc/04/86/36/527048636.db2.gz JIFFPYXIPBFUBH-UHFFFAOYSA-N 0 0 321.367 3.222 10 30 DGEERN C=CCC1(C(=O)N2Cc3ccccc3C3(CC3)C2)CCOCC1 ZINC000424763498 527049855 /nfs/dbraw/zinc/04/98/55/527049855.db2.gz AJXWPPSPOZJEFD-UHFFFAOYSA-N 0 0 311.425 3.433 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(Cl)s2)CCOCC1 ZINC000424605869 527053377 /nfs/dbraw/zinc/05/33/77/527053377.db2.gz PLCXUAHGGWALBX-UHFFFAOYSA-N 0 0 313.850 3.433 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(COCC)cc2)CCOCC1 ZINC000424582005 527056744 /nfs/dbraw/zinc/05/67/44/527056744.db2.gz IEVUELWTVBIIAM-UHFFFAOYSA-N 0 0 317.429 3.212 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000341547757 527058580 /nfs/dbraw/zinc/05/85/80/527058580.db2.gz KODSNLPAJPVLQR-OTTFEQOBSA-N 0 0 307.356 3.046 10 30 DGEERN C=CCC1(C(=O)Nc2nc(C(F)(F)F)cs2)CCOCC1 ZINC000425140402 527062394 /nfs/dbraw/zinc/06/23/94/527062394.db2.gz DTSNMNXZZVMGOC-UHFFFAOYSA-N 0 0 320.336 3.473 10 30 DGEERN C=CCCC(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O ZINC000359974312 527079618 /nfs/dbraw/zinc/07/96/18/527079618.db2.gz CWGZTWQOULNDED-UHFFFAOYSA-N 0 0 314.360 3.249 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000185745666 527085975 /nfs/dbraw/zinc/08/59/75/527085975.db2.gz FNFIEISIYDZEJC-HNNXBMFYSA-N 0 0 307.821 3.205 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000185876419 527088589 /nfs/dbraw/zinc/08/85/89/527088589.db2.gz QEPKMSULQLQHIL-NEPJUHHUSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000183733811 527092972 /nfs/dbraw/zinc/09/29/72/527092972.db2.gz DOXZXQFSEDIWAL-WFASDCNBSA-N 0 0 312.360 3.042 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000347691964 527094012 /nfs/dbraw/zinc/09/40/12/527094012.db2.gz VDPAJADYDWKAGL-JKSUJKDBSA-N 0 0 304.434 3.400 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1ncccc1C ZINC000413595896 527109400 /nfs/dbraw/zinc/10/94/00/527109400.db2.gz SNKPDLUQEVOYEF-SFHVURJKSA-N 0 0 323.440 3.419 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CCC2)nc1 ZINC000413992360 527112127 /nfs/dbraw/zinc/11/21/27/527112127.db2.gz XRAIZTLHAGIKNO-SFHVURJKSA-N 0 0 321.424 3.209 10 30 DGEERN C=CC[C@@H]1N(C(=O)Nc2cc(COC)ncn2)CCCC1(C)C ZINC000444908832 527116239 /nfs/dbraw/zinc/11/62/39/527116239.db2.gz GQOVMDUJANDITG-AWEZNQCLSA-N 0 0 318.421 3.222 10 30 DGEERN C=CCCCCCN(C)c1ccc(C(=O)NC2CCCC2)nn1 ZINC000432241358 527131074 /nfs/dbraw/zinc/13/10/74/527131074.db2.gz OVBPCGGPUCWHAZ-UHFFFAOYSA-N 0 0 316.449 3.332 10 30 DGEERN C#CCSCCNC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000159304416 527146162 /nfs/dbraw/zinc/14/61/62/527146162.db2.gz UQUGRSUSBODGPN-UHFFFAOYSA-N 0 0 315.398 3.138 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCCC2=O)c1C(C)C ZINC000331068625 527155334 /nfs/dbraw/zinc/15/53/34/527155334.db2.gz QZCSDROSKUJRGH-LBPRGKRZSA-N 0 0 304.390 3.323 10 30 DGEERN C=CCCCCNC(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000351678369 527160142 /nfs/dbraw/zinc/16/01/42/527160142.db2.gz IYGNAHGRGYKUFF-OAHLLOKOSA-N 0 0 315.421 3.082 10 30 DGEERN C=CCCCCNC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000354236337 527160683 /nfs/dbraw/zinc/16/06/83/527160683.db2.gz LDVABMQBTIPMPD-ZWKOTPCHSA-N 0 0 324.428 3.384 10 30 DGEERN C=CCCCCNC(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000351678368 527161267 /nfs/dbraw/zinc/16/12/67/527161267.db2.gz IYGNAHGRGYKUFF-HNNXBMFYSA-N 0 0 315.421 3.082 10 30 DGEERN C=CCCCCNC(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000433213489 527161674 /nfs/dbraw/zinc/16/16/74/527161674.db2.gz DYTRFKRUSBBCMB-UHFFFAOYSA-N 0 0 318.421 3.330 10 30 DGEERN C=CCCCCNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000354125333 527166947 /nfs/dbraw/zinc/16/69/47/527166947.db2.gz QUVVJCQNQZJKCL-UHFFFAOYSA-N 0 0 302.374 3.271 10 30 DGEERN C=CCCCCNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000347019215 527167823 /nfs/dbraw/zinc/16/78/23/527167823.db2.gz GUCGTQGCEJEJLZ-CYBMUJFWSA-N 0 0 308.447 3.432 10 30 DGEERN CC(=O)c1c[nH]c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000352224817 527180194 /nfs/dbraw/zinc/18/01/94/527180194.db2.gz CSFAYGSSBLQCKV-INIZCTEOSA-N 0 0 309.369 3.382 10 30 DGEERN C=CCCCN(C)C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000345253878 527181148 /nfs/dbraw/zinc/18/11/48/527181148.db2.gz HWEVIABSDYMGEH-HNNXBMFYSA-N 0 0 314.351 3.304 10 30 DGEERN C=CCCCN(C)C(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000131277002 527181477 /nfs/dbraw/zinc/18/14/77/527181477.db2.gz ZWXWTNBPBRFLON-UHFFFAOYSA-N 0 0 305.418 3.406 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120861953 527187168 /nfs/dbraw/zinc/18/71/68/527187168.db2.gz ZWSNXCFRACNHPK-UHFFFAOYSA-N 0 0 305.353 3.140 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000133099001 527187385 /nfs/dbraw/zinc/18/73/85/527187385.db2.gz FKWURNAHIHVNER-UHFFFAOYSA-N 0 0 305.403 3.161 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(=O)[nH]c2c(F)cc(C)cc12 ZINC000182060854 527190013 /nfs/dbraw/zinc/19/00/13/527190013.db2.gz BSOLJJFTSLLKFY-UHFFFAOYSA-N 0 0 302.349 3.426 10 30 DGEERN C=CCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182060880 527190549 /nfs/dbraw/zinc/19/05/49/527190549.db2.gz JDCPAKSTYZGQJQ-UHFFFAOYSA-N 0 0 314.288 3.234 10 30 DGEERN C=CCCCN(C)C(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC000076491058 527191118 /nfs/dbraw/zinc/19/11/18/527191118.db2.gz BXQUJOPCSOWWSH-CYBMUJFWSA-N 0 0 321.442 3.378 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000346316625 527196287 /nfs/dbraw/zinc/19/62/87/527196287.db2.gz BESRKYFUQWJPEQ-HUUCEWRRSA-N 0 0 316.445 3.078 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCCCC)cc1C ZINC000184533925 527202819 /nfs/dbraw/zinc/20/28/19/527202819.db2.gz VFPUROZFAVLWBT-CQSZACIVSA-N 0 0 306.406 3.232 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000441957826 527203581 /nfs/dbraw/zinc/20/35/81/527203581.db2.gz VAMZAZZOYBANHB-VXGBXAGGSA-N 0 0 323.462 3.107 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000185695334 527206871 /nfs/dbraw/zinc/20/68/71/527206871.db2.gz DMKUNVUDTFFEGC-CYBMUJFWSA-N 0 0 323.820 3.328 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCSCC1 ZINC000413811374 527216055 /nfs/dbraw/zinc/21/60/55/527216055.db2.gz AZJOVPUZMGACKU-MRXNPFEDSA-N 0 0 304.459 3.322 10 30 DGEERN C=CC[C@H]1N(C(=O)Nc2cc(COC)ncn2)CCCC1(C)C ZINC000444908833 527225534 /nfs/dbraw/zinc/22/55/34/527225534.db2.gz GQOVMDUJANDITG-CQSZACIVSA-N 0 0 318.421 3.222 10 30 DGEERN C=CCc1cc(C)cc(OC)c1OCc1cnc(OC)nc1C ZINC000337234840 527235282 /nfs/dbraw/zinc/23/52/82/527235282.db2.gz XJCRWCSTOAPEHF-UHFFFAOYSA-N 0 0 314.385 3.418 10 30 DGEERN C=CCc1cc(CNC(=O)N[C@H]2CC[C@@H]2C)cc(OC)c1OC ZINC000347818139 527240980 /nfs/dbraw/zinc/24/09/80/527240980.db2.gz TVKNCBRBQKZVDY-WFASDCNBSA-N 0 0 318.417 3.030 10 30 DGEERN C=CCc1ccc(OCC(=O)NC2(CC)CCC2)c(OC)c1 ZINC000178585659 527249784 /nfs/dbraw/zinc/24/97/84/527249784.db2.gz BFQVAHOGIMPADT-UHFFFAOYSA-N 0 0 303.402 3.251 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CC1 ZINC000191923662 527257085 /nfs/dbraw/zinc/25/70/85/527257085.db2.gz DEDLOKGDROEPFC-UHFFFAOYSA-N 0 0 300.402 3.003 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC12CC2 ZINC000425802634 527257461 /nfs/dbraw/zinc/25/74/61/527257461.db2.gz PRNWPAHXGOTAFG-HNNXBMFYSA-N 0 0 312.413 3.146 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1COCCO1 ZINC000355593459 527259002 /nfs/dbraw/zinc/25/90/02/527259002.db2.gz CLEMFISRYPVKMF-OAHLLOKOSA-N 0 0 318.417 3.075 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000181102817 527261478 /nfs/dbraw/zinc/26/14/78/527261478.db2.gz LDUGTUGBPUVZAC-CQSZACIVSA-N 0 0 304.438 3.054 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000338482947 527268012 /nfs/dbraw/zinc/26/80/12/527268012.db2.gz KIEOGXOEJMJNCL-CQSZACIVSA-N 0 0 313.405 3.193 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000352237615 527276560 /nfs/dbraw/zinc/27/65/60/527276560.db2.gz KENUJYDPVDFDDX-HOTGVXAUSA-N 0 0 316.445 3.375 10 30 DGEERN C=CCn1c(-c2cccnc2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000350798376 527277302 /nfs/dbraw/zinc/27/73/02/527277302.db2.gz PKYDSBIEKVUFSB-AWEZNQCLSA-N 0 0 309.417 3.295 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1ccccc1OC ZINC000337815076 527279091 /nfs/dbraw/zinc/27/90/91/527279091.db2.gz NMYAWGWVZSMYET-UHFFFAOYSA-N 0 0 324.384 3.369 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000351170025 527280983 /nfs/dbraw/zinc/28/09/83/527280983.db2.gz RVHGUEFSYNGYJO-RYUDHWBXSA-N 0 0 304.419 3.054 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000351170019 527281421 /nfs/dbraw/zinc/28/14/21/527281421.db2.gz RVHGUEFSYNGYJO-NEPJUHHUSA-N 0 0 304.419 3.054 10 30 DGEERN CC(=O)c1ccc(NC(=O)NC[C@@]2(C)CCOC2)cc1Cl ZINC000330831531 527287704 /nfs/dbraw/zinc/28/77/04/527287704.db2.gz UPQYNLXWBYCPSL-OAHLLOKOSA-N 0 0 310.781 3.295 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000342789228 527292147 /nfs/dbraw/zinc/29/21/47/527292147.db2.gz PFKOGAJDTQZPHJ-UONOGXRCSA-N 0 0 319.453 3.110 10 30 DGEERN C=CCCC[C@H](C)NC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000343357227 527293067 /nfs/dbraw/zinc/29/30/67/527293067.db2.gz KJDHTKLNQWHKRO-DZGCQCFKSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCCC[C@H](C)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000344663432 527296376 /nfs/dbraw/zinc/29/63/76/527296376.db2.gz HXXKJJDDUGKHTM-JTQLQIEISA-N 0 0 322.352 3.124 10 30 DGEERN C=CCn1c(C)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000337910993 527300197 /nfs/dbraw/zinc/30/01/97/527300197.db2.gz PWQGNQNWLLQDQI-LLVKDONJSA-N 0 0 302.344 3.187 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(CCC)C[C@@H]1CCCCO1 ZINC000350796568 527305468 /nfs/dbraw/zinc/30/54/68/527305468.db2.gz OQOZWQCMTSZQGO-HNNXBMFYSA-N 0 0 304.438 3.127 10 30 DGEERN C=CCn1c(C2CCC2)nnc1N1CCC(OCC(C)C)CC1 ZINC000337823568 527308453 /nfs/dbraw/zinc/30/84/53/527308453.db2.gz UCSFXCUKOIYJHZ-UHFFFAOYSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c(CC(C)C)nnc1N1CCCC[C@H](CCOC)C1 ZINC000350623397 527311151 /nfs/dbraw/zinc/31/11/51/527311151.db2.gz OLFLDAXMGICPFR-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC2(C1)CCOCC2 ZINC000337856267 527315560 /nfs/dbraw/zinc/31/55/60/527315560.db2.gz LKGWERQCAOLPKA-UHFFFAOYSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCCN(C)C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000344289512 527315730 /nfs/dbraw/zinc/31/57/30/527315730.db2.gz VYFVMEFAMWLVDJ-UHFFFAOYSA-N 0 0 310.397 3.102 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC000351070871 527315774 /nfs/dbraw/zinc/31/57/74/527315774.db2.gz BRZYLKHKWOKHNM-GOSISDBHSA-N 0 0 318.465 3.060 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC000350731040 527316110 /nfs/dbraw/zinc/31/61/10/527316110.db2.gz XXPHHEFBFYHMQG-HZPDHXFCSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CC(C)C ZINC000350602652 527319910 /nfs/dbraw/zinc/31/99/10/527319910.db2.gz XECWTKREKHPRIK-UHFFFAOYSA-N 0 0 302.422 3.325 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(C=C)CC1 ZINC000337908529 527320076 /nfs/dbraw/zinc/32/00/76/527320076.db2.gz OIWNYBZTSJBATO-UHFFFAOYSA-N 0 0 312.417 3.245 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000350741386 527321045 /nfs/dbraw/zinc/32/10/45/527321045.db2.gz OOHUYZKVUJNGAF-GJZGRUSLSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](CC)C1 ZINC000337863529 527321234 /nfs/dbraw/zinc/32/12/34/527321234.db2.gz OOYTVRVEAJTWDD-AWEZNQCLSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCCNc1cc(Br)ccc1OCCOC ZINC000349229169 527327566 /nfs/dbraw/zinc/32/75/66/527327566.db2.gz ZSKUKKLZTMHJOX-UHFFFAOYSA-N 0 0 300.196 3.462 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000350740340 527328234 /nfs/dbraw/zinc/32/82/34/527328234.db2.gz ANRLVNQWKBHRKG-UONOGXRCSA-N 0 0 300.431 3.105 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)C1CC1 ZINC000351164498 527328319 /nfs/dbraw/zinc/32/83/19/527328319.db2.gz KESDRCNRJFVUQV-GFCCVEGCSA-N 0 0 302.447 3.351 10 30 DGEERN C=CCn1c(Cn2ccc3ccccc32)nnc1N(CC)C1CC1 ZINC000351159407 527329204 /nfs/dbraw/zinc/32/92/04/527329204.db2.gz DIFJEPOEQDXNKO-UHFFFAOYSA-N 0 0 321.428 3.456 10 30 DGEERN C=CCn1c(=O)[nH]nc1SC[C@H]1CCc2ccccc2C1 ZINC000354515294 527331670 /nfs/dbraw/zinc/33/16/70/527331670.db2.gz XTUPIOZSMIBWSB-LBPRGKRZSA-N 0 0 301.415 3.067 10 30 DGEERN C=CCCOCCNC(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000413396636 527347485 /nfs/dbraw/zinc/34/74/85/527347485.db2.gz FIXRDFZRGOHBHZ-UHFFFAOYSA-N 0 0 316.445 3.198 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC ZINC000337909296 527352001 /nfs/dbraw/zinc/35/20/01/527352001.db2.gz OVFJSWRXQBCELG-ZIAGYGMSSA-N 0 0 306.454 3.229 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159565206 527370972 /nfs/dbraw/zinc/37/09/72/527370972.db2.gz DOAGKJAJRKYLSA-AWEZNQCLSA-N 0 0 303.377 3.423 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1ccccc1OC1CCC1 ZINC000118266319 527380152 /nfs/dbraw/zinc/38/01/52/527380152.db2.gz GDNHCZGEMFNKSA-AWEZNQCLSA-N 0 0 303.402 3.215 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000340767234 527386882 /nfs/dbraw/zinc/38/68/82/527386882.db2.gz GIRUFPCIESXLNL-NSHDSACASA-N 0 0 315.364 3.396 10 30 DGEERN C=CCCO[C@@H](C)c1nc(CCn2cnc3ccccc32)no1 ZINC000355589828 527388159 /nfs/dbraw/zinc/38/81/59/527388159.db2.gz VCHQUXBKJNIKKE-ZDUSSCGKSA-N 0 0 312.373 3.316 10 30 DGEERN C=C[C@@H](CC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000134994070 527419573 /nfs/dbraw/zinc/41/95/73/527419573.db2.gz YVNKHEUHKOLRSL-DOTOQJQBSA-N 0 0 309.413 3.096 10 30 DGEERN CC(=O)c1cnc(NC(=O)C[C@@H](CC#N)c2ccccc2)s1 ZINC000356148733 527421838 /nfs/dbraw/zinc/42/18/38/527421838.db2.gz IPUVPFRBQSXRGV-CYBMUJFWSA-N 0 0 313.382 3.372 10 30 DGEERN C=CCC[C@@H](C(=O)NCC1(CCO)CCC1)c1ccccc1 ZINC000427759524 527421913 /nfs/dbraw/zinc/42/19/13/527421913.db2.gz DVZXOANBGKDQLB-QGZVFWFLSA-N 0 0 301.430 3.405 10 30 DGEERN C=CCC[C@@H]1NC(=O)N(Cc2ccc(F)cc2CSC)C1=O ZINC000419926919 527458942 /nfs/dbraw/zinc/45/89/42/527458942.db2.gz BVQQGWWCQWGBNI-AWEZNQCLSA-N 0 0 322.405 3.075 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000291257448 527463293 /nfs/dbraw/zinc/46/32/93/527463293.db2.gz KOASYZOCOJOUBW-CQSZACIVSA-N 0 0 323.440 3.348 10 30 DGEERN C=CCC[C@H](C(=O)NCC[C@@H](C)[S@](C)=O)c1ccccc1 ZINC000427767690 527463923 /nfs/dbraw/zinc/46/39/23/527463923.db2.gz CPYVFXWOESZZFB-ZJTDPSCFSA-N 0 0 307.459 3.010 10 30 DGEERN C=CCC[C@H](CC)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000186678349 527466702 /nfs/dbraw/zinc/46/67/02/527466702.db2.gz OYLCWCBDDZQMJO-ZDUSSCGKSA-N 0 0 308.447 3.165 10 30 DGEERN C=CCC[C@H](NC(=O)NCC[C@@H]1CCOC1)c1ccccc1 ZINC000343885362 527478507 /nfs/dbraw/zinc/47/85/07/527478507.db2.gz FDYWKNPBFUNWTJ-WBVHZDCISA-N 0 0 302.418 3.420 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000424931008 527492914 /nfs/dbraw/zinc/49/29/14/527492914.db2.gz IIMUJNFPLGHOCX-WFASDCNBSA-N 0 0 323.820 3.205 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCCCc1ccc(C)cc1 ZINC000424933393 527493230 /nfs/dbraw/zinc/49/32/30/527493230.db2.gz QHLFLNHXPWFBIU-ROUUACIJSA-N 0 0 301.430 3.415 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](c2cccc(C)c2)C1 ZINC000425564501 527494784 /nfs/dbraw/zinc/49/47/84/527494784.db2.gz LYHTULDSBUWZQF-BZSNNMDCSA-N 0 0 314.429 3.085 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CCSC)cc1 ZINC000425655611 527495664 /nfs/dbraw/zinc/49/56/64/527495664.db2.gz RRWDNLORNPTOAE-HOCLYGCPSA-N 0 0 320.458 3.305 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1COC(C)(C)C ZINC000424930452 527497779 /nfs/dbraw/zinc/49/77/79/527497779.db2.gz FUKIRFOZNKKVMD-YOEHRIQHSA-N 0 0 317.429 3.323 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)cc1C(F)(F)F ZINC000424935815 527498035 /nfs/dbraw/zinc/49/80/35/527498035.db2.gz ZIUFRMDNARGDCS-ZANVPECISA-N 0 0 317.282 3.165 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCc1noc(C2CC2)n1 ZINC000337596934 527509233 /nfs/dbraw/zinc/50/92/33/527509233.db2.gz JYJOPHSCBYYLBI-UHFFFAOYSA-N 0 0 312.373 3.387 10 30 DGEERN C=CCN(C(=O)C1CCCC1)c1nc(C(=O)OCC)cs1 ZINC000337070628 527533467 /nfs/dbraw/zinc/53/34/67/527533467.db2.gz WVIIEUWXBNMUSX-UHFFFAOYSA-N 0 0 308.403 3.029 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000359435924 527538278 /nfs/dbraw/zinc/53/82/78/527538278.db2.gz GGKCVHWVWCEHDL-QZTJIDSGSA-N 0 0 323.383 3.402 10 30 DGEERN C=CCN(C(=O)c1cccc(COC2CCOCC2)c1)C1CC1 ZINC000357508669 527551105 /nfs/dbraw/zinc/55/11/05/527551105.db2.gz DVOXCVRIXNBQKB-UHFFFAOYSA-N 0 0 315.413 3.173 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H](C)c1c(C)noc1C ZINC000133886176 527586305 /nfs/dbraw/zinc/58/63/05/527586305.db2.gz PUBOQMQLRKWHCZ-VIFPVBQESA-N 0 0 304.312 3.362 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1oc(CC(C)C)nc1C ZINC000188661445 527589105 /nfs/dbraw/zinc/58/91/05/527589105.db2.gz OEQJRCORPAKGLI-UHFFFAOYSA-N 0 0 304.312 3.372 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338161377 527608490 /nfs/dbraw/zinc/60/84/90/527608490.db2.gz ZNVXQAPYKXYEGL-RTBURBONSA-N 0 0 301.430 3.141 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313085 527612788 /nfs/dbraw/zinc/61/27/88/527612788.db2.gz OTRFRVUZZCQKQP-INIZCTEOSA-N 0 0 318.848 3.330 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000353485596 527616512 /nfs/dbraw/zinc/61/65/12/527616512.db2.gz CKFSKSRSZUYKPQ-FUHWJXTLSA-N 0 0 309.450 3.023 10 30 DGEERN C=CCN(CC=C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155631805 527620609 /nfs/dbraw/zinc/62/06/09/527620609.db2.gz VKSLAZKMQHXKEF-UHFFFAOYSA-N 0 0 305.447 3.101 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000428060909 527622394 /nfs/dbraw/zinc/62/23/94/527622394.db2.gz FNFLZFQHAKKDOA-MRXNPFEDSA-N 0 0 319.430 3.316 10 30 DGEERN CC(C)(C)C1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000172296245 527633668 /nfs/dbraw/zinc/63/36/68/527633668.db2.gz ILYREFWPDBYLEQ-UHFFFAOYSA-N 0 0 314.429 3.416 10 30 DGEERN C=CCN(CCC#N)C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000359427341 527657332 /nfs/dbraw/zinc/65/73/32/527657332.db2.gz LWLLOQYGKKIXLD-UHFFFAOYSA-N 0 0 318.327 3.053 10 30 DGEERN C=CCN(CCC#N)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000359403607 527657631 /nfs/dbraw/zinc/65/76/31/527657631.db2.gz PJKIEQPPQJZLTA-UHFFFAOYSA-N 0 0 322.368 3.156 10 30 DGEERN CC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000329660761 527902554 /nfs/dbraw/zinc/90/25/54/527902554.db2.gz OGUBLHVKJMVWFF-KKUMJFAQSA-N 0 0 314.433 3.371 10 30 DGEERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000441013869 527906943 /nfs/dbraw/zinc/90/69/43/527906943.db2.gz OGSDCWXGVLDDCX-SJJHQCBESA-N 0 0 321.465 3.067 10 30 DGEERN CC1(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)CCC1 ZINC000176969407 527965870 /nfs/dbraw/zinc/96/58/70/527965870.db2.gz SIZNFJDRXUWOOS-UHFFFAOYSA-N 0 0 309.316 3.471 10 30 DGEERN CC(C)C[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000441030014 528602821 /nfs/dbraw/zinc/60/28/21/528602821.db2.gz GTVAVVQABUAHGE-BACDZXNISA-N 0 0 321.465 3.209 10 30 DGEERN CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000330261224 528676080 /nfs/dbraw/zinc/67/60/80/528676080.db2.gz OYMCSMQOMTWYFS-HUUCEWRRSA-N 0 0 317.433 3.274 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134286620 528748282 /nfs/dbraw/zinc/74/82/82/528748282.db2.gz BGSCPXIHMKJTLA-AWEZNQCLSA-N 0 0 302.422 3.008 10 30 DGEERN CCCc1nc([C@@H](Nc2cccc(C#N)n2)c2ccccc2)no1 ZINC000301816100 528755721 /nfs/dbraw/zinc/75/57/21/528755721.db2.gz DJNWIRMCBZHUPT-KRWDZBQOSA-N 0 0 319.368 3.490 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1NC(=O)OC(C)(C)C ZINC000179240712 529269800 /nfs/dbraw/zinc/26/98/00/529269800.db2.gz RMPFIRARAZEOFO-NSHDSACASA-N 0 0 303.362 3.066 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000458146260 535163189 /nfs/dbraw/zinc/16/31/89/535163189.db2.gz TVQFQESKANZBAJ-UXLLHSPISA-N 0 0 300.402 3.122 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000182805809 546168506 /nfs/dbraw/zinc/16/85/06/546168506.db2.gz QRTBOALTTBUJTR-KOLCDFICSA-N 0 0 317.216 3.291 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000185223743 546186484 /nfs/dbraw/zinc/18/64/84/546186484.db2.gz CDFLMPYRUNMDEH-PBHICJAKSA-N 0 0 304.434 3.182 10 30 DGEERN O=C(NCc1ccc(Cl)cn1)N1CCC[C@@H]1C1CCOCC1 ZINC000329409869 546485758 /nfs/dbraw/zinc/48/57/58/546485758.db2.gz BRVAYVDXQNRQPJ-OAHLLOKOSA-N 0 0 323.824 3.040 10 30 DGEERN Cc1nc([C@H](C)[NH+]=C([O-])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cs1 ZINC000330077351 546494493 /nfs/dbraw/zinc/49/44/93/546494493.db2.gz HLPMYFWITFAMIS-DOXNRDAMSA-N 0 0 313.426 3.354 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000330044399 546494774 /nfs/dbraw/zinc/49/47/74/546494774.db2.gz HRUHOYGOCWNOGT-XQLPTFJDSA-N 0 0 312.369 3.210 10 30 DGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333527101 546507613 /nfs/dbraw/zinc/50/76/13/546507613.db2.gz PFFLTCZCDHXIPJ-BRUJONNXSA-N 0 0 324.424 3.220 10 30 DGEERN C=CCC(C)(C)c1noc(C(C)(C)NC(=O)COC(C)(C)C)n1 ZINC000351449415 546639981 /nfs/dbraw/zinc/63/99/81/546639981.db2.gz KFQYJESMHORUJS-UHFFFAOYSA-N 0 0 323.437 3.090 10 30 DGEERN Cc1c(Br)cc(Br)c2ncc(C#N)n21 ZINC000675072251 548149971 /nfs/dbraw/zinc/14/99/71/548149971.db2.gz AMTLUTDQHHUWCA-UHFFFAOYSA-N 0 0 314.968 3.039 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000730428461 574528976 /nfs/dbraw/zinc/52/89/76/574528976.db2.gz DTJMDRRCRMQRSD-GXFFZTMASA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000730405580 574529039 /nfs/dbraw/zinc/52/90/39/574529039.db2.gz YKSJCEBQKJTDRA-OAHLLOKOSA-N 0 0 310.349 3.209 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@H](C)OCCC=C)cc1 ZINC000730428879 574529083 /nfs/dbraw/zinc/52/90/83/574529083.db2.gz HPSYGPXCXPEYKV-GJZGRUSLSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](C)OCC(C)C)c1 ZINC000730699401 574533985 /nfs/dbraw/zinc/53/39/85/574533985.db2.gz FBCCSZBAPLDPBH-HUUCEWRRSA-N 0 0 304.386 3.364 10 30 DGEERN C#Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2Cl)cn1 ZINC000730496326 574530129 /nfs/dbraw/zinc/53/01/29/574530129.db2.gz JGEHEDLUVWVDSE-UHFFFAOYSA-N 0 0 302.736 3.128 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)[C@H](C)OCC(C)C)c1 ZINC000730699399 574534148 /nfs/dbraw/zinc/53/41/48/574534148.db2.gz FBCCSZBAPLDPBH-CABCVRRESA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)c2ccc(COC)o2)c1 ZINC000730700313 574534217 /nfs/dbraw/zinc/53/42/17/574534217.db2.gz RFNORUKJJOUSRZ-ZDUSSCGKSA-N 0 0 314.337 3.356 10 30 DGEERN C#CCOc1ccc(NC(=O)NCCc2ccsc2)cc1 ZINC000731113394 574543748 /nfs/dbraw/zinc/54/37/48/574543748.db2.gz VKEWVOPUMDZCBP-UHFFFAOYSA-N 0 0 300.383 3.124 10 30 DGEERN C=CCN(C(=O)c1n[nH]c2ccc(Br)cc21)C(C)C ZINC000732072600 574566092 /nfs/dbraw/zinc/56/60/92/574566092.db2.gz NITIYZYTZGDAQV-UHFFFAOYSA-N 0 0 322.206 3.362 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)/C=C\C1CCOCC1 ZINC000732709516 574579320 /nfs/dbraw/zinc/57/93/20/574579320.db2.gz DDSKHFXOLNMOFO-CDNLZTBQSA-N 0 0 314.381 3.286 10 30 DGEERN CCCCCCCCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732649645 574577854 /nfs/dbraw/zinc/57/78/54/574577854.db2.gz MSSDYQKXLLIKTN-KRWDZBQOSA-N 0 0 305.466 3.326 10 30 DGEERN C#CCCNC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000733336038 574617410 /nfs/dbraw/zinc/61/74/10/574617410.db2.gz MTDBKENPBVMKHN-UHFFFAOYSA-N 0 0 303.362 3.018 10 30 DGEERN C#CCCNC(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000733355418 574617522 /nfs/dbraw/zinc/61/75/22/574617522.db2.gz FBJLZCAGOUJXEG-UHFFFAOYSA-N 0 0 306.356 3.099 10 30 DGEERN C#CCCNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000733355514 574617581 /nfs/dbraw/zinc/61/75/81/574617581.db2.gz AFFAUTRQLHBYLQ-UHFFFAOYSA-N 0 0 304.821 3.474 10 30 DGEERN C#CCCNC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000733624221 574632714 /nfs/dbraw/zinc/63/27/14/574632714.db2.gz KKOQFGSDJQQYEB-UHFFFAOYSA-N 0 0 308.381 3.453 10 30 DGEERN CC(=NNc1ccc(S(C)(=O)=O)cc1)c1sccc1C ZINC000733747674 574636688 /nfs/dbraw/zinc/63/66/88/574636688.db2.gz VYGRQUGWXYYZNU-UHFFFAOYSA-N 0 0 308.428 3.296 10 30 DGEERN C#CC(C)(C)NC(=O)CCOc1cccc(Cl)c1Cl ZINC000733976393 574645380 /nfs/dbraw/zinc/64/53/80/574645380.db2.gz AQMRYLSBIRCHPV-UHFFFAOYSA-N 0 0 300.185 3.290 10 30 DGEERN CC[C@@H](CC1CCCCC1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000733934880 574643872 /nfs/dbraw/zinc/64/38/72/574643872.db2.gz LNYHCOOIYOCJNG-WMZOPIPTSA-N 0 0 317.477 3.182 10 30 DGEERN C=C(COC(=O)c1ccc(SC(C)C)cc1)C(=O)OCC ZINC000734029566 574647783 /nfs/dbraw/zinc/64/77/83/574647783.db2.gz NZWAWDIMJZFJIP-UHFFFAOYSA-N 0 0 308.399 3.463 10 30 DGEERN C=C(COC(=O)[C@@H](Sc1ccccc1)C(C)C)C(=O)OCC ZINC000734030359 574647818 /nfs/dbraw/zinc/64/78/18/574647818.db2.gz RNXJTCSAWVMJHU-HNNXBMFYSA-N 0 0 322.426 3.466 10 30 DGEERN O=C1c2ccc(F)cc2C/C1=C/c1ccc(-n2cncn2)cc1 ZINC000734304954 574655561 /nfs/dbraw/zinc/65/55/61/574655561.db2.gz BVPIVFKJMDRSQO-AUWJEWJLSA-N 0 0 305.312 3.229 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)C[C@H](C)c1cccnc1 ZINC000734421655 574661365 /nfs/dbraw/zinc/66/13/65/574661365.db2.gz CQRPVMYYXXKSHU-AWEZNQCLSA-N 0 0 323.396 3.130 10 30 DGEERN C=CC[C@@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1ccncc1 ZINC000734455980 574662564 /nfs/dbraw/zinc/66/25/64/574662564.db2.gz PQYTULWUOJWNSB-GOSISDBHSA-N 0 0 320.392 3.187 10 30 DGEERN C=C(Br)CNC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000734524013 574666600 /nfs/dbraw/zinc/66/66/00/574666600.db2.gz GNTVWMFBUFWBCW-JQWIXIFHSA-N 0 0 303.244 3.411 10 30 DGEERN COC(=O)[C@H](C)CSCc1cc(Cl)ccc1OCC#N ZINC000735233711 574691522 /nfs/dbraw/zinc/69/15/22/574691522.db2.gz AFFFDWCVNVQGPL-SNVBAGLBSA-N 0 0 313.806 3.285 10 30 DGEERN CC(C)SCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735340949 574698764 /nfs/dbraw/zinc/69/87/64/574698764.db2.gz LJHOBJVJEZVSSV-UHFFFAOYSA-N 0 0 313.806 3.427 10 30 DGEERN Cc1noc(C)c1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735337255 574698839 /nfs/dbraw/zinc/69/88/39/574698839.db2.gz KRQXHZLXJWTMOK-UHFFFAOYSA-N 0 0 320.732 3.204 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1O ZINC000735334006 574698939 /nfs/dbraw/zinc/69/89/39/574698939.db2.gz QZQGUTIVTQNCPN-UHFFFAOYSA-N 0 0 317.728 3.305 10 30 DGEERN C=CCc1ccccc1OS(=O)(=O)Cc1cccc(OC)c1 ZINC000735492893 574704037 /nfs/dbraw/zinc/70/40/37/574704037.db2.gz HRJLVTIJKTUTBH-UHFFFAOYSA-N 0 0 318.394 3.333 10 30 DGEERN C=CCCCN(C)C(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C ZINC000736577222 574759396 /nfs/dbraw/zinc/75/93/96/574759396.db2.gz CWFVTULWCSVNJJ-QGZVFWFLSA-N 0 0 312.454 3.495 10 30 DGEERN C#CCCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740059176 574921585 /nfs/dbraw/zinc/92/15/85/574921585.db2.gz FJSBUJAEPFIFAG-UHFFFAOYSA-N 0 0 309.394 3.109 10 30 DGEERN C#CCOc1ccc(C(=O)NCCCc2cccc(F)c2)cc1 ZINC000741566432 574963157 /nfs/dbraw/zinc/96/31/57/574963157.db2.gz KTOAKMLWAABFNN-UHFFFAOYSA-N 0 0 311.356 3.200 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000741641371 574965102 /nfs/dbraw/zinc/96/51/02/574965102.db2.gz PAKTVDFRWNQECJ-CYBMUJFWSA-N 0 0 300.333 3.229 10 30 DGEERN C(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccoc1 ZINC000741812932 574972529 /nfs/dbraw/zinc/97/25/29/574972529.db2.gz FDINRZBIMXYROE-UHFFFAOYSA-N 0 0 305.341 3.066 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H](C)CCc2ccc(C)o2)cc1 ZINC000742015404 574979535 /nfs/dbraw/zinc/97/95/35/574979535.db2.gz GWYQKHCYAVSQMF-CQSZACIVSA-N 0 0 311.381 3.351 10 30 DGEERN C#CCOc1ccc(F)cc1NCCOc1ccc(F)cc1 ZINC000742263000 574988512 /nfs/dbraw/zinc/98/85/12/574988512.db2.gz OFHHSKHHJBKJQY-UHFFFAOYSA-N 0 0 303.308 3.468 10 30 DGEERN C=CCOc1ccc(OC(=O)CCCc2nc(CC)no2)cc1 ZINC000742862469 575022712 /nfs/dbraw/zinc/02/27/12/575022712.db2.gz HLSUKOKUQQCKKN-UHFFFAOYSA-N 0 0 316.357 3.125 10 30 DGEERN Cn1ccnc1C[C@H](/N=C\c1cccc(O)c1O)c1ccccc1 ZINC000743044462 575033089 /nfs/dbraw/zinc/03/30/89/575033089.db2.gz KCNPSPOCAGIVHU-JHDSZEHQSA-N 0 0 321.380 3.234 10 30 DGEERN N#Cc1ccc(CNC(=S)Nc2ccc(Cl)nc2)c(F)c1 ZINC000729821427 575264260 /nfs/dbraw/zinc/26/42/60/575264260.db2.gz MPOSOLBXKOOLDS-UHFFFAOYSA-N 0 0 320.780 3.232 10 30 DGEERN C#CCCCOC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000727041483 576097051 /nfs/dbraw/zinc/09/70/51/576097051.db2.gz LIOFFDXVTXIHLD-VFNNOXKTSA-N 0 0 314.381 3.379 10 30 DGEERN Cc1c(/C=C\C(=O)c2ccc(Br)cc2)cnn1C ZINC000033514778 620704876 /nfs/dbraw/zinc/70/48/76/620704876.db2.gz FQGNOKKHCLOCHC-YVMONPNESA-N 0 0 305.175 3.387 10 30 DGEERN C#CCOc1ccccc1OC[C@@H](O)c1ccc(F)cc1C ZINC000154989457 620753071 /nfs/dbraw/zinc/75/30/71/620753071.db2.gz NECVRBAQZISUHE-MRXNPFEDSA-N 0 0 300.329 3.259 10 30 DGEERN COc1ccc(O)c(/C=N/[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000155093972 620766598 /nfs/dbraw/zinc/76/65/98/620766598.db2.gz QMZCYPPANKRQAO-OTGIAGGSSA-N 0 0 322.368 3.162 10 30 DGEERN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267159 618984267 /nfs/dbraw/zinc/98/42/67/618984267.db2.gz DGWXXHUYQIBJSH-MLGOLLRUSA-N 0 0 307.397 3.352 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000151380959 620444195 /nfs/dbraw/zinc/44/41/95/620444195.db2.gz JVLHTHWIKKDMTA-AWEZNQCLSA-N 0 0 304.390 3.283 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)COc2c(C)nn(C)c2C)CC1 ZINC000151658852 620468627 /nfs/dbraw/zinc/46/86/27/620468627.db2.gz WRJGVECTPDKHOR-INIZCTEOSA-N 0 0 318.417 3.262 10 30 DGEERN C#C[C@@H](OC(=O)c1cccnc1SC(F)(F)F)C1CC1 ZINC000152650630 620516378 /nfs/dbraw/zinc/51/63/78/620516378.db2.gz BAIALYWOARSDTO-SNVBAGLBSA-N 0 0 301.289 3.262 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000153299196 620547378 /nfs/dbraw/zinc/54/73/78/620547378.db2.gz UGUYYRNIEOEBFW-LSDHHAIUSA-N 0 0 321.417 3.121 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCc1cccc(N(C)C)c1 ZINC000153906912 620621812 /nfs/dbraw/zinc/62/18/12/620621812.db2.gz ZYWCLFRBLPVVSG-AWEZNQCLSA-N 0 0 324.380 3.135 10 30 DGEERN CN(Cc1ccc(Cl)nc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153990953 620629343 /nfs/dbraw/zinc/62/93/43/620629343.db2.gz KMIHNIAUYBKBOH-UHFFFAOYSA-N 0 0 321.714 3.157 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000112582135 620834205 /nfs/dbraw/zinc/83/42/05/620834205.db2.gz QYWKVVZLONGJMH-HUUCEWRRSA-N 0 0 302.370 3.199 10 30 DGEERN O=C(C[C@H]1OCCc2ccccc21)OCC#Cc1ccccc1 ZINC000115908077 621157772 /nfs/dbraw/zinc/15/77/72/621157772.db2.gz DLSYAJSUSZTKLC-LJQANCHMSA-N 0 0 306.361 3.285 10 30 DGEERN O=C(CCc1cccc([N+](=O)[O-])c1)OCC#Cc1ccccc1 ZINC000120623358 621949847 /nfs/dbraw/zinc/94/98/47/621949847.db2.gz JFWFQICLFBIXOK-UHFFFAOYSA-N 0 0 309.321 3.122 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000122366099 622307619 /nfs/dbraw/zinc/30/76/19/622307619.db2.gz MNRSUDPXIUTVPC-AAEUAGOBSA-N 0 0 324.174 3.016 10 30 DGEERN C=C[C@H](CC(=O)OCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000122466382 622327158 /nfs/dbraw/zinc/32/71/58/622327158.db2.gz QWXQCCGAGLCZLL-CYBMUJFWSA-N 0 0 311.385 3.096 10 30 DGEERN CCCCSCCC(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000123984461 622855438 /nfs/dbraw/zinc/85/54/38/622855438.db2.gz FBHBLOUVNCIFKV-AWEZNQCLSA-N 0 0 310.463 3.068 10 30 DGEERN N#CC1(COC(=O)[C@H]2CCCN2c2nccs2)CCCCC1 ZINC000124932658 623257742 /nfs/dbraw/zinc/25/77/42/623257742.db2.gz LFKOTYGELUDIEQ-CYBMUJFWSA-N 0 0 319.430 3.129 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSc2ccc(F)cc2)c1 ZINC000128216855 624800009 /nfs/dbraw/zinc/80/00/09/624800009.db2.gz OUZUJJFXWPOAOF-UHFFFAOYSA-N 0 0 321.398 3.263 10 30 DGEERN CCN(C)C(=O)c1cccc(OC(=O)c2ccc(C#N)cc2C)c1 ZINC000129863147 625792360 /nfs/dbraw/zinc/79/23/60/625792360.db2.gz MPCVASHVDJKCCW-UHFFFAOYSA-N 0 0 322.364 3.178 10 30 DGEERN CCCOc1ccc(OCC(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000131241915 626615237 /nfs/dbraw/zinc/61/52/37/626615237.db2.gz XUJPOFAGELUUBU-ZDUSSCGKSA-N 0 0 305.374 3.336 10 30 DGEERN CCCCO[C@@H](C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000103688440 626717516 /nfs/dbraw/zinc/71/75/16/626717516.db2.gz RNZWEGYEYFPELK-DZGCQCFKSA-N 0 0 307.365 3.256 10 30 DGEERN N#Cc1ccc(OC(=O)/C=C/c2ccnc(Cl)c2)c(F)c1 ZINC000133727192 626835881 /nfs/dbraw/zinc/83/58/81/626835881.db2.gz XSPDBBFSYQWXAH-DUXPYHPUSA-N 0 0 302.692 3.365 10 30 DGEERN C#C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000133947458 626847464 /nfs/dbraw/zinc/84/74/64/626847464.db2.gz TZDMDPCRSFOTEP-LBPRGKRZSA-N 0 0 313.231 3.182 10 30 DGEERN C#C[C@@H](OC(=O)[C@H](C)Oc1ccc(Br)cc1)C1CC1 ZINC000134103250 626856117 /nfs/dbraw/zinc/85/61/17/626856117.db2.gz BGYTVUSCRLRICA-IINYFYTJSA-N 0 0 323.186 3.171 10 30 DGEERN C=CCOc1ccccc1[C@@H]1Nc2ccc(OC)cc2C(=O)N1C ZINC000102418388 630104294 /nfs/dbraw/zinc/10/42/94/630104294.db2.gz AKXLKKISLHYPJG-GOSISDBHSA-N 0 0 324.380 3.456 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)c1ccc(Br)c(F)c1 ZINC000121472000 630176923 /nfs/dbraw/zinc/17/69/23/630176923.db2.gz GRTNOPAODIIMQI-NSHDSACASA-N 0 0 300.127 3.293 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1ccc(OCC)cc1)c1ccccn1 ZINC000105549292 630736257 /nfs/dbraw/zinc/73/62/57/630736257.db2.gz YFUIHGLGJJVZAI-GOSISDBHSA-N 0 0 309.365 3.331 10 30 DGEERN C=CCCOC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000105761092 631081932 /nfs/dbraw/zinc/08/19/32/631081932.db2.gz GYSFMDNRLWQPEG-UHFFFAOYSA-N 0 0 311.337 3.311 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cnc(CC)s2)c1 ZINC000107021120 631503690 /nfs/dbraw/zinc/50/36/90/631503690.db2.gz QYUPBVAUSOLPEC-UHFFFAOYSA-N 0 0 301.367 3.075 10 30 DGEERN C#Cc1cccc(N(CC)C(=O)c2ccc(-c3ncon3)cc2)c1 ZINC000107146194 631540005 /nfs/dbraw/zinc/54/00/05/631540005.db2.gz GOMDUQLYPYGNCF-UHFFFAOYSA-N 0 0 317.348 3.385 10 30 DGEERN C#CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)cc1 ZINC000108185802 631823633 /nfs/dbraw/zinc/82/36/33/631823633.db2.gz ASJYHUPTMQKQCV-RTBURBONSA-N 0 0 321.376 3.449 10 30 DGEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)c(C)n1Cc1ccccc1 ZINC000108828230 631946128 /nfs/dbraw/zinc/94/61/28/631946128.db2.gz ZAWKIDRFWIKJRF-SFHVURJKSA-N 0 0 307.397 3.185 10 30 DGEERN N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)C1CC1 ZINC000108833699 631947273 /nfs/dbraw/zinc/94/72/73/631947273.db2.gz HACHJDTXUFAFCR-CYBMUJFWSA-N 0 0 304.440 3.197 10 30 DGEERN N#C[C@H](NC(=O)CCSc1nc2ccccc2s1)C1CC1 ZINC000108835371 631947695 /nfs/dbraw/zinc/94/76/95/631947695.db2.gz JXFLQVPRUQUHEJ-LBPRGKRZSA-N 0 0 317.439 3.197 10 30 DGEERN C#CCCCCCOC(=O)C1(c2ccccc2)CCOCC1 ZINC000185333758 660216651 /nfs/dbraw/zinc/21/66/51/660216651.db2.gz XFVWSFDGNHEILS-UHFFFAOYSA-N 0 0 300.398 3.472 10 30 DGEERN C#CCCCCCOC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000185334663 660215625 /nfs/dbraw/zinc/21/56/25/660215625.db2.gz WUXLFLDOINFLQD-UHFFFAOYSA-N 0 0 312.369 3.406 10 30 DGEERN C#CCCCCCOC(=O)CCc1nc(-c2ccsc2)no1 ZINC000185324925 660215726 /nfs/dbraw/zinc/21/57/26/660215726.db2.gz SYNQHOKTLKKBGF-UHFFFAOYSA-N 0 0 318.398 3.468 10 30 DGEERN C#CCC(C)(C)COC(=O)c1ccc(F)c(COCCOC)c1 ZINC000185355915 660218078 /nfs/dbraw/zinc/21/80/78/660218078.db2.gz OPZRJGIERYFUKM-UHFFFAOYSA-N 0 0 322.376 3.195 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1nc(-c2cccs2)no1 ZINC000185376000 660218900 /nfs/dbraw/zinc/21/89/00/660218900.db2.gz PUMJGWYXHRUPMW-UHFFFAOYSA-N 0 0 318.398 3.323 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000185723692 660238427 /nfs/dbraw/zinc/23/84/27/660238427.db2.gz VGGAKXPZOZCQCA-INIZCTEOSA-N 0 0 312.413 3.069 10 30 DGEERN C#C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC000704342944 660807663 /nfs/dbraw/zinc/80/76/63/660807663.db2.gz UNJOMLKKULGXTA-ZDUSSCGKSA-N 0 0 300.185 3.146 10 30 DGEERN N#Cc1cc(Br)cnc1NCC[C@@H]1CCSC1 ZINC000704866210 660823192 /nfs/dbraw/zinc/82/31/92/660823192.db2.gz JXBGXWXGCHHPSB-SECBINFHSA-N 0 0 312.236 3.271 10 30 DGEERN C[C@@]1(C#N)CCN(c2nc3cc(Br)ccc3o2)C1 ZINC000705917515 660841164 /nfs/dbraw/zinc/84/11/64/660841164.db2.gz OEMDVQWBYWYKLR-ZDUSSCGKSA-N 0 0 306.163 3.330 10 30 DGEERN N#Cc1c(Br)cccc1N[C@H]1COC2(CCC2)C1 ZINC000711154731 660940431 /nfs/dbraw/zinc/94/04/31/660940431.db2.gz MTWAZUIBOIKLNQ-SNVBAGLBSA-N 0 0 307.191 3.444 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2cccc(C#N)c2)C1 ZINC000711399268 660949653 /nfs/dbraw/zinc/94/96/53/660949653.db2.gz CADQEBCWKBRQHJ-OTVXOJSOSA-N 0 0 301.390 3.273 10 30 DGEERN N#Cc1cc(Br)ccc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711552201 660956195 /nfs/dbraw/zinc/95/61/95/660956195.db2.gz BCUIROHHPQQNRR-BETUJISGSA-N 0 0 323.259 3.116 10 30 DGEERN C=C[C@@H](C)OC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000187633635 655529168 /nfs/dbraw/zinc/52/91/68/655529168.db2.gz HNRBPUMREFYRAQ-LLVKDONJSA-N 0 0 302.349 3.288 10 30 DGEERN COc1cccc(/C=N\[C@@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000254939602 655546887 /nfs/dbraw/zinc/54/68/87/655546887.db2.gz KKRLMBDWYGPAEU-QXGSTRBFSA-N 0 0 322.368 3.162 10 30 DGEERN C=C[C@@H](C)OC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000187635403 655554182 /nfs/dbraw/zinc/55/41/82/655554182.db2.gz GCYZKHDWQYJEHX-LLVKDONJSA-N 0 0 308.399 3.486 10 30 DGEERN C[C@@H](ON=Cc1ccccc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000254986311 655554213 /nfs/dbraw/zinc/55/42/13/655554213.db2.gz KTSVGUIAELOKLT-ZIAGYGMSSA-N 0 0 314.360 3.442 10 30 DGEERN C[C@@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccc(C#N)cc1 ZINC000175780913 655576641 /nfs/dbraw/zinc/57/66/41/655576641.db2.gz AMCIZRNUNPJQGJ-CYBMUJFWSA-N 0 0 318.336 3.057 10 30 DGEERN N#Cc1sc(N2CCS[C@@H](C(F)(F)F)C2)nc1Cl ZINC000721423070 655585158 /nfs/dbraw/zinc/58/51/58/655585158.db2.gz KFANQHATHVSYDB-ZCFIWIBFSA-N 0 0 313.757 3.152 10 30 DGEERN N#Cc1ccccc1/C=C\C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000255072767 655591919 /nfs/dbraw/zinc/59/19/19/655591919.db2.gz PGFKFAOMEIQPMR-PUMRNXGDSA-N 0 0 302.377 3.491 10 30 DGEERN N#C[C@@H](OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CC1 ZINC000083771486 655653995 /nfs/dbraw/zinc/65/39/95/655653995.db2.gz PSVYNKSKJHLFEE-CQSZACIVSA-N 0 0 309.325 3.073 10 30 DGEERN C=C[C@@H](C)OC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000187576800 655663789 /nfs/dbraw/zinc/66/37/89/655663789.db2.gz BZAJLXOYVMCSGD-CQSZACIVSA-N 0 0 310.438 3.296 10 30 DGEERN N#CCOc1ccc(CNC(=O)NC/C=C\c2ccccc2)cc1 ZINC000255338675 655703760 /nfs/dbraw/zinc/70/37/60/655703760.db2.gz WJEKLBULQDDBNA-DAXSKMNVSA-N 0 0 321.380 3.102 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)C1CCCC1 ZINC000178156485 655715838 /nfs/dbraw/zinc/71/58/38/655715838.db2.gz ATWODVKVIDZNQZ-LLVKDONJSA-N 0 0 305.353 3.428 10 30 DGEERN Cc1ccc(CCCC(=O)[C@@H](C#N)C(=O)NC2CCCC2)cc1 ZINC000051653827 655775516 /nfs/dbraw/zinc/77/55/16/655775516.db2.gz UDXMESICHQWWKL-QGZVFWFLSA-N 0 0 312.413 3.085 10 30 DGEERN Cc1cc(C#N)nc(NCCc2sccc2Br)n1 ZINC000713064520 661190175 /nfs/dbraw/zinc/19/01/75/661190175.db2.gz LRCORQFQYSJZFI-UHFFFAOYSA-N 0 0 323.219 3.135 10 30 DGEERN CCc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1F ZINC000162051009 655844296 /nfs/dbraw/zinc/84/42/96/655844296.db2.gz OSAGUCRKVUAGTG-UHFFFAOYSA-N 0 0 312.344 3.472 10 30 DGEERN C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000036713456 661197814 /nfs/dbraw/zinc/19/78/14/661197814.db2.gz YTMPGWLNXCLYJA-PLWJUESGSA-N 0 0 303.402 3.434 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000255658009 655886341 /nfs/dbraw/zinc/88/63/41/655886341.db2.gz KXTGDJLWQMVHHI-KVNDZABWSA-N 0 0 316.376 3.244 10 30 DGEERN Oc1ccccc1/C=N\[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000255662676 655887948 /nfs/dbraw/zinc/88/79/48/655887948.db2.gz RUYKBYAKVKRQSL-XTBHVRTMSA-N 0 0 301.777 3.138 10 30 DGEERN Cc1c(C(=O)O[C@@H](C#N)C2CC2)cnn1-c1ccccc1Cl ZINC000177042432 655889652 /nfs/dbraw/zinc/88/96/52/655889652.db2.gz KOXZNOXBDVXZQU-HNNXBMFYSA-N 0 0 315.760 3.293 10 30 DGEERN C=C(Br)CN1CCCSC[C@H]1C(F)(F)F ZINC000725519603 655912947 /nfs/dbraw/zinc/91/29/47/655912947.db2.gz JVHOLBSTBUEBRG-QMMMGPOBSA-N 0 0 304.175 3.265 10 30 DGEERN Cc1cc(C)c(C#N)c(NCc2ncc(Br)s2)n1 ZINC000714942423 661205033 /nfs/dbraw/zinc/20/50/33/661205033.db2.gz DQPBWYOXZWGBDX-UHFFFAOYSA-N 0 0 323.219 3.401 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)OCc1cccc(OC)c1)C(C)C ZINC000177721912 655942928 /nfs/dbraw/zinc/94/29/28/655942928.db2.gz JTMHXHVSWLIBOP-YOEHRIQHSA-N 0 0 304.386 3.191 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(OCC(F)(F)F)n1)C(C)C ZINC000177735461 655944100 /nfs/dbraw/zinc/94/41/00/655944100.db2.gz IXUREMWAHBMBCA-LBPRGKRZSA-N 0 0 315.291 3.227 10 30 DGEERN C#CC[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000177736152 655944150 /nfs/dbraw/zinc/94/41/50/655944150.db2.gz HZJAWIZQCZIFOI-AWEZNQCLSA-N 0 0 307.371 3.278 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccc4c(c3)CCCO4)n2c1 ZINC000178219528 655968049 /nfs/dbraw/zinc/96/80/49/655968049.db2.gz VCRYRSHHPHTYOE-UHFFFAOYSA-N 0 0 304.353 3.143 10 30 DGEERN C#CCCCCC(=O)Oc1cccc(C(=O)N(CC)CC)c1 ZINC000180761360 655968707 /nfs/dbraw/zinc/96/87/07/655968707.db2.gz QYFSNBFXUHSZBJ-UHFFFAOYSA-N 0 0 301.386 3.268 10 30 DGEERN CCCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162298554 656080195 /nfs/dbraw/zinc/08/01/95/656080195.db2.gz YORWONWTWIPQGY-GOEBONIOSA-N 0 0 322.449 3.130 10 30 DGEERN N#CC1(COC(=O)CSC[C@@H]2CCCCO2)CCCCC1 ZINC000183678131 656114128 /nfs/dbraw/zinc/11/41/28/656114128.db2.gz CPJIOAIXDKAGCG-AWEZNQCLSA-N 0 0 311.447 3.306 10 30 DGEERN C[C@@H](CCn1cccn1)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183912209 656115929 /nfs/dbraw/zinc/11/59/29/656115929.db2.gz NIGLLACUDIYQTA-AWEZNQCLSA-N 0 0 309.369 3.074 10 30 DGEERN N#CC1(COC(=O)/C=C/c2ccc3ccccc3n2)CCOCC1 ZINC000183979274 656116171 /nfs/dbraw/zinc/11/61/71/656116171.db2.gz UTXXLZUTEZFGIM-BQYQJAHWSA-N 0 0 322.364 3.112 10 30 DGEERN C#CC[C@H](COC)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000716846802 661229884 /nfs/dbraw/zinc/22/98/84/661229884.db2.gz MIXAPCCCMWNZBI-SNVBAGLBSA-N 0 0 301.173 3.153 10 30 DGEERN CC(C)(CCC#N)COC(=O)c1ccnc(OCC(F)F)c1 ZINC000195081039 656208654 /nfs/dbraw/zinc/20/86/54/656208654.db2.gz HYYALSSOSPOOLA-UHFFFAOYSA-N 0 0 312.316 3.212 10 30 DGEERN CCOc1ccc(OCC(=O)OCC(C)(C)CCC#N)cc1 ZINC000195083106 656208664 /nfs/dbraw/zinc/20/86/64/656208664.db2.gz XDFBGRZHEUZKEV-UHFFFAOYSA-N 0 0 305.374 3.337 10 30 DGEERN CCCCCCCS(=O)(=O)N[C@@H](C)c1ccncc1OC ZINC000195465996 656212334 /nfs/dbraw/zinc/21/23/34/656212334.db2.gz FBYVMANIZYACLD-ZDUSSCGKSA-N 0 0 314.451 3.041 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000178396751 656261356 /nfs/dbraw/zinc/26/13/56/656261356.db2.gz KXKRRGWCEKATKV-AWEZNQCLSA-N 0 0 319.380 3.191 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722338086 656456254 /nfs/dbraw/zinc/45/62/54/656456254.db2.gz RPSZHUODBVAZOB-STQMWFEESA-N 0 0 322.206 3.085 10 30 DGEERN C=CCCC(=O)OC[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000077887321 656689726 /nfs/dbraw/zinc/68/97/26/656689726.db2.gz VPMUNNLFGIQMRM-SUMWQHHRSA-N 0 0 321.804 3.369 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc(C)c(S(C)(=O)=O)c1)C1CC1 ZINC000159490745 656926466 /nfs/dbraw/zinc/92/64/66/656926466.db2.gz DHGDCJSASSSQRZ-HNNXBMFYSA-N 0 0 322.426 3.300 10 30 DGEERN C=CCn1c(C)nn(CN(C)Cc2ccc(F)cc2)c1=S ZINC000070698396 657351793 /nfs/dbraw/zinc/35/17/93/657351793.db2.gz JBIITPRTRLALGM-UHFFFAOYSA-N 0 0 306.410 3.137 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000191106756 657370497 /nfs/dbraw/zinc/37/04/97/657370497.db2.gz WOEUIEXQFPXBSG-JEJOPICUSA-N 0 0 319.357 3.380 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000178987773 657380592 /nfs/dbraw/zinc/38/05/92/657380592.db2.gz MSNVNPBRGBEHTN-UHFFFAOYSA-N 0 0 310.309 3.174 10 30 DGEERN N#Cc1ccc(Cl)cc1NC1CCN(c2ncccn2)CC1 ZINC000096412848 657524046 /nfs/dbraw/zinc/52/40/46/657524046.db2.gz LKJTZXWWISTFLD-UHFFFAOYSA-N 0 0 313.792 3.083 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)C[C@@H]1CCCCO1 ZINC000088810364 658640459 /nfs/dbraw/zinc/64/04/59/658640459.db2.gz FJRCEBSUPZFWKG-GJZGRUSLSA-N 0 0 302.370 3.262 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCCc1cccs1 ZINC000067801913 658747881 /nfs/dbraw/zinc/74/78/81/658747881.db2.gz GSIBZNNZYZESFW-LBPRGKRZSA-N 0 0 301.367 3.173 10 30 DGEERN C#CCN(C(=O)c1ccccc1Br)C1CCCC1 ZINC000164143805 658919533 /nfs/dbraw/zinc/91/95/33/658919533.db2.gz OLZLBHMQPCXRHO-UHFFFAOYSA-N 0 0 306.203 3.467 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cccc(NC(C)=O)c1 ZINC000057745741 659025697 /nfs/dbraw/zinc/02/56/97/659025697.db2.gz UAOFTNKFUMTUOG-OLZOCXBDSA-N 0 0 305.374 3.230 10 30 DGEERN C#CCOCCC(=O)O[C@H](C)c1cc(C)ccc1OC(F)F ZINC000166558200 659036479 /nfs/dbraw/zinc/03/64/79/659036479.db2.gz MNRXPIDLEINCCU-GFCCVEGCSA-N 0 0 312.312 3.241 10 30 DGEERN CC(C)(C)c1cc(C(=O)N[C@]2(C#N)CCSC2)cc(Cl)n1 ZINC000228103124 659174862 /nfs/dbraw/zinc/17/48/62/659174862.db2.gz ZYZCLIMFMVTTTH-HNNXBMFYSA-N 0 0 323.849 3.162 10 30 DGEERN C=C(Br)COC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000171626827 659292202 /nfs/dbraw/zinc/29/22/02/659292202.db2.gz XILKPOIDCIDNFW-CHWSQXEVSA-N 0 0 311.175 3.251 10 30 DGEERN COc1cccc(/C=N/CCOc2ccc(F)cc2F)c1O ZINC000171752693 659296286 /nfs/dbraw/zinc/29/62/86/659296286.db2.gz BYDGBATXLAPHGE-VXLYETTFSA-N 0 0 307.296 3.177 10 30 DGEERN COCc1cccc(OC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000171877570 659302905 /nfs/dbraw/zinc/30/29/05/659302905.db2.gz VBAXPUSWTFSUGW-ZDUSSCGKSA-N 0 0 311.337 3.078 10 30 DGEERN C=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OCC ZINC000172294994 659328859 /nfs/dbraw/zinc/32/88/59/659328859.db2.gz VAICGVOENUSWQM-UHFFFAOYSA-N 0 0 319.235 3.112 10 30 DGEERN N#Cc1ccc(COC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000172705048 659350270 /nfs/dbraw/zinc/35/02/70/659350270.db2.gz HRHGPYFKTAWMDC-UHFFFAOYSA-N 0 0 321.361 3.434 10 30 DGEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)c1cccnc1 ZINC000174021932 659408806 /nfs/dbraw/zinc/40/88/06/659408806.db2.gz DFBZALPUQKMRKE-SNVBAGLBSA-N 0 0 316.744 3.324 10 30 DGEERN C#C[C@H](C)OC(=O)COc1ccc(Br)cc1Cl ZINC000174419759 659433076 /nfs/dbraw/zinc/43/30/76/659433076.db2.gz CFALLVLFJOMYKQ-QMMMGPOBSA-N 0 0 317.566 3.046 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1cccc(OC)c1O ZINC000174535519 659438065 /nfs/dbraw/zinc/43/80/65/659438065.db2.gz PIQNZCXMSVAGNK-UHFFFAOYSA-N 0 0 301.317 3.164 10 30 DGEERN N#CCC1(COC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000174753880 659627870 /nfs/dbraw/zinc/62/78/70/659627870.db2.gz YWINMDSDOVYBDD-UHFFFAOYSA-N 0 0 314.316 3.260 10 30 DGEERN C=CCOCCCC(=O)Oc1ccc(OC(F)(F)F)cc1 ZINC000174876384 659902104 /nfs/dbraw/zinc/90/21/04/659902104.db2.gz NZUGMYHMEZGKOQ-UHFFFAOYSA-N 0 0 304.264 3.473 10 30 DGEERN C#CCSCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000175217638 659917592 /nfs/dbraw/zinc/91/75/92/659917592.db2.gz ROKLLZOVQYPWAH-CQSZACIVSA-N 0 0 306.431 3.191 10 30 DGEERN N#C[C@@H](COC(=O)COCc1ccccc1)Cc1ccccc1 ZINC000175376524 659919321 /nfs/dbraw/zinc/91/93/21/659919321.db2.gz HKKHTNPWDWNQBZ-SFHVURJKSA-N 0 0 309.365 3.129 10 30 DGEERN COCc1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)cc1 ZINC000175360698 659919340 /nfs/dbraw/zinc/91/93/40/659919340.db2.gz WCLQEAOZECXRHL-QGZVFWFLSA-N 0 0 309.365 3.372 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H](C#N)CC ZINC000068325902 659949195 /nfs/dbraw/zinc/94/91/95/659949195.db2.gz ULXPWYOBMLTEKF-ZNFPLGDCSA-N 0 0 323.396 3.455 10 30 DGEERN Cc1nn(CC(C)C)c(C)c1CCC(=O)OCC(C)(C)C#N ZINC000180152189 659953415 /nfs/dbraw/zinc/95/34/15/659953415.db2.gz IMXQEWLMRJWARP-UHFFFAOYSA-N 0 0 305.422 3.182 10 30 DGEERN COCc1ccsc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000182075912 660032609 /nfs/dbraw/zinc/03/26/09/660032609.db2.gz YPHXJEIJYRJPGI-NSHDSACASA-N 0 0 316.382 3.438 10 30 DGEERN COc1cccc(OC)c1/C=C/C(=O)c1cc(O)ccc1OC ZINC000182289005 660041253 /nfs/dbraw/zinc/04/12/53/660041253.db2.gz XYRIDEJFCVBABR-CMDGGOBGSA-N 0 0 314.337 3.314 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000182286700 660041261 /nfs/dbraw/zinc/04/12/61/660041261.db2.gz PDLXAWQAIVFNNJ-GORDUTHDSA-N 0 0 312.321 3.068 10 30 DGEERN N#CC1(c2ccc(C(=O)OC[C@H]3Cc4ccccc4O3)cc2)CC1 ZINC000182519589 660060489 /nfs/dbraw/zinc/06/04/89/660060489.db2.gz MMXQOHOUCXCSCG-QGZVFWFLSA-N 0 0 319.360 3.402 10 30 DGEERN C[C@H](C#N)NC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182918820 660090896 /nfs/dbraw/zinc/09/08/96/660090896.db2.gz PTAJWIGKDRZPHX-CYBMUJFWSA-N 0 0 323.352 3.077 10 30 DGEERN COc1cccc(OCC(=O)OCC2(C#N)CCCCC2)c1 ZINC000183683133 660130433 /nfs/dbraw/zinc/13/04/33/660130433.db2.gz AYKHPPHDRUINND-UHFFFAOYSA-N 0 0 303.358 3.091 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C1CC1 ZINC000183692834 660130868 /nfs/dbraw/zinc/13/08/68/660130868.db2.gz MLBCZQRUDQDTIV-CVEARBPZSA-N 0 0 317.385 3.151 10 30 DGEERN Cc1c(C(=O)OCC2(C#N)CCCCC2)cnn1CC(C)C ZINC000183712884 660132043 /nfs/dbraw/zinc/13/20/43/660132043.db2.gz XMTPVCAORMTNAP-UHFFFAOYSA-N 0 0 303.406 3.478 10 30 DGEERN CCOc1ccc(OCC(=O)OCC2(C#N)CCCCC2)cc1 ZINC000183708885 660132396 /nfs/dbraw/zinc/13/23/96/660132396.db2.gz CEILAHOKCBVMRO-UHFFFAOYSA-N 0 0 317.385 3.481 10 30 DGEERN C=CCOc1ccccc1C(=O)O[C@H](C)CCn1cccn1 ZINC000183876995 660145110 /nfs/dbraw/zinc/14/51/10/660145110.db2.gz MMSNUPNXMORXPN-CQSZACIVSA-N 0 0 300.358 3.084 10 30 DGEERN C[C@@H](CC(=O)OCC1(C#N)CCOCC1)c1cccc(F)c1 ZINC000183931132 660148042 /nfs/dbraw/zinc/14/80/42/660148042.db2.gz KQQHYWJAKJNAQM-ZDUSSCGKSA-N 0 0 305.349 3.183 10 30 DGEERN C#CCOc1ccccc1NCc1nnc(-c2ccccc2)n1C ZINC000184635490 660177793 /nfs/dbraw/zinc/17/77/93/660177793.db2.gz OCVKMCUFZPMJEM-UHFFFAOYSA-N 0 0 318.380 3.106 10 30 DGEERN C=C[C@H](C)OC(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000187529883 661797113 /nfs/dbraw/zinc/79/71/13/661797113.db2.gz GATPJHRPSDAMKC-LBPRGKRZSA-N 0 0 318.398 3.091 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)COc1ccc(C)cc1C ZINC000187539929 661837654 /nfs/dbraw/zinc/83/76/54/661837654.db2.gz NVDGKCMALLCZCF-SFHVURJKSA-N 0 0 306.402 3.454 10 30 DGEERN C#CCCCCC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000155252029 661844156 /nfs/dbraw/zinc/84/41/56/661844156.db2.gz TZGXDVDKQYEZQN-OAQYLSRUSA-N 0 0 317.332 3.446 10 30 DGEERN C#CCN(Cc1noc(-c2ccc(OC)cc2)n1)C1CCCC1 ZINC000155734060 661851619 /nfs/dbraw/zinc/85/16/19/661851619.db2.gz WLRKDWFLKRCDJM-UHFFFAOYSA-N 0 0 311.385 3.123 10 30 DGEERN C[C@H](OC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(C)(C)C#N ZINC000156278567 661861886 /nfs/dbraw/zinc/86/18/86/661861886.db2.gz HSZRUTXPGUSEIH-JTQLQIEISA-N 0 0 301.321 3.311 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000159055941 661882260 /nfs/dbraw/zinc/88/22/60/661882260.db2.gz VIWXBYNIJKDTKB-UHFFFAOYSA-N 0 0 319.320 3.274 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)OCc1ccc(-n2cccn2)cc1 ZINC000159117601 661882862 /nfs/dbraw/zinc/88/28/62/661882862.db2.gz YIVSCYOWVIBOIU-UHFFFAOYSA-N 0 0 317.348 3.409 10 30 DGEERN C=C[C@@H](C)OC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 ZINC000187557226 661887564 /nfs/dbraw/zinc/88/75/64/661887564.db2.gz ZVAYGZJSQKYEIM-MRVPVSSYSA-N 0 0 302.273 3.037 10 30 DGEERN C=CCC[C@H](OC(=O)CCn1c(C)c(C)sc1=O)C1CC1 ZINC000159586049 661890920 /nfs/dbraw/zinc/89/09/20/661890920.db2.gz PSZIZAASJLDFMA-AWEZNQCLSA-N 0 0 309.431 3.205 10 30 DGEERN C=CCC[C@@H](OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000159683276 661893178 /nfs/dbraw/zinc/89/31/78/661893178.db2.gz DSQPTJMSFPCXAD-CQSZACIVSA-N 0 0 321.377 3.086 10 30 DGEERN C#CC[C@H](OC(=O)c1cnc(-c2cnn(C)c2)s1)C(C)(C)C ZINC000159673204 661893188 /nfs/dbraw/zinc/89/31/88/661893188.db2.gz BRLWEQHNCLLAAG-ZDUSSCGKSA-N 0 0 317.414 3.138 10 30 DGEERN C=CCC[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1C)C1CC1 ZINC000159713164 661893886 /nfs/dbraw/zinc/89/38/86/661893886.db2.gz KARTYHDMEINPBI-INIZCTEOSA-N 0 0 322.426 3.300 10 30 DGEERN C=CCC[C@H](OC(=O)c1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000159745517 661894529 /nfs/dbraw/zinc/89/45/29/661894529.db2.gz WXLBJWPJXGCFAU-INIZCTEOSA-N 0 0 301.386 3.290 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@H](NC(C)=O)c1ccccc1)C(C)(C)C ZINC000159847934 661896287 /nfs/dbraw/zinc/89/62/87/661896287.db2.gz WZBITLQSGMGSDI-DLBZAZTESA-N 0 0 315.413 3.235 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccccc1COC1CCOCC1 ZINC000188006880 661911281 /nfs/dbraw/zinc/91/12/81/661911281.db2.gz DMRXAOQWPFMGRH-HNNXBMFYSA-N 0 0 317.385 3.231 10 30 DGEERN CC[C@H](CC#N)OC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000188079296 661914519 /nfs/dbraw/zinc/91/45/19/661914519.db2.gz VPPCRLNOJHJNMA-LLVKDONJSA-N 0 0 301.264 3.320 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000188092527 661915332 /nfs/dbraw/zinc/91/53/32/661915332.db2.gz BSMYSFDLYORCFX-HNNXBMFYSA-N 0 0 303.358 3.284 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1cn(CCOC)c2ccccc12 ZINC000188107667 661916424 /nfs/dbraw/zinc/91/64/24/661916424.db2.gz OBLQUSADAFJKGN-CYBMUJFWSA-N 0 0 300.358 3.137 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000188334328 661926050 /nfs/dbraw/zinc/92/60/50/661926050.db2.gz QMPRRZQYLQWCGC-UONOGXRCSA-N 0 0 310.438 3.247 10 30 DGEERN C=CC[C@@]1(C(=O)N(C)CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC000189000083 661957864 /nfs/dbraw/zinc/95/78/64/661957864.db2.gz MZYTWZINXLXMSO-SFHVURJKSA-N 0 0 322.449 3.201 10 30 DGEERN C=CC[C@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccccc1 ZINC000189241970 661970081 /nfs/dbraw/zinc/97/00/81/661970081.db2.gz GUUFYAXYJSMYMB-IRXDYDNUSA-N 0 0 304.386 3.433 10 30 DGEERN C=CCN(Cc1ccc(F)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000189310254 661973750 /nfs/dbraw/zinc/97/37/50/661973750.db2.gz XJLLYLMJAYYNIH-UHFFFAOYSA-N 0 0 301.321 3.317 10 30 DGEERN C=CC[N@@H+](CCOC)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000191119280 662054515 /nfs/dbraw/zinc/05/45/15/662054515.db2.gz UIOSKBHHDNNPKM-UHFFFAOYSA-N 0 0 308.447 3.095 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(F)cc2nccnc21 ZINC000191164613 662055689 /nfs/dbraw/zinc/05/56/89/662055689.db2.gz ZXUFSFIMVQYQNZ-KRWDZBQOSA-N 0 0 318.348 3.155 10 30 DGEERN CCOC1CC(CC(=O)OC[C@H](C#N)Cc2ccccc2)C1 ZINC000191184141 662056431 /nfs/dbraw/zinc/05/64/31/662056431.db2.gz OKXHHGWFZXJABU-CGZBRXJRSA-N 0 0 301.386 3.117 10 30 DGEERN C#CCCCC(=O)OCc1ccccc1OC[C@@H]1CCCO1 ZINC000191296663 662058984 /nfs/dbraw/zinc/05/89/84/662058984.db2.gz UWWWDWSSLFNTEQ-INIZCTEOSA-N 0 0 302.370 3.091 10 30 DGEERN C#CC[C@@H](OC(=O)Cc1ccc(OCCOC)cc1)C(C)(C)C ZINC000191417540 662065332 /nfs/dbraw/zinc/06/53/32/662065332.db2.gz VYJQZRFYFIRYGY-QGZVFWFLSA-N 0 0 318.413 3.236 10 30 DGEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1ccc(C#N)cc1 ZINC000078480202 662070464 /nfs/dbraw/zinc/07/04/64/662070464.db2.gz CRIZRORBXPZMEK-CYBMUJFWSA-N 0 0 323.352 3.296 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)CCc1ccncn1 ZINC000192429511 662097793 /nfs/dbraw/zinc/09/77/93/662097793.db2.gz FQRKETUFKYTLCI-UHFFFAOYSA-N 0 0 312.369 3.142 10 30 DGEERN C#CCOc1cccc(COC(=O)CC(C)(C)CC(C)=O)c1 ZINC000192432345 662098130 /nfs/dbraw/zinc/09/81/30/662098130.db2.gz WELHEXGEOUMEIG-UHFFFAOYSA-N 0 0 302.370 3.137 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000192434293 662098183 /nfs/dbraw/zinc/09/81/83/662098183.db2.gz XLEFNRFESVSBKJ-MRXNPFEDSA-N 0 0 301.386 3.307 10 30 DGEERN C#CC[C@H](OC(=O)c1ccc(OCCCOC)cc1)C1CC1 ZINC000079206762 662103628 /nfs/dbraw/zinc/10/36/28/662103628.db2.gz PGJKNLVIUDIBDE-KRWDZBQOSA-N 0 0 302.370 3.061 10 30 DGEERN C#CC[C@H](OC(=O)CCc1c(C)nc(SC)nc1C)C1CC1 ZINC000079204948 662103675 /nfs/dbraw/zinc/10/36/75/662103675.db2.gz YMPCYARPQIUBHX-HNNXBMFYSA-N 0 0 318.442 3.093 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000079208319 662103877 /nfs/dbraw/zinc/10/38/77/662103877.db2.gz ILYRBJICDGIYKG-GFCCVEGCSA-N 0 0 310.296 3.255 10 30 DGEERN C#CC[C@@H](OC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000192671682 662107629 /nfs/dbraw/zinc/10/76/29/662107629.db2.gz ACKPYFSKSGOBIR-ZIAGYGMSSA-N 0 0 311.422 3.271 10 30 DGEERN C[C@H](O)c1nc2ccccc2n1Cc1cn2ccccc2c1C#N ZINC000192712039 662109407 /nfs/dbraw/zinc/10/94/07/662109407.db2.gz AIQPCPOFGUSIJC-ZDUSSCGKSA-N 0 0 316.364 3.262 10 30 DGEERN C#CCC(C)(C)COC(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000192856536 662113267 /nfs/dbraw/zinc/11/32/67/662113267.db2.gz DSVKJQZFSIYYSS-ZDUSSCGKSA-N 0 0 311.422 3.273 10 30 DGEERN Cn1c(=O)sc2cc(/C=C3/Cc4cc(O)ccc4C3=O)ccc21 ZINC000193150535 662124208 /nfs/dbraw/zinc/12/42/08/662124208.db2.gz NNNYHBXVBSRMNQ-SDQBBNPISA-N 0 0 323.373 3.128 10 30 DGEERN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cc1cccc(F)c1 ZINC000193380554 662132179 /nfs/dbraw/zinc/13/21/79/662132179.db2.gz XDBUYANHJNOPMQ-CQSZACIVSA-N 0 0 307.328 3.131 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)CCc1ccccc1Br ZINC000080386390 662139144 /nfs/dbraw/zinc/13/91/44/662139144.db2.gz UFNIXVRBACIHNZ-CYBMUJFWSA-N 0 0 310.191 3.473 10 30 DGEERN N#C[C@@H](OC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000080393758 662139714 /nfs/dbraw/zinc/13/97/14/662139714.db2.gz WOFLJNROLXUKFC-CQSZACIVSA-N 0 0 309.325 3.073 10 30 DGEERN C[C@H](Oc1ccc(Br)cc1)C(=O)OC(C)(C)C#N ZINC000194446962 662165989 /nfs/dbraw/zinc/16/59/89/662165989.db2.gz LTLCTNSTAQSUFT-VIFPVBQESA-N 0 0 312.163 3.062 10 30 DGEERN C[C@H](OC(=O)c1cc(C#N)cn1C)c1ccc(OC(F)F)cc1 ZINC000081538650 662169108 /nfs/dbraw/zinc/16/91/08/662169108.db2.gz NBVYKRXSRDTPEA-JTQLQIEISA-N 0 0 320.295 3.416 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)CCc1cscn1 ZINC000195232724 662181100 /nfs/dbraw/zinc/18/11/00/662181100.db2.gz MLRVBHTUIZGSFC-UHFFFAOYSA-N 0 0 303.383 3.418 10 30 DGEERN C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000083939654 662197928 /nfs/dbraw/zinc/19/79/28/662197928.db2.gz XGCIDUOGXYKTKJ-VIFPVBQESA-N 0 0 302.311 3.446 10 30 DGEERN C#CCOc1ccccc1OC(=O)Cc1ccc(F)c(F)c1 ZINC000087257108 662224665 /nfs/dbraw/zinc/22/46/65/662224665.db2.gz KRJGCAGCJLNGAR-UHFFFAOYSA-N 0 0 302.276 3.125 10 30 DGEERN C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(C)(C)C#N ZINC000245561482 662236381 /nfs/dbraw/zinc/23/63/81/662236381.db2.gz VCKRCGZLAQCDII-FPMFFAJLSA-N 0 0 315.369 3.043 10 30 DGEERN COCCC1(C(=O)OC[C@@H](C#N)Cc2cccs2)CCC1 ZINC000089289159 662241050 /nfs/dbraw/zinc/24/10/50/662241050.db2.gz RUZIXKDWJBEDSH-CYBMUJFWSA-N 0 0 307.415 3.180 10 30 DGEERN N#C[C@H](COC(=O)CCC1CCOCC1)Cc1cccs1 ZINC000089293354 662241093 /nfs/dbraw/zinc/24/10/93/662241093.db2.gz DWTPASNARRYBBR-CQSZACIVSA-N 0 0 307.415 3.180 10 30 DGEERN N#C[C@H](COC(=O)[C@@H]1CC1(Cl)Cl)Cc1cccs1 ZINC000089302946 662241453 /nfs/dbraw/zinc/24/14/53/662241453.db2.gz NADVYRPTOCPGPK-SCZZXKLOSA-N 0 0 304.198 3.167 10 30 DGEERN C=CCC[C@H](C)OC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000089319918 662241706 /nfs/dbraw/zinc/24/17/06/662241706.db2.gz QFSLBYSFCLFJBQ-ZDUSSCGKSA-N 0 0 301.386 3.476 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1cccc(OCc2noc(C)n2)c1 ZINC000089312432 662241834 /nfs/dbraw/zinc/24/18/34/662241834.db2.gz NBMSPHVEVYMOTK-GFCCVEGCSA-N 0 0 316.357 3.469 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1ccccc1OCc1noc(C)n1 ZINC000089320285 662241909 /nfs/dbraw/zinc/24/19/09/662241909.db2.gz NBWIBILCPZFWLI-GFCCVEGCSA-N 0 0 316.357 3.469 10 30 DGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000089319553 662241927 /nfs/dbraw/zinc/24/19/27/662241927.db2.gz FCACWFYGUAYEOZ-WBVHZDCISA-N 0 0 315.413 3.118 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000089321107 662242216 /nfs/dbraw/zinc/24/22/16/662242216.db2.gz LBIQQRMPXBDDLX-PBHICJAKSA-N 0 0 303.402 3.460 10 30 DGEERN C=CCC[C@@H](C)OC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000089321085 662242252 /nfs/dbraw/zinc/24/22/52/662242252.db2.gz DHZUQBWKLHIMDX-CQSZACIVSA-N 0 0 317.385 3.090 10 30 DGEERN CC(C)CN(CCC#N)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037976842 662266848 /nfs/dbraw/zinc/26/68/48/662266848.db2.gz GFEGLQRSSOSAPH-UHFFFAOYSA-N 0 0 309.753 3.260 10 30 DGEERN CC(C)(C)OC(=O)c1cccc(C(=O)O[C@H](C#N)C2CC2)c1 ZINC000091697761 662312960 /nfs/dbraw/zinc/31/29/60/662312960.db2.gz CZMAIXYOPPLCHO-CQSZACIVSA-N 0 0 301.342 3.101 10 30 DGEERN C[C@H](C#N)NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000255108609 685120785 /nfs/dbraw/zinc/12/07/85/685120785.db2.gz WCTPPLLAQPBKRM-JMUHATKESA-N 0 0 302.683 3.314 10 30 DGEERN N#Cc1ccc(Br)cc1NC[C@@H]1CCC[C@@H](O)C1 ZINC000227695137 1176516149 /nfs/dbraw/zinc/51/61/49/1176516149.db2.gz MXVICTVRHYPVAC-ZWNOBZJWSA-N 0 0 309.207 3.284 10 30 DGEERN N#Cc1ccc(Br)cc1NCc1cccc(CO)c1 ZINC000125107920 1176799319 /nfs/dbraw/zinc/79/93/19/1176799319.db2.gz JPHPHBNADCARDP-UHFFFAOYSA-N 0 0 317.186 3.425 10 30 DGEERN C=C[C@@H](C)ONC(=O)c1ccc(Cl)cc1Br ZINC000400919275 1177695367 /nfs/dbraw/zinc/69/53/67/1177695367.db2.gz DYZHNBYOYACLEK-SSDOTTSWSA-N 0 0 304.571 3.338 10 30 DGEERN CC[C@@](C)(C#N)NC(=O)c1cc(C)c(Br)s1 ZINC000081728462 1197244515 /nfs/dbraw/zinc/24/45/15/1197244515.db2.gz QWXQNZDCXZBUTC-NSHDSACASA-N 0 0 301.209 3.241 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000364464774 1197698999 /nfs/dbraw/zinc/69/89/99/1197698999.db2.gz YXPYTIFMYAFQCH-DLBZAZTESA-N 0 0 324.428 3.261 10 30 DGEERN C=C(C)CCNS(=O)(=O)c1cc(Br)ccc1C ZINC000386652541 1197707888 /nfs/dbraw/zinc/70/78/88/1197707888.db2.gz BXVPZXOOCOFDBE-UHFFFAOYSA-N 0 0 318.236 3.002 10 30 DGEERN N#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(F)c1Br ZINC000300427520 1199354101 /nfs/dbraw/zinc/35/41/01/1199354101.db2.gz LLPAVUAEXNGASR-MGCOHNPYSA-N 0 0 313.170 3.175 10 30 DGEERN C[C@H](Nc1ccc(C#N)c(Br)c1)c1ccnn1C ZINC000306101432 1199694121 /nfs/dbraw/zinc/69/41/21/1199694121.db2.gz PNYWFXQVXGYDBO-VIFPVBQESA-N 0 0 305.179 3.227 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)c2cccc(Br)n2)c1 ZINC000308117469 1199702303 /nfs/dbraw/zinc/70/23/03/1199702303.db2.gz AGPBKCKYKGBADN-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN Cc1nccc(CNc2cc(Br)ccc2C#N)n1 ZINC000123216412 1200275653 /nfs/dbraw/zinc/27/56/53/1200275653.db2.gz PUNTXKLQYRTDAV-UHFFFAOYSA-N 0 0 303.163 3.031 10 30 DGEERN CC[C@@H]1CO[C@@H](C)CN1c1cc(Br)ccc1C#N ZINC000123142981 1200276075 /nfs/dbraw/zinc/27/60/75/1200276075.db2.gz JYXWQDWKZNPLQV-GXFFZTMASA-N 0 0 309.207 3.324 10 30 DGEERN Cc1n[nH]cc1CCCNc1cc(Br)ccc1C#N ZINC000124434377 1200352088 /nfs/dbraw/zinc/35/20/88/1200352088.db2.gz FUVFZTZSSYECET-UHFFFAOYSA-N 0 0 319.206 3.397 10 30 DGEERN C#CCOc1cccc(NC(=O)c2cn(CC)nc2C(C)C)c1 ZINC000131777017 1201159257 /nfs/dbraw/zinc/15/92/57/1201159257.db2.gz ZWDVWDUBPALSSY-UHFFFAOYSA-N 0 0 311.385 3.291 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000139313996 1202447286 /nfs/dbraw/zinc/44/72/86/1202447286.db2.gz PHGASIMVAQERFD-CYBMUJFWSA-N 0 0 306.365 3.486 10 30 DGEERN C#CCN(CC1CC1)C(=O)c1cc(C)c(Br)s1 ZINC000156789262 1202601379 /nfs/dbraw/zinc/60/13/79/1202601379.db2.gz NLJMTRROSDDXTK-UHFFFAOYSA-N 0 0 312.232 3.304 10 30 DGEERN CC[C@@H](C)NC(=O)[C@H](C)Nc1cc(Br)ccc1C#N ZINC000233853415 1202603022 /nfs/dbraw/zinc/60/30/22/1202603022.db2.gz DMBFEXPGEIKKCY-ZJUUUORDSA-N 0 0 324.222 3.036 10 30 DGEERN C=CCOc1cccc(CNc2ccc(-n3cncn3)cc2)c1 ZINC000158910040 1202604315 /nfs/dbraw/zinc/60/43/15/1202604315.db2.gz LNDXBUHJJBWWCC-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000246507748 1203743368 /nfs/dbraw/zinc/74/33/68/1203743368.db2.gz SZYWIZXWLFHGBD-BHTHQVBYSA-N 0 0 312.369 3.130 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)cc1 ZINC000246507755 1203743486 /nfs/dbraw/zinc/74/34/86/1203743486.db2.gz SZYWIZXWLFHGBD-KNPMLCFXSA-N 0 0 312.369 3.130 10 30 DGEERN Cc1noc([C@H](NC(=O)Nc2cc(C#N)ccc2C)C(C)C)n1 ZINC000171912321 1203857624 /nfs/dbraw/zinc/85/76/24/1203857624.db2.gz SHHCVRHBLQGFSH-CQSZACIVSA-N 0 0 313.361 3.077 10 30 DGEERN N#C[C@H]1CC[C@@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000179935174 1204324769 /nfs/dbraw/zinc/32/47/69/1204324769.db2.gz ZKYPKZBQUDQXQT-XHDPSFHLSA-N 0 0 323.352 3.463 10 30 DGEERN C#CC[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000183322123 1204346371 /nfs/dbraw/zinc/34/63/71/1204346371.db2.gz FWIPRRQBXVZGMO-OAHLLOKOSA-N 0 0 321.376 3.038 10 30 DGEERN COc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1O ZINC000588410415 1082170034 /nfs/dbraw/zinc/17/00/34/1082170034.db2.gz YXNMHNOKSNDJNP-UTCJRWHESA-N 0 0 300.310 3.011 10 30 DGEERN C/C(=C/C(=O)OCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000588411693 1082174805 /nfs/dbraw/zinc/17/48/05/1082174805.db2.gz GDOCLKQHBGWFQY-RAXLEYEMSA-N 0 0 303.333 3.093 10 30 DGEERN COc1ccc(/C=C(/C)C(=O)NCc2cccc(C#N)c2)cc1F ZINC000588436448 1082268491 /nfs/dbraw/zinc/26/84/91/1082268491.db2.gz PMSGZEXCNRZKIY-JYRVWZFOSA-N 0 0 324.355 3.426 10 30 DGEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1ccccn1 ZINC000588447286 1082295009 /nfs/dbraw/zinc/29/50/09/1082295009.db2.gz KNXCWJGLUXSWIF-WQTVUKCASA-N 0 0 307.309 3.270 10 30 DGEERN CCc1ccc(C=NOCc2cc(-c3cnn(C)c3)no2)cc1 ZINC000588483035 1082429285 /nfs/dbraw/zinc/42/92/85/1082429285.db2.gz ONYQRXMUUDPQSX-UHFFFAOYSA-N 0 0 310.357 3.188 10 30 DGEERN Cc1nc(/C=C\c2cocn2)sc1C(=O)/C=C/c1cocn1 ZINC000588561377 1082636721 /nfs/dbraw/zinc/63/67/21/1082636721.db2.gz BHYFVTDFVLEUJG-HZDAAVBUSA-N 0 0 313.338 3.494 10 30 DGEERN O=C1c2cc(Br)cc(F)c2OC/C1=C/c1cocn1 ZINC000588578556 1082728507 /nfs/dbraw/zinc/72/85/07/1082728507.db2.gz DJJFUTNSAWESIT-XFSBKJJWSA-N 0 0 324.105 3.235 10 30 DGEERN Cc1c(C(=O)/C=C\c2cocn2)nnn1-c1ccc(Cl)cc1 ZINC000588578481 1082728989 /nfs/dbraw/zinc/72/89/89/1082728989.db2.gz JJLOBZXOLCZIPD-DAXSKMNVSA-N 0 0 314.732 3.113 10 30 DGEERN O=C1c2cc(Br)ccc2OCC/C1=C\c1cocn1 ZINC000588580677 1082745602 /nfs/dbraw/zinc/74/56/02/1082745602.db2.gz AYFXJIUFSDMTLT-WEVVVXLNSA-N 0 0 320.142 3.486 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccccc1SC(F)F ZINC000176533331 1087893179 /nfs/dbraw/zinc/89/31/79/1087893179.db2.gz FOYOPGXRCAYYFC-UHFFFAOYSA-N 0 0 307.325 3.464 10 30 DGEERN CCOc1ccc(CC(=O)OCC#Cc2cccc(OC)c2)cc1 ZINC000176600919 1088159233 /nfs/dbraw/zinc/15/92/33/1088159233.db2.gz OJYABDLAVPWEJK-UHFFFAOYSA-N 0 0 324.376 3.231 10 30 DGEERN COc1cccc(C#CCOC(=O)CCOCc2ccccc2)c1 ZINC000176607974 1088190282 /nfs/dbraw/zinc/19/02/82/1088190282.db2.gz ZVHFAQONAFISJN-UHFFFAOYSA-N 0 0 324.376 3.197 10 30 DGEERN COc1cccc(C#CCOC(=O)CCc2cccs2)c1 ZINC000176605560 1088192076 /nfs/dbraw/zinc/19/20/76/1088192076.db2.gz VSFUPGZHDUMDFH-UHFFFAOYSA-N 0 0 300.379 3.284 10 30 DGEERN CC1(C)OCC[C@H]1Nc1ccc(C#N)c(Br)c1F ZINC000328291265 1098127230 /nfs/dbraw/zinc/12/72/30/1098127230.db2.gz BTJIPUMSOGPOCP-SNVBAGLBSA-N 0 0 313.170 3.439 10 30 DGEERN C=CCc1cc(CNc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000076274842 1099837271 /nfs/dbraw/zinc/83/72/71/1099837271.db2.gz QOIUIVCHOBDIBK-UHFFFAOYSA-N 0 0 313.353 3.470 10 30 DGEERN C=CC[C@H]1N(C(=O)Cc2cccc(OC)n2)CCCC1(C)C ZINC000338883006 1102112161 /nfs/dbraw/zinc/11/21/61/1102112161.db2.gz LBYJAKCKAIUXEG-OAHLLOKOSA-N 0 0 302.418 3.226 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000278696982 214333616 /nfs/dbraw/zinc/33/36/16/214333616.db2.gz JGKNMCANTHGFPG-NSHDSACASA-N 0 0 303.337 3.094 10 30 DGEERN C[C@H]1CN(Cc2ccc(Br)cc2C#N)CCS1 ZINC000310412706 231113794 /nfs/dbraw/zinc/11/37/94/231113794.db2.gz XDLQMACRSLTJOF-JTQLQIEISA-N 0 0 311.248 3.258 10 30 DGEERN CC[C@@H](CC#N)NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000183799809 529444947 /nfs/dbraw/zinc/44/49/47/529444947.db2.gz DNLUMSSEXWOHON-HNNXBMFYSA-N 0 0 320.820 3.197 10 30 DGEERN N#Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202663 185287114 /nfs/dbraw/zinc/28/71/14/185287114.db2.gz UHWLQFVCESCQET-INIZCTEOSA-N 0 0 324.771 3.474 10 30 DGEERN COc1ccc(-c2oc3cc(OC)ccc3c(=O)c2C#N)cc1 ZINC000090547545 185301982 /nfs/dbraw/zinc/30/19/82/185301982.db2.gz FHQXBDUINMIKRR-UHFFFAOYSA-N 0 0 307.305 3.349 10 30 DGEERN CCCN(Cc1ccc(C#N)o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000092710627 185335849 /nfs/dbraw/zinc/33/58/49/185335849.db2.gz CUIXUHHUEVGZDW-CQSZACIVSA-N 0 0 311.385 3.390 10 30 DGEERN CCc1nc(C(C)(C)NCC#Cc2ccc(Cl)cc2)no1 ZINC000441242142 529713904 /nfs/dbraw/zinc/71/39/04/529713904.db2.gz FHERUNSBDXTTHX-UHFFFAOYSA-N 0 0 303.793 3.162 10 30 DGEERN CCc1nc(CNC(=O)Nc2cccc(C#N)c2C)cs1 ZINC000178572950 529739094 /nfs/dbraw/zinc/73/90/94/529739094.db2.gz LYLKGYSZEHGWFL-UHFFFAOYSA-N 0 0 300.387 3.207 10 30 DGEERN COc1c(CNc2ccc(OC(C)C)c(C#N)c2)c(C)nn1C ZINC000181527123 199311639 /nfs/dbraw/zinc/31/16/39/199311639.db2.gz GLGJFFHEYWCOSV-UHFFFAOYSA-N 0 0 314.389 3.008 10 30 DGEERN C=CCn1c(SCc2cn3ccsc3n2)nnc1C1CC1 ZINC000064308248 432008229 /nfs/dbraw/zinc/00/82/29/432008229.db2.gz MJOUJCQZKKYGHO-UHFFFAOYSA-N 0 0 317.443 3.343 10 30 DGEERN CN(Cc1ccc(O)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180573642 529989278 /nfs/dbraw/zinc/98/92/78/529989278.db2.gz DUPUGSOQNUWAJK-UHFFFAOYSA-N 0 0 306.365 3.220 10 30 DGEERN N#Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000114997073 185655100 /nfs/dbraw/zinc/65/51/00/185655100.db2.gz UESYTZOVSCRVHJ-UHFFFAOYSA-N 0 0 305.381 3.048 10 30 DGEERN N#Cc1nc(NCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000236057281 201923406 /nfs/dbraw/zinc/92/34/06/201923406.db2.gz IMAKEVCFPVNVRW-UHFFFAOYSA-N 0 0 302.721 3.169 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000130173302 432017234 /nfs/dbraw/zinc/01/72/34/432017234.db2.gz GIAILOIOYOASIJ-HXUWFJFHSA-N 0 0 320.392 3.255 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000448827238 282566285 /nfs/dbraw/zinc/56/62/85/282566285.db2.gz BMVDFQHICRIRQI-UHFFFAOYSA-N 0 0 313.788 3.488 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000451002876 282567210 /nfs/dbraw/zinc/56/72/10/282567210.db2.gz KFMVAVRFTOESJN-JKSUJKDBSA-N 0 0 307.397 3.038 10 30 DGEERN COCC[C@H](Nc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000127124317 185918710 /nfs/dbraw/zinc/91/87/10/185918710.db2.gz FBCPJBNXVJQOMA-AWEZNQCLSA-N 0 0 302.765 3.191 10 30 DGEERN N#Cc1ccc(NC(=O)c2cccc(OCC(F)(F)F)n2)cc1 ZINC000129984726 185926117 /nfs/dbraw/zinc/92/61/17/185926117.db2.gz LEMNDSDRNMVXJB-UHFFFAOYSA-N 0 0 321.258 3.147 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172119455 198042348 /nfs/dbraw/zinc/04/23/48/198042348.db2.gz LMEXRWHNVJSDOU-KBOKABMXSA-N 0 0 306.369 3.048 10 30 DGEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000172147826 198047657 /nfs/dbraw/zinc/04/76/57/198047657.db2.gz GVBUQNVLOIOBNI-LLVKDONJSA-N 0 0 324.808 3.147 10 30 DGEERN C=C(CSc1nnc(-c2ccc(C)cc2)o1)C(=O)OCC ZINC000172293619 198072879 /nfs/dbraw/zinc/07/28/79/198072879.db2.gz SPFXYDRNGWPFSU-UHFFFAOYSA-N 0 0 304.371 3.256 10 30 DGEERN C=CCCCN(C)C(=O)NCCSCc1ccccc1C#N ZINC000172347303 198083728 /nfs/dbraw/zinc/08/37/28/198083728.db2.gz FKIXQFCPBHAKIP-UHFFFAOYSA-N 0 0 317.458 3.399 10 30 DGEERN C#CCOc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000172728877 198141710 /nfs/dbraw/zinc/14/17/10/198141710.db2.gz ZPWVRFKKJQJYBF-CYBMUJFWSA-N 0 0 311.303 3.113 10 30 DGEERN COCc1noc([C@@H](C)SCc2ccc(OC)c(C#N)c2)n1 ZINC000182055581 199379980 /nfs/dbraw/zinc/37/99/80/199379980.db2.gz JBSWNXXEIIZZDW-SNVBAGLBSA-N 0 0 319.386 3.091 10 30 DGEERN N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000002634947 180942185 /nfs/dbraw/zinc/94/21/85/180942185.db2.gz TYDDUVFUIBKIET-XIKOKIGWSA-N 0 0 303.321 3.240 10 30 DGEERN CC(C)c1nnc2n1C[C@@H](Nc1c(Cl)cccc1C#N)CC2 ZINC000174713742 198373795 /nfs/dbraw/zinc/37/37/95/198373795.db2.gz UARUKUVQIGPODT-LBPRGKRZSA-N 0 0 315.808 3.353 10 30 DGEERN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000003010711 180976679 /nfs/dbraw/zinc/97/66/79/180976679.db2.gz BJTHJERRJQRMJB-QGZVFWFLSA-N 0 0 315.369 3.201 10 30 DGEERN Clc1nc2sccn2c1/C=N/n1cnc2ccccc21 ZINC000004005181 181061524 /nfs/dbraw/zinc/06/15/24/181061524.db2.gz HPJLFSDWHCCGIL-FRKPEAEDSA-N 0 0 301.762 3.281 10 30 DGEERN C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)CC1=CC(=O)CC[C@@]13C ZINC000004096677 181072914 /nfs/dbraw/zinc/07/29/14/181072914.db2.gz LFWLQMQUJQUZBD-TYHLISGHSA-N 0 0 302.414 3.058 10 30 endogenous,in-man DGEERN CS/C(=N\C#N)SCn1c2ccc(Cl)cc2oc1=O ZINC000004290353 181092967 /nfs/dbraw/zinc/09/29/67/181092967.db2.gz BMUGILSXYDBILR-GXDHUFHOSA-N 0 0 313.791 3.139 10 30 DGEERN N#Cc1ccc2ncc(CNc3cccc(-c4cc[nH]n4)c3)n2c1 ZINC000179070395 432038170 /nfs/dbraw/zinc/03/81/70/432038170.db2.gz BISLWYQPCZVILK-UHFFFAOYSA-N 0 0 314.352 3.208 10 30 DGEERN C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000176859065 198630074 /nfs/dbraw/zinc/63/00/74/198630074.db2.gz CGPURKINVNJYAR-XEZPLFJOSA-N 0 0 306.381 3.262 10 30 DGEERN C=CCn1c(SCC(=O)C2CC2)nnc1-c1ccoc1C ZINC000068043654 432050213 /nfs/dbraw/zinc/05/02/13/432050213.db2.gz HHLXKJFESFACJH-UHFFFAOYSA-N 0 0 303.387 3.104 10 30 DGEERN N#Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000025529334 283126765 /nfs/dbraw/zinc/12/67/65/283126765.db2.gz DAXJWBPXVPLJHK-UHFFFAOYSA-N 0 0 319.339 3.377 10 30 DGEERN C=CCNC(=O)c1ccc(-c2ccc(C(=O)NCC=C)cc2)cc1 ZINC000005283086 181226284 /nfs/dbraw/zinc/22/62/84/181226284.db2.gz STKAUMNBGSAMIM-UHFFFAOYSA-N 0 0 320.392 3.185 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2cc(C#N)ccn2)C1 ZINC000085332974 192491623 /nfs/dbraw/zinc/49/16/23/192491623.db2.gz SQLPLWFCPCURNO-ZDUSSCGKSA-N 0 0 319.430 3.445 10 30 DGEERN C=CC[C@@]1(O)c2ccccc2N(Cc2ccc(OC)cc2)C1=O ZINC000085348024 192493502 /nfs/dbraw/zinc/49/35/02/192493502.db2.gz OYKPTRCNNHJRBE-LJQANCHMSA-N 0 0 309.365 3.006 10 30 DGEERN CC(C)Oc1ccc(NC(=O)c2cc(C#N)cn2C)c(F)c1 ZINC000081061472 192220431 /nfs/dbraw/zinc/22/04/31/192220431.db2.gz MZTNVUJFSAEZSH-UHFFFAOYSA-N 0 0 301.321 3.075 10 30 DGEERN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000247574696 283166969 /nfs/dbraw/zinc/16/69/69/283166969.db2.gz XGITVPMJQNKGGG-SJORKVTESA-N 0 0 321.380 3.094 10 30 DGEERN C=C1C[C@]23CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]2C[C@H]1[C@H](O)C3=O ZINC000005808860 181285670 /nfs/dbraw/zinc/28/56/70/181285670.db2.gz UQKJSKXVMBIKGF-SVSSMPNYSA-N 0 0 316.441 3.304 10 30 DGEERN Cc1cc(NC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)no1 ZINC000179458406 432059233 /nfs/dbraw/zinc/05/92/33/432059233.db2.gz YVHKJSARVHEBKI-GFCCVEGCSA-N 0 0 324.365 3.352 10 30 DGEERN Cc1ccc([C@H]2CN(Cc3ccc(C#N)cc3F)CCO2)o1 ZINC000179510950 432061316 /nfs/dbraw/zinc/06/13/16/432061316.db2.gz IFNVGMQVQUODRA-QGZVFWFLSA-N 0 0 300.333 3.172 10 30 DGEERN N#Cc1ccc(S(=O)(=O)NCCC2CCCC2)cc1Cl ZINC000168524693 432069240 /nfs/dbraw/zinc/06/92/40/432069240.db2.gz BDCRTFBYBQNEQJ-UHFFFAOYSA-N 0 0 312.822 3.070 10 30 DGEERN C/C(=C\c1ccccc1)CN1CCN(c2ncccc2C#N)CC1 ZINC000179845632 432072782 /nfs/dbraw/zinc/07/27/82/432072782.db2.gz GEYWVKQQHQVGTJ-SAPNQHFASA-N 0 0 318.424 3.179 10 30 DGEERN COc1cccc(CN=Nc2c(F)c(F)cc(F)c2F)c1O ZINC000005918730 181296005 /nfs/dbraw/zinc/29/60/05/181296005.db2.gz WGHJMOHVSISDDZ-KPSZGOFPSA-N 0 0 314.238 3.403 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000187390335 200106109 /nfs/dbraw/zinc/10/61/09/200106109.db2.gz CODNDTAPKHZDLY-CQSZACIVSA-N 0 0 301.781 3.057 10 30 DGEERN CN(CC1(CO)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000189103447 200349054 /nfs/dbraw/zinc/34/90/54/200349054.db2.gz PKQYBQYPLFFETH-UHFFFAOYSA-N 0 0 320.392 3.070 10 30 DGEERN C=CCCN(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000276123707 212686693 /nfs/dbraw/zinc/68/66/93/212686693.db2.gz HKEVLIHQKVCMEQ-UHFFFAOYSA-N 0 0 317.364 3.241 10 30 DGEERN Cc1nnc([C@H](N[C@H](C)c2ccc(C#N)s2)c2ccccc2)[nH]1 ZINC000134874701 432088389 /nfs/dbraw/zinc/08/83/89/432088389.db2.gz PHOZNRDFZOIDCK-BDJLRTHQSA-N 0 0 323.425 3.487 10 30 DGEERN CCN(C(=O)[C@H]1CCCO[C@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000191932374 200782798 /nfs/dbraw/zinc/78/27/98/200782798.db2.gz HGDDMVLGDNTTCV-FZMZJTMJSA-N 0 0 306.793 3.380 10 30 DGEERN Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(C#N)ccn1 ZINC000435994131 238380413 /nfs/dbraw/zinc/38/04/13/238380413.db2.gz NUDOXHKDVRYQHT-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000436014306 238383483 /nfs/dbraw/zinc/38/34/83/238383483.db2.gz FDBOXHGPCNRPNH-GHMZBOCLSA-N 0 0 317.270 3.113 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cnc(Cc3ccccc3)s2)c1 ZINC000436011514 238383578 /nfs/dbraw/zinc/38/35/78/238383578.db2.gz PSSYONUMMDITPY-UHFFFAOYSA-N 0 0 320.377 3.253 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193379768 201041635 /nfs/dbraw/zinc/04/16/35/201041635.db2.gz IBUHSDPYGVMCGG-SJKOYZFVSA-N 0 0 309.344 3.316 10 30 DGEERN COc1ccc(COc2ccc(OC)c(C(C)=O)c2)cc1C#N ZINC000180708388 432096407 /nfs/dbraw/zinc/09/64/07/432096407.db2.gz SPUWNVVCICQJKC-UHFFFAOYSA-N 0 0 311.337 3.357 10 30 DGEERN N#CCSC1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1 ZINC000006339727 181331591 /nfs/dbraw/zinc/33/15/91/181331591.db2.gz TUXPSVNHXXRTCB-KAMYIIQDSA-N 0 0 309.350 3.280 10 30 DGEERN CCc1ccc(C2=CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 ZINC000193746170 201117400 /nfs/dbraw/zinc/11/74/00/201117400.db2.gz GBSLDDDLWYDTLL-UHFFFAOYSA-N 0 0 317.392 3.445 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000194085977 201175863 /nfs/dbraw/zinc/17/58/63/201175863.db2.gz DFHXIQZACDZUNL-RDJZCZTQSA-N 0 0 305.381 3.094 10 30 DGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000440989274 239000355 /nfs/dbraw/zinc/00/03/55/239000355.db2.gz SPOCJHMMGOGADI-WTIISPKJSA-N 0 0 317.355 3.299 10 30 DGEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)ccc1Br ZINC000194978324 201319733 /nfs/dbraw/zinc/31/97/33/201319733.db2.gz UZXRFLUWNZSKNI-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000069178005 283726734 /nfs/dbraw/zinc/72/67/34/283726734.db2.gz BXMHWHCTJSFCGC-UHFFFAOYSA-N 0 0 312.373 3.119 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000135114158 432100822 /nfs/dbraw/zinc/10/08/22/432100822.db2.gz XBMGZCGCTIAXMJ-BLLLJJGKSA-N 0 0 307.825 3.032 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000248603246 202750944 /nfs/dbraw/zinc/75/09/44/202750944.db2.gz OLPSXBSCCGCTSL-RZLSGREXSA-N 0 0 300.402 3.266 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000448882060 239916517 /nfs/dbraw/zinc/91/65/17/239916517.db2.gz CFJBQRAQDUXUKB-UHFFFAOYSA-N 0 0 313.788 3.012 10 30 DGEERN CCN(C(=O)c1ccc(C#N)n1C)C12CC3CC(CC(C3)C1)C2 ZINC000448950772 239944605 /nfs/dbraw/zinc/94/46/05/239944605.db2.gz ADJYDXOPWGXRAE-UHFFFAOYSA-N 0 0 311.429 3.328 10 30 DGEERN COCCCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091050181 192976146 /nfs/dbraw/zinc/97/61/46/192976146.db2.gz CETIJOQLZWGRLP-UHFFFAOYSA-N 0 0 308.381 3.268 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC000189911491 432104847 /nfs/dbraw/zinc/10/48/47/432104847.db2.gz SURYMSAHGLJZCV-GJZGRUSLSA-N 0 0 301.386 3.286 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000077998520 283856994 /nfs/dbraw/zinc/85/69/94/283856994.db2.gz ZHYFJADKXARPIM-ZDUSSCGKSA-N 0 0 319.364 3.456 10 30 DGEERN C=CCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C(=O)OCC ZINC000091692019 193093079 /nfs/dbraw/zinc/09/30/79/193093079.db2.gz JLDVDFXBEXOTRI-JTQLQIEISA-N 0 0 307.337 3.044 10 30 DGEERN CCCCN(Cc1cnc2ccc(C#N)cn12)CC(F)(F)F ZINC000091950998 193131574 /nfs/dbraw/zinc/13/15/74/193131574.db2.gz JXZWYXYMOHFPPS-UHFFFAOYSA-N 0 0 310.323 3.370 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000451002873 240968940 /nfs/dbraw/zinc/96/89/40/240968940.db2.gz KFMVAVRFTOESJN-CVEARBPZSA-N 0 0 307.397 3.038 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000451338873 241088200 /nfs/dbraw/zinc/08/82/00/241088200.db2.gz IKGKANGAYQNDSH-HIFRSBDPSA-N 0 0 311.360 3.102 10 30 DGEERN C=CCC1(C(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)CCCCC1 ZINC000451369378 241098984 /nfs/dbraw/zinc/09/89/84/241098984.db2.gz MZTLCZRNIYJVKI-VQIMIIECSA-N 0 0 321.461 3.310 10 30 DGEERN CCC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451391312 241106600 /nfs/dbraw/zinc/10/66/00/241106600.db2.gz CMXYJDNZWWAESE-INIZCTEOSA-N 0 0 324.421 3.182 10 30 DGEERN C=CCCc1ccccc1NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000451456896 241127934 /nfs/dbraw/zinc/12/79/34/241127934.db2.gz MDKFYDSYDPLFMF-DOTOQJQBSA-N 0 0 303.402 3.185 10 30 DGEERN C=CCCc1ccccc1NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000451456899 241129061 /nfs/dbraw/zinc/12/90/61/241129061.db2.gz MDKFYDSYDPLFMF-WBVHZDCISA-N 0 0 303.402 3.185 10 30 DGEERN Cc1[nH]c(C#N)cc1C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000452268203 241367324 /nfs/dbraw/zinc/36/73/24/241367324.db2.gz MQEGQQFMHLIBGM-UHFFFAOYSA-N 0 0 311.389 3.228 10 30 DGEERN CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(C#N)cn2C)c1 ZINC000081014943 283907604 /nfs/dbraw/zinc/90/76/04/283907604.db2.gz JHKNMZDXQBGDDW-ZDUSSCGKSA-N 0 0 311.385 3.175 10 30 DGEERN CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(C#N)cn1C ZINC000081080000 283909543 /nfs/dbraw/zinc/90/95/43/283909543.db2.gz QAMGWICGFNDFBK-OAHLLOKOSA-N 0 0 311.385 3.177 10 30 DGEERN CCSc1ccc([C@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081154656 283910992 /nfs/dbraw/zinc/91/09/92/283910992.db2.gz QQFVWYOOJHWAFU-LBPRGKRZSA-N 0 0 313.426 3.500 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000081547499 283920304 /nfs/dbraw/zinc/92/03/04/283920304.db2.gz YTKIWMZHCAKHHO-IRXDYDNUSA-N 0 0 307.397 3.038 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1Cl ZINC000081547288 283920308 /nfs/dbraw/zinc/92/03/08/283920308.db2.gz ZZIPFPBWWPCBPC-SECBINFHSA-N 0 0 305.740 3.180 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000081547497 283920318 /nfs/dbraw/zinc/92/03/18/283920318.db2.gz YTKIWMZHCAKHHO-SJORKVTESA-N 0 0 307.397 3.038 10 30 DGEERN C=C(C)Cn1c(N2CC[C@@H](CC)C2)nnc1[C@]1(C)CCCO1 ZINC000453462508 241795824 /nfs/dbraw/zinc/79/58/24/241795824.db2.gz HBWAHRVEXSAKKR-PBHICJAKSA-N 0 0 304.438 3.116 10 30 DGEERN N#CC1CCC(CNC(=O)NC[C@H]2CCCCC2(F)F)CC1 ZINC000454911406 242063101 /nfs/dbraw/zinc/06/31/01/242063101.db2.gz MACOYIQUWVSTPL-JXQTWKCFSA-N 0 0 313.392 3.441 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000454702301 242014606 /nfs/dbraw/zinc/01/46/06/242014606.db2.gz YAEHAXHXZBNAAN-INIZCTEOSA-N 0 0 324.371 3.234 10 30 DGEERN COc1ccc(CS[C@@H](C)C(=O)N2CCCCC2)cc1C#N ZINC000135318908 432111765 /nfs/dbraw/zinc/11/17/65/432111765.db2.gz WHCOCRIKNMQBIY-ZDUSSCGKSA-N 0 0 318.442 3.201 10 30 DGEERN CC#CCN(C)C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000455073242 242101617 /nfs/dbraw/zinc/10/16/17/242101617.db2.gz GVMYPHGAEZALNH-UHFFFAOYSA-N 0 0 302.374 3.129 10 30 DGEERN COc1ccc(CS[C@H](C)C(=O)N2CCCCC2)cc1C#N ZINC000135318926 432112296 /nfs/dbraw/zinc/11/22/96/432112296.db2.gz WHCOCRIKNMQBIY-CYBMUJFWSA-N 0 0 318.442 3.201 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000455214802 242136089 /nfs/dbraw/zinc/13/60/89/242136089.db2.gz SSZVPIGKBDVAFO-UHFFFAOYSA-N 0 0 313.405 3.050 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2CCC[C@](C)(F)C2)cc1 ZINC000455055050 242097088 /nfs/dbraw/zinc/09/70/88/242097088.db2.gz WCFCCBOTMZPXJK-KRWDZBQOSA-N 0 0 306.381 3.285 10 30 DGEERN C=CC(C)(C)CNC(=O)Cc1sccc1Br ZINC000456112502 242351575 /nfs/dbraw/zinc/35/15/75/242351575.db2.gz DBWVJPJNWCMXGQ-UHFFFAOYSA-N 0 0 302.237 3.382 10 30 DGEERN COc1ccc(CS[C@H](C)C(=O)NCCC(C)C)cc1C#N ZINC000135342192 432114241 /nfs/dbraw/zinc/11/42/41/432114241.db2.gz BDSLKSIALCQECZ-CYBMUJFWSA-N 0 0 320.458 3.351 10 30 DGEERN C[C@@](O)(CNC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000455910645 242310655 /nfs/dbraw/zinc/31/06/55/242310655.db2.gz UMRNUSHBBITAMA-GOSISDBHSA-N 0 0 315.417 3.205 10 30 DGEERN C=CCC1(CNC(=O)[C@H](C)Oc2cccc(CO)c2)CCCC1 ZINC000456484198 242467073 /nfs/dbraw/zinc/46/70/73/242467073.db2.gz IUYCCLCCHOKGOZ-HNNXBMFYSA-N 0 0 317.429 3.199 10 30 DGEERN C=CCC1(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CCCCC1 ZINC000458562315 243091409 /nfs/dbraw/zinc/09/14/09/243091409.db2.gz YBXDLXLSHUIRRQ-ZDUSSCGKSA-N 0 0 304.438 3.227 10 30 DGEERN C=CC(C)(C)CNC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000458987842 243220903 /nfs/dbraw/zinc/22/09/03/243220903.db2.gz MXCSUBCNJMVOEW-UHFFFAOYSA-N 0 0 323.481 3.021 10 30 DGEERN C=C(C)CCNC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000459004418 243224051 /nfs/dbraw/zinc/22/40/51/243224051.db2.gz PKKGYMMUSXQSTN-UHFFFAOYSA-N 0 0 318.417 3.344 10 30 DGEERN C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)C[C@@H](c2ccccc2)O1 ZINC000459261650 243305042 /nfs/dbraw/zinc/30/50/42/243305042.db2.gz SCWVLMJFBIVFME-ZBFHGGJFSA-N 0 0 315.417 3.098 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cnc(C2CC2)nc1 ZINC000459317533 243331502 /nfs/dbraw/zinc/33/15/02/243331502.db2.gz BABWLSNTXMOHFM-UHFFFAOYSA-N 0 0 324.384 3.450 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C ZINC000461236905 243590309 /nfs/dbraw/zinc/59/03/09/243590309.db2.gz JDDDFITYVFQSEH-LLVKDONJSA-N 0 0 318.808 3.098 10 30 DGEERN C=CCNC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000563778100 335006070 /nfs/dbraw/zinc/00/60/70/335006070.db2.gz YKJSEZLVSJMHSW-CYBMUJFWSA-N 0 0 300.427 3.368 10 30 DGEERN COc1cccc([C@H]2CN(Cc3cc(C#N)cs3)CCO2)c1 ZINC000093080378 193200302 /nfs/dbraw/zinc/20/03/02/193200302.db2.gz VHPADYRNIHLTSV-QGZVFWFLSA-N 0 0 314.410 3.202 10 30 DGEERN C=CCC[C@H](O)CN1CCN(CC(F)(F)F)c2ccccc21 ZINC000472569685 244309564 /nfs/dbraw/zinc/30/95/64/244309564.db2.gz ITTJNRYCEFXCEI-ZDUSSCGKSA-N 0 0 314.351 3.202 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](C)C2 ZINC000181252015 432120252 /nfs/dbraw/zinc/12/02/52/432120252.db2.gz ASEZPTWNUIKOSF-VLIAUNLRSA-N 0 0 304.393 3.459 10 30 DGEERN COc1cc(OC)cc(N(C)C(=O)c2ccc(C#N)cc2C)c1 ZINC000190096829 432121678 /nfs/dbraw/zinc/12/16/78/432121678.db2.gz YSAKCKZDEHQLNW-UHFFFAOYSA-N 0 0 310.353 3.161 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000121667418 284203359 /nfs/dbraw/zinc/20/33/59/284203359.db2.gz AODUTFFAIVOMFQ-CYBMUJFWSA-N 0 0 324.355 3.050 10 30 DGEERN Cn1c2cc(NCc3ccc(C#N)cc3F)ccc2ccc1=O ZINC000487198003 245033188 /nfs/dbraw/zinc/03/31/88/245033188.db2.gz JQIRKKDCOCPNQK-UHFFFAOYSA-N 0 0 307.328 3.161 10 30 DGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488990392 245259079 /nfs/dbraw/zinc/25/90/79/245259079.db2.gz ZYOGKVJMVWCTSO-DGCLKSJQSA-N 0 0 308.328 3.020 10 30 DGEERN C=C(C)CN(CC)S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489026608 245264550 /nfs/dbraw/zinc/26/45/50/245264550.db2.gz ZMXIYGXPQWJCDM-UHFFFAOYSA-N 0 0 310.444 3.191 10 30 DGEERN C=CCNC(=S)Nc1cccc(Oc2nc(C)cc(C)n2)c1 ZINC000011640066 181696262 /nfs/dbraw/zinc/69/62/62/181696262.db2.gz BUUDQIDTLGBIEC-UHFFFAOYSA-N 0 0 314.414 3.358 10 30 DGEERN C=CCNC(=S)Nc1ccc(Oc2nc(C)cc(C)n2)cc1 ZINC000011640076 181696769 /nfs/dbraw/zinc/69/67/69/181696769.db2.gz OCCXXRMCUIYEKF-UHFFFAOYSA-N 0 0 314.414 3.358 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000125385096 284274679 /nfs/dbraw/zinc/27/46/79/284274679.db2.gz TZSJVCCYWIIHQJ-UHFFFAOYSA-N 0 0 305.337 3.004 10 30 DGEERN N/C(=N\O)c1ccccc1OCc1ccc(Br)cc1 ZINC000019506504 182126628 /nfs/dbraw/zinc/12/66/28/182126628.db2.gz IWKQATISFDNOSB-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN N/C(CCN(Cc1ccc(Cl)cc1)c1ccccc1)=N\O ZINC000019998234 182175993 /nfs/dbraw/zinc/17/59/93/182175993.db2.gz COYUYNCIECQIPZ-UHFFFAOYSA-N 0 0 303.793 3.483 10 30 DGEERN N#Cc1cccnc1Nc1ccc(I)cc1 ZINC000020305689 182204925 /nfs/dbraw/zinc/20/49/25/182204925.db2.gz OJAIXLQOEWADHU-UHFFFAOYSA-N 0 0 321.121 3.301 10 30 DGEERN C=C(C)CCNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000495919429 246327392 /nfs/dbraw/zinc/32/73/92/246327392.db2.gz IXCJQDIXELPSIB-UONOGXRCSA-N 0 0 310.438 3.152 10 30 DGEERN C=CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000274428052 211605956 /nfs/dbraw/zinc/60/59/56/211605956.db2.gz AIEVAVZJBDUVIV-CABCVRRESA-N 0 0 301.386 3.034 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000274343871 211532444 /nfs/dbraw/zinc/53/24/44/211532444.db2.gz BMQQSCZTCACPOF-INIZCTEOSA-N 0 0 323.440 3.486 10 30 DGEERN N#Cc1cc(N)ccc1NC(=O)c1ccc(Br)s1 ZINC000036737797 182839413 /nfs/dbraw/zinc/83/94/13/182839413.db2.gz OWFVODQCAVTXFS-UHFFFAOYSA-N 0 0 322.187 3.217 10 30 DGEERN N#Cc1cc(N)cnc1Nc1ccc(Br)cc1F ZINC000037758960 182924236 /nfs/dbraw/zinc/92/42/36/182924236.db2.gz FVOTYAHVXJTPGK-UHFFFAOYSA-N 0 0 307.126 3.181 10 30 DGEERN N#Cc1c(NC(=O)c2ccccc2)ncn1Cc1ccccc1 ZINC000038781216 183009162 /nfs/dbraw/zinc/00/91/62/183009162.db2.gz VCTVGBIRWQEDDA-UHFFFAOYSA-N 0 0 302.337 3.055 10 30 DGEERN C=C(C)C(=O)NCc1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000040194191 183044681 /nfs/dbraw/zinc/04/46/81/183044681.db2.gz OUAYLCGFQZFBGJ-UHFFFAOYSA-N 0 0 323.371 3.416 10 30 DGEERN C=C(C)Cn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 ZINC000040185235 183044936 /nfs/dbraw/zinc/04/49/36/183044936.db2.gz LYDFKBXRNHXVJJ-UHFFFAOYSA-N 0 0 320.396 3.280 10 30 DGEERN N#C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000040215218 183046129 /nfs/dbraw/zinc/04/61/29/183046129.db2.gz NNCOXEQYZDZPTM-HNNXBMFYSA-N 0 0 300.745 3.100 10 30 DGEERN N#C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000040215217 183046288 /nfs/dbraw/zinc/04/62/88/183046288.db2.gz NNCOXEQYZDZPTM-OAHLLOKOSA-N 0 0 300.745 3.100 10 30 DGEERN C=CCNc1ncnc(Nc2cc(Cl)ccc2OC)c1N ZINC000040702253 183120309 /nfs/dbraw/zinc/12/03/09/183120309.db2.gz IVBQHEWFDWHJSR-UHFFFAOYSA-N 0 0 305.769 3.062 10 30 DGEERN C=CCNc1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040598595 183107883 /nfs/dbraw/zinc/10/78/83/183107883.db2.gz NEEKWXRAVIPYDZ-UHFFFAOYSA-N 0 0 323.312 3.323 10 30 DGEERN CCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC ZINC000043300238 183352547 /nfs/dbraw/zinc/35/25/47/183352547.db2.gz XYHQCLGFWJDLCH-AONBVXOQSA-N 0 0 313.482 3.321 10 30 DGEERN Cc1cnn([C@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)c1 ZINC000106222383 194191655 /nfs/dbraw/zinc/19/16/55/194191655.db2.gz WIEBICFREYBNDO-KRWDZBQOSA-N 0 0 319.412 3.153 10 30 DGEERN CCOc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1F ZINC000106252752 194192906 /nfs/dbraw/zinc/19/29/06/194192906.db2.gz XZZBRCVSXINDTB-UHFFFAOYSA-N 0 0 313.332 3.418 10 30 DGEERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C#N)c3)n2)c1 ZINC000057341984 184034336 /nfs/dbraw/zinc/03/43/36/184034336.db2.gz XUAZRDZDLWPMDJ-UHFFFAOYSA-N 0 0 320.327 3.500 10 30 DGEERN N#Cc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1Cl ZINC000058606639 184124618 /nfs/dbraw/zinc/12/46/18/184124618.db2.gz KRSSLPMGLDRGCK-AWEZNQCLSA-N 0 0 313.744 3.467 10 30 DGEERN N/C(=N/O)c1cc(Sc2cccc(Br)c2)ccn1 ZINC000061814483 184188272 /nfs/dbraw/zinc/18/82/72/184188272.db2.gz IASJTAUBPDOMOT-UHFFFAOYSA-N 0 0 324.203 3.090 10 30 DGEERN C=CCn1c2cc(C(=O)Nc3ccc(OC)cc3)ccc2oc1=O ZINC000064894580 184305858 /nfs/dbraw/zinc/30/58/58/184305858.db2.gz QNHOTWAUHDDVDW-UHFFFAOYSA-N 0 0 324.336 3.041 10 30 DGEERN C=C(CC(C(=O)OCC)C(=O)OCC)c1ccc(F)cc1F ZINC000065740259 184378469 /nfs/dbraw/zinc/37/84/69/184378469.db2.gz ICXSWEPRNMGYGO-UHFFFAOYSA-N 0 0 312.312 3.111 10 30 in-vitro DGEERN CCOc1cc(C#N)ccc1OC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117576277 194832645 /nfs/dbraw/zinc/83/26/45/194832645.db2.gz QJAGQWBENZOHQZ-SGTLLEGYSA-N 0 0 323.348 3.427 10 30 DGEERN CC[C@H](NC(=O)c1cc(C#N)cs1)c1cccc([N+](=O)[O-])c1 ZINC000084188895 252592978 /nfs/dbraw/zinc/59/29/78/252592978.db2.gz KAHNYLKDGNFJSX-ZDUSSCGKSA-N 0 0 315.354 3.409 10 30 DGEERN C=CCCCN(C)C(=O)CCCc1ccc(OC)cc1OC ZINC000269932715 207984601 /nfs/dbraw/zinc/98/46/01/207984601.db2.gz NLZQJOIKZWAENZ-UHFFFAOYSA-N 0 0 305.418 3.451 10 30 DGEERN CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000249394652 285071197 /nfs/dbraw/zinc/07/11/97/285071197.db2.gz SLWLPJJKOMWRQO-CJNGLKHVSA-N 0 0 307.388 3.281 10 30 DGEERN Cc1nsc(NC(=O)c2sc(CC3CC3)nc2C)c1C#N ZINC000333806393 252973423 /nfs/dbraw/zinc/97/34/23/252973423.db2.gz FNODDCAMNYDUQY-UHFFFAOYSA-N 0 0 318.427 3.293 10 30 DGEERN C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCCC1 ZINC000178172766 533040076 /nfs/dbraw/zinc/04/00/76/533040076.db2.gz NFDYNAXALSWLHZ-CYBMUJFWSA-N 0 0 300.402 3.411 10 30 DGEERN Fc1ccc(C#CCN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000156871933 197146741 /nfs/dbraw/zinc/14/67/41/197146741.db2.gz KYDCKIGSDKOCAB-KRWDZBQOSA-N 0 0 301.386 3.312 10 30 DGEERN C[C@H](C1CC1)n1nccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000156684677 197132935 /nfs/dbraw/zinc/13/29/35/197132935.db2.gz XGNLXACZNFVFRL-CYBMUJFWSA-N 0 0 323.400 3.390 10 30 DGEERN C[C@@H](CO)[C@H](C)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000156649840 197129931 /nfs/dbraw/zinc/12/99/31/197129931.db2.gz KWAZXBZBIKIRFT-IUCAKERBSA-N 0 0 307.756 3.328 10 30 DGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCOC1 ZINC000171740813 533155798 /nfs/dbraw/zinc/15/57/98/533155798.db2.gz HQPBJQYOQZXSPG-QWHCGFSZSA-N 0 0 319.430 3.239 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000156040584 197083046 /nfs/dbraw/zinc/08/30/46/197083046.db2.gz XKRVJNNPVSTCHF-UHFFFAOYSA-N 0 0 311.366 3.095 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000155568184 197067412 /nfs/dbraw/zinc/06/74/12/197067412.db2.gz UPYNFJLVGKBOBY-RDJZCZTQSA-N 0 0 304.434 3.149 10 30 DGEERN COc1ncc(C)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181527249 533207546 /nfs/dbraw/zinc/20/75/46/533207546.db2.gz VJCHZZGKXMCHHE-UHFFFAOYSA-N 0 0 307.353 3.206 10 30 DGEERN Cc1coc(-c2cc(NC(=O)c3cc(C#N)cn3C)ccc2C)n1 ZINC000120812655 195242947 /nfs/dbraw/zinc/24/29/47/195242947.db2.gz QPUGFBMNBDTPLK-UHFFFAOYSA-N 0 0 320.352 3.421 10 30 DGEERN CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000256428714 257104797 /nfs/dbraw/zinc/10/47/97/257104797.db2.gz GTFUITFQDGVJSK-VTYCOLDWSA-N 0 0 316.441 3.448 10 30 DGEERN C[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C=O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000238771231 257213190 /nfs/dbraw/zinc/21/31/90/257213190.db2.gz HGSLTWCHZKTSMQ-OFCXZWIOSA-N 0 0 320.473 3.320 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000121891116 195369056 /nfs/dbraw/zinc/36/90/56/195369056.db2.gz QKEIAFZXXKSGCO-HNNXBMFYSA-N 0 0 306.365 3.163 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000122045195 195393794 /nfs/dbraw/zinc/39/37/94/195393794.db2.gz FIEPGIACIOGTSU-UHFFFAOYSA-N 0 0 316.364 3.264 10 30 DGEERN COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1 ZINC000176986494 533366764 /nfs/dbraw/zinc/36/67/64/533366764.db2.gz FSIIEFLGSHACFA-KRWDZBQOSA-N 0 0 312.344 3.043 10 30 DGEERN COC(=O)[C@H](NCC1CCC(C#N)CC1)c1ccccc1Cl ZINC000442111112 533331076 /nfs/dbraw/zinc/33/10/76/533331076.db2.gz FSILZXUZJBJAKL-SEEARECTSA-N 0 0 320.820 3.474 10 30 DGEERN C=C(C)CS(=O)(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000490458945 533526143 /nfs/dbraw/zinc/52/61/43/533526143.db2.gz GAUIFALJTZALJL-UHFFFAOYSA-N 0 0 319.401 3.488 10 30 DGEERN COc1cccc(OCCNc2cc(C#N)ccc2C(C)=O)c1 ZINC000302103386 533665303 /nfs/dbraw/zinc/66/53/03/533665303.db2.gz MCTOGAUDXOABME-UHFFFAOYSA-N 0 0 310.353 3.260 10 30 DGEERN Cc1ccc(C#N)cc1S(=O)(=O)NC1CCC(C)(C)CC1 ZINC000079679372 292046485 /nfs/dbraw/zinc/04/64/85/292046485.db2.gz FNIVRFPCKWRKNT-UHFFFAOYSA-N 0 0 306.431 3.114 10 30 DGEERN CO[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1C ZINC000300013699 285775517 /nfs/dbraw/zinc/77/55/17/285775517.db2.gz QGHPNTRRJZLHQK-QMTHXVAHSA-N 0 0 309.207 3.182 10 30 DGEERN Cc1nn(Cc2ccc(C)c(C#N)c2)c(C)c1Br ZINC000600528461 400088598 /nfs/dbraw/zinc/08/85/98/400088598.db2.gz XUYLPUIPMSYKCB-UHFFFAOYSA-N 0 0 304.191 3.491 10 30 DGEERN C#C[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)c4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000006067757 400091219 /nfs/dbraw/zinc/09/12/19/400091219.db2.gz XFBUZQAUNLRYCT-PDURBABISA-N 0 0 312.409 3.104 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000581675096 400082476 /nfs/dbraw/zinc/08/24/76/400082476.db2.gz HTHKVYUMNCJORQ-CQSZACIVSA-N 0 0 320.437 3.182 10 30 DGEERN CS(=O)(=O)N1c2ccccc2CC[C@H]1c1cccc(C#N)c1 ZINC000616596001 400180280 /nfs/dbraw/zinc/18/02/80/400180280.db2.gz OXYGVUVFOCPHAL-KRWDZBQOSA-N 0 0 312.394 3.012 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1C ZINC000328615825 400182283 /nfs/dbraw/zinc/18/22/83/400182283.db2.gz BBGVYVSWSHRIMC-NVXWUHKLSA-N 0 0 313.401 3.446 10 30 DGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)NCc1cscn1 ZINC000328620675 400182399 /nfs/dbraw/zinc/18/23/99/400182399.db2.gz HHHBOHAHSGKXIZ-JTQLQIEISA-N 0 0 322.459 3.032 10 30 DGEERN CCc1nn(C)cc1C(=O)NC[C@@H]1CCCc2sc(C)nc21 ZINC000328627791 400182812 /nfs/dbraw/zinc/18/28/12/400182812.db2.gz NCVMRMLPSQKDNE-NSHDSACASA-N 0 0 318.446 3.172 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC000328635949 400183380 /nfs/dbraw/zinc/18/33/80/400183380.db2.gz VEXCCSNOHPCRNE-XNRPHZJLSA-N 0 0 323.462 3.223 10 30 DGEERN C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@H](C)S1 ZINC000310393795 400133805 /nfs/dbraw/zinc/13/38/05/400133805.db2.gz SDAPBWWZMFCXIE-DTORHVGOSA-N 0 0 312.236 3.046 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Nc2cccnc2)cc1 ZINC000616409457 400142668 /nfs/dbraw/zinc/14/26/68/400142668.db2.gz QSHDZYPPRDCFHD-YJBOKZPZSA-N 0 0 323.396 3.146 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cc(Cl)ccn2)c(F)c1 ZINC000585806079 400143749 /nfs/dbraw/zinc/14/37/49/400143749.db2.gz AFYFBAABIFJIGY-UHFFFAOYSA-N 0 0 304.712 3.067 10 30 DGEERN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000015800961 400168467 /nfs/dbraw/zinc/16/84/67/400168467.db2.gz XGMIYCVKVGEONF-CYBMUJFWSA-N 0 0 310.353 3.363 10 30 DGEERN C=CCC1(c2nc(-c3cnc4ccc(C)cn43)no2)CCOCC1 ZINC000351300572 400246696 /nfs/dbraw/zinc/24/66/96/400246696.db2.gz UPZPFXTYTYCYSD-UHFFFAOYSA-N 0 0 324.384 3.317 10 30 DGEERN COC[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610355760 400248129 /nfs/dbraw/zinc/24/81/29/400248129.db2.gz YQDRVLAQEHDEGX-RDTXWAMCSA-N 0 0 323.396 3.306 10 30 DGEERN C=C(CNC(=O)c1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000588172530 400197011 /nfs/dbraw/zinc/19/70/11/400197011.db2.gz VCYARGVSRGLJBJ-UHFFFAOYSA-N 0 0 313.328 3.056 10 30 DGEERN C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000609874665 400197441 /nfs/dbraw/zinc/19/74/41/400197441.db2.gz FFYYFQHWRMXSME-OAHLLOKOSA-N 0 0 323.440 3.122 10 30 DGEERN C[C@H]1Cc2ccccc2N1C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000609874664 400197662 /nfs/dbraw/zinc/19/76/62/400197662.db2.gz FFYYFQHWRMXSME-HNNXBMFYSA-N 0 0 323.440 3.122 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000616750090 400218990 /nfs/dbraw/zinc/21/89/90/400218990.db2.gz CTLFSURYENOBHT-OAHLLOKOSA-N 0 0 311.429 3.419 10 30 DGEERN Cc1cccc2c1ncc(C#N)c2NC[C@H](CO)c1ccccc1 ZINC000610517125 400268955 /nfs/dbraw/zinc/26/89/55/400268955.db2.gz ZHXJVRDLTYCYFX-QGZVFWFLSA-N 0 0 317.392 3.025 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000610527864 400271634 /nfs/dbraw/zinc/27/16/34/400271634.db2.gz UOPZNNQSXUKJPM-GOSISDBHSA-N 0 0 306.365 3.170 10 30 DGEERN C[C@@H](NC(=O)NC[C@@H](C)c1ccncc1)c1cccc(C#N)c1 ZINC000610531032 400272819 /nfs/dbraw/zinc/27/28/19/400272819.db2.gz POFNGEXANJLTNZ-ZIAGYGMSSA-N 0 0 308.385 3.117 10 30 DGEERN CN(Cc1csc(Br)c1)Cc1ccnc(C#N)c1 ZINC000068766210 400285061 /nfs/dbraw/zinc/28/50/61/400285061.db2.gz CKIZEEHOPDISCP-UHFFFAOYSA-N 0 0 322.231 3.409 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CNC(C)=O)cc1 ZINC000617035511 400286812 /nfs/dbraw/zinc/28/68/12/400286812.db2.gz NMLMAAXBABYXRQ-FUHWJXTLSA-N 0 0 314.429 3.187 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1OC ZINC000617035587 400287071 /nfs/dbraw/zinc/28/70/71/400287071.db2.gz PCBWZNUUIDUIMO-HUUCEWRRSA-N 0 0 303.402 3.325 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000617037954 400287762 /nfs/dbraw/zinc/28/77/62/400287762.db2.gz SWQCEZGMOIERDX-YVSFHVDLSA-N 0 0 309.450 3.212 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000617036734 400288200 /nfs/dbraw/zinc/28/82/00/400288200.db2.gz DVRGCESPUKBCAL-DLBZAZTESA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)COCc1ccc(OC)cc1 ZINC000617037811 400288205 /nfs/dbraw/zinc/28/82/05/400288205.db2.gz QXTZXINTXBDRNZ-AEFFLSMTSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nn(C)c1C ZINC000617037106 400288256 /nfs/dbraw/zinc/28/82/56/400288256.db2.gz IJIWEBYFGFPUBF-WBVHZDCISA-N 0 0 303.450 3.221 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)c(C)nn2C ZINC000617038340 400288706 /nfs/dbraw/zinc/28/87/06/400288706.db2.gz WGCYEMSVVZQJLG-XJKSGUPXSA-N 0 0 312.417 3.141 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000617038579 400288763 /nfs/dbraw/zinc/28/87/63/400288763.db2.gz ZBPOOTAUWCQODY-UXLLHSPISA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)C1CCCCC1 ZINC000617039111 400288979 /nfs/dbraw/zinc/28/89/79/400288979.db2.gz CHGXEVVYCHIEOJ-NVXWUHKLSA-N 0 0 320.477 3.324 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617039343 400289011 /nfs/dbraw/zinc/28/90/11/400289011.db2.gz GGIPDQDLAYHLHI-JSGCOSHPSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CCCNC(=O)C(C)(C)C ZINC000617038022 400289071 /nfs/dbraw/zinc/28/90/71/400289071.db2.gz UHBZNOGWGVQKDM-LSDHHAIUSA-N 0 0 308.466 3.180 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCNC(=O)C(C)(C)C ZINC000617038020 400289185 /nfs/dbraw/zinc/28/91/85/400289185.db2.gz UHBZNOGWGVQKDM-GJZGRUSLSA-N 0 0 308.466 3.180 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000617038072 400289293 /nfs/dbraw/zinc/28/92/93/400289293.db2.gz UJUKNVWQXCPNEG-RDJZCZTQSA-N 0 0 320.477 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000617040404 400290028 /nfs/dbraw/zinc/29/00/28/400290028.db2.gz UBVKEZGSLAOQDN-BFYDXBDKSA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)cc1C ZINC000617040568 400290050 /nfs/dbraw/zinc/29/00/50/400290050.db2.gz WATKTWZCTACUKE-QAPCUYQASA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000617040109 400290145 /nfs/dbraw/zinc/29/01/45/400290145.db2.gz PNYQXGZPEFUIFB-WBVHZDCISA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1c2c(nn1C)CCCC2 ZINC000617040365 400290207 /nfs/dbraw/zinc/29/02/07/400290207.db2.gz SVGGVYLEHWUGIA-HIFRSBDPSA-N 0 0 301.434 3.164 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1sc(COC)nc1C ZINC000617042485 400290922 /nfs/dbraw/zinc/29/09/22/400290922.db2.gz RXGFUJIVDXAYKM-QWHCGFSZSA-N 0 0 308.447 3.463 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000617043037 400290962 /nfs/dbraw/zinc/29/09/62/400290962.db2.gz YTSORAPSDHBCAL-KFWWJZLASA-N 0 0 308.466 3.178 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617042985 400291160 /nfs/dbraw/zinc/29/11/60/400291160.db2.gz XXIUZSAWHXGMGA-GDBMZVCRSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)NC1CCCC1 ZINC000617042834 400291241 /nfs/dbraw/zinc/29/12/41/400291241.db2.gz WDTXSAXMRZUBHE-ZBFHGGJFSA-N 0 0 306.450 3.077 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(CC(F)F)CC1 ZINC000617042514 400291411 /nfs/dbraw/zinc/29/14/11/400291411.db2.gz SGOYNSGQMONNRU-ZFWWWQNUSA-N 0 0 314.420 3.215 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC000617042421 400291577 /nfs/dbraw/zinc/29/15/77/400291577.db2.gz QYWROXVJQQBQQM-INMHGKMJSA-N 0 0 301.434 3.005 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000617044043 400291922 /nfs/dbraw/zinc/29/19/22/400291922.db2.gz IBEXTDRIDNADAZ-HLLBOEOZSA-N 0 0 301.434 3.005 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CCCC2 ZINC000617044473 400292199 /nfs/dbraw/zinc/29/21/99/400292199.db2.gz OGSOUKKMHZCDQM-ZFWWWQNUSA-N 0 0 301.434 3.164 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)C1 ZINC000601350015 400293162 /nfs/dbraw/zinc/29/31/62/400293162.db2.gz MEFNETJZZWHOBV-UHFFFAOYSA-N 0 0 323.776 3.187 10 30 DGEERN Cc1ccccc1CC1CN(c2c(C#N)nnc3ccccc32)C1 ZINC000610716285 400295133 /nfs/dbraw/zinc/29/51/33/400295133.db2.gz FNYBRXJUXYFBOZ-UHFFFAOYSA-N 0 0 314.392 3.489 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC12CCC2 ZINC000610737836 400299190 /nfs/dbraw/zinc/29/91/90/400299190.db2.gz LGYKWMSJHZWGHC-OAHLLOKOSA-N 0 0 300.358 3.300 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1(CC)CC ZINC000504449111 400306678 /nfs/dbraw/zinc/30/66/78/400306678.db2.gz DKUUPUGCDPMCPM-LSDHHAIUSA-N 0 0 321.465 3.305 10 30 DGEERN CCC1(CC)[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)[C@H]1OC ZINC000504411245 400306742 /nfs/dbraw/zinc/30/67/42/400306742.db2.gz NAJLQHJTHJZLFK-RBSFLKMASA-N 0 0 321.465 3.161 10 30 DGEERN N#Cc1c(Br)cccc1N1CC[C@@H](C(F)F)C1 ZINC000589599299 400308003 /nfs/dbraw/zinc/30/80/03/400308003.db2.gz DMDIOFOPOMATLW-MRVPVSSYSA-N 0 0 301.134 3.412 10 30 DGEERN N#Cc1cc(Br)ccc1N1CC[C@H](C(F)F)C1 ZINC000589600326 400308409 /nfs/dbraw/zinc/30/84/09/400308409.db2.gz VOQHIMLXTADKLH-QMMMGPOBSA-N 0 0 301.134 3.412 10 30 DGEERN C=CCCn1cc(C(=O)N[C@H]2CCCC23CCCCC3)nn1 ZINC000617108753 400313024 /nfs/dbraw/zinc/31/30/24/400313024.db2.gz UHCDWMYESUPEQQ-HNNXBMFYSA-N 0 0 302.422 3.087 10 30 DGEERN C=CCN(CCC#N)C(=O)c1scc(Br)c1C ZINC000601591678 400313815 /nfs/dbraw/zinc/31/38/15/400313815.db2.gz PFOHNYIWIZQDOK-UHFFFAOYSA-N 0 0 313.220 3.361 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000578103690 400325522 /nfs/dbraw/zinc/32/55/22/400325522.db2.gz OKQKJKSATXCEFS-LMMKCTJWSA-N 0 0 317.429 3.128 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000601630081 400320109 /nfs/dbraw/zinc/32/01/09/400320109.db2.gz BGKBTPZXVTUSPE-JOCHJYFZSA-N 0 0 322.474 3.216 10 30 DGEERN N#CC1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000105092753 400320217 /nfs/dbraw/zinc/32/02/17/400320217.db2.gz WJRGVDNKOGRAGI-QGZVFWFLSA-N 0 0 309.369 3.314 10 30 DGEERN CC(C)OC(=O)[C@@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N ZINC000616994374 400261819 /nfs/dbraw/zinc/26/18/19/400261819.db2.gz FTLHLBNFNOAEEP-AWEZNQCLSA-N 0 0 315.417 3.171 10 30 DGEERN C=CCCC1(CNC(=O)c2c(C)nn3cccnc23)CCCC1 ZINC000617416270 400384286 /nfs/dbraw/zinc/38/42/86/400384286.db2.gz IHJPQZVRWDVDMW-UHFFFAOYSA-N 0 0 312.417 3.294 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000617417861 400385010 /nfs/dbraw/zinc/38/50/10/400385010.db2.gz JETFZACGBSRALK-CQSZACIVSA-N 0 0 301.434 3.157 10 30 DGEERN C=CCCC1(CNC(=O)CCSc2n[nH]c(C)n2)CCCC1 ZINC000617417447 400385743 /nfs/dbraw/zinc/38/57/43/400385743.db2.gz ZDTANKUAYZPZJB-UHFFFAOYSA-N 0 0 322.478 3.238 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@]1(C)CCCc2ccccc21 ZINC000578742975 400331373 /nfs/dbraw/zinc/33/13/73/400331373.db2.gz RMGBVCOIXCSSKM-IEZWGBDMSA-N 0 0 314.429 3.128 10 30 DGEERN CCC(=O)N(Cc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000114904993 400391176 /nfs/dbraw/zinc/39/11/76/400391176.db2.gz UUOLAJGAWSJCPJ-UHFFFAOYSA-N 0 0 308.337 3.230 10 30 DGEERN N#CC1CCC(CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000579809257 400342512 /nfs/dbraw/zinc/34/25/12/400342512.db2.gz MPTKZYVRXBWKHU-UHFFFAOYSA-N 0 0 309.369 3.000 10 30 DGEERN C=CCCCCCNC(=O)Cc1cc(F)cc2c1OCOC2 ZINC000579969379 400344860 /nfs/dbraw/zinc/34/48/60/400344860.db2.gz GUGSKOINGFGIBO-UHFFFAOYSA-N 0 0 307.365 3.097 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)OC ZINC000601788261 400349035 /nfs/dbraw/zinc/34/90/35/400349035.db2.gz TVCKXPYCPHNVOZ-AWEZNQCLSA-N 0 0 309.793 3.194 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cc2sccc2s1)C(=O)OC ZINC000601787585 400349048 /nfs/dbraw/zinc/34/90/48/400349048.db2.gz ZIMYVSISXGIYJL-SECBINFHSA-N 0 0 309.412 3.200 10 30 DGEERN C=CCCCCCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000581080903 400350198 /nfs/dbraw/zinc/35/01/98/400350198.db2.gz ZJCJQOKHONQDPJ-UHFFFAOYSA-N 0 0 304.415 3.207 10 30 DGEERN C=CCCCCCNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000581200434 400351363 /nfs/dbraw/zinc/35/13/63/400351363.db2.gz OWZUBLXGFPZTLE-KRWDZBQOSA-N 0 0 318.417 3.222 10 30 DGEERN N#Cc1ccc(CNC(=O)NC2CCC(F)(F)CC2)c(F)c1 ZINC000611186002 400356147 /nfs/dbraw/zinc/35/61/47/400356147.db2.gz BRYTZCVOBMTVKJ-UHFFFAOYSA-N 0 0 311.307 3.074 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601875256 400369239 /nfs/dbraw/zinc/36/92/39/400369239.db2.gz VIJSBXIKLTYFQC-HIFRSBDPSA-N 0 0 311.389 3.243 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000611437734 400401036 /nfs/dbraw/zinc/40/10/36/400401036.db2.gz YGMKPGRCXGVMQB-OAHLLOKOSA-N 0 0 324.465 3.496 10 30 DGEERN CCOC(=O)c1c(F)cccc1NC(=O)c1sccc1C#N ZINC000611450457 400404052 /nfs/dbraw/zinc/40/40/52/400404052.db2.gz AADIOUSCAAKCOR-UHFFFAOYSA-N 0 0 318.329 3.188 10 30 DGEERN C=CCSCCNC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC000602089272 400411020 /nfs/dbraw/zinc/41/10/20/400411020.db2.gz YBDOJEMITOCFOL-UHFFFAOYSA-N 0 0 322.455 3.289 10 30 DGEERN C=CCCOCCCCC(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC000617592669 400420632 /nfs/dbraw/zinc/42/06/32/400420632.db2.gz JGXAQYPOMKAXGH-UHFFFAOYSA-N 0 0 322.336 3.374 10 30 DGEERN Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCC(C)(C#N)CC1 ZINC000611561363 400422765 /nfs/dbraw/zinc/42/27/65/400422765.db2.gz TYPSYUBGJUWDAO-UHFFFAOYSA-N 0 0 302.422 3.021 10 30 DGEERN C=CCN(C(=O)c1cccc(-c2cscn2)c1)[C@@H](C)COC ZINC000617580329 400417874 /nfs/dbraw/zinc/41/78/74/400417874.db2.gz VIARRBBTAQZROZ-ZDUSSCGKSA-N 0 0 316.426 3.473 10 30 DGEERN Cc1cc(NC(=O)NCc2ccc(C#N)cc2F)cc2n[nH]cc21 ZINC000611532997 400417929 /nfs/dbraw/zinc/41/79/29/400417929.db2.gz SXZUMMUWFSFNSK-UHFFFAOYSA-N 0 0 323.331 3.204 10 30 DGEERN C=CCN(C(=O)c1sc(CC2CC2)nc1C)[C@H](C)COC ZINC000617582035 400419316 /nfs/dbraw/zinc/41/93/16/400419316.db2.gz FEVBFAGFCKSJSU-LLVKDONJSA-N 0 0 308.447 3.067 10 30 DGEERN C=CCN(C(=O)c1ccn(C2CCCCC2)n1)[C@H](C)COC ZINC000617582888 400419402 /nfs/dbraw/zinc/41/94/02/400419402.db2.gz XGIYLOBETBHNNB-CQSZACIVSA-N 0 0 305.422 3.051 10 30 DGEERN Cc1nn(-c2ccccc2)c(CN2CCC(C)(C#N)CC2)c1C#N ZINC000611553488 400419762 /nfs/dbraw/zinc/41/97/62/400419762.db2.gz VSUFGPVBUZLSLK-UHFFFAOYSA-N 0 0 319.412 3.178 10 30 DGEERN C=CCOCCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000611547790 400420091 /nfs/dbraw/zinc/42/00/91/400420091.db2.gz XWSNMCUFUZMVFF-UHFFFAOYSA-N 0 0 306.365 3.158 10 30 DGEERN C=CCOCCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000611547915 400420424 /nfs/dbraw/zinc/42/04/24/400420424.db2.gz WREPQTSRTLDUBG-UHFFFAOYSA-N 0 0 322.364 3.283 10 30 DGEERN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000611614942 400428772 /nfs/dbraw/zinc/42/87/72/400428772.db2.gz HQTMEZPQKOQVMT-SUMWQHHRSA-N 0 0 318.392 3.155 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000602384153 400450248 /nfs/dbraw/zinc/45/02/48/400450248.db2.gz RFKUYVWDVULOCE-UHFFFAOYSA-N 0 0 315.329 3.064 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)C2(OC)CCC(F)(F)CC2)C1 ZINC000617776865 400450622 /nfs/dbraw/zinc/45/06/22/400450622.db2.gz CTBQHLOAGLWCPU-ZDUSSCGKSA-N 0 0 301.377 3.396 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)CC)C1 ZINC000617779052 400452145 /nfs/dbraw/zinc/45/21/45/400452145.db2.gz UESRRDLILPPHLK-CQSZACIVSA-N 0 0 300.402 3.463 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000617780254 400452223 /nfs/dbraw/zinc/45/22/23/400452223.db2.gz RJHUQIHARVHGEL-HNNXBMFYSA-N 0 0 300.402 3.098 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(OC)cc2)C1 ZINC000617787270 400455025 /nfs/dbraw/zinc/45/50/25/400455025.db2.gz KQHDHCJKVHLERZ-CABCVRRESA-N 0 0 303.402 3.277 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000617788463 400455114 /nfs/dbraw/zinc/45/51/14/400455114.db2.gz JLPADQBPACQXGK-MLGOLLRUSA-N 0 0 305.805 3.458 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H](c2ccccc2F)C(C)C)nn1 ZINC000617995418 400501137 /nfs/dbraw/zinc/50/11/37/400501137.db2.gz AVEFOYMPEDNSHB-MRXNPFEDSA-N 0 0 316.380 3.120 10 30 DGEERN CCc1ccc(C(=O)CCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000045212636 400515357 /nfs/dbraw/zinc/51/53/57/400515357.db2.gz KPLVSHSXFQWXTE-UHFFFAOYSA-N 0 0 320.392 3.400 10 30 DGEERN C=CCC[C@@H](C(=O)NCCO[C@H]1CC1(F)F)c1ccccc1 ZINC000618132860 400531385 /nfs/dbraw/zinc/53/13/85/400531385.db2.gz JWAFCKSDYWCXTM-CABCVRRESA-N 0 0 309.356 3.277 10 30 DGEERN CC(C)[C@@H](C)NC(=O)NCCSCc1ccccc1C#N ZINC000045863510 400538296 /nfs/dbraw/zinc/53/82/96/400538296.db2.gz OJIACEAAJGWFLL-CYBMUJFWSA-N 0 0 305.447 3.135 10 30 DGEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccccc2C(C)(C)C#N)C1 ZINC000591653656 400548842 /nfs/dbraw/zinc/54/88/42/400548842.db2.gz VGXZPUZEEJSDEU-WBVHZDCISA-N 0 0 324.428 3.173 10 30 DGEERN C=CCC1(NC(=O)c2ccc(F)c3ccncc23)CCOCC1 ZINC000618252603 400552300 /nfs/dbraw/zinc/55/23/00/400552300.db2.gz QNWTXIWGBFUSOV-UHFFFAOYSA-N 0 0 314.360 3.229 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000591779852 400555832 /nfs/dbraw/zinc/55/58/32/400555832.db2.gz JZNDCQLPHJHURU-UHFFFAOYSA-N 0 0 318.804 3.201 10 30 DGEERN C=C(C)C[C@@H](NCc1cc2cc(OC)ccc2o1)C(=O)OC ZINC000602733409 400556962 /nfs/dbraw/zinc/55/69/62/400556962.db2.gz HZUIAEQPBBBHIC-OAHLLOKOSA-N 0 0 303.358 3.039 10 30 DGEERN C=C(C)C[C@H](NCc1ccc(C(F)(F)F)s1)C(=O)OC ZINC000602735368 400558092 /nfs/dbraw/zinc/55/80/92/400558092.db2.gz VZYSIBINKIYVLL-JTQLQIEISA-N 0 0 307.337 3.364 10 30 DGEERN C=CCN(Cc1ccccc1F)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602765586 400567334 /nfs/dbraw/zinc/56/73/34/400567334.db2.gz WKEHWEYQYFXDFI-GFCCVEGCSA-N 0 0 318.348 3.350 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)n1nc(C)cc1C ZINC000140833864 400622615 /nfs/dbraw/zinc/62/26/15/400622615.db2.gz ILBNHQDKXCBPHE-HNNXBMFYSA-N 0 0 315.392 3.415 10 30 DGEERN N#Cc1ccc(Cn2ccc(OCc3ccccc3)cc2=O)cc1 ZINC000142368214 400630019 /nfs/dbraw/zinc/63/00/19/400630019.db2.gz RGFOPKZTDDJRRS-UHFFFAOYSA-N 0 0 316.360 3.347 10 30 DGEERN C=CCCN(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O ZINC000142567973 400631161 /nfs/dbraw/zinc/63/11/61/400631161.db2.gz XCRHIXFQJYGDCF-UHFFFAOYSA-N 0 0 316.357 3.011 10 30 DGEERN C=CCCCCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603115416 400643571 /nfs/dbraw/zinc/64/35/71/400643571.db2.gz KVXYRYZASLPCEN-JKSUJKDBSA-N 0 0 316.401 3.441 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@]1(C)CC1(F)F ZINC000618595451 400637134 /nfs/dbraw/zinc/63/71/34/400637134.db2.gz OQCSFIIZRSJQQW-HNNXBMFYSA-N 0 0 311.328 3.035 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CCC(C(C)C)CC1 ZINC000612672880 400584783 /nfs/dbraw/zinc/58/47/83/400584783.db2.gz BOBRTVUKSDWGOG-OFLPRAFFSA-N 0 0 308.466 3.036 10 30 DGEERN C=CCC[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000612708096 400590056 /nfs/dbraw/zinc/59/00/56/400590056.db2.gz HMQMYCLVUVWXOP-HOTGVXAUSA-N 0 0 309.413 3.338 10 30 DGEERN N#Cc1ccc(CNCc2cc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000136071537 400590092 /nfs/dbraw/zinc/59/00/92/400590092.db2.gz CQDYIIUCVBSQBB-UHFFFAOYSA-N 0 0 306.344 3.377 10 30 DGEERN Cc1ccccc1N(O)/C=C1/C=C(Br)C=CC1=O ZINC000136506720 400591554 /nfs/dbraw/zinc/59/15/54/400591554.db2.gz ZSONEVHECGAGIW-LUAWRHEFSA-N 0 0 306.159 3.492 10 30 DGEERN C=CCOCCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000618515095 400608384 /nfs/dbraw/zinc/60/83/84/400608384.db2.gz SJDNIVIRAJVPOG-UHFFFAOYSA-N 0 0 318.200 3.081 10 30 DGEERN C=CCOCCCNC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000618520602 400610233 /nfs/dbraw/zinc/61/02/33/400610233.db2.gz GWXJERAYQNJLDT-UHFFFAOYSA-N 0 0 312.413 3.323 10 30 DGEERN C=CCOCCCNC(=O)c1sc(C2CCCC2)nc1C ZINC000618524011 400610628 /nfs/dbraw/zinc/61/06/28/400610628.db2.gz ZCBRPQMGPGTGJH-UHFFFAOYSA-N 0 0 308.447 3.432 10 30 DGEERN C=CCOCCCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000618523250 400610793 /nfs/dbraw/zinc/61/07/93/400610793.db2.gz AQPVHICWTMQBME-UHFFFAOYSA-N 0 0 300.402 3.118 10 30 DGEERN C=CCOCCCNC(=O)c1c(Cl)c2ccccc2n1C ZINC000618520875 400610873 /nfs/dbraw/zinc/61/08/73/400610873.db2.gz LQBKTJHVCPKREO-UHFFFAOYSA-N 0 0 306.793 3.154 10 30 DGEERN C=CCOCCCNC(=O)CCOc1cc(C)cc(C)c1C ZINC000618522304 400610918 /nfs/dbraw/zinc/61/09/18/400610918.db2.gz CCXMJSSCAWCRHA-UHFFFAOYSA-N 0 0 305.418 3.090 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000618525266 400611356 /nfs/dbraw/zinc/61/13/56/400611356.db2.gz AFEVVRFAOMFFIM-ZDUSSCGKSA-N 0 0 311.422 3.263 10 30 DGEERN C=CCOCCCNC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000618526487 400611621 /nfs/dbraw/zinc/61/16/21/400611621.db2.gz PRGDTZNIISPBPD-UHFFFAOYSA-N 0 0 313.800 3.466 10 30 DGEERN C=CCOCCCNC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000618526733 400611631 /nfs/dbraw/zinc/61/16/31/400611631.db2.gz WKFGESFFLIKPCH-MRXNPFEDSA-N 0 0 305.418 3.252 10 30 DGEERN C=CCOCCCNC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000618525743 400611755 /nfs/dbraw/zinc/61/17/55/400611755.db2.gz FYPLFRZHXLUBJG-ZDUSSCGKSA-N 0 0 323.820 3.258 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000618526411 400611894 /nfs/dbraw/zinc/61/18/94/400611894.db2.gz OFLXXDHATJSJAJ-UHFFFAOYSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CCSC ZINC000592397756 400645548 /nfs/dbraw/zinc/64/55/48/400645548.db2.gz SJFRRWMIZJVXLL-UHFFFAOYSA-N 0 0 320.462 3.032 10 30 DGEERN C=CCC1(C(=O)NCc2nccc(OC)c2F)CCCCC1 ZINC000618643662 400653987 /nfs/dbraw/zinc/65/39/87/400653987.db2.gz SPIAQIASMUJGHM-UHFFFAOYSA-N 0 0 306.381 3.372 10 30 DGEERN C=CCCCN(C)C(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC000076650764 400665216 /nfs/dbraw/zinc/66/52/16/400665216.db2.gz UTFJIPVDIBKKMZ-UHFFFAOYSA-N 0 0 321.490 3.088 10 30 DGEERN N#Cc1cc(N2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000613284128 400689272 /nfs/dbraw/zinc/68/92/72/400689272.db2.gz DZHFVZNCAFQRCL-QGZVFWFLSA-N 0 0 315.373 3.252 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000076854117 400676357 /nfs/dbraw/zinc/67/63/57/400676357.db2.gz MGLYCCBHYTUFIT-UHFFFAOYSA-N 0 0 307.337 3.292 10 30 DGEERN N#CC1=NN=C2C(Cl)=C(Cl)C(Cl)=C(Cl)[C@]12C#N ZINC000166420793 400754305 /nfs/dbraw/zinc/75/43/05/400754305.db2.gz PVKWNDMRMHJWOE-VIFPVBQESA-N 0 0 305.939 3.223 10 30 DGEERN C#C[C@@H](C)Nc1ncc(Br)cc1Br ZINC000166901058 400755335 /nfs/dbraw/zinc/75/53/35/400755335.db2.gz ORQAMVWAWNDGQM-ZCFIWIBFSA-N 0 0 303.985 3.040 10 30 DGEERN CC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1nccs1 ZINC000162513063 400745202 /nfs/dbraw/zinc/74/52/02/400745202.db2.gz NPBHEEMOTDTARE-CQSZACIVSA-N 0 0 314.414 3.307 10 30 DGEERN N#CCCN(CCC#N)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000052818256 400749130 /nfs/dbraw/zinc/74/91/30/400749130.db2.gz RJYRBQVVSSSQLQ-UHFFFAOYSA-N 0 0 301.733 3.356 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCC(CC)(CC)CC1 ZINC000613903215 400809662 /nfs/dbraw/zinc/80/96/62/400809662.db2.gz YDSCLPCSCIHCTL-INIZCTEOSA-N 0 0 308.466 3.323 10 30 DGEERN C=CCNC(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000593295528 400811488 /nfs/dbraw/zinc/81/14/88/400811488.db2.gz QYKIVJLFPNVRNF-CABCVRRESA-N 0 0 316.401 3.042 10 30 DGEERN C=CCC1(NC(=O)c2cnn(CC(F)(F)F)c2)CCCC1 ZINC000619110768 400771964 /nfs/dbraw/zinc/77/19/64/400771964.db2.gz IWMKQYDACVQZDR-UHFFFAOYSA-N 0 0 301.312 3.064 10 30 DGEERN C=C[C@@](C)(O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619129620 400777638 /nfs/dbraw/zinc/77/76/38/400777638.db2.gz SRQFYAJNBDPEHJ-SNVBAGLBSA-N 0 0 321.261 3.093 10 30 DGEERN COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000170950636 400779120 /nfs/dbraw/zinc/77/91/20/400779120.db2.gz NKQOBXYPLUBNPJ-IAGOWNOFSA-N 0 0 324.355 3.126 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)C1CC1 ZINC000604488274 400780215 /nfs/dbraw/zinc/78/02/15/400780215.db2.gz NELPPBHCVLJAFQ-CYBMUJFWSA-N 0 0 317.389 3.339 10 30 DGEERN CN(C(=O)NCCOc1ccc(C#N)cc1)C1CCCCCC1 ZINC000175976999 400869535 /nfs/dbraw/zinc/86/95/35/400869535.db2.gz UDQBGXYBFDOIDI-UHFFFAOYSA-N 0 0 315.417 3.301 10 30 DGEERN C=CC[C@H](CC)NC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000619598605 400871538 /nfs/dbraw/zinc/87/15/38/400871538.db2.gz OZJZVVDZYDVMIM-HNNXBMFYSA-N 0 0 310.438 3.106 10 30 DGEERN C[C@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)c1ccncc1 ZINC000614299100 400873400 /nfs/dbraw/zinc/87/34/00/400873400.db2.gz HMKHNQVAGBJHFY-CYBMUJFWSA-N 0 0 320.396 3.359 10 30 DGEERN CC(=O)c1cnc(NC(=O)c2cc3ccccc3n2CC#N)s1 ZINC000605529894 400873709 /nfs/dbraw/zinc/87/37/09/400873709.db2.gz HJEXASRMBSQKPZ-UHFFFAOYSA-N 0 0 324.365 3.076 10 30 DGEERN CC(C)CCn1nccc1NC(=O)NCC1CCC(C#N)CC1 ZINC000619663452 400879732 /nfs/dbraw/zinc/87/97/32/400879732.db2.gz QBXPJXJNOZJFQZ-UHFFFAOYSA-N 0 0 317.437 3.381 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1CCC(C#N)CC1 ZINC000619660846 400880359 /nfs/dbraw/zinc/88/03/59/400880359.db2.gz KAZMXXDRUJCOBK-JRSKDTKFSA-N 0 0 322.412 3.175 10 30 DGEERN C=CCCC[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000179794689 400880516 /nfs/dbraw/zinc/88/05/16/400880516.db2.gz QZHVKSDMNWNEOL-ZDUSSCGKSA-N 0 0 318.392 3.427 10 30 DGEERN CCc1nc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cs1 ZINC000180353597 400882892 /nfs/dbraw/zinc/88/28/92/400882892.db2.gz WHRHZDRSZIFXPR-UHFFFAOYSA-N 0 0 311.410 3.191 10 30 DGEERN N#CC1(c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000180377254 400883120 /nfs/dbraw/zinc/88/31/20/400883120.db2.gz IKIABQMDGSQVQD-UHFFFAOYSA-N 0 0 316.364 3.048 10 30 DGEERN N#Cc1cnccc1NCc1ccnc(Oc2ccccc2)c1 ZINC000614121182 400840082 /nfs/dbraw/zinc/84/00/82/400840082.db2.gz HFKLWQGEVIOVGJ-UHFFFAOYSA-N 0 0 302.337 3.175 10 30 DGEERN N#Cc1cnccc1NCCCc1cccc(Br)c1 ZINC000614134695 400841587 /nfs/dbraw/zinc/84/15/87/400841587.db2.gz YLWKMAQGVMITKV-UHFFFAOYSA-N 0 0 316.202 3.182 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000180941908 400886267 /nfs/dbraw/zinc/88/62/67/400886267.db2.gz QBJDMKBKXKNPMK-GFCCVEGCSA-N 0 0 306.381 3.188 10 30 DGEERN O=C(CSc1ccc2c(c1)CCC2)NCC#Cc1ccccc1 ZINC000055317132 400863028 /nfs/dbraw/zinc/86/30/28/400863028.db2.gz ZSOAELXWGGDBFV-UHFFFAOYSA-N 0 0 321.445 3.435 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]1c1nc(C)no1 ZINC000633411229 400939590 /nfs/dbraw/zinc/93/95/90/400939590.db2.gz LFEOKFXLINNXFP-CYBMUJFWSA-N 0 0 306.410 3.217 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000633411822 400939783 /nfs/dbraw/zinc/93/97/83/400939783.db2.gz YMBBALVVAJOFCE-OAHLLOKOSA-N 0 0 306.406 3.355 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000633410758 400940217 /nfs/dbraw/zinc/94/02/17/400940217.db2.gz BUPNSAMFJFCDTN-CQSZACIVSA-N 0 0 306.406 3.355 10 30 DGEERN Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1[N+](=O)[O-] ZINC000181698590 400890143 /nfs/dbraw/zinc/89/01/43/400890143.db2.gz FLOPTTDTBXKFHU-UHFFFAOYSA-N 0 0 322.324 3.106 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000614458122 400904290 /nfs/dbraw/zinc/90/42/90/400904290.db2.gz LTXXZJYHAKVQSM-CQSZACIVSA-N 0 0 308.809 3.366 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](c1ccccc1)C(CC)CC ZINC000185419302 400905603 /nfs/dbraw/zinc/90/56/03/400905603.db2.gz CJSRYUUEXNNERM-DLBZAZTESA-N 0 0 304.434 3.400 10 30 DGEERN C=CCN(C(=O)c1csc(-c2ncccn2)n1)c1ccccc1 ZINC000614559575 400916598 /nfs/dbraw/zinc/91/65/98/400916598.db2.gz CFNDZOYVEGWKLC-UHFFFAOYSA-N 0 0 322.393 3.433 10 30 DGEERN C=CCCn1cc(C[S@@](=O)Cc2ccccc2C2CC2)nn1 ZINC000593939149 400922547 /nfs/dbraw/zinc/92/25/47/400922547.db2.gz CCYUDWFBZHKBNP-QFIPXVFZSA-N 0 0 315.442 3.181 10 30 DGEERN C=CCCn1cc(C[S@@](=O)c2ccc3c(c2)CCCC3)nn1 ZINC000593943184 400923656 /nfs/dbraw/zinc/92/36/56/400923656.db2.gz UVVXBFBYLSBYAU-JOCHJYFZSA-N 0 0 315.442 3.041 10 30 DGEERN C=CCOc1ccccc1CNC(=O)Nc1ccc2nccn2c1 ZINC000606583998 400931914 /nfs/dbraw/zinc/93/19/14/400931914.db2.gz WVGQRYGJRAZULE-UHFFFAOYSA-N 0 0 322.368 3.221 10 30 DGEERN N#Cc1ccc(OC[C@H](O)CSc2ccc(F)c(F)c2)cc1 ZINC000198393258 400932843 /nfs/dbraw/zinc/93/28/43/400932843.db2.gz JGWMRGABDISPRT-LBPRGKRZSA-N 0 0 321.348 3.368 10 30 DGEERN C=CCC(CC=C)C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000620797105 400981939 /nfs/dbraw/zinc/98/19/39/400981939.db2.gz BRABVXZQXHILKK-AAEUAGOBSA-N 0 0 305.340 3.323 10 30 DGEERN C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000620858511 400998534 /nfs/dbraw/zinc/99/85/34/400998534.db2.gz IBNCBRGOSQDKEK-LSDHHAIUSA-N 0 0 315.413 3.422 10 30 DGEERN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000624988558 401002121 /nfs/dbraw/zinc/00/21/21/401002121.db2.gz CDBTVGNBAOKWRU-UKRRQHHQSA-N 0 0 314.437 3.259 10 30 DGEERN C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC000624985214 401002295 /nfs/dbraw/zinc/00/22/95/401002295.db2.gz RVIYFIKITYEHIZ-KBUPBQIOSA-N 0 0 322.428 3.279 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCCc1nsc2ccccc12 ZINC000620188223 401006335 /nfs/dbraw/zinc/00/63/35/401006335.db2.gz NCERTIIISDQSOC-KRWDZBQOSA-N 0 0 318.442 3.184 10 30 DGEERN N#Cc1cc(CNc2cc(F)ccc2Br)ccn1 ZINC000227751833 400963293 /nfs/dbraw/zinc/96/32/93/400963293.db2.gz NKKFFPFXDNDAEN-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC000624849771 400968798 /nfs/dbraw/zinc/96/87/98/400968798.db2.gz GHLDVCWPUOTWLK-MFBWXBCUSA-N 0 0 312.421 3.037 10 30 DGEERN C=CCCCCCN(C)c1nnc(-c2cn[nH]c2)n1CC=C ZINC000624850046 400969954 /nfs/dbraw/zinc/96/99/54/400969954.db2.gz ITCBREBWKKFOBM-UHFFFAOYSA-N 0 0 300.410 3.037 10 30 DGEERN C[C@H](C#N)Nc1ccc(I)cc1Cl ZINC000232149394 400970014 /nfs/dbraw/zinc/97/00/14/400970014.db2.gz SNIDSQDLSVBNER-ZCFIWIBFSA-N 0 0 306.534 3.269 10 30 DGEERN C=C=CC(=O)c1cc(Br)sc1Br ZINC000232484727 400972057 /nfs/dbraw/zinc/97/20/57/400972057.db2.gz JHHHQDFUSLNGRT-UHFFFAOYSA-N 0 0 307.994 3.479 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000620304063 401050846 /nfs/dbraw/zinc/05/08/46/401050846.db2.gz OQJIRRIDKOABJG-JZXOWHBKSA-N 0 0 313.397 3.178 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)(F)C(F)F ZINC000620304014 401050950 /nfs/dbraw/zinc/05/09/50/401050950.db2.gz MZIKNKXUGAMEGU-PHIMTYICSA-N 0 0 309.303 3.003 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1NC(=O)C1CC1 ZINC000620303046 401051074 /nfs/dbraw/zinc/05/10/74/401051074.db2.gz HAWPNNMEXOXSAK-GASCZTMLSA-N 0 0 310.397 3.358 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000620313804 401053131 /nfs/dbraw/zinc/05/31/31/401053131.db2.gz DNZJNGWELSQNBW-KFWWJZLASA-N 0 0 301.386 3.172 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncn1-c1ccc(F)cc1 ZINC000620313717 401053292 /nfs/dbraw/zinc/05/32/92/401053292.db2.gz AJPYFFHDCKFMDD-IYBDPMFKSA-N 0 0 311.360 3.335 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCCOCC ZINC000620312940 401053420 /nfs/dbraw/zinc/05/34/20/401053420.db2.gz ROLMGYGAXMNIAZ-IYBDPMFKSA-N 0 0 315.413 3.425 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1cc(Cl)ccc1OC ZINC000620313199 401053723 /nfs/dbraw/zinc/05/37/23/401053723.db2.gz ZUSOTVXTSIAWCQ-OKILXGFUSA-N 0 0 320.820 3.470 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000620315148 401055560 /nfs/dbraw/zinc/05/55/60/401055560.db2.gz ZCFSPLWNJJFLIK-OKILXGFUSA-N 0 0 317.433 3.399 10 30 DGEERN C=CC[C@@H](C(=O)N1CCOc2ccc(O)cc2C1)c1ccccc1 ZINC000620346622 401061583 /nfs/dbraw/zinc/06/15/83/401061583.db2.gz RQSNZBNQYDECHG-GOSISDBHSA-N 0 0 323.392 3.473 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633748652 401084965 /nfs/dbraw/zinc/08/49/65/401084965.db2.gz IPAXLLHDTNZSFU-RISCZKNCSA-N 0 0 315.335 3.457 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594471890 401076499 /nfs/dbraw/zinc/07/64/99/401076499.db2.gz QVJJNWOOMQVIJD-UHFFFAOYSA-N 0 0 321.428 3.445 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)CCCCC#N)cc1 ZINC000594218486 401025939 /nfs/dbraw/zinc/02/59/39/401025939.db2.gz OTXATBLVENSBID-UHFFFAOYSA-N 0 0 300.362 3.017 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000629667251 401028667 /nfs/dbraw/zinc/02/86/67/401028667.db2.gz WFPZXLOAFCNPIB-QGZVFWFLSA-N 0 0 317.429 3.471 10 30 DGEERN C=CCCOCCCCC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000629667250 401028706 /nfs/dbraw/zinc/02/87/06/401028706.db2.gz WFPZXLOAFCNPIB-KRWDZBQOSA-N 0 0 317.429 3.471 10 30 DGEERN C=CCOCCCNC(=O)Cc1coc2c1ccc(OC)c2C ZINC000633628034 401030371 /nfs/dbraw/zinc/03/03/71/401030371.db2.gz FRSGHYXNWPCIIO-UHFFFAOYSA-N 0 0 317.385 3.001 10 30 DGEERN Cc1nnc([C@@H](Nc2cccc(F)c2C#N)c2ccccc2)[nH]1 ZINC000057840316 401031831 /nfs/dbraw/zinc/03/18/31/401031831.db2.gz IXBDCDQIFFMLMP-INIZCTEOSA-N 0 0 307.332 3.325 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000615453203 401082669 /nfs/dbraw/zinc/08/26/69/401082669.db2.gz PHVBQFOOZOYPFF-SCLBCKFNSA-N 0 0 314.429 3.212 10 30 DGEERN C=CCC1(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CCOCC1 ZINC000633642753 401036729 /nfs/dbraw/zinc/03/67/29/401036729.db2.gz ZCPJOEPLPKOLCX-HNNXBMFYSA-N 0 0 305.805 3.221 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](c3ccccn3)C2)CCOCC1 ZINC000615246606 401040680 /nfs/dbraw/zinc/04/06/80/401040680.db2.gz ANBSSKKYQUCHLD-MRXNPFEDSA-N 0 0 314.429 3.161 10 30 DGEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000625349956 401108342 /nfs/dbraw/zinc/10/83/42/401108342.db2.gz 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/nfs/dbraw/zinc/11/32/18/401113218.db2.gz SRGIDUPSCBNEBK-UHFFFAOYSA-N 0 0 315.251 3.286 10 30 DGEERN C=CCCn1cc(CSCCN(C)c2ccccc2)nn1 ZINC000594565611 401113621 /nfs/dbraw/zinc/11/36/21/401113621.db2.gz KOZCXITWYFBYLL-UHFFFAOYSA-N 0 0 302.447 3.224 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCO[C@@](C)(COC)C1)c1ccccc1 ZINC000629898191 401120623 /nfs/dbraw/zinc/12/06/23/401120623.db2.gz BIZXHMYDECPAAW-IEBWSBKVSA-N 0 0 317.429 3.000 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)c(C)cc1Cl ZINC000615676824 401133789 /nfs/dbraw/zinc/13/37/89/401133789.db2.gz GEJFNZMNRQABFF-OAHLLOKOSA-N 0 0 308.809 3.366 10 30 DGEERN C=CCCn1cc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)nn1 ZINC000633848612 401134044 /nfs/dbraw/zinc/13/40/44/401134044.db2.gz WHQPVGLJXXLBKA-CQSZACIVSA-N 0 0 310.401 3.300 10 30 DGEERN C=C[C@](C)(CC)C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633752563 401086425 /nfs/dbraw/zinc/08/64/25/401086425.db2.gz ZSEJAUOVEDKBGX-DZGCQCFKSA-N 0 0 315.335 3.457 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C[C@@H]1c2ccccc2NC1=O 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ZINC000630696920 401311991 /nfs/dbraw/zinc/31/19/91/401311991.db2.gz LEUOURNOBJUVMM-CYBMUJFWSA-N 0 0 301.386 3.209 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2cc(-c3nnco3)ccc2C)C1 ZINC000626377468 401349150 /nfs/dbraw/zinc/34/91/50/401349150.db2.gz XYZPCVPKWMCKGB-ZDUSSCGKSA-N 0 0 312.373 3.475 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000626244279 401328576 /nfs/dbraw/zinc/32/85/76/401328576.db2.gz PZYNUPQXAAHKQU-JTQLQIEISA-N 0 0 308.765 3.499 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(C(=O)NCCC)c2)C1 ZINC000626276419 401333567 /nfs/dbraw/zinc/33/35/67/401333567.db2.gz UBUOXXKDDXRDGQ-CQSZACIVSA-N 0 0 315.417 3.256 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cnc3c(cnn3C(C)C)c2)C1 ZINC000626280119 401333946 /nfs/dbraw/zinc/33/39/46/401333946.db2.gz MFKVXCFGUOCUFA-CYBMUJFWSA-N 0 0 313.405 3.442 10 30 DGEERN C=CCCC1(CNC(=O)c2cnn(CCOCC)c2)CCCC1 ZINC000622137303 401350843 /nfs/dbraw/zinc/35/08/43/401350843.db2.gz VKNRIPUVYGHNOC-UHFFFAOYSA-N 0 0 319.449 3.176 10 30 DGEERN C=CCc1cc(CNC(=O)C2(C)CC(=C)C2)cc(OC)c1OC ZINC000630862651 401344020 /nfs/dbraw/zinc/34/40/20/401344020.db2.gz CRVJROJFOBWABQ-UHFFFAOYSA-N 0 0 315.413 3.405 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000626355821 401345325 /nfs/dbraw/zinc/34/53/25/401345325.db2.gz CFPKUIYKGVMJFI-NVXWUHKLSA-N 0 0 316.401 3.331 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCO[C@H](CCF)C2)c1 ZINC000626355931 401345441 /nfs/dbraw/zinc/34/54/41/401345441.db2.gz JBYUYLTYVQZUHE-MRXNPFEDSA-N 0 0 322.380 3.234 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)C1 ZINC000626359588 401345985 /nfs/dbraw/zinc/34/59/85/401345985.db2.gz JWGFFEARNZFIMC-CYBMUJFWSA-N 0 0 311.389 3.210 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000626366885 401346937 /nfs/dbraw/zinc/34/69/37/401346937.db2.gz ZGSADGPUERJKBH-CYBMUJFWSA-N 0 0 313.401 3.026 10 30 DGEERN C=C[C@H](C)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626067122 401293462 /nfs/dbraw/zinc/29/34/62/401293462.db2.gz 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304.434 3.398 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCc2c(C)cc(C)cc21 ZINC000622795414 401418332 /nfs/dbraw/zinc/41/83/32/401418332.db2.gz NWNXVHQVLCIQLZ-QGZVFWFLSA-N 0 0 314.429 3.054 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1csc(C)c1 ZINC000635208786 401420616 /nfs/dbraw/zinc/42/06/16/401420616.db2.gz XLSIXLKPDNOBQY-OCCSQVGLSA-N 0 0 306.431 3.246 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000626879558 401424848 /nfs/dbraw/zinc/42/48/48/401424848.db2.gz MIVICPJALGBIPS-KRWDZBQOSA-N 0 0 318.417 3.029 10 30 DGEERN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000635260939 401426260 /nfs/dbraw/zinc/42/62/60/401426260.db2.gz RKNPNODJYZMYEI-UHFFFAOYSA-N 0 0 310.344 3.012 10 30 DGEERN C=C(C)[C@@H](NC(=O)C(C)(C)n1cccn1)c1ccc(F)c(F)c1 ZINC000622846992 401427691 /nfs/dbraw/zinc/42/76/91/401427691.db2.gz CURFONFUECGAID-OAHLLOKOSA-N 0 0 319.355 3.330 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000622867392 401430763 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C=CC(C)(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000623472477 401525726 /nfs/dbraw/zinc/52/57/26/401525726.db2.gz PZAOCWKPYUZFDL-INIZCTEOSA-N 0 0 315.461 3.414 10 30 DGEERN C=CCCC(C)(C)NC(=O)c1cc(C)n(C2CCOCC2)n1 ZINC000628156541 401537384 /nfs/dbraw/zinc/53/73/84/401537384.db2.gz SBMBDASTGWQMKX-UHFFFAOYSA-N 0 0 305.422 3.018 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@H](C)Oc2cccc(OC)c2)C1 ZINC000623672081 401566897 /nfs/dbraw/zinc/56/68/97/401566897.db2.gz CHOSJCSFSJSEQR-GJZGRUSLSA-N 0 0 318.417 3.070 10 30 DGEERN C=CCCn1cc(CNc2cc(Cl)cc(C)c2OC)nn1 ZINC000623675763 401567250 /nfs/dbraw/zinc/56/72/50/401567250.db2.gz QDSNXUQKCBEYNY-UHFFFAOYSA-N 0 0 306.797 3.437 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@H](c2cccnc2)C(C)C)C1 ZINC000623701294 401569640 /nfs/dbraw/zinc/56/96/40/401569640.db2.gz VVTUDYJSPYWNKA-WBVHZDCISA-N 0 0 301.434 3.429 10 30 DGEERN C=CC(C)(C)CCNC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000628311690 401574079 /nfs/dbraw/zinc/57/40/79/401574079.db2.gz VWUHFNDQDGTZNA-NSHDSACASA-N 0 0 303.328 3.095 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1 ZINC000628314567 401574565 /nfs/dbraw/zinc/57/45/65/401574565.db2.gz FNJSLFBBDCSANU-UHFFFAOYSA-N 0 0 312.417 3.366 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000628312961 401574568 /nfs/dbraw/zinc/57/45/68/401574568.db2.gz VNIUBTAXRAXFCD-UHFFFAOYSA-N 0 0 303.402 3.411 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000628317021 401575244 /nfs/dbraw/zinc/57/52/44/401575244.db2.gz SQBLPVZSMPZLCG-HZPDHXFCSA-N 0 0 320.477 3.134 10 30 DGEERN C=CC(C)(C)CCNC(=O)CCc1c(C)nc(SC)nc1C ZINC000628318188 401575505 /nfs/dbraw/zinc/57/55/05/401575505.db2.gz RWDZDXHCSSXESY-UHFFFAOYSA-N 0 0 321.490 3.466 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCOc1ncccc1Cl ZINC000623759539 401577526 /nfs/dbraw/zinc/57/75/26/401577526.db2.gz PICAIINTTGQGHZ-UHFFFAOYSA-N 0 0 311.813 3.015 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000623781946 401579163 /nfs/dbraw/zinc/57/91/63/401579163.db2.gz CQASEMYIXTWDEH-AWEZNQCLSA-N 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ZINC000628483940 401606317 /nfs/dbraw/zinc/60/63/17/401606317.db2.gz ALHYUJOZJZVLDX-TZMCWYRMSA-N 0 0 305.805 3.316 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000628484888 401606355 /nfs/dbraw/zinc/60/63/55/401606355.db2.gz WZDZAFOTLLHRNV-CYBMUJFWSA-N 0 0 313.426 3.172 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)C1 ZINC000628485390 401606428 /nfs/dbraw/zinc/60/64/28/401606428.db2.gz KIJYPYQPZFASJO-CPUCHLNUSA-N 0 0 312.413 3.319 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCOCCc2ccccc2)C1 ZINC000628486996 401606684 /nfs/dbraw/zinc/60/66/84/401606684.db2.gz VQMYBKIVHJCKQD-SFHVURJKSA-N 0 0 301.430 3.451 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)COc2ccc(CCC(C)=O)cc2)C1 ZINC000628486097 401606758 /nfs/dbraw/zinc/60/67/58/401606758.db2.gz AOIAOQMUTPCMLR-QGZVFWFLSA-N 0 0 315.413 3.012 10 30 DGEERN C=CC[C@H]1CCN(C(=O)COc2ccc(CCC(C)=O)cc2)C1 ZINC000628486096 401606783 /nfs/dbraw/zinc/60/67/83/401606783.db2.gz AOIAOQMUTPCMLR-KRWDZBQOSA-N 0 0 315.413 3.012 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)C1 ZINC000628488841 401607089 /nfs/dbraw/zinc/60/70/89/401607089.db2.gz JXWGPNVRRCKBHG-GFCCVEGCSA-N 0 0 306.793 3.337 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(C)n([C@H]3CCOC3)c2C)C1 ZINC000628494500 401608373 /nfs/dbraw/zinc/60/83/73/401608373.db2.gz QOLINNKAQCZTPP-HOTGVXAUSA-N 0 0 302.418 3.105 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000623983012 401608832 /nfs/dbraw/zinc/60/88/32/401608832.db2.gz OHBMTYDPVZVQAA-YWPYICTPSA-N 0 0 306.356 3.428 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)C(F)(F)CC ZINC000623985775 401609176 /nfs/dbraw/zinc/60/91/76/401609176.db2.gz BQXZIHJWXXLSLR-QWHCGFSZSA-N 0 0 318.408 3.338 10 30 DGEERN C=C(C)COCCNC(=O)NCc1ccsc1C(F)(F)F ZINC000633119800 401651570 /nfs/dbraw/zinc/65/15/70/401651570.db2.gz HAHWHXPXOSPTFQ-UHFFFAOYSA-N 0 0 322.352 3.159 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCCc1cnc(C2CC2)nc1 ZINC000633138263 401653199 /nfs/dbraw/zinc/65/31/99/401653199.db2.gz HUCKYMNUMFGDRY-UHFFFAOYSA-N 0 0 316.449 3.188 10 30 DGEERN C=CCOCCCC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000628984743 401653683 /nfs/dbraw/zinc/65/36/83/401653683.db2.gz OBONDVLIBIFNHP-IAOVAPTHSA-N 0 0 305.805 3.077 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)OCC ZINC000628984457 401653689 /nfs/dbraw/zinc/65/36/89/401653689.db2.gz ZHXMRDAGBINKER-OXXUSNJHSA-N 0 0 319.832 3.466 10 30 DGEERN C=CCOc1ccc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1OC ZINC000629055621 401660249 /nfs/dbraw/zinc/66/02/49/401660249.db2.gz VKKOBWRZMWAXKL-CCWDJLKJSA-N 0 0 315.413 3.426 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1csc(C)c1C ZINC000633208276 401660603 /nfs/dbraw/zinc/66/06/03/401660603.db2.gz YDRLRYGWSXDNCK-DZGCQCFKSA-N 0 0 308.447 3.145 10 30 DGEERN C=C1CC(C)(C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)C1 ZINC000633186230 401658528 /nfs/dbraw/zinc/65/85/28/401658528.db2.gz IKJLRAOUFQTSKE-CQSZACIVSA-N 0 0 302.393 3.219 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@@H](OC)c1cccc(OC)c1 ZINC000624433815 401659676 /nfs/dbraw/zinc/65/96/76/401659676.db2.gz CLYWOJPOYMKJCM-MRXNPFEDSA-N 0 0 320.433 3.284 10 30 DGEERN C=CC(C)(C)CCNC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000624469888 401663295 /nfs/dbraw/zinc/66/32/95/401663295.db2.gz DFNDEQSQVYPONU-UHFFFAOYSA-N 0 0 320.433 3.448 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCN(Cc2cccs2)CC1 ZINC000624470123 401663523 /nfs/dbraw/zinc/66/35/23/401663523.db2.gz OXYRLIVIMJHTCA-UHFFFAOYSA-N 0 0 321.490 3.178 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1cnc2n1CCCC2 ZINC000633231243 401663658 /nfs/dbraw/zinc/66/36/58/401663658.db2.gz NSKFSIYKNFHBDK-UHFFFAOYSA-N 0 0 304.438 3.011 10 30 DGEERN C=C(C)CCNC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000633277184 401669160 /nfs/dbraw/zinc/66/91/60/401669160.db2.gz CVWRXPFYGBCIJD-UHFFFAOYSA-N 0 0 306.381 3.345 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000633282655 401669225 /nfs/dbraw/zinc/66/92/25/401669225.db2.gz IDSTWFNGNZMBKN-VNHYZAJKSA-N 0 0 304.390 3.106 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCC1(CF)CCOCC1 ZINC000633284648 401669721 /nfs/dbraw/zinc/66/97/21/401669721.db2.gz VHMJZMVZRACCQO-UHFFFAOYSA-N 0 0 300.418 3.044 10 30 DGEERN C=CCn1c(=O)[nH]nc1SCc1ccccc1OC1CC1 ZINC000629161120 401670720 /nfs/dbraw/zinc/67/07/20/401670720.db2.gz GVINHSBAEHOXTN-UHFFFAOYSA-N 0 0 303.387 3.003 10 30 DGEERN C=CCC(C)(C)c1noc(-c2ccn(C3CCOCC3)n2)n1 ZINC000624633527 401677292 /nfs/dbraw/zinc/67/72/92/401677292.db2.gz HHUZJUFOLQXYRS-UHFFFAOYSA-N 0 0 302.378 3.138 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000624638318 401677376 /nfs/dbraw/zinc/67/73/76/401677376.db2.gz RBXRICCXWSDXEU-KBPBESRZSA-N 0 0 318.417 3.372 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1N1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000629474512 401687052 /nfs/dbraw/zinc/68/70/52/401687052.db2.gz MWHCACCJMAHUOE-IVMMDQJWSA-N 0 0 314.385 3.276 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H]2c3ccoc3CCN2C1=O ZINC000629474511 401687069 /nfs/dbraw/zinc/68/70/69/401687069.db2.gz MWHCACCJMAHUOE-INWMFGNUSA-N 0 0 314.385 3.276 10 30 DGEERN COc1ccc(C(=O)N=C2C(C)=CC(=O)C(Cl)=C2C)cc1 ZINC000101028457 286271168 /nfs/dbraw/zinc/27/11/68/286271168.db2.gz VKMRFJAKLGFPQI-OBGWFSINSA-N 0 0 303.745 3.318 10 30 DGEERN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000047282122 287016032 /nfs/dbraw/zinc/01/60/32/287016032.db2.gz RGISQVSTMNVMRZ-GFCCVEGCSA-N 0 0 312.822 3.165 10 30 DGEERN CCCC(CCC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183654919 164957078 /nfs/dbraw/zinc/95/70/78/164957078.db2.gz ITWSTXLOMLFBBR-UHFFFAOYSA-N 0 0 311.389 3.294 10 30 DGEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)c1 ZINC000183646401 164957103 /nfs/dbraw/zinc/95/71/03/164957103.db2.gz DKTTYEIKSCOBBM-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN CC(C)[C@@H]1C[C@H]1C(=O)NCCSCc1ccccc1C#N ZINC000184967739 164989632 /nfs/dbraw/zinc/98/96/32/164989632.db2.gz OHLRLAYANHFCAX-JKSUJKDBSA-N 0 0 302.443 3.200 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2ccc(F)cc2F)cn1 ZINC000185845119 165018858 /nfs/dbraw/zinc/01/88/58/165018858.db2.gz ZVJHEDWHXLGASW-UHFFFAOYSA-N 0 0 311.295 3.029 10 30 DGEERN Cc1ccc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000185897603 165019930 /nfs/dbraw/zinc/01/99/30/165019930.db2.gz RTUCNVXGFFQQCZ-UHFFFAOYSA-N 0 0 324.369 3.153 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000185951228 165023175 /nfs/dbraw/zinc/02/31/75/165023175.db2.gz FDBLJWSCTWZTRH-UHFFFAOYSA-N 0 0 320.352 3.096 10 30 DGEERN C[C@H](Cc1ccc(F)cc1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186006241 165024447 /nfs/dbraw/zinc/02/44/47/165024447.db2.gz MXCNFVSZLRFARQ-CYBMUJFWSA-N 0 0 321.359 3.321 10 30 DGEERN N#Cc1cccnc1-n1cc(N[C@H]2CCc3ccccc32)cn1 ZINC000186018814 165025685 /nfs/dbraw/zinc/02/56/85/165025685.db2.gz NEBQKIMKKVGKSH-KRWDZBQOSA-N 0 0 301.353 3.238 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3cccc(F)c3C#N)c2)no1 ZINC000187128927 165076347 /nfs/dbraw/zinc/07/63/47/165076347.db2.gz OIEULTGANPLXHR-UHFFFAOYSA-N 0 0 322.299 3.308 10 30 DGEERN COc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1F ZINC000187599870 165097882 /nfs/dbraw/zinc/09/78/82/165097882.db2.gz WXXWYXCKCFISQA-UHFFFAOYSA-N 0 0 310.328 3.376 10 30 DGEERN CCSCC[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187711608 165102291 /nfs/dbraw/zinc/10/22/91/165102291.db2.gz SMYLXTLIWWAKLX-CYBMUJFWSA-N 0 0 302.443 3.238 10 30 DGEERN Cc1ccccc1OCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188595129 165129239 /nfs/dbraw/zinc/12/92/39/165129239.db2.gz YMUMPLZDSATJEW-UHFFFAOYSA-N 0 0 320.392 3.094 10 30 DGEERN COc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1C ZINC000188734650 165134283 /nfs/dbraw/zinc/13/42/83/165134283.db2.gz QPZXFTAWUBLFFQ-UHFFFAOYSA-N 0 0 320.392 3.223 10 30 DGEERN Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)C1CCCCC1 ZINC000191359891 165246786 /nfs/dbraw/zinc/24/67/86/165246786.db2.gz WLRLJUSKOORHMJ-KRWDZBQOSA-N 0 0 310.401 3.066 10 30 DGEERN N#Cc1ccc(CSc2nnc(-c3ccncc3)o2)cc1F ZINC000191496465 165255242 /nfs/dbraw/zinc/25/52/42/165255242.db2.gz ARDXFQOSRQCJEK-UHFFFAOYSA-N 0 0 312.329 3.435 10 30 DGEERN Cc1csc([C@H]2CN(Cc3ccc(C#N)c(F)c3)CCO2)n1 ZINC000191977137 165277844 /nfs/dbraw/zinc/27/78/44/165277844.db2.gz HZEZZLXKGJLFIZ-OAHLLOKOSA-N 0 0 317.389 3.036 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000192544946 165296002 /nfs/dbraw/zinc/29/60/02/165296002.db2.gz VBWQUNRUVPMTPZ-SNVBAGLBSA-N 0 0 317.295 3.046 10 30 DGEERN Cc1occc1-c1nnc(NCc2c(F)cc(C#N)cc2F)o1 ZINC000192748429 165304158 /nfs/dbraw/zinc/30/41/58/165304158.db2.gz HURPGRWTKQMSKV-UHFFFAOYSA-N 0 0 316.267 3.400 10 30 DGEERN CCOc1ccc2nc(NC(=O)c3ccnc(C#N)c3)sc2c1 ZINC000193084250 165316257 /nfs/dbraw/zinc/31/62/57/165316257.db2.gz CBVKZCVQVNBVTH-UHFFFAOYSA-N 0 0 324.365 3.214 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccccc2CC(F)(F)F)ccn1 ZINC000193362661 165323857 /nfs/dbraw/zinc/32/38/57/165323857.db2.gz PIJPMJIYWLYYFH-UHFFFAOYSA-N 0 0 305.259 3.310 10 30 DGEERN Cc1coc(-c2ccc(C)c(NC(=O)c3ccnc(C#N)c3)c2)n1 ZINC000193532479 165327330 /nfs/dbraw/zinc/32/73/30/165327330.db2.gz DLDRWWLNDWSKLD-UHFFFAOYSA-N 0 0 318.336 3.477 10 30 DGEERN N#Cc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)ccn1 ZINC000193714482 165328080 /nfs/dbraw/zinc/32/80/80/165328080.db2.gz FZKJWBYPCXOHBY-UHFFFAOYSA-N 0 0 311.772 3.068 10 30 DGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000247009751 165557509 /nfs/dbraw/zinc/55/75/09/165557509.db2.gz RLURZKNFAIAVAK-DUVNUKRYSA-N 0 0 318.442 3.116 10 30 DGEERN C=CCOc1cccc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000129266109 196033473 /nfs/dbraw/zinc/03/34/73/196033473.db2.gz PXZMEFAJZJQEIB-INIZCTEOSA-N 0 0 316.426 3.281 10 30 DGEERN COc1ccc(Nc2ccccc2C(=O)NC[C@@H](C)C#N)cc1 ZINC000171784362 432171644 /nfs/dbraw/zinc/17/16/44/432171644.db2.gz OCHQILBOXSRNPA-ZDUSSCGKSA-N 0 0 309.369 3.328 10 30 DGEERN C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000246970012 432186920 /nfs/dbraw/zinc/18/69/20/432186920.db2.gz RTVQBKQHTQTRDY-ZIAGYGMSSA-N 0 0 321.490 3.137 10 30 DGEERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000130842821 196115010 /nfs/dbraw/zinc/11/50/10/196115010.db2.gz WOZPRRIDTJEKLU-INIZCTEOSA-N 0 0 323.400 3.186 10 30 DGEERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000130841083 196115061 /nfs/dbraw/zinc/11/50/61/196115061.db2.gz ZMIVHTHIYSRGRB-INIZCTEOSA-N 0 0 323.400 3.186 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)C(C)C)cc1 ZINC000172439585 432214692 /nfs/dbraw/zinc/21/46/92/432214692.db2.gz MBWSFTQKMJERSW-CYBMUJFWSA-N 0 0 303.406 3.016 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000269747357 432204299 /nfs/dbraw/zinc/20/42/99/432204299.db2.gz BCRACWBRSDDJGX-YJBOKZPZSA-N 0 0 314.335 3.144 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)CC1 ZINC000191157316 432228420 /nfs/dbraw/zinc/22/84/20/432228420.db2.gz NUNAXWAUSAFBKK-SFHVURJKSA-N 0 0 324.424 3.273 10 30 DGEERN COc1cc(C#N)ccc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000133052714 196307843 /nfs/dbraw/zinc/30/78/43/196307843.db2.gz IAQPUROORZHBBI-UHFFFAOYSA-N 0 0 323.327 3.471 10 30 DGEERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2C)C12CCC2 ZINC000133109922 196312665 /nfs/dbraw/zinc/31/26/65/196312665.db2.gz FUGYNMBZHSMQBP-IAGOWNOFSA-N 0 0 312.413 3.286 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000133936464 196347733 /nfs/dbraw/zinc/34/77/33/196347733.db2.gz AYDKWFAOALDDCY-CEXWTWQISA-N 0 0 302.377 3.325 10 30 DGEERN C[C@H](CC(=O)Nc1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000436017405 533680988 /nfs/dbraw/zinc/68/09/88/533680988.db2.gz XVMGDANDHYSOPT-SNVBAGLBSA-N 0 0 301.296 3.364 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000153370235 227083576 /nfs/dbraw/zinc/08/35/76/227083576.db2.gz FIUCETPXVXUUJW-LBPRGKRZSA-N 0 0 302.422 3.208 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000184575875 335079094 /nfs/dbraw/zinc/07/90/94/335079094.db2.gz YYIBWUXGTDGLGA-HNNXBMFYSA-N 0 0 315.373 3.017 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSC(C)C ZINC000520141527 335082697 /nfs/dbraw/zinc/08/26/97/335082697.db2.gz VWSHAPLQHBULNH-UHFFFAOYSA-N 0 0 308.403 3.251 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000189040377 287499407 /nfs/dbraw/zinc/49/94/07/287499407.db2.gz CGZXQQRTRZTRDG-PELKAZGASA-N 0 0 317.336 3.364 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000160828079 228249459 /nfs/dbraw/zinc/24/94/59/228249459.db2.gz RYQCHBZDURKWOM-UHFFFAOYSA-N 0 0 319.364 3.468 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC000161333190 228251842 /nfs/dbraw/zinc/25/18/42/228251842.db2.gz QXLJJFGFXAMQDB-UHFFFAOYSA-N 0 0 321.315 3.043 10 30 DGEERN N#CCCCC[S@@](=O)Cc1csc(Br)c1 ZINC000172832192 228277567 /nfs/dbraw/zinc/27/75/67/228277567.db2.gz OJWHIWFKJWMACX-OAHLLOKOSA-N 0 0 306.250 3.453 10 30 DGEERN N#CCCCCNC(=O)c1ncoc1-c1ccccc1Cl ZINC000172978273 228278413 /nfs/dbraw/zinc/27/84/13/228278413.db2.gz JKDRYROFEGSXMW-UHFFFAOYSA-N 0 0 303.749 3.419 10 30 DGEERN N#CCc1ccc(NC(=O)NCCc2cc(F)ccc2F)cc1 ZINC000176279502 228310877 /nfs/dbraw/zinc/31/08/77/228310877.db2.gz UTHQXPDJVFYCCU-UHFFFAOYSA-N 0 0 315.323 3.395 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000176424626 228313113 /nfs/dbraw/zinc/31/31/13/228313113.db2.gz FMGQPZRXPHAJHX-UHFFFAOYSA-N 0 0 309.247 3.048 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000176612351 228316382 /nfs/dbraw/zinc/31/63/82/228316382.db2.gz WRZBDYNIJJAMJU-UHFFFAOYSA-N 0 0 316.364 3.135 10 30 DGEERN Cc1cc(C(=O)Nc2ccc(F)cc2C#N)nn1-c1ccccc1 ZINC000177581212 228332860 /nfs/dbraw/zinc/33/28/60/228332860.db2.gz BPMMZDMMSJBOAU-UHFFFAOYSA-N 0 0 320.327 3.444 10 30 DGEERN Cc1ccc(CCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000183971531 228379013 /nfs/dbraw/zinc/37/90/13/228379013.db2.gz FSMDCXLWCYQVKS-OAQYLSRUSA-N 0 0 318.420 3.495 10 30 DGEERN C[C@H](C#N)Oc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184061594 228380575 /nfs/dbraw/zinc/38/05/75/228380575.db2.gz NLXMQBHPODIKMQ-ACJLOTCBSA-N 0 0 324.380 3.405 10 30 DGEERN O=C1COc2cc(NCC#Cc3ccccc3)c(Cl)cc2N1 ZINC000190337406 228505355 /nfs/dbraw/zinc/50/53/55/228505355.db2.gz TWYZOMLZOJOBDK-UHFFFAOYSA-N 0 0 312.756 3.135 10 30 DGEERN Cc1ccc(Cl)cc1CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329787266 228960251 /nfs/dbraw/zinc/96/02/51/228960251.db2.gz RALYJQHGRLYEEI-ZIAGYGMSSA-N 0 0 321.808 3.113 10 30 DGEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1COc2ccccc2C1 ZINC000328684428 228908038 /nfs/dbraw/zinc/90/80/38/228908038.db2.gz WVOAVGBNWIAXMX-UONOGXRCSA-N 0 0 302.374 3.236 10 30 DGEERN CN(C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@@H]1CCNC1=O ZINC000330035549 228973350 /nfs/dbraw/zinc/97/33/50/228973350.db2.gz XNADGMBQIRHACP-NWANDNLSSA-N 0 0 319.380 3.036 10 30 DGEERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330168632 228979166 /nfs/dbraw/zinc/97/91/66/228979166.db2.gz WKWUSFUUYJPUIK-UPJWGTAASA-N 0 0 320.355 3.179 10 30 DGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000334013407 229040753 /nfs/dbraw/zinc/04/07/53/229040753.db2.gz WZMZFRZCZJAVCH-JYJNAYRXSA-N 0 0 319.449 3.250 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CSCc1ccc(Cl)cc1 ZINC000359674436 229381773 /nfs/dbraw/zinc/38/17/73/229381773.db2.gz PGWGEUWWAOSZBU-JSGCOSHPSA-N 0 0 308.834 3.382 10 30 DGEERN N#C[C@@H]1CN(Cc2ccc(SC(F)F)cc2)CCN1C1CC1 ZINC000360093254 229391211 /nfs/dbraw/zinc/39/12/11/229391211.db2.gz QFUVYUCWNOAOKU-CQSZACIVSA-N 0 0 323.412 3.173 10 30 DGEERN Cc1c(Br)ccc(C(=O)NCC(C)(C)C#N)c1F ZINC000360269136 229394553 /nfs/dbraw/zinc/39/45/53/229394553.db2.gz AMSJSWGBGAKXJB-UHFFFAOYSA-N 0 0 313.170 3.176 10 30 DGEERN N#C[C@@H]1CN(Cc2csc(Cl)c2Cl)CCN1C1CC1 ZINC000368439388 229495145 /nfs/dbraw/zinc/49/51/45/229495145.db2.gz UFQHCOCFATUWKO-LLVKDONJSA-N 0 0 316.257 3.227 10 30 DGEERN N#CCC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000368485023 229497251 /nfs/dbraw/zinc/49/72/51/229497251.db2.gz UOQLWEHGCGUFRW-CYBMUJFWSA-N 0 0 300.255 3.016 10 30 DGEERN N#Cc1nccnc1N[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000301193447 229553228 /nfs/dbraw/zinc/55/32/28/229553228.db2.gz SOIKUWIGVZZSMD-VXGBXAGGSA-N 0 0 315.174 3.079 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC(c2ncccc2Cl)CC1 ZINC000375932585 229584299 /nfs/dbraw/zinc/58/42/99/229584299.db2.gz MQSNXPQAVUPRJR-CYBMUJFWSA-N 0 0 302.809 3.358 10 30 DGEERN CCc1nnc(Oc2ccc3c(c2)CCC3=O)c(C#N)c1CC ZINC000302557791 230296590 /nfs/dbraw/zinc/29/65/90/230296590.db2.gz SLLDTGWJZWDERT-UHFFFAOYSA-N 0 0 307.353 3.394 10 30 DGEERN Cc1ccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1C#N ZINC000302624668 230324064 /nfs/dbraw/zinc/32/40/64/230324064.db2.gz HSPKSFNFOMGOHW-CYBMUJFWSA-N 0 0 316.405 3.073 10 30 DGEERN N#Cc1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)nc1 ZINC000107437601 270003551 /nfs/dbraw/zinc/00/35/51/270003551.db2.gz NRIVKBQRDRDDFB-KRWDZBQOSA-N 0 0 303.321 3.066 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC2(C1)CCCC2 ZINC000364448793 265905621 /nfs/dbraw/zinc/90/56/21/265905621.db2.gz RHUDONIKUHSUIW-KRWDZBQOSA-N 0 0 312.413 3.364 10 30 DGEERN N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1Cl ZINC000525967063 424832046 /nfs/dbraw/zinc/83/20/46/424832046.db2.gz NSNOMAUVOQURJT-CYBMUJFWSA-N 0 0 316.748 3.039 10 30 DGEERN C[C@@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccccc1C#N ZINC000368458311 266979757 /nfs/dbraw/zinc/97/97/57/266979757.db2.gz LMEFVMYPJWVLIP-CYBMUJFWSA-N 0 0 321.380 3.322 10 30 DGEERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2sccc2C#N)C1 ZINC000374159655 267030415 /nfs/dbraw/zinc/03/04/15/267030415.db2.gz LNESGMNTYULVFS-NGFQHRJXSA-N 0 0 318.442 3.021 10 30 DGEERN CCN(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000530908160 267069930 /nfs/dbraw/zinc/06/99/30/267069930.db2.gz KMKOMVPSTBJWGK-UHFFFAOYSA-N 0 0 308.381 3.158 10 30 DGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCCC2 ZINC000370494995 267201325 /nfs/dbraw/zinc/20/13/25/267201325.db2.gz NURUDDJFWJWPST-ZDUSSCGKSA-N 0 0 322.364 3.289 10 30 DGEERN CN(C[C@H]1CC=CCC1)c1nnc(-c2cccc(C#N)c2)n1C ZINC000508607853 267308389 /nfs/dbraw/zinc/30/83/89/267308389.db2.gz DPCXPVCYBOPGPG-AWEZNQCLSA-N 0 0 307.401 3.146 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000367716070 267313712 /nfs/dbraw/zinc/31/37/12/267313712.db2.gz NKJCTNDHTQOQIV-UHFFFAOYSA-N 0 0 308.360 3.480 10 30 DGEERN Cc1cc(C#N)nc(N2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000367276089 267315269 /nfs/dbraw/zinc/31/52/69/267315269.db2.gz AAXUQUNSJSPJDT-OAHLLOKOSA-N 0 0 300.312 3.276 10 30 DGEERN Cc1cc(C#N)nc(N2CCn3c(cc4c3cccc4Cl)C2)n1 ZINC000376392232 267316602 /nfs/dbraw/zinc/31/66/02/267316602.db2.gz ROPBWYQQDMAUIX-UHFFFAOYSA-N 0 0 323.787 3.285 10 30 DGEERN CN(Cc1nc2ccccc2s1)C(=O)Cc1cccc(C#N)c1 ZINC000531386145 267323854 /nfs/dbraw/zinc/32/38/54/267323854.db2.gz ULTZIBKBJOEBNB-UHFFFAOYSA-N 0 0 321.405 3.369 10 30 DGEERN COc1c(F)cc(NC(=O)Cc2cccc(C#N)c2)cc1F ZINC000530907629 267555712 /nfs/dbraw/zinc/55/57/12/267555712.db2.gz HSYVMNWZIKYSHA-UHFFFAOYSA-N 0 0 302.280 3.026 10 30 DGEERN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)COCc1ccccc1 ZINC000531157883 267696637 /nfs/dbraw/zinc/69/66/37/267696637.db2.gz CACGPHWDKWCJIM-INIZCTEOSA-N 0 0 322.408 3.070 10 30 DGEERN Cc1cc(Cl)cc(NC(=O)Cc2cccc(C#N)c2)c1O ZINC000530919422 268002564 /nfs/dbraw/zinc/00/25/64/268002564.db2.gz ILFMYMMVWVOLTI-UHFFFAOYSA-N 0 0 300.745 3.407 10 30 DGEERN N#Cc1ccc(CCC(=O)Nc2cccc(CCCO)c2)cc1 ZINC000359502821 268060916 /nfs/dbraw/zinc/06/09/16/268060916.db2.gz LTTBDSGAPJDFLU-UHFFFAOYSA-N 0 0 308.381 3.054 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000530907527 268272494 /nfs/dbraw/zinc/27/24/94/268272494.db2.gz INKVEHYIJXLCEW-LJQANCHMSA-N 0 0 322.383 3.474 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000531149334 268273262 /nfs/dbraw/zinc/27/32/62/268273262.db2.gz PNXSCMHCXQOAKR-IBGZPJMESA-N 0 0 304.393 3.334 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000530907526 268273316 /nfs/dbraw/zinc/27/33/16/268273316.db2.gz INKVEHYIJXLCEW-IBGZPJMESA-N 0 0 322.383 3.474 10 30 DGEERN N#Cc1cccc(CC(=O)NCC2(c3ccc(F)cc3)CCC2)c1 ZINC000530915145 268274878 /nfs/dbraw/zinc/27/48/78/268274878.db2.gz SSMZPBINSFOHCF-UHFFFAOYSA-N 0 0 322.383 3.478 10 30 DGEERN N#Cc1cccc(CC(=O)NCCc2cc3ccccc3o2)c1 ZINC000530675948 268275615 /nfs/dbraw/zinc/27/56/15/268275615.db2.gz GNOUVJRVNSWISW-UHFFFAOYSA-N 0 0 304.349 3.206 10 30 DGEERN N#Cc1cccc(CC(=O)NC[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000520686643 268275716 /nfs/dbraw/zinc/27/57/16/268275716.db2.gz VRLLRVVVQRQVFR-KRWDZBQOSA-N 0 0 312.413 3.099 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000531146501 268277916 /nfs/dbraw/zinc/27/79/16/268277916.db2.gz TYSXPOLRUIMNGX-UHFFFAOYSA-N 0 0 303.321 3.394 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000531385092 268278284 /nfs/dbraw/zinc/27/82/84/268278284.db2.gz PQGWYIIVENPOEM-UHFFFAOYSA-N 0 0 311.410 3.465 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000530909734 268278737 /nfs/dbraw/zinc/27/87/37/268278737.db2.gz MMJZLEIAHYNHIT-UHFFFAOYSA-N 0 0 314.348 3.196 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000363393829 268300854 /nfs/dbraw/zinc/30/08/54/268300854.db2.gz WLMISUMQCCLBEA-CYBMUJFWSA-N 0 0 300.358 3.389 10 30 DGEERN C=CCn1c(N2Cc3ccccc3C2)nnc1[C@]1(C)CCCO1 ZINC000453435586 275435227 /nfs/dbraw/zinc/43/52/27/275435227.db2.gz GQNUZNUGHDPOBG-SFHVURJKSA-N 0 0 310.401 3.010 10 30 DGEERN CC(C)c1cccc2c1CCN(C(=O)c1ccc(C#N)n1C)C2 ZINC000451131726 275752941 /nfs/dbraw/zinc/75/29/41/275752941.db2.gz SJLDVBKDZIOAPF-UHFFFAOYSA-N 0 0 307.397 3.219 10 30 DGEERN CC(C)C[C@@H]1C[C@@H](NC(=O)c2cn3ccnc3s2)CCO1 ZINC000329809173 275906477 /nfs/dbraw/zinc/90/64/77/275906477.db2.gz AYXBHQVMPALBPM-NWDGAFQWSA-N 0 0 307.419 3.294 10 30 DGEERN CC(C)[C@@]1(C)C[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333610937 276010492 /nfs/dbraw/zinc/01/04/92/276010492.db2.gz OCRGWOLRVIYDMC-SFNKJDCFSA-N 0 0 311.429 3.370 10 30 DGEERN CC1(C#N)CCN(C(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000442675062 276096587 /nfs/dbraw/zinc/09/65/87/276096587.db2.gz XQAANDBRVNBOIF-UHFFFAOYSA-N 0 0 300.377 3.301 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000626452871 429949950 /nfs/dbraw/zinc/94/99/50/429949950.db2.gz JHFDETHIBSOQKA-UHFFFAOYSA-N 0 0 304.316 3.169 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ccc(OCCC(C)C)nn2)C1 ZINC000626613396 429951438 /nfs/dbraw/zinc/95/14/38/429951438.db2.gz CYQIBFMAYOHZDA-AWEZNQCLSA-N 0 0 318.421 3.331 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000491245938 276875223 /nfs/dbraw/zinc/87/52/23/276875223.db2.gz AJIINPFWBUUMKT-IJEWVQPXSA-N 0 0 303.427 3.321 10 30 DGEERN C=CC(C)(C)CN1C(=O)[C@H]2C[C@H](C3CCCCC3)CN2C1=O ZINC000419991408 276880939 /nfs/dbraw/zinc/88/09/39/276880939.db2.gz BFPMUOAROXLMNM-LSDHHAIUSA-N 0 0 304.434 3.432 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CSC ZINC000287195043 277697780 /nfs/dbraw/zinc/69/77/80/277697780.db2.gz DFNNCDYYUCTFCL-SJORKVTESA-N 0 0 316.470 3.158 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645905 277771354 /nfs/dbraw/zinc/77/13/54/277771354.db2.gz TUUVLPXXIHFXKT-UONOGXRCSA-N 0 0 319.405 3.059 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421972462 277782786 /nfs/dbraw/zinc/78/27/86/277782786.db2.gz BULIJDXSWPLYOK-KKUMJFAQSA-N 0 0 309.450 3.415 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000412664447 277782798 /nfs/dbraw/zinc/78/27/98/277782798.db2.gz XOXVCQAMPAEMSP-IFXJQAMLSA-N 0 0 313.397 3.225 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H](C)CC#N ZINC000424240015 277786821 /nfs/dbraw/zinc/78/68/21/277786821.db2.gz HWGWJNYZYBYDAQ-OLZOCXBDSA-N 0 0 305.451 3.161 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](OCCCC)C1(C)C ZINC000469530796 277808394 /nfs/dbraw/zinc/80/83/94/277808394.db2.gz IRTJMUJFLITDPL-FXUDXRNXSA-N 0 0 309.450 3.068 10 30 DGEERN C=CC(C)(C)CN1C(=O)[C@H]2C[C@@H](C3CCCCC3)CN2C1=O ZINC000419991404 277820378 /nfs/dbraw/zinc/82/03/78/277820378.db2.gz BFPMUOAROXLMNM-HUUCEWRRSA-N 0 0 304.434 3.432 10 30 DGEERN CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619696584 430597563 /nfs/dbraw/zinc/59/75/63/430597563.db2.gz YMNFBZSFIHBEQE-YGRLFVJLSA-N 0 0 313.323 3.445 10 30 DGEERN CC(C)[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619696582 430597619 /nfs/dbraw/zinc/59/76/19/430597619.db2.gz YMNFBZSFIHBEQE-HZMBPMFUSA-N 0 0 313.323 3.445 10 30 DGEERN C=CC[C@@H]1N(C(=O)C[C@@H]2CCOC[C@H]2OC)CCCC1(C)C ZINC000451218510 277882632 /nfs/dbraw/zinc/88/26/32/277882632.db2.gz RRUNZXMKKDJKJT-XHSDSOJGSA-N 0 0 309.450 3.021 10 30 DGEERN C=CC[C@@H]1N(C(=O)c2cc3c([nH]2)CCOC3)CCCC1(C)C ZINC000457761083 277883855 /nfs/dbraw/zinc/88/38/55/277883855.db2.gz LTRSFEDVKUQUIW-INIZCTEOSA-N 0 0 302.418 3.294 10 30 DGEERN C=CC[C@H]1N(C(=O)c2cc(C(N)=O)cn2C)CCCC1(C)C ZINC000331306191 277890951 /nfs/dbraw/zinc/89/09/51/277890951.db2.gz ZOIOBHHVFUQTNM-CQSZACIVSA-N 0 0 303.406 3.115 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000192656541 278858633 /nfs/dbraw/zinc/85/86/33/278858633.db2.gz HMNWBXKLMDVMCI-FZKQIMNGSA-N 0 0 323.352 3.433 10 30 DGEERN Cc1nnc(N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(C#N)c1C ZINC000302651460 279225480 /nfs/dbraw/zinc/22/54/80/279225480.db2.gz BSRKRJJFIPPVGO-LBPRGKRZSA-N 0 0 312.339 3.380 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000450839773 279304920 /nfs/dbraw/zinc/30/49/20/279304920.db2.gz CVPFRIJUOWUEDJ-UHFFFAOYSA-N 0 0 307.397 3.182 10 30 DGEERN CCC1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110200551 431188328 /nfs/dbraw/zinc/18/83/28/431188328.db2.gz RBHSMJDPNLMPJN-UHFFFAOYSA-N 0 0 300.402 3.216 10 30 DGEERN CC(C)N(c1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000068918595 431149765 /nfs/dbraw/zinc/14/97/65/431149765.db2.gz ACZWLOJMLLGXQV-UHFFFAOYSA-N 0 0 318.373 3.301 10 30 DGEERN Cc1ccc(C)c(OCCCCC(=O)N[C@H](C#N)C2CC2)c1 ZINC000108829180 431156593 /nfs/dbraw/zinc/15/65/93/431156593.db2.gz GPXWYAOXAFJIGU-MRXNPFEDSA-N 0 0 300.402 3.271 10 30 DGEERN N#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C1CC1 ZINC000108829547 431156986 /nfs/dbraw/zinc/15/69/86/431156986.db2.gz MKWYHUSBEHLNIC-HNNXBMFYSA-N 0 0 314.316 3.030 10 30 DGEERN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H](C#N)C1CC1 ZINC000108836877 431157081 /nfs/dbraw/zinc/15/70/81/431157081.db2.gz UTLBPAMTYOBQMQ-CJNGLKHVSA-N 0 0 300.402 3.304 10 30 DGEERN Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)C3CC3)cs2)c1 ZINC000108831522 431157118 /nfs/dbraw/zinc/15/71/18/431157118.db2.gz SKLZYGKXEFZXOQ-HNNXBMFYSA-N 0 0 311.410 3.079 10 30 DGEERN N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)C1CC1 ZINC000108839541 431157353 /nfs/dbraw/zinc/15/73/53/431157353.db2.gz STLMHHIGIKCCGT-LLVKDONJSA-N 0 0 319.158 3.227 10 30 DGEERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3cc(C#N)ccc3C)C2)c1 ZINC000111741799 431234690 /nfs/dbraw/zinc/23/46/90/431234690.db2.gz XNVZSZVQGIWJSQ-MRXNPFEDSA-N 0 0 323.400 3.241 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000112837825 431309372 /nfs/dbraw/zinc/30/93/72/431309372.db2.gz ZOZGZZHRFJMYMQ-KQTLUZQSSA-N 0 0 300.402 3.266 10 30 DGEERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C#N)C1CC1 ZINC000112908401 431317279 /nfs/dbraw/zinc/31/72/79/431317279.db2.gz FTJYWEKBPYYISU-PELKAZGASA-N 0 0 313.184 3.179 10 30 DGEERN N#Cc1ccsc1NC(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114494264 431395542 /nfs/dbraw/zinc/39/55/42/431395542.db2.gz YWXXDHVWRJWKJR-KRWDZBQOSA-N 0 0 315.442 3.381 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115360718 431450028 /nfs/dbraw/zinc/45/00/28/431450028.db2.gz VRXCTFQOBGGHKD-ACJLOTCBSA-N 0 0 306.365 3.275 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2coc(Br)c2)C1 ZINC000116813594 431530241 /nfs/dbraw/zinc/53/02/41/431530241.db2.gz KJDDXLSICYLBAM-RNCFNFMXSA-N 0 0 311.179 3.244 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000116971718 431540999 /nfs/dbraw/zinc/54/09/99/431540999.db2.gz BVZNIWUADHHTBI-WFASDCNBSA-N 0 0 308.809 3.388 10 30 DGEERN C=CCN(CC=C)C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000117053345 431546022 /nfs/dbraw/zinc/54/60/22/431546022.db2.gz VQLKCYFDHINOIA-UHFFFAOYSA-N 0 0 301.365 3.233 10 30 DGEERN C=CCCCN(C)C(=O)Cn1c(CSC)nc2ccccc21 ZINC000076485831 431552729 /nfs/dbraw/zinc/55/27/29/431552729.db2.gz TZLIDISZZNLDGP-UHFFFAOYSA-N 0 0 317.458 3.324 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCCC1(C)C ZINC000077352912 431585223 /nfs/dbraw/zinc/58/52/23/431585223.db2.gz REPZWLVAZCZTHW-UHFFFAOYSA-N 0 0 316.401 3.127 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000077601908 431609923 /nfs/dbraw/zinc/60/99/23/431609923.db2.gz LMINXDMFOVNXKM-MRXNPFEDSA-N 0 0 301.434 3.263 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000077862381 431628331 /nfs/dbraw/zinc/62/83/31/431628331.db2.gz VFIQDPBOUQUBNZ-UHFFFAOYSA-N 0 0 314.307 3.069 10 30 DGEERN C=CCOc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000078182192 431646382 /nfs/dbraw/zinc/64/63/82/431646382.db2.gz PYXQABWXQDPLAP-UHFFFAOYSA-N 0 0 303.402 3.281 10 30 DGEERN C=CCN(CC=C)C(=O)NCCc1ccc(OC)cc1Cl ZINC000119387326 431686877 /nfs/dbraw/zinc/68/68/77/431686877.db2.gz GYSLPNUZOQMBTE-UHFFFAOYSA-N 0 0 308.809 3.275 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000119547497 431707104 /nfs/dbraw/zinc/70/71/04/431707104.db2.gz PVPLUPHWRHPIEP-HNAYVOBHSA-N 0 0 320.392 3.469 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000081551865 431791704 /nfs/dbraw/zinc/79/17/04/431791704.db2.gz PMSDDBJBDTVLAX-UHFFFAOYSA-N 0 0 306.325 3.168 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000081536258 431792211 /nfs/dbraw/zinc/79/22/11/431792211.db2.gz CYYIKVOLJQXVSD-UHFFFAOYSA-N 0 0 318.336 3.336 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000121583165 431802308 /nfs/dbraw/zinc/80/23/08/431802308.db2.gz PYMNZZPIOKENQT-INIZCTEOSA-N 0 0 301.386 3.175 10 30 DGEERN Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccco2)sc1SCC#N ZINC000121782781 431806046 /nfs/dbraw/zinc/80/60/46/431806046.db2.gz DIPRGJQBSDWJMR-UWVGGRQHSA-N 0 0 319.411 3.402 10 30 DGEERN O[C@@H](CN[C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000122030440 431811075 /nfs/dbraw/zinc/81/10/75/431811075.db2.gz ILNHDVYTASPPAJ-IONNQARKSA-N 0 0 323.183 3.081 10 30 DGEERN Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1C(F)(F)F ZINC000080976856 431777706 /nfs/dbraw/zinc/77/77/06/431777706.db2.gz FMADRGFXWUHISL-UHFFFAOYSA-N 0 0 307.275 3.476 10 30 DGEERN CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1cccc(Cl)c1 ZINC000081001444 431781612 /nfs/dbraw/zinc/78/16/12/431781612.db2.gz PZIHCXUHLCHVRP-CQSZACIVSA-N 0 0 301.777 3.431 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000081000836 431783586 /nfs/dbraw/zinc/78/35/86/431783586.db2.gz LYNDNQKRSJHIAU-UHFFFAOYSA-N 0 0 313.788 3.355 10 30 DGEERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(C#N)cn1C ZINC000081010960 431784502 /nfs/dbraw/zinc/78/45/02/431784502.db2.gz LQLBYJKCYVTQED-UHFFFAOYSA-N 0 0 311.429 3.185 10 30 DGEERN CCOc1ccccc1N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000121435888 431787464 /nfs/dbraw/zinc/78/74/64/431787464.db2.gz FMTHFLJOCSBTRY-AWEZNQCLSA-N 0 0 324.380 3.387 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(N)cc1Cl ZINC000037204845 431844853 /nfs/dbraw/zinc/84/48/53/431844853.db2.gz LDYCMZNQEMNSIG-CQSZACIVSA-N 0 0 311.838 3.069 10 30 DGEERN COc1cc(CN[C@@H]2CCC[C@H]2C#N)c(SC)cc1OC ZINC000086506750 431845624 /nfs/dbraw/zinc/84/56/24/431845624.db2.gz PICMAKMHPFIHNI-WCQYABFASA-N 0 0 306.431 3.208 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087193472 431851708 /nfs/dbraw/zinc/85/17/08/431851708.db2.gz FZZDADSQLGCACK-UHFFFAOYSA-N 0 0 316.279 3.104 10 30 DGEERN N#CC1(NC(=O)c2ccc(F)cc2Br)CCCC1 ZINC000040216362 431856711 /nfs/dbraw/zinc/85/67/11/431856711.db2.gz ZWTFORDWKYYAPM-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN Cc1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)sc2nccn12 ZINC000089565351 431870839 /nfs/dbraw/zinc/87/08/39/431870839.db2.gz BQOIRSJMGWXWPP-SNVBAGLBSA-N 0 0 310.382 3.067 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000123667525 431871503 /nfs/dbraw/zinc/87/15/03/431871503.db2.gz GMRBLELUKUDQPP-RDJZCZTQSA-N 0 0 317.429 3.210 10 30 DGEERN COc1ccc2nc(C(=O)C(C#N)c3ccccn3)ccc2c1 ZINC000093244520 431914284 /nfs/dbraw/zinc/91/42/84/431914284.db2.gz KNCLMZHCRYHWMT-CQSZACIVSA-N 0 0 303.321 3.128 10 30 DGEERN N#CC1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000094596077 431919435 /nfs/dbraw/zinc/91/94/35/431919435.db2.gz IZYLSHNZIPZVRX-UHFFFAOYSA-N 0 0 300.255 3.411 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C1CCOCC1 ZINC000124169183 431885421 /nfs/dbraw/zinc/88/54/21/431885421.db2.gz RYXRADGMAXEGLH-HNNXBMFYSA-N 0 0 314.429 3.358 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnn1C ZINC000046942393 431902727 /nfs/dbraw/zinc/90/27/27/431902727.db2.gz SFPXAYVFGGROEH-UHFFFAOYSA-N 0 0 324.837 3.033 10 30 DGEERN C[C@H]1CC(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000091855926 431905191 /nfs/dbraw/zinc/90/51/91/431905191.db2.gz ANJRFSSSHAHPGA-RYUDHWBXSA-N 0 0 303.406 3.257 10 30 DGEERN C=CCc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000091978927 431906419 /nfs/dbraw/zinc/90/64/19/431906419.db2.gz GAEUWHACYPGLOA-DLBZAZTESA-N 0 0 317.429 3.273 10 30 DGEERN CC(C)(O)[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000125602683 431930651 /nfs/dbraw/zinc/93/06/51/431930651.db2.gz PKIFZGUUHWNRHS-OAHLLOKOSA-N 0 0 315.417 3.255 10 30 DGEERN CC(C)c1csc([C@@H]2CCCN(c3cnc(C#N)cn3)C2)n1 ZINC000125612393 431931052 /nfs/dbraw/zinc/93/10/52/431931052.db2.gz WARBWZNXDLDJBA-GFCCVEGCSA-N 0 0 313.430 3.312 10 30 DGEERN C[C@@H](Cc1ccccc1Br)Nc1cnc(C#N)cn1 ZINC000127101179 431964764 /nfs/dbraw/zinc/96/47/64/431964764.db2.gz ZXBWYSQQGBXFGE-JTQLQIEISA-N 0 0 317.190 3.154 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000056337576 431987040 /nfs/dbraw/zinc/98/70/40/431987040.db2.gz LMEZJEDNBVCNCF-MRXNPFEDSA-N 0 0 322.364 3.316 10 30 DGEERN COc1cc(C#N)ccc1O[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000248128646 432269841 /nfs/dbraw/zinc/26/98/41/432269841.db2.gz IKOGRVQORCXJAO-JTQLQIEISA-N 0 0 301.346 3.387 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000173431919 432277482 /nfs/dbraw/zinc/27/74/82/432277482.db2.gz NZQGFDIUIUKWDE-OAHLLOKOSA-N 0 0 311.410 3.343 10 30 DGEERN C[C@H](c1ccccc1)N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173790049 432300519 /nfs/dbraw/zinc/30/05/19/432300519.db2.gz HQWRMNMKJAIRRM-OAHLLOKOSA-N 0 0 323.396 3.340 10 30 DGEERN N#Cc1cc(C#N)c(SCCCC(=O)c2ccccc2)nc1N ZINC000060582837 432000125 /nfs/dbraw/zinc/00/01/25/432000125.db2.gz NFFBUYWVBDNDGW-UHFFFAOYSA-N 0 0 322.393 3.162 10 30 DGEERN C=CCN(CCOC)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000191968178 432320199 /nfs/dbraw/zinc/32/01/99/432320199.db2.gz YEJIQGVDYOZIDR-UHFFFAOYSA-N 0 0 307.438 3.036 10 30 DGEERN CCc1oc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1C ZINC000183930343 432334151 /nfs/dbraw/zinc/33/41/51/432334151.db2.gz MUPQLOGTYMSBQY-IBGZPJMESA-N 0 0 308.381 3.332 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000184001952 432343737 /nfs/dbraw/zinc/34/37/37/432343737.db2.gz ZMKMBNWPKVCSRY-IBGZPJMESA-N 0 0 307.397 3.134 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cccc(C#N)c1 ZINC000174444508 432346524 /nfs/dbraw/zinc/34/65/24/432346524.db2.gz GYMQDNANCNYQJR-AWEZNQCLSA-N 0 0 309.369 3.285 10 30 DGEERN C=CCCCN(C)C(=O)c1cnc2c(C)cc(F)cc2c1O ZINC000152684215 432347882 /nfs/dbraw/zinc/34/78/82/432347882.db2.gz RPSACZGORFUHNW-UHFFFAOYSA-N 0 0 302.349 3.014 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CNC(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000248604813 432304891 /nfs/dbraw/zinc/30/48/91/432304891.db2.gz FDANRPPGVZQHLL-ZMSDIMECSA-N 0 0 320.477 3.202 10 30 DGEERN CC#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248617091 432307389 /nfs/dbraw/zinc/30/73/89/432307389.db2.gz JDBDKZMJCWBKMS-WMZOPIPTSA-N 0 0 320.383 3.020 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000173890186 432307453 /nfs/dbraw/zinc/30/74/53/432307453.db2.gz ODVHNEIPNPGDNL-UHFFFAOYSA-N 0 0 320.392 3.175 10 30 DGEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C ZINC000183660012 432315028 /nfs/dbraw/zinc/31/50/28/432315028.db2.gz BMDBXGPFVWPWCD-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccs1 ZINC000174819134 432372624 /nfs/dbraw/zinc/37/26/24/432372624.db2.gz ARFNGXLVQWQVNO-GFCCVEGCSA-N 0 0 315.398 3.059 10 30 DGEERN CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1nc(C)cs1 ZINC000153091887 432383580 /nfs/dbraw/zinc/38/35/80/432383580.db2.gz KVLWYWKLIILYFW-GFCCVEGCSA-N 0 0 315.398 3.144 10 30 DGEERN CN(C)c1ccc(/[N+]([O-])=C/c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000253394013 432391503 /nfs/dbraw/zinc/39/15/03/432391503.db2.gz MTCXTHYHCQKTTP-ZDLGFXPLSA-N 0 0 320.756 3.467 10 30 DGEERN N#Cc1ccccc1OCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153276644 432397255 /nfs/dbraw/zinc/39/72/55/432397255.db2.gz UEHADQOLDXRQQL-KRWDZBQOSA-N 0 0 324.355 3.270 10 30 DGEERN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000153316343 432399574 /nfs/dbraw/zinc/39/95/74/432399574.db2.gz PHPZLDPJRSBQFT-AWEZNQCLSA-N 0 0 316.364 3.235 10 30 DGEERN CN(C)/C=C/C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000253563867 432400172 /nfs/dbraw/zinc/40/01/72/432400172.db2.gz FWHQNYZSFYFTJX-FMIVXFBMSA-N 0 0 317.389 3.233 10 30 DGEERN Cc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000254482178 432403948 /nfs/dbraw/zinc/40/39/48/432403948.db2.gz DAKYSIUFYBFBFW-UHFFFAOYSA-N 0 0 322.817 3.269 10 30 DGEERN N#CC1(c2ccc(C(=O)N[C@H]3CCc4c3cccc4O)cc2)CC1 ZINC000271934200 432428767 /nfs/dbraw/zinc/42/87/67/432428767.db2.gz BNJXONWLITXQFJ-KRWDZBQOSA-N 0 0 318.376 3.365 10 30 DGEERN CCC1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000175438993 432436826 /nfs/dbraw/zinc/43/68/26/432436826.db2.gz XZCHYAWDZQJLLC-UHFFFAOYSA-N 0 0 303.381 3.465 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCO1 ZINC000193046755 432442713 /nfs/dbraw/zinc/44/27/13/432442713.db2.gz ZZPDDNCHGMPKHV-DOMZBBRYSA-N 0 0 301.390 3.177 10 30 DGEERN CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccnc(C#N)c1 ZINC000193048726 432443180 /nfs/dbraw/zinc/44/31/80/432443180.db2.gz GJKRJKNOHFMJJU-UHFFFAOYSA-N 0 0 305.381 3.454 10 30 DGEERN CC(C)[C@H]1C[C@@H]1C(=O)NCCSCc1ccccc1C#N ZINC000184967720 432450495 /nfs/dbraw/zinc/45/04/95/432450495.db2.gz OHLRLAYANHFCAX-CVEARBPZSA-N 0 0 302.443 3.200 10 30 DGEERN C=CCCCC(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000175620501 432453789 /nfs/dbraw/zinc/45/37/89/432453789.db2.gz FNZREXUXIHDHFH-PKNBQFBNSA-N 0 0 304.342 3.143 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)ccn1 ZINC000193141401 432454436 /nfs/dbraw/zinc/45/44/36/432454436.db2.gz OGSWUSXTJOLAIH-LPHOPBHVSA-N 0 0 319.408 3.485 10 30 DGEERN CC(C)c1noc2ncc(C(=O)Nc3ccccc3C#N)cc21 ZINC000192761210 432411888 /nfs/dbraw/zinc/41/18/88/432411888.db2.gz NXCBMMSHWXOPGL-UHFFFAOYSA-N 0 0 306.325 3.470 10 30 DGEERN Cc1nc(C(=O)Nc2ccc(C#N)cn2)c(-c2ccccc2)o1 ZINC000184682663 432420777 /nfs/dbraw/zinc/42/07/77/432420777.db2.gz QXSYRFBDFXOILV-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153618126 432425857 /nfs/dbraw/zinc/42/58/57/432425857.db2.gz SODWCORCCXGWEV-MRXNPFEDSA-N 0 0 324.340 3.073 10 30 DGEERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193463793 432476192 /nfs/dbraw/zinc/47/61/92/432476192.db2.gz ACRYBIRFXOSKSB-PIGZYNQJSA-N 0 0 309.344 3.146 10 30 DGEERN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193463828 432476315 /nfs/dbraw/zinc/47/63/15/432476315.db2.gz ACRYBIRFXOSKSB-GTNSWQLSSA-N 0 0 309.344 3.146 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154339837 432493178 /nfs/dbraw/zinc/49/31/78/432493178.db2.gz BHBRPBNDOZWRQM-JKSUJKDBSA-N 0 0 303.402 3.463 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000185365235 432494787 /nfs/dbraw/zinc/49/47/87/432494787.db2.gz NGVCKJYKKPDUNI-CVEARBPZSA-N 0 0 317.429 3.427 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)C#Cc1ccccc1 ZINC000176199017 432500346 /nfs/dbraw/zinc/50/03/46/432500346.db2.gz GNOKFBOWXIFPCK-LPHOPBHVSA-N 0 0 305.377 3.027 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)C1 ZINC000154607602 432510085 /nfs/dbraw/zinc/51/00/85/432510085.db2.gz KUDOOSHASVTICR-STQMWFEESA-N 0 0 324.421 3.115 10 30 DGEERN N#Cc1ccc(COc2cc(Cl)ccc2C(N)=O)c(F)c1 ZINC000194417512 432548949 /nfs/dbraw/zinc/54/89/49/432548949.db2.gz SDPZBDPKYWWSFO-UHFFFAOYSA-N 0 0 304.708 3.029 10 30 DGEERN CC#CCCCC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000185967220 432550439 /nfs/dbraw/zinc/55/04/39/432550439.db2.gz OQQSXSYHWJSCMJ-QGZVFWFLSA-N 0 0 303.377 3.228 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000186052797 432556711 /nfs/dbraw/zinc/55/67/11/432556711.db2.gz OOHMPIRUGYWMHS-AEFFLSMTSA-N 0 0 301.430 3.449 10 30 DGEERN CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000273180037 432561843 /nfs/dbraw/zinc/56/18/43/432561843.db2.gz AVDMQFPOLXPPRU-QGZVFWFLSA-N 0 0 312.394 3.400 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000185607767 432515437 /nfs/dbraw/zinc/51/54/37/432515437.db2.gz FRLQQPPTGACTKK-DOTOQJQBSA-N 0 0 317.429 3.222 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000185789127 432533572 /nfs/dbraw/zinc/53/35/72/432533572.db2.gz HOTWCNXPMROCBP-IUODEOHRSA-N 0 0 320.820 3.164 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000185805840 432535449 /nfs/dbraw/zinc/53/54/49/432535449.db2.gz VLHKFNMGHNUNMM-SJLPKXTDSA-N 0 0 301.430 3.449 10 30 DGEERN C=CC[C@@H](CO)NC(=O)CCCCc1nc2ccccc2s1 ZINC000185928684 432545926 /nfs/dbraw/zinc/54/59/26/432545926.db2.gz HFNLBDIEVLJLIM-ZDUSSCGKSA-N 0 0 318.442 3.062 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1nc(C)ncc1Cl ZINC000155276321 432547626 /nfs/dbraw/zinc/54/76/26/432547626.db2.gz JQBSDISRIUZECC-UHFFFAOYSA-N 0 0 319.767 3.406 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000185943452 432547700 /nfs/dbraw/zinc/54/77/00/432547700.db2.gz MKGRNVIOCDTXCQ-ZWNOBZJWSA-N 0 0 316.228 3.225 10 30 DGEERN C=C(Br)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264095755 432614183 /nfs/dbraw/zinc/61/41/83/432614183.db2.gz GTXAKIMGFMIENX-UHFFFAOYSA-N 0 0 321.218 3.310 10 30 DGEERN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1c(F)cc(C#N)cc1F)N2 ZINC000195268372 432616095 /nfs/dbraw/zinc/61/60/95/432616095.db2.gz MQTCZWLNIJUAED-INIZCTEOSA-N 0 0 313.307 3.341 10 30 DGEERN N#Cc1ccc(CNC2(c3noc(C4CC4)n3)CCCC2)s1 ZINC000176959607 432568879 /nfs/dbraw/zinc/56/88/79/432568879.db2.gz MTWWNPPDPCWPSZ-UHFFFAOYSA-N 0 0 314.414 3.439 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000176955872 432569969 /nfs/dbraw/zinc/56/99/69/432569969.db2.gz YUENNWPWXPOQNW-ZDUSSCGKSA-N 0 0 323.396 3.274 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000273334992 432586097 /nfs/dbraw/zinc/58/60/97/432586097.db2.gz CWLMPPUORJDVTA-FPAJZGIOSA-N 0 0 301.346 3.053 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186370405 432588035 /nfs/dbraw/zinc/58/80/35/432588035.db2.gz SKRCFJGIANBIML-SECBINFHSA-N 0 0 307.699 3.026 10 30 DGEERN N#Cc1ccc(CN(CC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000194965032 432590268 /nfs/dbraw/zinc/59/02/68/432590268.db2.gz XDTUIRZFIVQIML-UHFFFAOYSA-N 0 0 323.371 3.300 10 30 DGEERN CC[C@@H](CC#N)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000186432740 432594749 /nfs/dbraw/zinc/59/47/49/432594749.db2.gz GUUFAUNIMSCRNB-VIFPVBQESA-N 0 0 321.229 3.272 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000186463867 432597636 /nfs/dbraw/zinc/59/76/36/432597636.db2.gz AAPPOGXASOOFIP-ZDUSSCGKSA-N 0 0 316.323 3.240 10 30 DGEERN C[C@H](C1CC1)n1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cn1 ZINC000186487938 432600168 /nfs/dbraw/zinc/60/01/68/432600168.db2.gz ZYTZTYMMPPOCTB-OLZOCXBDSA-N 0 0 324.384 3.132 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](CC)c1ccc(Cl)s1 ZINC000273448453 432600525 /nfs/dbraw/zinc/60/05/25/432600525.db2.gz IGHYGPXLKPYBBF-NXEZZACHSA-N 0 0 302.827 3.089 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cn(-c2ccccc2)nc1C ZINC000264002537 432602116 /nfs/dbraw/zinc/60/21/16/432602116.db2.gz RPNAZJHONPSINO-UHFFFAOYSA-N 0 0 323.318 3.371 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCCC1(C)C ZINC000157324885 432619778 /nfs/dbraw/zinc/61/97/78/432619778.db2.gz MXBFCHXNDOCZIR-CJNGLKHVSA-N 0 0 300.402 3.411 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1sccc1C#N ZINC000066709817 288387986 /nfs/dbraw/zinc/38/79/86/288387986.db2.gz GCHCFBQBFPZJOJ-IUODEOHRSA-N 0 0 312.394 3.222 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000274340590 432653697 /nfs/dbraw/zinc/65/36/97/432653697.db2.gz MEELZCLZYOCQMW-VBQJREDUSA-N 0 0 305.418 3.490 10 30 DGEERN Cc1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000187263264 432653860 /nfs/dbraw/zinc/65/38/60/432653860.db2.gz RYPXUCANYGRNLB-FQEVSTJZSA-N 0 0 320.440 3.081 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000274398511 432663279 /nfs/dbraw/zinc/66/32/79/432663279.db2.gz PUZYBFZDBHUFJW-KGLIPLIRSA-N 0 0 321.442 3.151 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)Cc2cccc(CC)c2)cc1 ZINC000159775315 432695177 /nfs/dbraw/zinc/69/51/77/432695177.db2.gz IAUCTMOYKVTSQK-UHFFFAOYSA-N 0 0 322.408 3.346 10 30 DGEERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188009127 432698242 /nfs/dbraw/zinc/69/82/42/432698242.db2.gz YWLKLBQLNIWLBZ-UHFFFAOYSA-N 0 0 321.336 3.445 10 30 DGEERN C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000188059167 432701899 /nfs/dbraw/zinc/70/18/99/432701899.db2.gz RDJCPQLYNODKHK-MRXNPFEDSA-N 0 0 324.384 3.181 10 30 DGEERN C=CCCCN(C)C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000265534716 432707992 /nfs/dbraw/zinc/70/79/92/432707992.db2.gz RMSDGJPPCOYGMU-UHFFFAOYSA-N 0 0 303.402 3.473 10 30 DGEERN C=CC[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000188264152 432715022 /nfs/dbraw/zinc/71/50/22/432715022.db2.gz KVHQZHHUTCTOST-IBGZPJMESA-N 0 0 320.392 3.413 10 30 DGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160468186 432723746 /nfs/dbraw/zinc/72/37/46/432723746.db2.gz DHKIOYDFNAFPDQ-NEPJUHHUSA-N 0 0 311.307 3.342 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000187682640 432676900 /nfs/dbraw/zinc/67/69/00/432676900.db2.gz XSCSXFWDYBBRDY-OBJOEFQTSA-N 0 0 307.356 3.189 10 30 DGEERN CCOc1ccc(/C=C(\Br)C(=O)[C@]2(C)CO2)cc1 ZINC000224493183 432682805 /nfs/dbraw/zinc/68/28/05/432682805.db2.gz TVVOMIKSGFPHKQ-UNJUUPHPSA-N 0 0 311.175 3.179 10 30 DGEERN COc1cc(Br)ccc1CNCc1ccc(C#N)o1 ZINC000189185450 432768598 /nfs/dbraw/zinc/76/85/98/432768598.db2.gz WKHFJXWUWJTVTB-UHFFFAOYSA-N 0 0 321.174 3.212 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000188479818 432727356 /nfs/dbraw/zinc/72/73/56/432727356.db2.gz BRVYTBCCOSFCPR-HOCLYGCPSA-N 0 0 303.402 3.232 10 30 DGEERN N#Cc1ccc(C2(C(=O)NC[C@H]3Cc4ccccc43)CC2)cc1 ZINC000188489502 432728834 /nfs/dbraw/zinc/72/88/34/432728834.db2.gz NZRFOJRABSHNKC-MRXNPFEDSA-N 0 0 302.377 3.046 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000188667835 432736973 /nfs/dbraw/zinc/73/69/73/432736973.db2.gz DVFRSDUGZJMIPD-HHXXYDBFSA-N 0 0 317.429 3.204 10 30 DGEERN C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)C1CCCC1 ZINC000188668074 432737286 /nfs/dbraw/zinc/73/72/86/432737286.db2.gz GTKBNUGUOAUDQV-CYBMUJFWSA-N 0 0 316.405 3.464 10 30 DGEERN C=CCCCN(C)C(=O)c1nc(CC)n(-c2ccccc2F)n1 ZINC000265921921 432746206 /nfs/dbraw/zinc/74/62/06/432746206.db2.gz CQCQUFXJPKRRIB-UHFFFAOYSA-N 0 0 316.380 3.007 10 30 DGEERN C=CCc1cc(CN2CCO[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245514548 432839220 /nfs/dbraw/zinc/83/92/20/432839220.db2.gz GAEUWHACYPGLOA-SJORKVTESA-N 0 0 317.429 3.273 10 30 DGEERN C=C(C)CC[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000277274817 432833668 /nfs/dbraw/zinc/83/36/68/432833668.db2.gz RXBVFXHCHIEMHG-UHFFFAOYSA-N 0 0 308.447 3.465 10 30 DGEERN CCN(CC)C(=O)[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000178923942 432787877 /nfs/dbraw/zinc/78/78/77/432787877.db2.gz LMNJYRZNGHUWTF-QGZVFWFLSA-N 0 0 318.848 3.024 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000276261648 432789808 /nfs/dbraw/zinc/78/98/08/432789808.db2.gz PZJCHOJITZIFNB-KRWDZBQOSA-N 0 0 322.474 3.209 10 30 DGEERN CCCc1nc(CSCc2ccc(OC)c(C#N)c2)no1 ZINC000161660601 432790997 /nfs/dbraw/zinc/79/09/97/432790997.db2.gz NVAHOUPRGGLGAG-UHFFFAOYSA-N 0 0 303.387 3.336 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CCO)COC ZINC000276363809 432801607 /nfs/dbraw/zinc/80/16/07/432801607.db2.gz BCNDKIVMYHIHOT-OAHLLOKOSA-N 0 0 320.433 3.057 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccncc2OC)cc1 ZINC000189600369 432803784 /nfs/dbraw/zinc/80/37/84/432803784.db2.gz CHDPYCZODDAQPB-ZDUSSCGKSA-N 0 0 312.369 3.146 10 30 DGEERN Cc1ccc(NCc2ccc(Cn3cccn3)cc2)nc1C#N ZINC000189637743 432806788 /nfs/dbraw/zinc/80/67/88/432806788.db2.gz VYBDSKVHPSOGNN-UHFFFAOYSA-N 0 0 303.369 3.119 10 30 DGEERN Cc1ccc(/C=C/CC(=O)NC2(C#N)CCSCC2)cc1 ZINC000162150131 432814360 /nfs/dbraw/zinc/81/43/60/432814360.db2.gz GACXPVYLLBZMIA-NSCUHMNNSA-N 0 0 300.427 3.304 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000189733106 432815168 /nfs/dbraw/zinc/81/51/68/432815168.db2.gz WVYALBKIHCOTTK-INIZCTEOSA-N 0 0 306.381 3.047 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000288023386 432883352 /nfs/dbraw/zinc/88/33/52/432883352.db2.gz WFEDYIIGVOEXCR-KRWDZBQOSA-N 0 0 301.336 3.361 10 30 DGEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC000330001353 432887631 /nfs/dbraw/zinc/88/76/31/432887631.db2.gz AEUQVQYMWRJVND-YPMHNXCESA-N 0 0 300.362 3.156 10 30 DGEERN C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330014912 432888751 /nfs/dbraw/zinc/88/87/51/432888751.db2.gz BFWKXTXHRTYHDL-HLPPOEQASA-N 0 0 305.422 3.281 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCSC1 ZINC000288249733 432890240 /nfs/dbraw/zinc/89/02/40/432890240.db2.gz STHHXEKNDBDLFY-DLBZAZTESA-N 0 0 316.470 3.063 10 30 DGEERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000330037677 432890363 /nfs/dbraw/zinc/89/03/63/432890363.db2.gz ZKBRSWUKTCCBKA-VXGBXAGGSA-N 0 0 305.378 3.334 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC000277367739 432842404 /nfs/dbraw/zinc/84/24/04/432842404.db2.gz GFTRUWLURUXXOY-UHFFFAOYSA-N 0 0 308.425 3.061 10 30 DGEERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000245613774 432850664 /nfs/dbraw/zinc/85/06/64/432850664.db2.gz LONJWUQRCVSTTI-IXPVHAAZSA-N 0 0 304.777 3.026 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000277484991 432855070 /nfs/dbraw/zinc/85/50/70/432855070.db2.gz QQZPZCFQZYZSFF-UHFFFAOYSA-N 0 0 305.381 3.090 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(CC(=O)N(C)C2CCCCC2)no1 ZINC000289150297 432927393 /nfs/dbraw/zinc/92/73/93/432927393.db2.gz SWRRETJPLMOCIR-CYBMUJFWSA-N 0 0 305.422 3.473 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@H]1CCOC1(C)C)c1ccc(F)c(F)c1 ZINC000296847517 432931528 /nfs/dbraw/zinc/93/15/28/432931528.db2.gz MBWCQGAOFMRVHL-LSDHHAIUSA-N 0 0 324.371 3.449 10 30 DGEERN C=CC[C@@H](C(=O)NCC1(CO)CC2(CCC2)C1)c1ccccc1 ZINC000279110864 432935267 /nfs/dbraw/zinc/93/52/67/432935267.db2.gz KSGYZDVRWXJRPP-QGZVFWFLSA-N 0 0 313.441 3.405 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC(OCC(C)C)CC2)cc1 ZINC000296978487 432944797 /nfs/dbraw/zinc/94/47/97/432944797.db2.gz SUCFODFVJOEYHJ-UHFFFAOYSA-N 0 0 314.429 3.015 10 30 DGEERN C=C(C)C[C@H](C)c1nc(Cc2nncn2-c2ccccc2)no1 ZINC000289332981 432946235 /nfs/dbraw/zinc/94/62/35/432946235.db2.gz ZUPSBZBRTGZEJA-ZDUSSCGKSA-N 0 0 309.373 3.311 10 30 DGEERN CN(C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CCNC1=O ZINC000330192147 432896576 /nfs/dbraw/zinc/89/65/76/432896576.db2.gz XOZWOFDKNAUCJV-ARFHVFGLSA-N 0 0 315.417 3.287 10 30 DGEERN Cc1cn2cc(NC(=O)c3snnc3C(C)(C)C)ccc2n1 ZINC000330233028 432898379 /nfs/dbraw/zinc/89/83/79/432898379.db2.gz XRBKQRBJMUXYEH-UHFFFAOYSA-N 0 0 315.402 3.428 10 30 DGEERN C[C@H](CC1CC1)NC(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000330271958 432902215 /nfs/dbraw/zinc/90/22/15/432902215.db2.gz WVVYUMKLJRBUFY-OCCSQVGLSA-N 0 0 321.396 3.167 10 30 DGEERN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273266 432902453 /nfs/dbraw/zinc/90/24/53/432902453.db2.gz YXOKGTWRWOZXRM-VQISRLSMSA-N 0 0 308.809 3.474 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2CCOC2(C)C)c1 ZINC000296541356 432920698 /nfs/dbraw/zinc/92/06/98/432920698.db2.gz QJKDGPVTHILGBP-HNNXBMFYSA-N 0 0 304.390 3.331 10 30 DGEERN C=CCCCNC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000279471134 432974039 /nfs/dbraw/zinc/97/40/39/432974039.db2.gz GFIILVDYLXQCTD-CJNGLKHVSA-N 0 0 306.381 3.263 10 30 DGEERN C#CC[C@@H](Nc1nc(C(=O)OCC)cs1)c1ccccc1 ZINC000297623422 433000297 /nfs/dbraw/zinc/00/02/97/433000297.db2.gz WOCHKUBTURSXDM-CYBMUJFWSA-N 0 0 300.383 3.496 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000297852867 433024249 /nfs/dbraw/zinc/02/42/49/433024249.db2.gz MNSYHZAVUTWPKS-CYBMUJFWSA-N 0 0 322.836 3.284 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000297943467 433034169 /nfs/dbraw/zinc/03/41/69/433034169.db2.gz RNVVHUKNZJWWPM-QGZVFWFLSA-N 0 0 314.429 3.083 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O ZINC000419943329 433082892 /nfs/dbraw/zinc/08/28/92/433082892.db2.gz PNIMSALLMHFULO-JKSUJKDBSA-N 0 0 311.385 3.308 10 30 DGEERN C=C(C)CCN1C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C1=O ZINC000419989632 433096558 /nfs/dbraw/zinc/09/65/58/433096558.db2.gz GZGKXBGWSZTTBG-DOTOQJQBSA-N 0 0 312.413 3.383 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000280651075 433121668 /nfs/dbraw/zinc/12/16/68/433121668.db2.gz KBUCDJQZCOOUCS-WBMJQRKESA-N 0 0 315.373 3.239 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000280651067 433123582 /nfs/dbraw/zinc/12/35/82/433123582.db2.gz KBUCDJQZCOOUCS-LRDDRELGSA-N 0 0 315.373 3.239 10 30 DGEERN C=CCNc1nnc(SCC#Cc2ccccc2Cl)s1 ZINC000446984506 433139490 /nfs/dbraw/zinc/13/94/90/433139490.db2.gz ISAHYVYHMCNJTE-UHFFFAOYSA-N 0 0 321.858 3.933 10 30 DGEERN C=CCC1(C(=O)N2CC(c3ccccc3F)C2)CCOCC1 ZINC000425306778 433154654 /nfs/dbraw/zinc/15/46/54/433154654.db2.gz CIURVJMFRWUYIF-UHFFFAOYSA-N 0 0 303.377 3.124 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000333768184 433100929 /nfs/dbraw/zinc/10/09/29/433100929.db2.gz QSSIDUXCWZQLIR-ZYHUDNBSSA-N 0 0 306.431 3.287 10 30 DGEERN C=CCCCN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000290607074 433114467 /nfs/dbraw/zinc/11/44/67/433114467.db2.gz WULMGBJTRGVBNE-UHFFFAOYSA-N 0 0 323.746 3.288 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)NCc1nccn1CC ZINC000298502817 433156443 /nfs/dbraw/zinc/15/64/43/433156443.db2.gz RMKQQYKYSXCAIV-UHFFFAOYSA-N 0 0 312.417 3.191 10 30 DGEERN C=C[C@](C)(O)CC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000425329232 433167300 /nfs/dbraw/zinc/16/73/00/433167300.db2.gz QGCFXLVGARIGNP-WMZOPIPTSA-N 0 0 307.409 3.178 10 30 DGEERN CN(CC1(O)CCCCCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000374243150 433180938 /nfs/dbraw/zinc/18/09/38/433180938.db2.gz GQCLSCUJKCHPRX-UHFFFAOYSA-N 0 0 321.465 3.043 10 30 DGEERN C=CCn1c(N2CCC[C@@H](C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453434897 433183403 /nfs/dbraw/zinc/18/34/03/433183403.db2.gz FWUKNCFHTXRCPT-PBHICJAKSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453441347 433186298 /nfs/dbraw/zinc/18/62/98/433186298.db2.gz OEYVCKWFOVXQSF-CKEIUWERSA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453441270 433187607 /nfs/dbraw/zinc/18/76/07/433187607.db2.gz NVJHAIVNOYVFAX-JKIFEVAISA-N 0 0 304.438 3.115 10 30 DGEERN C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453452853 433192946 /nfs/dbraw/zinc/19/29/46/433192946.db2.gz ULZTTWHSEIWKPO-LJQANCHMSA-N 0 0 324.428 3.138 10 30 DGEERN CC(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1C ZINC000447434084 433201587 /nfs/dbraw/zinc/20/15/87/433201587.db2.gz DPFLLYCEYVTTMQ-KRWDZBQOSA-N 0 0 310.328 3.331 10 30 DGEERN C=C(C)Cn1c(N2CCC(C)(C)C2)nnc1[C@]1(C)CCCO1 ZINC000453465901 433202011 /nfs/dbraw/zinc/20/20/11/433202011.db2.gz NLBKENRQDGTWHC-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCN(CC=C)c1nnc([C@@]2(C)CCCO2)n1CC(C)C ZINC000453480897 433205100 /nfs/dbraw/zinc/20/51/00/433205100.db2.gz OARLWTAIGIEPGO-QGZVFWFLSA-N 0 0 304.438 3.138 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C)nc(C(C)C)n2)CCOCC1 ZINC000425442714 433247205 /nfs/dbraw/zinc/24/72/05/433247205.db2.gz IHIMBXXMTVDSJK-UHFFFAOYSA-N 0 0 303.406 3.220 10 30 DGEERN C=CCOCCCC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000374681648 433258358 /nfs/dbraw/zinc/25/83/58/433258358.db2.gz WPBUFBPVSDBYAP-UHFFFAOYSA-N 0 0 302.418 3.079 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000281091116 433263633 /nfs/dbraw/zinc/26/36/33/433263633.db2.gz UNOVHKWNIPTMAA-LSDHHAIUSA-N 0 0 324.371 3.405 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1cnn(CC(C)C)c1C(C)C ZINC000447890229 433316043 /nfs/dbraw/zinc/31/60/43/433316043.db2.gz VWVIRJJUWZGZPS-UHFFFAOYSA-N 0 0 320.481 3.499 10 30 DGEERN Cc1cc([C@@H](C#N)C(=O)c2cn(C)c3ccc(F)cc23)nc(C)n1 ZINC000361660687 433324242 /nfs/dbraw/zinc/32/42/42/433324242.db2.gz CIUFVBDEQSLWKY-CQSZACIVSA-N 0 0 322.343 3.214 10 30 DGEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000374765452 433270893 /nfs/dbraw/zinc/27/08/93/433270893.db2.gz VFOQVYSZBBQLIL-OAHLLOKOSA-N 0 0 319.449 3.204 10 30 DGEERN C=C(CC)CNC(=O)NCc1ccccc1OC(F)(F)F ZINC000454149032 433291765 /nfs/dbraw/zinc/29/17/65/433291765.db2.gz BGTQCSSBBNWKPI-UHFFFAOYSA-N 0 0 302.296 3.351 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000425561461 433301487 /nfs/dbraw/zinc/30/14/87/433301487.db2.gz BMTMMUDUUBOMIQ-HOCLYGCPSA-N 0 0 322.836 3.115 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1OC ZINC000281496562 433305587 /nfs/dbraw/zinc/30/55/87/433305587.db2.gz QLHHZAJUEFPLKL-VBQJREDUSA-N 0 0 318.417 3.037 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000281506847 433306603 /nfs/dbraw/zinc/30/66/03/433306603.db2.gz XDFRLOHYOSFTOZ-WBVHZDCISA-N 0 0 318.417 3.133 10 30 DGEERN N#CC1(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CCC1 ZINC000299294112 433358827 /nfs/dbraw/zinc/35/88/27/433358827.db2.gz ATSMICHRNJWRRV-UHFFFAOYSA-N 0 0 310.397 3.091 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000425853379 433362659 /nfs/dbraw/zinc/36/26/59/433362659.db2.gz IWBJLEYMXYPJGM-JONQDZQNSA-N 0 0 318.417 3.353 10 30 DGEERN C=CCOc1ccccc1CNC(=O)C[C@@H](O)CC(C)(C)C ZINC000291848240 433373329 /nfs/dbraw/zinc/37/33/29/433373329.db2.gz FWYZKOQSVYUAMN-OAHLLOKOSA-N 0 0 305.418 3.055 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCC1CC1 ZINC000425657078 433337226 /nfs/dbraw/zinc/33/72/26/433337226.db2.gz UTUWAKQMJCEDAF-HOCLYGCPSA-N 0 0 316.401 3.188 10 30 DGEERN C=CCCCNC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000447981348 433338005 /nfs/dbraw/zinc/33/80/05/433338005.db2.gz ZVWFEBJOAMPRJQ-UHFFFAOYSA-N 0 0 316.323 3.350 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000413988466 433340413 /nfs/dbraw/zinc/34/04/13/433340413.db2.gz OZSFFNPRDLEYRP-PMACEKPBSA-N 0 0 323.436 3.284 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)n1nc(C)cc1C ZINC000413991025 433341231 /nfs/dbraw/zinc/34/12/31/433341231.db2.gz UOHFTBQNQOXQTB-SJLPKXTDSA-N 0 0 311.429 3.365 10 30 DGEERN C=CCCCNC(=O)NC[C@H]1CCCc2cc(OC)ccc21 ZINC000447994489 433342425 /nfs/dbraw/zinc/34/24/25/433342425.db2.gz WRFZANINMCZCLU-OAHLLOKOSA-N 0 0 302.418 3.381 10 30 DGEERN C=C[C@@](C)(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000425963160 433383431 /nfs/dbraw/zinc/38/34/31/433383431.db2.gz BMJXSSFJKAZBIC-KRWDZBQOSA-N 0 0 300.358 3.495 10 30 DGEERN C=CCSCCNC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000454426635 433421267 /nfs/dbraw/zinc/42/12/67/433421267.db2.gz JKMJGYFQIGZTSV-HNNXBMFYSA-N 0 0 308.422 3.422 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000454422194 433422767 /nfs/dbraw/zinc/42/27/67/433422767.db2.gz FZAFHLQEVHGVFI-QWRGUYRKSA-N 0 0 310.385 3.278 10 30 DGEERN COc1ccccc1CCN(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301155602 433435466 /nfs/dbraw/zinc/43/54/66/433435466.db2.gz ABDLCSRGEVFOSB-UHFFFAOYSA-N 0 0 311.341 3.154 10 30 DGEERN Cc1cc(C)n(-c2cncc(N[C@@H](C)c3ccc(C#N)cc3)n2)n1 ZINC000301172447 433439586 /nfs/dbraw/zinc/43/95/86/433439586.db2.gz KKXUKLJHZXGBHF-AWEZNQCLSA-N 0 0 318.384 3.324 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301177146 433444007 /nfs/dbraw/zinc/44/40/07/433444007.db2.gz GKCIQFZCWSCMEU-CQSZACIVSA-N 0 0 308.341 3.157 10 30 DGEERN CC(C)(C#N)CCCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375467720 433470466 /nfs/dbraw/zinc/47/04/66/433470466.db2.gz ZARUGNNKVSBKEZ-AWEZNQCLSA-N 0 0 302.422 3.456 10 30 DGEERN C=CCN(Cc1nn(C)c(C)c1Cl)Cc1cccc(C#N)c1 ZINC000421318576 433470863 /nfs/dbraw/zinc/47/08/63/433470863.db2.gz GJRXBYLTSSIBHB-UHFFFAOYSA-N 0 0 314.820 3.442 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282176638 433519809 /nfs/dbraw/zinc/51/98/09/433519809.db2.gz OEURHIXGRRZCEG-GJZGRUSLSA-N 0 0 316.449 3.073 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NCCc1cccc2[nH]ccc21 ZINC000282204713 433529186 /nfs/dbraw/zinc/52/91/86/433529186.db2.gz SMJRHIIHERUZES-GOSISDBHSA-N 0 0 300.402 3.055 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000455151384 433533272 /nfs/dbraw/zinc/53/32/72/433533272.db2.gz XTROOXBBOBSFQC-ZDUSSCGKSA-N 0 0 304.438 3.886 10 30 DGEERN C=CCN(CCC#N)C(=O)COc1ccc(/C=C/C)cc1OC ZINC000292283940 433534059 /nfs/dbraw/zinc/53/40/59/433534059.db2.gz HVPGRONRSCXRAY-QPJJXVBHSA-N 0 0 314.385 3.035 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000448703529 433502933 /nfs/dbraw/zinc/50/29/33/433502933.db2.gz BPQGMWWJVIPBBS-INIZCTEOSA-N 0 0 308.385 3.049 10 30 DGEERN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C#N)n2C)C2CC2)o1 ZINC000448701544 433503332 /nfs/dbraw/zinc/50/33/32/433503332.db2.gz PHMJWGCIWIKBPF-BLLLJJGKSA-N 0 0 323.396 3.418 10 30 DGEERN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C#N)n2C)C2CC2)o1 ZINC000448701545 433504002 /nfs/dbraw/zinc/50/40/02/433504002.db2.gz PHMJWGCIWIKBPF-LRDDRELGSA-N 0 0 323.396 3.418 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000426687730 433559099 /nfs/dbraw/zinc/55/90/99/433559099.db2.gz RUNZOMOIXBJGGG-SFHVURJKSA-N 0 0 311.381 3.475 10 30 DGEERN C=CCOc1ccccc1CN1C(=O)[C@H](CC(C)C)N(C)C1=O ZINC000292573091 433581319 /nfs/dbraw/zinc/58/13/19/433581319.db2.gz UTOUFHHCWCDIJQ-HNNXBMFYSA-N 0 0 316.401 3.060 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000362214724 433589344 /nfs/dbraw/zinc/58/93/44/433589344.db2.gz LYGNYQWYVICWSB-UKRRQHHQSA-N 0 0 318.442 3.129 10 30 DGEERN Cc1nc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)cc1C#N ZINC000292731923 433589876 /nfs/dbraw/zinc/58/98/76/433589876.db2.gz UPBVNUVKURADQQ-CZUORRHYSA-N 0 0 305.809 3.047 10 30 DGEERN CCCN(C(=O)c1ccc(C#N)n1C)[C@H]1CCc2ccccc2C1 ZINC000448782958 433546550 /nfs/dbraw/zinc/54/65/50/433546550.db2.gz FUIJAOJXSODZDE-KRWDZBQOSA-N 0 0 321.424 3.306 10 30 DGEERN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167027 292830466 /nfs/dbraw/zinc/83/04/66/292830466.db2.gz IPIYOTDKTMVNIL-FZMZJTMJSA-N 0 0 314.414 3.083 10 30 DGEERN CC(C)(C)C(=O)N1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000301600822 433629126 /nfs/dbraw/zinc/62/91/26/433629126.db2.gz ZCKHHVNMXZADDZ-UHFFFAOYSA-N 0 0 319.836 3.296 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000362301732 433631996 /nfs/dbraw/zinc/63/19/96/433631996.db2.gz UEMWFBQQAKORJX-DOTOQJQBSA-N 0 0 302.418 3.192 10 30 DGEERN Cc1ccn(-c2ccccc2CNc2nc(C)ccc2C#N)n1 ZINC000161916467 292843416 /nfs/dbraw/zinc/84/34/16/292843416.db2.gz JCLPMLVYFKMGMW-UHFFFAOYSA-N 0 0 303.369 3.368 10 30 DGEERN COc1ccc(CNc2cc(C)ccc2NC(C)=O)cc1C#N ZINC000163127435 292864469 /nfs/dbraw/zinc/86/44/69/292864469.db2.gz SVUPZUJDFWANOM-UHFFFAOYSA-N 0 0 309.369 3.446 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCCc1nc(C)cs1 ZINC000282975547 433644954 /nfs/dbraw/zinc/64/49/54/433644954.db2.gz IWCVRTIBHZJVBN-UHFFFAOYSA-N 0 0 306.353 3.351 10 30 DGEERN C#CCCCCC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282458894 433608429 /nfs/dbraw/zinc/60/84/29/433608429.db2.gz VYOYBDMOQRYZGL-MRXNPFEDSA-N 0 0 313.445 3.119 10 30 DGEERN COc1ccc(OC)c([C@@H]2CCCN2c2ccc(C#N)nc2)c1 ZINC000301565369 433614793 /nfs/dbraw/zinc/61/47/93/433614793.db2.gz JMHWJKWCBBXOMI-KRWDZBQOSA-N 0 0 309.369 3.312 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)Nc1nnc(OC)s1 ZINC000282649605 433623494 /nfs/dbraw/zinc/62/34/94/433623494.db2.gz HTNMBMCULQUFHV-UHFFFAOYSA-N 0 0 318.402 3.157 10 30 DGEERN CC#CC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000283229808 433692438 /nfs/dbraw/zinc/69/24/38/433692438.db2.gz OSTOPRBMSBPXTD-UHFFFAOYSA-N 0 0 320.108 3.107 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCc2c1cccc2Br ZINC000421653817 433663722 /nfs/dbraw/zinc/66/37/22/433663722.db2.gz AAIQZMXMDXCEES-LLVKDONJSA-N 0 0 324.218 3.319 10 30 DGEERN Cc1cnc([C@H](NC(=O)N2CCC(C)(C#N)CC2)C2CC2)s1 ZINC000357160854 292950772 /nfs/dbraw/zinc/95/07/72/292950772.db2.gz VFABSFOSLJSCJP-CYBMUJFWSA-N 0 0 318.446 3.238 10 30 DGEERN C=CCn1c(COCC)nnc1N1Cc2ccc(Cl)cc2C1 ZINC000414520647 433684644 /nfs/dbraw/zinc/68/46/44/433684644.db2.gz VKLKOGQOOWQBGH-UHFFFAOYSA-N 0 0 318.808 3.174 10 30 DGEERN C=CCC1(CNC(=O)[C@@H](C)Oc2cccc(CO)c2)CCCC1 ZINC000456484199 433685512 /nfs/dbraw/zinc/68/55/12/433685512.db2.gz IUYCCLCCHOKGOZ-OAHLLOKOSA-N 0 0 317.429 3.199 10 30 DGEERN C=CCn1c(N2C[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(C)CCCO1 ZINC000414524766 433687172 /nfs/dbraw/zinc/68/71/72/433687172.db2.gz HJESZENYYQLPTJ-DAYGRLMNSA-N 0 0 316.449 3.116 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000362395059 433687657 /nfs/dbraw/zinc/68/76/57/433687657.db2.gz HAAJSLPAFKOXOJ-SJLPKXTDSA-N 0 0 315.413 3.215 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427081158 433652208 /nfs/dbraw/zinc/65/22/08/433652208.db2.gz KPIULFRYWLVTOJ-GFCCVEGCSA-N 0 0 318.804 3.250 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC000414546602 433707775 /nfs/dbraw/zinc/70/77/75/433707775.db2.gz YGFVHCAKWRLLJL-HOTGVXAUSA-N 0 0 320.481 3.040 10 30 DGEERN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362456682 433727231 /nfs/dbraw/zinc/72/72/31/433727231.db2.gz WSKGQAMAVLMBFE-CVEARBPZSA-N 0 0 302.418 3.253 10 30 DGEERN N#Cc1cnccc1NCc1nc(-c2ccccc2F)cs1 ZINC000376459697 433744850 /nfs/dbraw/zinc/74/48/50/433744850.db2.gz GWDWJWRMIGTMJB-UHFFFAOYSA-N 0 0 310.357 3.250 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000283649712 433757037 /nfs/dbraw/zinc/75/70/37/433757037.db2.gz WUPITLQBZGVFGP-HNNXBMFYSA-N 0 0 316.449 3.075 10 30 DGEERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000301858625 433760665 /nfs/dbraw/zinc/76/06/65/433760665.db2.gz CWJGUUUXYYLBBE-GFCCVEGCSA-N 0 0 323.444 3.226 10 30 DGEERN CCn1c(Sc2ccc(C#N)nn2)nnc1-c1ccccc1C ZINC000301861068 433761380 /nfs/dbraw/zinc/76/13/80/433761380.db2.gz ACGZJJJQMRDYDC-UHFFFAOYSA-N 0 0 322.397 3.086 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339788280 433779556 /nfs/dbraw/zinc/77/95/56/433779556.db2.gz MZGJZJRMETXUSH-DYVFJYSZSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1c(F)cccc1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339788278 433784050 /nfs/dbraw/zinc/78/40/50/433784050.db2.gz MZGJZJRMETXUSH-CXAGYDPISA-N 0 0 300.308 3.149 10 30 DGEERN Cc1csc(C2(NC(=O)c3ccc(F)c(C#N)c3)CCC2)n1 ZINC000283837634 433786639 /nfs/dbraw/zinc/78/66/39/433786639.db2.gz HEAIOLYOYLEYEN-UHFFFAOYSA-N 0 0 315.373 3.272 10 30 DGEERN CC1(C#N)CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC000356982577 433803463 /nfs/dbraw/zinc/80/34/63/433803463.db2.gz NLDBEXFIZOAEAQ-UHFFFAOYSA-N 0 0 322.368 3.035 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000456783081 433825755 /nfs/dbraw/zinc/82/57/55/433825755.db2.gz VOWDZIIMYKTJDQ-HNNXBMFYSA-N 0 0 314.429 3.354 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000362705919 433828563 /nfs/dbraw/zinc/82/85/63/433828563.db2.gz YZFVITLMRUBQAD-TVQRCGJNSA-N 0 0 309.207 3.310 10 30 DGEERN CN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302740975 433846439 /nfs/dbraw/zinc/84/64/39/433846439.db2.gz RBWQCWDCZVXLFL-UHFFFAOYSA-N 0 0 302.721 3.151 10 30 DGEERN C=CCOCCNC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000377073184 433847292 /nfs/dbraw/zinc/84/72/92/433847292.db2.gz NFGKNRJYYWOSIM-CTYIDZIISA-N 0 0 308.809 3.088 10 30 DGEERN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C#N)n1C ZINC000449878766 433851041 /nfs/dbraw/zinc/85/10/41/433851041.db2.gz CGIPSTAEVZQXTG-AWEZNQCLSA-N 0 0 315.804 3.301 10 30 DGEERN C=C(Cl)CNC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000377317309 433852497 /nfs/dbraw/zinc/85/24/97/433852497.db2.gz OZVDDPXQJPSFAB-UHFFFAOYSA-N 0 0 308.765 3.304 10 30 DGEERN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000285164941 433919244 /nfs/dbraw/zinc/91/92/44/433919244.db2.gz PUSPWTHTLICPAV-PKOBYXMFSA-N 0 0 313.445 3.097 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000285382519 433933108 /nfs/dbraw/zinc/93/31/08/433933108.db2.gz LBGKNQLAISPEST-KGLIPLIRSA-N 0 0 323.458 3.260 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CC)c(F)c1 ZINC000436377418 433949987 /nfs/dbraw/zinc/94/99/87/433949987.db2.gz HKUZKEIBHCERPV-CJNGLKHVSA-N 0 0 306.381 3.491 10 30 DGEERN CC(C)c1ccccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377679188 433952426 /nfs/dbraw/zinc/95/24/26/433952426.db2.gz UIXYJECYEULFJS-OAHLLOKOSA-N 0 0 312.417 3.014 10 30 DGEERN C=C[C@H](C)NC(=O)CCc1cccc(F)c1Br ZINC000450095688 433967777 /nfs/dbraw/zinc/96/77/77/433967777.db2.gz CDDAQTBDNBUORI-VIFPVBQESA-N 0 0 300.171 3.212 10 30 DGEERN CCC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccc(F)cc1F ZINC000450100169 433968513 /nfs/dbraw/zinc/96/85/13/433968513.db2.gz JCAFEJVYEBIBFG-OAHLLOKOSA-N 0 0 317.339 3.446 10 30 DGEERN N#C[C@@H](NC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 ZINC000357357624 433969260 /nfs/dbraw/zinc/96/92/60/433969260.db2.gz RATSYUDOEBFASG-CQSZACIVSA-N 0 0 320.270 3.406 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000293943071 433938067 /nfs/dbraw/zinc/93/80/67/433938067.db2.gz OOOVWQVKMUTFOI-MRXNPFEDSA-N 0 0 301.430 3.141 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CCCC1 ZINC000450270662 434067229 /nfs/dbraw/zinc/06/72/29/434067229.db2.gz SXFFHONPOBJKGA-UHFFFAOYSA-N 0 0 321.442 3.474 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](C)c2ccc(-n3cccn3)c(F)c2)n1 ZINC000436712723 434077484 /nfs/dbraw/zinc/07/74/84/434077484.db2.gz BVNMNDKKQIJZQH-GFCCVEGCSA-N 0 0 322.347 3.155 10 30 DGEERN CC[C@H](C)n1ncc(NC(=O)c2ccc(C#N)n2C)c1C1CC1 ZINC000450301605 434092326 /nfs/dbraw/zinc/09/23/26/434092326.db2.gz UPYNCIUHSOZTHM-NSHDSACASA-N 0 0 311.389 3.194 10 30 DGEERN C=C1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000294710647 434129857 /nfs/dbraw/zinc/12/98/57/434129857.db2.gz VZJLWEATLZOBIB-UHFFFAOYSA-N 0 0 300.221 3.232 10 30 DGEERN C=C(C)[C@H](Cc1nc(CC2CCC(OC)CC2)no1)OCC ZINC000357732194 434153260 /nfs/dbraw/zinc/15/32/60/434153260.db2.gz NYPBZJYXCTWLGP-NRXISQOPSA-N 0 0 308.422 3.341 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000364621297 434275859 /nfs/dbraw/zinc/27/58/59/434275859.db2.gz HEZQYWPPEXIACG-CJNGLKHVSA-N 0 0 308.447 3.174 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000364310680 434264922 /nfs/dbraw/zinc/26/49/22/434264922.db2.gz XWXKTWGACOPQCM-INIZCTEOSA-N 0 0 322.412 3.329 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000437503302 434274532 /nfs/dbraw/zinc/27/45/32/434274532.db2.gz XBBRJRYCIANWLG-PXAZEXFGSA-N 0 0 316.376 3.326 10 30 DGEERN C=CCOCCCC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364108857 434235184 /nfs/dbraw/zinc/23/51/84/434235184.db2.gz TWTSDMRIIYHHKP-UHFFFAOYSA-N 0 0 310.397 3.348 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1c(C)cccc1Cl ZINC000437528057 434282977 /nfs/dbraw/zinc/28/29/77/434282977.db2.gz UBXPBEOCBQDHFE-DYVFJYSZSA-N 0 0 307.821 3.288 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2nccs2)cn1 ZINC000328621271 434293475 /nfs/dbraw/zinc/29/34/75/434293475.db2.gz HRMLBCNPFFKSCW-KGYLQXTDSA-N 0 0 320.418 3.155 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CCO1 ZINC000328657938 434296178 /nfs/dbraw/zinc/29/61/78/434296178.db2.gz QBRLVXKGTOZFEL-SYAUCNOPSA-N 0 0 304.390 3.073 10 30 DGEERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)CCC1=O ZINC000328660687 434297460 /nfs/dbraw/zinc/29/74/60/434297460.db2.gz VURNBUWTCHNOPS-JJAZEVLHSA-N 0 0 316.401 3.264 10 30 DGEERN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000328708417 434301636 /nfs/dbraw/zinc/30/16/36/434301636.db2.gz QIYXKMDFIQHEED-XJKSGUPXSA-N 0 0 316.380 3.336 10 30 DGEERN C=CCOc1ccc(CNC(=O)N2C[C@H]3CCCC[C@H]32)cc1 ZINC000365744786 434306421 /nfs/dbraw/zinc/30/64/21/434306421.db2.gz YIVIBBRQRWEDSA-NVXWUHKLSA-N 0 0 300.402 3.335 10 30 DGEERN C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000328770598 434310410 /nfs/dbraw/zinc/31/04/10/434310410.db2.gz GTJTUQLEXZGKOZ-RDBSUJKOSA-N 0 0 318.465 3.188 10 30 DGEERN O=C(NCCOC1CCCC1)N[C@H]1CCc2ccccc2C1 ZINC000328827982 434318616 /nfs/dbraw/zinc/31/86/16/434318616.db2.gz SVIABBITUGGXNZ-INIZCTEOSA-N 0 0 302.418 3.007 10 30 DGEERN C=CC1CCN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000364552813 434277065 /nfs/dbraw/zinc/27/70/65/434277065.db2.gz YXBCOOHKWSKCJV-CQSZACIVSA-N 0 0 301.434 3.063 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC000437521642 434277610 /nfs/dbraw/zinc/27/76/10/434277610.db2.gz CKKAABXISFDOEN-PXAZEXFGSA-N 0 0 316.376 3.028 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC2(C1)CCCCC2 ZINC000437938635 434372886 /nfs/dbraw/zinc/37/28/86/434372886.db2.gz YJKQLKKZHUKIPZ-JKSUJKDBSA-N 0 0 306.450 3.333 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1CCCCC1)C2 ZINC000329236890 434379469 /nfs/dbraw/zinc/37/94/69/434379469.db2.gz OQZAOCPVSZJVLE-CQSZACIVSA-N 0 0 318.465 3.332 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000437993800 434380631 /nfs/dbraw/zinc/38/06/31/434380631.db2.gz OGZCLTNOTZLANF-ZBFHGGJFSA-N 0 0 308.466 3.435 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Sc1ccccn1 ZINC000287533780 434388475 /nfs/dbraw/zinc/38/84/75/434388475.db2.gz VRASMMGAYZGKIC-DOTOQJQBSA-N 0 0 324.449 3.313 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(C)CC1 ZINC000358230246 434389097 /nfs/dbraw/zinc/38/90/97/434389097.db2.gz HYVGOFBRIKKQGU-UHFFFAOYSA-N 0 0 303.362 3.093 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000328964143 434335884 /nfs/dbraw/zinc/33/58/84/434335884.db2.gz ROOZBSSPZISQCJ-GZBFAFLISA-N 0 0 303.406 3.035 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 ZINC000366179590 434347936 /nfs/dbraw/zinc/34/79/36/434347936.db2.gz DXVWIFWYINHUCG-HPFXQQBRSA-N 0 0 304.434 3.267 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 ZINC000295503892 434392169 /nfs/dbraw/zinc/39/21/69/434392169.db2.gz DSQNDABKGZRKAJ-KUHUBIRLSA-N 0 0 322.408 3.049 10 30 DGEERN C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccc(C#N)cc1F ZINC000358440517 434393408 /nfs/dbraw/zinc/39/34/08/434393408.db2.gz ZLGSZCQHQGJLHK-JTQLQIEISA-N 0 0 311.316 3.315 10 30 DGEERN C[C@@H]1CC[C@@]2(CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342598 434394867 /nfs/dbraw/zinc/39/48/67/434394867.db2.gz OOLWVZVKEYFOPM-XFQXTVEOSA-N 0 0 321.424 3.279 10 30 DGEERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000329356789 434398424 /nfs/dbraw/zinc/39/84/24/434398424.db2.gz ZPVBQMHZPCHZEG-FMKPAKJESA-N 0 0 304.438 3.092 10 30 DGEERN C=CCN(c1nnc(CCC(C)C)n1C[C@H]1CCCO1)C1CC1 ZINC000359203338 434414540 /nfs/dbraw/zinc/41/45/40/434414540.db2.gz LEXGGHDUHDGWKE-MRXNPFEDSA-N 0 0 318.465 3.201 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cnn([C@@H](C)CC)c1C ZINC000359442186 434419039 /nfs/dbraw/zinc/41/90/39/434419039.db2.gz RRNFWFFPIVBJJC-JTQLQIEISA-N 0 0 303.328 3.353 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366499725 434435835 /nfs/dbraw/zinc/43/58/35/434435835.db2.gz YYAAMDCSAZNBHY-MJGOQNOKSA-N 0 0 305.356 3.437 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000417604318 434458910 /nfs/dbraw/zinc/45/89/10/434458910.db2.gz BINFSFBUZYHOLX-JTQLQIEISA-N 0 0 319.735 3.450 10 30 DGEERN C=CCOc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1OC ZINC000438373234 434467184 /nfs/dbraw/zinc/46/71/84/434467184.db2.gz JFPLIJSCLPZURD-KKUMJFAQSA-N 0 0 305.418 3.258 10 30 DGEERN CN(Cc1ccccc1Br)c1ccncc1C#N ZINC000399538480 434476889 /nfs/dbraw/zinc/47/68/89/434476889.db2.gz VRBWDKVCCYKHRE-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000417628001 434477752 /nfs/dbraw/zinc/47/77/52/434477752.db2.gz QEDQXZORKZKVGE-LLVKDONJSA-N 0 0 305.271 3.354 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000438444433 434479889 /nfs/dbraw/zinc/47/98/89/434479889.db2.gz HSNGQDPYHJAHAP-NOLJZWGESA-N 0 0 322.836 3.070 10 30 DGEERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@@H]2CCCCC23CCCC3)C1 ZINC000329807903 434482950 /nfs/dbraw/zinc/48/29/50/434482950.db2.gz LTOYUOXJNTWWPZ-MELADBBJSA-N 0 0 323.437 3.028 10 30 DGEERN Cc1cc(Cl)cnc1NC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329845534 434492124 /nfs/dbraw/zinc/49/21/24/434492124.db2.gz XZYKYQCGYXYUSP-AWEZNQCLSA-N 0 0 323.824 3.480 10 30 DGEERN N#Cc1ccc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)o1 ZINC000360056067 434493282 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Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(Br)s1 ZINC000408288523 434558679 /nfs/dbraw/zinc/55/86/79/434558679.db2.gz YEXJFFKTBGOWHM-SCZZXKLOSA-N 0 0 313.220 3.241 10 30 DGEERN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)c(C)c1C ZINC000408339413 434563336 /nfs/dbraw/zinc/56/33/36/434563336.db2.gz PSEOFDCDARBMAU-JKSUJKDBSA-N 0 0 320.458 3.199 10 30 DGEERN Cc1nnc(Sc2nc(C)cc(C#N)n2)n1-c1ccccc1C ZINC000439103982 434565659 /nfs/dbraw/zinc/56/56/59/434565659.db2.gz ZRZJWUPXPAFJJO-UHFFFAOYSA-N 0 0 322.397 3.005 10 30 DGEERN CC[C@@H](C)n1ncc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1C ZINC000408400662 434571275 /nfs/dbraw/zinc/57/12/75/434571275.db2.gz VYLWQMLKPURSCQ-DOMZBBRYSA-N 0 0 302.422 3.317 10 30 DGEERN C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000277137854 299907647 /nfs/dbraw/zinc/90/76/47/299907647.db2.gz DHDIMIMILNYMHX-QHERXFFYSA-N 0 0 324.424 3.315 10 30 DGEERN Cc1cc(C)c(C#N)c(N2CC[C@H](n3cnc4c3CCCC4)C2)n1 ZINC000408387711 434568516 /nfs/dbraw/zinc/56/85/16/434568516.db2.gz 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/nfs/dbraw/zinc/62/81/62/434628162.db2.gz GVOFRYVWWHVWCE-CHWSQXEVSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCS[C@@H](CC)C1 ZINC000424120722 434628491 /nfs/dbraw/zinc/62/84/91/434628491.db2.gz GVOFRYVWWHVWCE-STQMWFEESA-N 0 0 324.519 3.364 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCO[C@@H](CCC)C1 ZINC000424125454 434630747 /nfs/dbraw/zinc/63/07/47/434630747.db2.gz OAYDCUVHTTTZAW-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N(C)C[C@H]1CCCCO1 ZINC000424133025 434630755 /nfs/dbraw/zinc/63/07/55/434630755.db2.gz YPAUTVJQWIQCAD-KGLIPLIRSA-N 0 0 322.478 3.038 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Cc1ccc(Br)cc1O ZINC000410125164 434632359 /nfs/dbraw/zinc/63/23/59/434632359.db2.gz WNNUTCBJIXOFKD-GFCCVEGCSA-N 0 0 312.207 3.168 10 30 DGEERN C=CC1CCN(C(=O)NC2CCC(c3nc(C)no3)CC2)CC1 ZINC000371132503 434644146 /nfs/dbraw/zinc/64/41/46/434644146.db2.gz GUQBOUCWMIYNBC-UHFFFAOYSA-N 0 0 318.421 3.012 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCOC(C)(C)C1 ZINC000424243606 434663100 /nfs/dbraw/zinc/66/31/00/434663100.db2.gz KIRZLEPVDYEOBZ-ZDUSSCGKSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)[C@H](C)CC#N ZINC000424240010 434663941 /nfs/dbraw/zinc/66/39/41/434663941.db2.gz HWGWJNYZYBYDAQ-CHWSQXEVSA-N 0 0 305.451 3.161 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(CC)CCOCC ZINC000424244633 434664226 /nfs/dbraw/zinc/66/42/26/434664226.db2.gz LFCNLOALFFUBJU-AWEZNQCLSA-N 0 0 324.494 3.285 10 30 DGEERN C=CC[C@H](C)NC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411234783 434750504 /nfs/dbraw/zinc/75/05/04/434750504.db2.gz CRKOLWHFIHCTSN-JTQLQIEISA-N 0 0 323.462 3.022 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000452771805 434710620 /nfs/dbraw/zinc/71/06/20/434710620.db2.gz BSCNILXZEMBLMQ-LJQANCHMSA-N 0 0 314.429 3.010 10 30 DGEERN C=CC(C)(C)CNC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000452779476 434712434 /nfs/dbraw/zinc/71/24/34/434712434.db2.gz UCWAPQFZRUEAMW-UHFFFAOYSA-N 0 0 303.402 3.107 10 30 DGEERN C=CCCCCNC(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459773690 434713711 /nfs/dbraw/zinc/71/37/11/434713711.db2.gz IUUWXCMITYDEOR-UHFFFAOYSA-N 0 0 321.396 3.140 10 30 DGEERN C=CC[C@@H](C(=O)NCC1(CF)CCOCC1)c1ccccc1 ZINC000452807383 434723698 /nfs/dbraw/zinc/72/36/98/434723698.db2.gz OKXZZMVONRPOIW-MRXNPFEDSA-N 0 0 305.393 3.229 10 30 DGEERN CN(C)c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000460146867 434744261 /nfs/dbraw/zinc/74/42/61/434744261.db2.gz RQRAMBPMVPAJAP-UHFFFAOYSA-N 0 0 306.325 3.467 10 30 DGEERN C#Cc1cccc(NC(=O)NC2CCC(c3nc(C)no3)CC2)c1 ZINC000371889895 434766110 /nfs/dbraw/zinc/76/61/10/434766110.db2.gz FZIBYUUBANXHCL-UHFFFAOYSA-N 0 0 324.384 3.207 10 30 DGEERN C=CCC1(C(=O)N[C@@H](CC)c2nc(C)cs2)CCOCC1 ZINC000424643923 434766804 /nfs/dbraw/zinc/76/68/04/434766804.db2.gz GOVBDAGPBLMIBF-ZDUSSCGKSA-N 0 0 308.447 3.392 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000452968079 434767431 /nfs/dbraw/zinc/76/74/31/434767431.db2.gz YTQFNWYEUUOIMD-XKQJLSEDSA-N 0 0 315.413 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/nfs/dbraw/zinc/79/78/29/434797829.db2.gz LXVBITFJROPFMB-UHFFFAOYSA-N 0 0 303.377 3.083 10 30 DGEERN C=CCC1(C(=O)NCc2c(Cl)cccc2OC)CCOCC1 ZINC000424796954 434804899 /nfs/dbraw/zinc/80/48/99/434804899.db2.gz DPUHLYGLHXNALC-UHFFFAOYSA-N 0 0 323.820 3.338 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](OCC)c2ccccc2)CCOCC1 ZINC000424806501 434806662 /nfs/dbraw/zinc/80/66/62/434806662.db2.gz IJYSIFSGHPGIKZ-QGZVFWFLSA-N 0 0 317.429 3.253 10 30 DGEERN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000424815684 434809054 /nfs/dbraw/zinc/80/90/54/434809054.db2.gz XNRXHGANIMRTJO-DLBZAZTESA-N 0 0 309.413 3.447 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000424861148 434818575 /nfs/dbraw/zinc/81/85/75/434818575.db2.gz WKXALFBEBWBJSE-JKSUJKDBSA-N 0 0 303.377 3.171 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCC(C(F)(F)F)CC1 ZINC000424922128 434829542 /nfs/dbraw/zinc/82/95/42/434829542.db2.gz GRDRJQVTISZLPJ-MVKMKZAISA-N 0 0 305.340 3.062 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCC=C(C)C)c1 ZINC000424930861 434829959 /nfs/dbraw/zinc/82/99/59/434829959.db2.gz HNCXBAVPPOKWCN-WMZOPIPTSA-N 0 0 315.413 3.353 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000424932923 434830087 /nfs/dbraw/zinc/83/00/87/434830087.db2.gz OXDUFFDLWBDARR-KSWRQPAISA-N 0 0 309.450 3.068 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000573180090 434879368 /nfs/dbraw/zinc/87/93/68/434879368.db2.gz GNIDFKLMGOJENR-BBWFWOEESA-N 0 0 318.392 3.236 10 30 DGEERN CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)C3CC3)c(C)c2c1 ZINC000521291836 434880227 /nfs/dbraw/zinc/88/02/27/434880227.db2.gz BXMIAMSEPMVKIQ-INIZCTEOSA-N 0 0 324.380 3.295 10 30 DGEERN Cc1cc(C#N)nc(NCc2ccccc2OCCC(C)C)n1 ZINC000553376652 434889216 /nfs/dbraw/zinc/88/92/16/434889216.db2.gz VZAJIQRRUQGCOZ-UHFFFAOYSA-N 0 0 310.401 3.694 10 30 DGEERN CO[C@@H](C)[C@@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000461282324 434874764 /nfs/dbraw/zinc/87/47/64/434874764.db2.gz 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/nfs/dbraw/zinc/02/06/60/435020660.db2.gz OIOFPENBNLWKBN-SOFGYWHQSA-N 0 0 322.386 3.090 10 30 DGEERN C=C[C@@H]1OCC[C@H]1c1nc(-c2c[nH]c(=O)c3sccc32)no1 ZINC000528255307 435021484 /nfs/dbraw/zinc/02/14/84/435021484.db2.gz LCLBNEBVPLGAIB-KOLCDFICSA-N 0 0 315.354 3.110 10 30 DGEERN C[C@H](C#N)CN(C)Cc1ccc(Br)c(F)c1F ZINC000528369813 435023628 /nfs/dbraw/zinc/02/36/28/435023628.db2.gz YNRHBQVJVOZZKZ-MRVPVSSYSA-N 0 0 303.150 3.319 10 30 DGEERN CCOC(=O)c1cc(OC(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575386938 435034246 /nfs/dbraw/zinc/03/42/46/435034246.db2.gz RBANTLCEGUVCOI-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(C)(c2nc(C)no2)CC1 ZINC000575327247 435030544 /nfs/dbraw/zinc/03/05/44/435030544.db2.gz SRSFRRLCNKVLHN-UHFFFAOYSA-N 0 0 320.437 3.188 10 30 DGEERN CCOC(=O)Cc1cc(C(F)F)c(Br)cc1C#N ZINC000575341611 435030642 /nfs/dbraw/zinc/03/06/42/435030642.db2.gz LWXXEZKRQQBLPJ-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=CCN(C(=O)Cc1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000528960480 435031262 /nfs/dbraw/zinc/03/12/62/435031262.db2.gz OPQXLXPNZCTELV-UHFFFAOYSA-N 0 0 311.328 3.016 10 30 DGEERN CCc1cc(CC(=O)OC)c(C#N)c(SC(F)(F)F)c1 ZINC000575389286 435034314 /nfs/dbraw/zinc/03/43/14/435034314.db2.gz FEXOWIZOPIFBIY-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN COC(=O)c1cc(C#N)cc(Br)c1OC(F)(F)F ZINC000575383686 435032737 /nfs/dbraw/zinc/03/27/37/435032737.db2.gz YVBJVKRSYGSRBO-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN CCOC(=O)Cc1cc(Cl)c(OC(F)(F)F)c(C#N)c1 ZINC000575383084 435032754 /nfs/dbraw/zinc/03/27/54/435032754.db2.gz GBJBMMLSYWYNSI-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1C(F)(F)F ZINC000575386868 435034578 /nfs/dbraw/zinc/03/45/78/435034578.db2.gz MAKMNNKYDCXMIY-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000464553756 434991602 /nfs/dbraw/zinc/99/16/02/434991602.db2.gz SIOKQRPLZRWJPG-AWEZNQCLSA-N 0 0 302.418 3.248 10 30 DGEERN COC(=O)Cc1cc(Br)cc(C(F)(F)F)c1C#N ZINC000575383904 435034602 /nfs/dbraw/zinc/03/46/02/435034602.db2.gz QZSFJZPFUHPKDM-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000529089371 435032940 /nfs/dbraw/zinc/03/29/40/435032940.db2.gz IWCMICHLNGZMHR-KBXCAEBGSA-N 0 0 300.402 3.494 10 30 DGEERN C=CCCCNC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000556100229 434996683 /nfs/dbraw/zinc/99/66/83/434996683.db2.gz ITNNEKVWKPDMIA-LBPRGKRZSA-N 0 0 311.451 3.348 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000574956014 435004882 /nfs/dbraw/zinc/00/48/82/435004882.db2.gz HABPTTHODQJSGB-CQSZACIVSA-N 0 0 318.417 3.112 10 30 DGEERN C=CCOc1cccc(NC(=O)c2nc(C)ncc2Cl)c1 ZINC000525142351 435004945 /nfs/dbraw/zinc/00/49/45/435004945.db2.gz GZQDKWKYLOFPKX-UHFFFAOYSA-N 0 0 303.749 3.256 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1ccc(C(C)C)cc1 ZINC000574952211 435005490 /nfs/dbraw/zinc/00/54/90/435005490.db2.gz JFVAFTIAHNXJIU-QZTJIDSGSA-N 0 0 301.430 3.450 10 30 DGEERN Cc1ccc(C[C@H](C)NC(=O)Cc2cccc(C#N)c2)c(C)c1 ZINC000530913522 435059084 /nfs/dbraw/zinc/05/90/84/435059084.db2.gz WCHNUYVUKGVBFK-INIZCTEOSA-N 0 0 306.409 3.465 10 30 DGEERN C=C[C@H](CC(=O)N(CC(=O)OCC)C1CCC1)c1ccccc1 ZINC000466266813 435068010 /nfs/dbraw/zinc/06/80/10/435068010.db2.gz COUDKSDWPFISJS-OAHLLOKOSA-N 0 0 315.413 3.291 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000531147777 435075145 /nfs/dbraw/zinc/07/51/45/435075145.db2.gz DZGUIEHRCQTLNW-UHFFFAOYSA-N 0 0 317.392 3.410 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000531145913 435075210 /nfs/dbraw/zinc/07/52/10/435075210.db2.gz QALOBEFGZJAPDX-UHFFFAOYSA-N 0 0 320.392 3.324 10 30 DGEERN COc1ccc(Cc2noc(Cc3cccc(C#N)c3)n2)cc1 ZINC000531162102 435076146 /nfs/dbraw/zinc/07/61/46/435076146.db2.gz RKCVLTNFSQCOHD-UHFFFAOYSA-N 0 0 305.337 3.131 10 30 DGEERN C=CC[C@H](CC)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000466537352 435082126 /nfs/dbraw/zinc/08/21/26/435082126.db2.gz XQZPQCNOUAUAEA-AWEZNQCLSA-N 0 0 323.383 3.484 10 30 DGEERN CCOC(=O)Cc1cc(OC(F)F)cc(C(F)(F)F)c1C#N ZINC000575386781 435034712 /nfs/dbraw/zinc/03/47/12/435034712.db2.gz GXALGSGZDDYUDC-UHFFFAOYSA-N 0 0 323.217 3.284 10 30 DGEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1OC(F)(F)F ZINC000575388963 435034777 /nfs/dbraw/zinc/03/47/77/435034777.db2.gz NHBUPLPRQKCSGB-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1OC(F)F ZINC000575385277 435034785 /nfs/dbraw/zinc/03/47/85/435034785.db2.gz HXXWHUNHFUAJKP-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C=O)cc1C#N ZINC000575391904 435035091 /nfs/dbraw/zinc/03/50/91/435035091.db2.gz ZCAZHTMQWKLIHN-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCc1ccc(C#N)c(SC(F)(F)F)c1CC(=O)OC ZINC000575390167 435035329 /nfs/dbraw/zinc/03/53/29/435035329.db2.gz YFCAXEFYSRQPPS-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)Cc1ccc(SC(F)(F)F)c(F)c1C#N ZINC000575390726 435035333 /nfs/dbraw/zinc/03/53/33/435035333.db2.gz VENVLIXVGJQKTM-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN CCOC(=O)Cc1ccc(OC)c(C#N)c1SC(F)(F)F ZINC000575394200 435035498 /nfs/dbraw/zinc/03/54/98/435035498.db2.gz GZUOZZQBOOQUTD-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc(OC)c(C#N)c(SC(F)(F)F)c1 ZINC000575394625 435035727 /nfs/dbraw/zinc/03/57/27/435035727.db2.gz OCWOHNCHIKURAY-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1SC(F)(F)F ZINC000575394212 435035743 /nfs/dbraw/zinc/03/57/43/435035743.db2.gz PFFSOBLBBMSANB-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)Cc1ccc(OC)c(SC(F)(F)F)c1C#N ZINC000575394109 435035753 /nfs/dbraw/zinc/03/57/53/435035753.db2.gz BRFWYHICUIEQNK-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)Cc1cc(SC(F)(F)F)c(C=O)cc1C#N ZINC000575391363 435035775 /nfs/dbraw/zinc/03/57/75/435035775.db2.gz KIFFZGFZSUBBFQ-UHFFFAOYSA-N 0 0 317.288 3.088 10 30 DGEERN CCOC(=O)Cc1cc(OC)c(C#N)cc1SC(F)(F)F ZINC000575395012 435036176 /nfs/dbraw/zinc/03/61/76/435036176.db2.gz TYAJRLMPQQAJTC-UHFFFAOYSA-N 0 0 319.304 3.284 10 30 DGEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])cc1SC(F)(F)F ZINC000575394969 435036286 /nfs/dbraw/zinc/03/62/86/435036286.db2.gz ZOSDQIFKKMZPNY-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1SC(F)(F)F ZINC000575394737 435036332 /nfs/dbraw/zinc/03/63/32/435036332.db2.gz UKYHPRBCNKPDKN-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN CCc1cc(OC(F)F)c(C#N)cc1I ZINC000575657027 435039326 /nfs/dbraw/zinc/03/93/26/435039326.db2.gz YSNSSFMICFOTSZ-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN Cc1cc(CC#N)c(OC(F)F)cc1I ZINC000575664048 435040886 /nfs/dbraw/zinc/04/08/86/435040886.db2.gz ULQSELVXRHYWCX-UHFFFAOYSA-N 0 0 323.080 3.267 10 30 DGEERN N#CCc1c(Br)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575686291 435043697 /nfs/dbraw/zinc/04/36/97/435043697.db2.gz OWAIFWPSPZOJER-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN N#CCc1c([N+](=O)[O-])ccc(Br)c1OC(F)F ZINC000575684637 435044442 /nfs/dbraw/zinc/04/44/42/435044442.db2.gz HJOCUXAVLWHDIR-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN Cc1cc(I)c(C#N)cc1Br ZINC000575693111 435045408 /nfs/dbraw/zinc/04/54/08/435045408.db2.gz LKFMHJSZCIEZTE-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1ccc(C#N)c(I)c1Br ZINC000575693182 435045415 /nfs/dbraw/zinc/04/54/15/435045415.db2.gz NAULOKCEVUKGLB-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN N#CCc1cc([N+](=O)[O-])cc(Br)c1Br ZINC000575695077 435045535 /nfs/dbraw/zinc/04/55/35/435045535.db2.gz PKGHALDSEUVMGA-UHFFFAOYSA-N 0 0 319.940 3.186 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)Cc1cccc(C#N)c1 ZINC000530670172 435046019 /nfs/dbraw/zinc/04/60/19/435046019.db2.gz CMOMITRYGXRMMS-UHFFFAOYSA-N 0 0 304.393 3.358 10 30 DGEERN CSc1cc(I)c(CC#N)cc1C ZINC000575707848 435048944 /nfs/dbraw/zinc/04/89/44/435048944.db2.gz BIDAPHWMYTUKSN-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)c(OC(F)(F)F)cc1F ZINC000575711218 435049963 /nfs/dbraw/zinc/04/99/63/435049963.db2.gz SPHJHUVFQQYNAQ-UHFFFAOYSA-N 0 0 322.132 3.410 10 30 DGEERN C[C@H](OCCCNC(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000531386210 435090287 /nfs/dbraw/zinc/09/02/87/435090287.db2.gz NZDCSFUJKDLGIP-INIZCTEOSA-N 0 0 322.408 3.385 10 30 DGEERN Cc1cc(C#N)nc(NCc2ccc(OC3CCCC3)cc2)n1 ZINC000557533076 435056287 /nfs/dbraw/zinc/05/62/87/435056287.db2.gz DBPIGBKQFOMPAZ-UHFFFAOYSA-N 0 0 308.385 3.590 10 30 DGEERN C=CCC1(C(=O)NC[C@H]2CSc3ccccc3O2)CCC1 ZINC000576756934 435057703 /nfs/dbraw/zinc/05/77/03/435057703.db2.gz VGXUODNHCJEIJC-ZDUSSCGKSA-N 0 0 303.427 3.402 10 30 DGEERN C=CCn1c(CC)nnc1N1CCC(F)(c2ccccc2)CC1 ZINC000558675783 435104354 /nfs/dbraw/zinc/10/43/54/435104354.db2.gz ATUJBFCKYCHERL-UHFFFAOYSA-N 0 0 314.408 3.492 10 30 DGEERN C[C@@]1(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000184008406 297872927 /nfs/dbraw/zinc/87/29/27/297872927.db2.gz BTJHSFAEOYPKPK-GJZGRUSLSA-N 0 0 323.223 3.138 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000469250509 435130776 /nfs/dbraw/zinc/13/07/76/435130776.db2.gz HLXSCHOBEPVHBE-JTQLQIEISA-N 0 0 305.328 3.896 10 30 DGEERN C=CCc1cc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc(OC)c1OC ZINC000475348667 435193443 /nfs/dbraw/zinc/19/34/43/435193443.db2.gz MPJDJVOOOSDYIH-HZPDHXFCSA-N 0 0 317.429 3.341 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000476100722 435221714 /nfs/dbraw/zinc/22/17/14/435221714.db2.gz FLFITGOSBUQLSD-ACJLOTCBSA-N 0 0 321.392 3.323 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000582183071 435238922 /nfs/dbraw/zinc/23/89/22/435238922.db2.gz ZIZPUOKHOFUQPV-INIZCTEOSA-N 0 0 323.440 3.336 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000476904817 435249144 /nfs/dbraw/zinc/24/91/44/435249144.db2.gz UFUYPAWORTZASU-GHMZBOCLSA-N 0 0 310.385 3.278 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000562323411 435257794 /nfs/dbraw/zinc/25/77/94/435257794.db2.gz GHNHKYQTZKTGRS-NVXWUHKLSA-N 0 0 311.385 3.100 10 30 DGEERN CC#CCNC(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000534205685 435270834 /nfs/dbraw/zinc/27/08/34/435270834.db2.gz TYDIAOHEIHRFEU-LJQANCHMSA-N 0 0 322.408 3.416 10 30 DGEERN C=C(C)CS(=O)(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000477493368 435271932 /nfs/dbraw/zinc/27/19/32/435271932.db2.gz HLFSNEZKISVXIO-KRWDZBQOSA-N 0 0 307.459 3.380 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000564885737 435275389 /nfs/dbraw/zinc/27/53/89/435275389.db2.gz ZGSAMMDILQYVBT-XKQJLSEDSA-N 0 0 318.392 3.093 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000565081528 435276857 /nfs/dbraw/zinc/27/68/57/435276857.db2.gz PPFXMKFTXKMDNQ-GJZGRUSLSA-N 0 0 304.409 3.465 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1CC ZINC000584167888 435279256 /nfs/dbraw/zinc/27/92/56/435279256.db2.gz JWKMGUPVDXZBHR-GUYCJALGSA-N 0 0 302.418 3.088 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000566428683 435285934 /nfs/dbraw/zinc/28/59/34/435285934.db2.gz ITXBEBFKAPFSMC-UHFFFAOYSA-N 0 0 324.446 3.266 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C)OCC ZINC000534408832 435287639 /nfs/dbraw/zinc/28/76/39/435287639.db2.gz BEMWVTVAPCPAOG-GNSPCKGOSA-N 0 0 317.429 3.427 10 30 DGEERN COC(=O)c1cccc(CNc2cc(OC)ccc2F)c1C#N ZINC000535895598 435361815 /nfs/dbraw/zinc/36/18/15/435361815.db2.gz FQKOJIKJAWTKOD-UHFFFAOYSA-N 0 0 314.316 3.105 10 30 DGEERN C=CCCCN(C)c1nnc(Cc2nc(C)cs2)n1CC=C ZINC000567859042 435363774 /nfs/dbraw/zinc/36/37/74/435363774.db2.gz RULUXXPOULAGDQ-UHFFFAOYSA-N 0 0 317.462 3.222 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000568260872 435416678 /nfs/dbraw/zinc/41/66/78/435416678.db2.gz GGRBDOOLQPDQCK-UHFFFAOYSA-N 0 0 320.458 3.261 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N(CCC)CCC ZINC000513632884 435394191 /nfs/dbraw/zinc/39/41/91/435394191.db2.gz GYWRKNFOUCINIV-UHFFFAOYSA-N 0 0 320.389 3.351 10 30 DGEERN C[C@@H](Cc1ccsc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000515201634 435469562 /nfs/dbraw/zinc/46/95/62/435469562.db2.gz CKKMCESJIKLHTE-HSBZDZAISA-N 0 0 305.447 3.308 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccccc1Cc1ccccc1 ZINC000537120900 435426592 /nfs/dbraw/zinc/42/65/92/435426592.db2.gz OORCQPMSWYDAGO-QGZVFWFLSA-N 0 0 309.409 3.192 10 30 DGEERN C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccncc1C#N ZINC000569174862 435510778 /nfs/dbraw/zinc/51/07/78/435510778.db2.gz ZGVRGKOEYMQPOO-LLVKDONJSA-N 0 0 305.303 3.437 10 30 DGEERN C=CCOc1cccc(NC(=O)N[C@@H](CO)[C@H](C)CCC)c1 ZINC000569247582 435516428 /nfs/dbraw/zinc/51/64/28/435516428.db2.gz BTFJQLMOVNPWIE-CJNGLKHVSA-N 0 0 306.406 3.170 10 30 DGEERN C(#Cc1ccccc1)CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000483929729 435534600 /nfs/dbraw/zinc/53/46/00/435534600.db2.gz IHWCQGJBFATQMR-UHFFFAOYSA-N 0 0 301.393 3.464 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000538421421 435500110 /nfs/dbraw/zinc/50/01/10/435500110.db2.gz UVKOHDJNAIOEAZ-CYBMUJFWSA-N 0 0 318.392 3.405 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000539321819 435546959 /nfs/dbraw/zinc/54/69/59/435546959.db2.gz PAGHEYLKYDTPMY-OAHLLOKOSA-N 0 0 317.429 3.313 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000539358709 435549245 /nfs/dbraw/zinc/54/92/45/435549245.db2.gz ZRAWZKFQGVBYEE-HXUWFJFHSA-N 0 0 322.408 3.450 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCc3ccccc3CC2)CC1 ZINC000569670693 435551046 /nfs/dbraw/zinc/55/10/46/435551046.db2.gz JBROADSLHLDKJT-UHFFFAOYSA-N 0 0 311.429 3.127 10 30 DGEERN CC1(C#N)CCN(C(=O)c2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000540957843 435630784 /nfs/dbraw/zinc/63/07/84/435630784.db2.gz LCNOSCKLBODQNV-UHFFFAOYSA-N 0 0 318.327 3.266 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000541339217 435642648 /nfs/dbraw/zinc/64/26/48/435642648.db2.gz QXKOIOJSNJNGCJ-KRWDZBQOSA-N 0 0 316.445 3.395 10 30 DGEERN C=C(C)COCCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541743526 435643378 /nfs/dbraw/zinc/64/33/78/435643378.db2.gz SFUIOVSTUJYKTF-KRWDZBQOSA-N 0 0 319.836 3.345 10 30 DGEERN C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160829697 300060182 /nfs/dbraw/zinc/06/01/82/300060182.db2.gz MMKZCYZFWNDBOU-QWRGUYRKSA-N 0 0 312.822 3.021 10 30 DGEERN N#Cc1cccc(Cc2nc(COc3cccc(F)c3)no2)c1 ZINC000548359662 435685368 /nfs/dbraw/zinc/68/53/68/435685368.db2.gz WROTWQIAASTMTB-UHFFFAOYSA-N 0 0 309.300 3.250 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NCCOCC1CCC1 ZINC000571373327 435700981 /nfs/dbraw/zinc/70/09/81/435700981.db2.gz UECBIWCIRCXUJI-UHFFFAOYSA-N 0 0 302.418 3.201 10 30 DGEERN C#CCn1ccc(CN(CC)Cc2ccc3ccccc3n2)n1 ZINC000491484195 435758142 /nfs/dbraw/zinc/75/81/42/435758142.db2.gz HWDQODKBLIWLOT-UHFFFAOYSA-N 0 0 304.397 3.087 10 30 DGEERN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CCCC)C(=O)[O-] ZINC000520594837 435759080 /nfs/dbraw/zinc/75/90/80/435759080.db2.gz UHSIRSIYYQTMJQ-HNNXBMFYSA-N 0 0 306.362 3.226 10 30 DGEERN N#Cc1cnccc1Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000571971430 435763875 /nfs/dbraw/zinc/76/38/75/435763875.db2.gz DQRZGELSCSILJU-UHFFFAOYSA-N 0 0 318.380 3.386 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000133221044 312662367 /nfs/dbraw/zinc/66/23/67/312662367.db2.gz CBGDLEDMTLXCCK-UHFFFAOYSA-N 0 0 320.352 3.326 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)C(C)C ZINC000172453157 312749130 /nfs/dbraw/zinc/74/91/30/312749130.db2.gz UKITUWDJCGMRAU-CQSZACIVSA-N 0 0 318.417 3.134 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC000538695463 313876671 /nfs/dbraw/zinc/87/66/71/313876671.db2.gz PWVSLYZITASKHW-KRWDZBQOSA-N 0 0 324.355 3.270 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@@H](COc3ccccc3)C2)c1 ZINC000541873001 314045081 /nfs/dbraw/zinc/04/50/81/314045081.db2.gz UIXRUEJVEGGNJE-GOSISDBHSA-N 0 0 320.392 3.028 10 30 DGEERN C[C@H](NCc1n[nH]cc1Br)c1ccc(C#N)cc1F ZINC000543762409 314157195 /nfs/dbraw/zinc/15/71/95/314157195.db2.gz SCSXJSOOUDVFTR-QMMMGPOBSA-N 0 0 323.169 3.034 10 30 DGEERN CN(CCc1ccc(Br)cc1)c1ccncc1C#N ZINC000547824957 314399355 /nfs/dbraw/zinc/39/93/55/314399355.db2.gz BHJJDKWTNLKAHM-UHFFFAOYSA-N 0 0 316.202 3.395 10 30 DGEERN COc1ccc(CNc2ccncc2C#N)c(C(F)(F)F)c1 ZINC000548480354 314451543 /nfs/dbraw/zinc/45/15/43/314451543.db2.gz LIPPKSLJCSQECG-UHFFFAOYSA-N 0 0 307.275 3.015 10 30 DGEERN Cc1cc(C#N)nc(N(C)[C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000553096154 314631881 /nfs/dbraw/zinc/63/18/81/314631881.db2.gz AZKSSBNOBGVONO-LBPRGKRZSA-N 0 0 300.793 3.378 10 30 DGEERN COC[C@@H](C)Nc1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000555889964 314738594 /nfs/dbraw/zinc/73/85/94/314738594.db2.gz RFCRZHFDOJVHBY-CQSZACIVSA-N 0 0 323.396 3.186 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCCc3cc(F)cc(F)c32)c1 ZINC000570457122 315651022 /nfs/dbraw/zinc/65/10/22/315651022.db2.gz HPNJZIAGCCYRPW-UHFFFAOYSA-N 0 0 312.319 3.358 10 30 DGEERN COc1ccc2oc(C(=O)Nc3cc(C#N)ccn3)c(C)c2c1 ZINC000572821599 315820297 /nfs/dbraw/zinc/82/02/97/315820297.db2.gz LCRQIMOTPLYROW-UHFFFAOYSA-N 0 0 307.309 3.269 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000182971758 323318642 /nfs/dbraw/zinc/31/86/42/323318642.db2.gz JFIAXJCBJYQLFN-UHFFFAOYSA-N 0 0 307.397 3.182 10 30 DGEERN CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nccs1 ZINC000185047135 323379632 /nfs/dbraw/zinc/37/96/32/323379632.db2.gz JYBQHLAOZICLEX-AWEZNQCLSA-N 0 0 314.414 3.084 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)c1coc(Br)c1 ZINC000378932204 323606704 /nfs/dbraw/zinc/60/67/04/323606704.db2.gz XMXQVECNKUBCHF-UHFFFAOYSA-N 0 0 321.130 3.175 10 30 DGEERN Cc1cc(C#N)nc(Nc2cnc(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000579627366 323895936 /nfs/dbraw/zinc/89/59/36/323895936.db2.gz WZLVYTXDZDSSEG-CQSZACIVSA-N 0 0 322.416 3.483 10 30 DGEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)OCC(C)(C)C#N)C1 ZINC000180134198 331562629 /nfs/dbraw/zinc/56/26/29/331562629.db2.gz NTCQDIGHHXYJJU-OLZOCXBDSA-N 0 0 324.421 3.163 10 30 DGEERN C=C1CCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000530953946 331656211 /nfs/dbraw/zinc/65/62/11/331656211.db2.gz IWEVASAOKNAYBE-UHFFFAOYSA-N 0 0 309.369 3.406 10 30 DGEERN C=CCCCCCNC(=O)NC(C)(C)c1cn(C(C)C)nn1 ZINC000584061750 331658634 /nfs/dbraw/zinc/65/86/34/331658634.db2.gz UFBLWKQRRBQWND-UHFFFAOYSA-N 0 0 307.442 3.140 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000584061850 331658754 /nfs/dbraw/zinc/65/87/54/331658754.db2.gz WYVDRQUOZNJPER-CQSZACIVSA-N 0 0 306.410 3.140 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000556679376 331724759 /nfs/dbraw/zinc/72/47/59/331724759.db2.gz WIYHVZCXWZLGFH-KOLCDFICSA-N 0 0 310.806 3.346 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CSC1(C)C ZINC000558992265 331964513 /nfs/dbraw/zinc/96/45/13/331964513.db2.gz UUTSRDBUVAQOLD-AWEZNQCLSA-N 0 0 308.422 3.417 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCOC2(CCC2)C1 ZINC000559004647 331965477 /nfs/dbraw/zinc/96/54/77/331965477.db2.gz ZCHPWQXCXVCMEY-UHFFFAOYSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO1 ZINC000559114398 331977717 /nfs/dbraw/zinc/97/77/17/331977717.db2.gz XVKQDJUTDSKIKW-HNNXBMFYSA-N 0 0 320.481 3.448 10 30 DGEERN C=C(C)CN(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000181539117 332198494 /nfs/dbraw/zinc/19/84/94/332198494.db2.gz UXEWTNKEVSAQKT-CYBMUJFWSA-N 0 0 300.324 3.378 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000574170478 332328298 /nfs/dbraw/zinc/32/82/98/332328298.db2.gz QOEGYDQDPGJQOF-HNNXBMFYSA-N 0 0 308.466 3.324 10 30 DGEERN C=CCCN(C)C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000425587583 335107377 /nfs/dbraw/zinc/10/73/77/335107377.db2.gz SDIZZWQSYAQNEC-AWEZNQCLSA-N 0 0 312.454 3.208 10 30 DGEERN C=CCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000561338739 332439411 /nfs/dbraw/zinc/43/94/11/332439411.db2.gz RMSNYNQXWTVTSP-UHFFFAOYSA-N 0 0 324.340 3.070 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000293764335 335113343 /nfs/dbraw/zinc/11/33/43/335113343.db2.gz LYPYXLUBHGHLRP-UHFFFAOYSA-N 0 0 303.328 3.168 10 30 DGEERN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000159571189 332663391 /nfs/dbraw/zinc/66/33/91/332663391.db2.gz YXXHIGFTYDDOKF-QMTHXVAHSA-N 0 0 310.319 3.302 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(c2c[nH]nc2C)CC1 ZINC000580209575 333009877 /nfs/dbraw/zinc/00/98/77/333009877.db2.gz CCJIVTJGOSPRPD-UHFFFAOYSA-N 0 0 304.438 3.354 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000185184794 335118120 /nfs/dbraw/zinc/11/81/20/335118120.db2.gz PICOUJYTKRSUNM-CQSZACIVSA-N 0 0 300.402 3.350 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N(C[C@H]1CCCO1)C1CCCC1 ZINC000582096099 333213431 /nfs/dbraw/zinc/21/34/31/333213431.db2.gz ZJVUAIZVHHVORQ-MRXNPFEDSA-N 0 0 318.465 3.345 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCC1CCC(OC)CC1 ZINC000497843466 333299734 /nfs/dbraw/zinc/29/97/34/333299734.db2.gz QSAVLQBEYPSJGV-UHFFFAOYSA-N 0 0 320.433 3.225 10 30 DGEERN C=CCSCCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000185716968 335148331 /nfs/dbraw/zinc/14/83/31/335148331.db2.gz WCXOLYBYVWEWNX-QXMHVHEDSA-N 0 0 306.387 3.034 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000077178821 334923292 /nfs/dbraw/zinc/92/32/92/334923292.db2.gz KSYHBSYJLYZXAI-UHFFFAOYSA-N 0 0 308.378 3.142 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000520606908 335994233 /nfs/dbraw/zinc/99/42/33/335994233.db2.gz WIZVTCGUUFVOIJ-UHFFFAOYSA-N 0 0 323.481 3.021 10 30 DGEERN C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000582228919 336034875 /nfs/dbraw/zinc/03/48/75/336034875.db2.gz WSAGYYNYNSFRGU-KBPBESRZSA-N 0 0 304.463 3.206 10 30 DGEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000182581177 336272773 /nfs/dbraw/zinc/27/27/73/336272773.db2.gz DNAUUURXCCQDSK-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(CC(=O)OC)c(F)c1 ZINC000514611374 336386219 /nfs/dbraw/zinc/38/62/19/336386219.db2.gz KOPWWXBSLDAWKY-UHFFFAOYSA-N 0 0 322.380 3.409 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000514637593 336387188 /nfs/dbraw/zinc/38/71/88/336387188.db2.gz RWRPOIHBZVSHNU-IEBWSBKVSA-N 0 0 301.430 3.327 10 30 DGEERN C=CCC[C@@H](NC(=O)Nc1cn(C)nc1OC)c1ccccc1 ZINC000354753172 336481222 /nfs/dbraw/zinc/48/12/22/336481222.db2.gz RURJZSRHJWQQOS-CQSZACIVSA-N 0 0 314.389 3.258 10 30 DGEERN CCO[C@H](C)c1ncc(C(=O)N2CCC(C)(C#N)CC2)s1 ZINC000356973950 336568105 /nfs/dbraw/zinc/56/81/05/336568105.db2.gz GZEUZKDIPHXGIL-LLVKDONJSA-N 0 0 307.419 3.006 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000584360171 337101174 /nfs/dbraw/zinc/10/11/74/337101174.db2.gz ZDCLLIXBZQGOHJ-UHFFFAOYSA-N 0 0 319.792 3.013 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1cc(OC)c(C)cc1C ZINC000582734559 337127614 /nfs/dbraw/zinc/12/76/14/337127614.db2.gz MRKIHNPCLWWKHW-UHFFFAOYSA-N 0 0 318.417 3.113 10 30 DGEERN C=CCCCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000582796156 337169201 /nfs/dbraw/zinc/16/92/01/337169201.db2.gz KWSZKRYDMQMLIY-UHFFFAOYSA-N 0 0 312.391 3.157 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC[C@@H]2c2ccccn2)CC1 ZINC000583791321 337333497 /nfs/dbraw/zinc/33/34/97/337333497.db2.gz FBAXEZXPHOLXEL-VMBOVVBDSA-N 0 0 312.417 3.258 10 30 DGEERN CCCCCCCCCC(=O)NC[C@H](CO)OCCCC ZINC000584602336 337371011 /nfs/dbraw/zinc/37/10/11/337371011.db2.gz UAAACLINQTVEQL-MRXNPFEDSA-N 0 0 301.471 3.421 10 30 DGEERN CCCCC[C@@H](O)C#CCCCC(=O)CCCCC(=O)OC ZINC000584615692 337372712 /nfs/dbraw/zinc/37/27/12/337372712.db2.gz HBCSMEOZISZCMD-MRXNPFEDSA-N 0 0 310.434 3.404 10 30 DGEERN COC(=O)c1cc([C@@H](C#N)c2ccc(Cl)cc2)ccc1N ZINC000584597109 337374378 /nfs/dbraw/zinc/37/43/78/337374378.db2.gz AWLNSBUBLUCQJD-AWEZNQCLSA-N 0 0 300.745 3.364 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCCc1ccsc1 ZINC000498155962 337461240 /nfs/dbraw/zinc/46/12/40/337461240.db2.gz LEMLSKIMYFHGDV-UHFFFAOYSA-N 0 0 304.415 3.324 10 30 DGEERN C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)C1CCOCC1 ZINC000161204575 337571813 /nfs/dbraw/zinc/57/18/13/337571813.db2.gz NJNRPQGWSWDEJK-RHSMWYFYSA-N 0 0 300.402 3.210 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C)[C@@H]1C ZINC000572000987 337586043 /nfs/dbraw/zinc/58/60/43/337586043.db2.gz ZFWIGGHKDVZISA-JQWIXIFHSA-N 0 0 303.435 3.131 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(OC2COC2)cc1 ZINC000572421214 337635547 /nfs/dbraw/zinc/63/55/47/337635547.db2.gz XMNQBPGJCJSXAF-UHFFFAOYSA-N 0 0 304.390 3.332 10 30 DGEERN C=CCCCCCN(C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000527216744 337738788 /nfs/dbraw/zinc/73/87/88/337738788.db2.gz NNOYEYXTGROVPI-OAHLLOKOSA-N 0 0 318.417 3.214 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000527900963 337772945 /nfs/dbraw/zinc/77/29/45/337772945.db2.gz ABAXNEUAURHLPE-ZFWWWQNUSA-N 0 0 308.219 3.375 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000527988055 337777886 /nfs/dbraw/zinc/77/78/86/337777886.db2.gz RRVUQTADVJWLTO-XHSDSOJGSA-N 0 0 320.820 3.360 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C)n1 ZINC000120244908 337872352 /nfs/dbraw/zinc/87/23/52/337872352.db2.gz NBHSEOXJMFMTRO-UHFFFAOYSA-N 0 0 320.396 3.160 10 30 DGEERN CC(C)c1cc(C(=O)N[C@@](C)(C#N)C(C)C)nn1C(C)(C)C ZINC000120932384 337882059 /nfs/dbraw/zinc/88/20/59/337882059.db2.gz BEHUJGMHDDCBSG-KRWDZBQOSA-N 0 0 304.438 3.430 10 30 DGEERN C[C@@H](CC(=O)N[C@@H](C#N)C1CC1)c1ccc(Br)cc1 ZINC000121079210 337885589 /nfs/dbraw/zinc/88/55/89/337885589.db2.gz BHIHJZOQKDTSMY-HZMBPMFUSA-N 0 0 321.218 3.361 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCC[C@H]1C ZINC000060738614 337920109 /nfs/dbraw/zinc/92/01/09/337920109.db2.gz RPYBWGMGDOCJBF-CYBMUJFWSA-N 0 0 318.373 3.103 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000516177103 338005906 /nfs/dbraw/zinc/00/59/06/338005906.db2.gz QURDYZZXSRHJIH-ZOBUZTSGSA-N 0 0 302.418 3.255 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(C2CC2)ccc1F ZINC000572477446 338136970 /nfs/dbraw/zinc/13/69/70/338136970.db2.gz WTEXXVCCHKVEGJ-YOEHRIQHSA-N 0 0 318.392 3.093 10 30 DGEERN C=CC1CCN(C(=O)NCCc2cc(F)c(F)c(F)c2)CC1 ZINC000504306824 340144759 /nfs/dbraw/zinc/14/47/59/340144759.db2.gz KZKDSTOERCMJFL-UHFFFAOYSA-N 0 0 312.335 3.254 10 30 DGEERN C=C(C)CCSc1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000505474090 340169320 /nfs/dbraw/zinc/16/93/20/340169320.db2.gz MOCGIXPKEHDYAD-UHFFFAOYSA-N 0 0 314.476 3.170 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000506936970 340203931 /nfs/dbraw/zinc/20/39/31/340203931.db2.gz LGTSYDNSQLEBJL-UHFFFAOYSA-N 0 0 308.765 3.333 10 30 DGEERN CC#CCCNC(=O)N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000507374088 340218322 /nfs/dbraw/zinc/21/83/22/340218322.db2.gz XVGKWMBWLQDMPM-QGZVFWFLSA-N 0 0 306.356 3.128 10 30 DGEERN Cc1c(Cl)cccc1OCC(=O)NCC1CCC(C#N)CC1 ZINC000508349187 340242681 /nfs/dbraw/zinc/24/26/81/340242681.db2.gz VPSDEIWAGRHPLJ-UHFFFAOYSA-N 0 0 320.820 3.473 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000508465225 340244200 /nfs/dbraw/zinc/24/42/00/340244200.db2.gz PDIHEUSCLPFHET-HZPDHXFCSA-N 0 0 323.444 3.461 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N1CCO[C@H](C)C1 ZINC000508843504 340254273 /nfs/dbraw/zinc/25/42/73/340254273.db2.gz DHINYSAMCOYEEO-OAHLLOKOSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC000508889965 340255326 /nfs/dbraw/zinc/25/53/26/340255326.db2.gz VFKZEMGYAMXXQX-GJZGRUSLSA-N 0 0 306.454 3.056 10 30 DGEERN C=CC1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173301289 340361900 /nfs/dbraw/zinc/36/19/00/340361900.db2.gz ZDMMRUVEMLDOQO-CABCVRRESA-N 0 0 322.449 3.104 10 30 DGEERN C=C(CNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000512674158 340372410 /nfs/dbraw/zinc/37/24/10/340372410.db2.gz VFCZCPZHQMJMEQ-MSOLQXFVSA-N 0 0 314.429 3.158 10 30 DGEERN O=c1c(Cl)c(Cl)cnn1CC#Cc1ccc(Cl)cc1 ZINC000177469983 340440748 /nfs/dbraw/zinc/44/07/48/340440748.db2.gz VPMWIZKZIAYITG-UHFFFAOYSA-N 0 0 313.571 3.255 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N1CC[C@H](C)[C@@H]1CC ZINC000517204427 340465356 /nfs/dbraw/zinc/46/53/56/340465356.db2.gz VHAOYBNKGVNMFA-ZFWWWQNUSA-N 0 0 311.433 3.459 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)Cc1nc([C@@H](C)SCC)no1 ZINC000185886976 340506197 /nfs/dbraw/zinc/50/61/97/340506197.db2.gz AZKYHLFHVPSRNM-NWDGAFQWSA-N 0 0 311.451 3.444 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(CC(F)(F)F)CC1(C)C ZINC000185995030 340507316 /nfs/dbraw/zinc/50/73/16/340507316.db2.gz MKECFRCRXSOZOC-LBPRGKRZSA-N 0 0 306.372 3.074 10 30 DGEERN C=CCNC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000189688701 340539369 /nfs/dbraw/zinc/53/93/69/340539369.db2.gz GOUMRHNXYJKGII-UHFFFAOYSA-N 0 0 302.296 3.306 10 30 DGEERN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190448753 340545212 /nfs/dbraw/zinc/54/52/12/340545212.db2.gz APUAHEAYUIPYJI-UHFFFAOYSA-N 0 0 321.373 3.216 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000128443575 340886276 /nfs/dbraw/zinc/88/62/76/340886276.db2.gz ICKPJEBSQPAUPG-AWEZNQCLSA-N 0 0 302.418 3.234 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000129212133 340951190 /nfs/dbraw/zinc/95/11/90/340951190.db2.gz CEHDMUKTLNZTSL-INIZCTEOSA-N 0 0 316.792 3.194 10 30 DGEERN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)C1CC1 ZINC000564262967 341027392 /nfs/dbraw/zinc/02/73/92/341027392.db2.gz VKPMZYBJNJKIHD-UHFFFAOYSA-N 0 0 307.401 3.382 10 30 DGEERN C=CCC[C@H](NC(=O)N(C[C@H](C)O)C(C)C)c1ccccc1 ZINC000130987133 341055781 /nfs/dbraw/zinc/05/57/81/341055781.db2.gz VRFYULIUEVMZSR-RDJZCZTQSA-N 0 0 304.434 3.495 10 30 DGEERN Cc1cc(C(=O)Nc2ccn(CCC#N)n2)c(Cl)cc1F ZINC000131132514 341062316 /nfs/dbraw/zinc/06/23/16/341062316.db2.gz JGJKZSFSMDFLJP-UHFFFAOYSA-N 0 0 306.728 3.150 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000545230546 341115913 /nfs/dbraw/zinc/11/59/13/341115913.db2.gz CLYFXSONVBWJCT-CYBMUJFWSA-N 0 0 309.431 3.410 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2cccc(-n3cccn3)c2)no1)OCC ZINC000545695499 341136736 /nfs/dbraw/zinc/13/67/36/341136736.db2.gz IGFVXFNLAAOYDU-MRXNPFEDSA-N 0 0 324.384 3.446 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NCCCCSC ZINC000077664254 341228419 /nfs/dbraw/zinc/22/84/19/341228419.db2.gz AGZAPYDZLCDLPK-UHFFFAOYSA-N 0 0 308.447 3.194 10 30 DGEERN CC(C)CCn1nccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000547993539 341242600 /nfs/dbraw/zinc/24/26/00/341242600.db2.gz UTVHSECNBKCRJE-UHFFFAOYSA-N 0 0 303.410 3.087 10 30 DGEERN C=CCn1c(CC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC000548951427 341282072 /nfs/dbraw/zinc/28/20/72/341282072.db2.gz HBQWVIMQOPEWGI-ZDUSSCGKSA-N 0 0 317.462 3.175 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(CC#N)CC1 ZINC000549685584 341300539 /nfs/dbraw/zinc/30/05/39/341300539.db2.gz PKICRNLWBJISTG-UHFFFAOYSA-N 0 0 311.389 3.244 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000549803944 341303402 /nfs/dbraw/zinc/30/34/02/341303402.db2.gz PTBBCFIINBDUET-QZTJIDSGSA-N 0 0 301.430 3.449 10 30 DGEERN C=C(C)[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000248834941 341388150 /nfs/dbraw/zinc/38/81/50/341388150.db2.gz CQDGXRMQFAIVJF-GHJWDPDVSA-N 0 0 309.356 3.371 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O[C@@H](C#N)C(C)(C)C)C1 ZINC000248950506 341390675 /nfs/dbraw/zinc/39/06/75/341390675.db2.gz ZTTWQRAHXJBILK-UPJWGTAASA-N 0 0 324.421 3.161 10 30 DGEERN CC[C@H](CC#N)OC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000249270616 341395637 /nfs/dbraw/zinc/39/56/37/341395637.db2.gz JBCZUKUZVBGRCS-BFHYXJOUSA-N 0 0 324.421 3.305 10 30 DGEERN C=CCn1c(SCc2coc(C)n2)nnc1-c1ccncc1 ZINC000567181089 341584643 /nfs/dbraw/zinc/58/46/43/341584643.db2.gz UNBLYWADJQZKCG-UHFFFAOYSA-N 0 0 313.386 3.115 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)Cc1ccon1 ZINC000573316295 341724751 /nfs/dbraw/zinc/72/47/51/341724751.db2.gz OOXBRJBLDXTVBE-CYBMUJFWSA-N 0 0 319.434 3.047 10 30 DGEERN C=CCN1C(=O)N([C@H](C)C(C)(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000573449879 341728756 /nfs/dbraw/zinc/72/87/56/341728756.db2.gz VOIMIISDCRKXEV-ZBFHGGJFSA-N 0 0 314.429 3.483 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1C[C@H](C)CC[C@H]1C ZINC000576345802 341841531 /nfs/dbraw/zinc/84/15/31/341841531.db2.gz PPIXRVYWYBXWDC-GHMZBOCLSA-N 0 0 302.344 3.194 10 30 DGEERN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCS[C@H](C)C1 ZINC000576363895 341842719 /nfs/dbraw/zinc/84/27/19/341842719.db2.gz IFPXAEFJYOSWLO-CYBMUJFWSA-N 0 0 308.495 3.385 10 30 DGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)[C@H](C)CO ZINC000250999270 500915313 /nfs/dbraw/zinc/91/53/13/500915313.db2.gz PALIBQUNQFMPAA-UPJWGTAASA-N 0 0 321.446 3.077 10 30 DGEERN COc1cc(CN2CCC(C)(C#N)CC2)cc(Cl)c1OC ZINC000356950721 533800930 /nfs/dbraw/zinc/80/09/30/533800930.db2.gz XFUYRCHERINCRM-UHFFFAOYSA-N 0 0 308.809 3.483 10 30 DGEERN C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442181209 534028269 /nfs/dbraw/zinc/02/82/69/534028269.db2.gz KYZSBSUOPKGSSU-SCZZXKLOSA-N 0 0 313.279 3.234 10 30 DGEERN COc1ccccc1CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182466993 534045722 /nfs/dbraw/zinc/04/57/22/534045722.db2.gz CDGOGHUNYMZRBO-UHFFFAOYSA-N 0 0 320.392 3.223 10 30 DGEERN C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000329534452 534142042 /nfs/dbraw/zinc/14/20/42/534142042.db2.gz KVJIKYMPBHFYSE-OCCSQVGLSA-N 0 0 304.390 3.426 10 30 DGEERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000172973629 534158715 /nfs/dbraw/zinc/15/87/15/534158715.db2.gz XXKGQWKWFDFPRE-HNNXBMFYSA-N 0 0 308.381 3.088 10 30 DGEERN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014044 534222222 /nfs/dbraw/zinc/22/22/22/534222222.db2.gz FDQURPPWXREAPV-KGLIPLIRSA-N 0 0 317.458 3.361 10 30 DGEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000169267194 534227911 /nfs/dbraw/zinc/22/79/11/534227911.db2.gz PMHUTONIKXUXPA-JTQLQIEISA-N 0 0 324.789 3.153 10 30 DGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000440989276 534228722 /nfs/dbraw/zinc/22/87/22/534228722.db2.gz SPOCJHMMGOGADI-XVSSEFHLSA-N 0 0 317.355 3.299 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000123677506 518194884 /nfs/dbraw/zinc/19/48/84/518194884.db2.gz CBLXPDYCSPGANH-UHFFFAOYSA-N 0 0 313.376 3.477 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000455389499 534505658 /nfs/dbraw/zinc/50/56/58/534505658.db2.gz UNSPMBXHINZNPK-UHFFFAOYSA-N 0 0 301.434 3.491 10 30 DGEERN C=CC(C)(C)CNC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000455383619 534508534 /nfs/dbraw/zinc/50/85/34/534508534.db2.gz KYECWOYEFRQTPR-LJQANCHMSA-N 0 0 314.429 3.430 10 30 DGEERN C=CC(C)(C)CNC(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000454991667 534510877 /nfs/dbraw/zinc/51/08/77/534510877.db2.gz CRFHNQHUDSNIKB-UHFFFAOYSA-N 0 0 315.339 3.154 10 30 DGEERN C=CC1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000472109756 534532175 /nfs/dbraw/zinc/53/21/75/534532175.db2.gz DAMFSLUPMWDUFQ-UHFFFAOYSA-N 0 0 317.813 3.374 10 30 DGEERN C=CCC(C)(C)CNC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000458808357 534546204 /nfs/dbraw/zinc/54/62/04/534546204.db2.gz IDZFNLBQEPAHFE-UHFFFAOYSA-N 0 0 308.466 3.315 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000494904485 534550215 /nfs/dbraw/zinc/55/02/15/534550215.db2.gz RONPRKOSHIJKSO-GDBMZVCRSA-N 0 0 300.402 3.487 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000494904488 534550812 /nfs/dbraw/zinc/55/08/12/534550812.db2.gz RONPRKOSHIJKSO-ZBFHGGJFSA-N 0 0 300.402 3.487 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1cc(C)ccc1C ZINC000455433225 534565000 /nfs/dbraw/zinc/56/50/00/534565000.db2.gz ZQCOJPRTFVKDIR-SJORKVTESA-N 0 0 302.418 3.178 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCC([C@H]4CCCO4)CC3)cc2)CC1 ZINC000191157334 534572786 /nfs/dbraw/zinc/57/27/86/534572786.db2.gz NUNAXWAUSAFBKK-GOSISDBHSA-N 0 0 324.424 3.273 10 30 DGEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000330285196 534575232 /nfs/dbraw/zinc/57/52/32/534575232.db2.gz YNUOJORIKLGCHH-RAIGVLPGSA-N 0 0 324.446 3.218 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000376576888 534579514 /nfs/dbraw/zinc/57/95/14/534579514.db2.gz VZKULFBCXSCDNY-VMBOVVBDSA-N 0 0 312.417 3.258 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C)cc(OCCO)c2)CCCC1 ZINC000451228587 534592527 /nfs/dbraw/zinc/59/25/27/534592527.db2.gz IVICLZFYYLIMMK-UHFFFAOYSA-N 0 0 303.402 3.441 10 30 DGEERN N#CCCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000170886198 534598801 /nfs/dbraw/zinc/59/88/01/534598801.db2.gz XXFJOCJJHDTJSP-UHFFFAOYSA-N 0 0 314.364 3.069 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000452911292 534605753 /nfs/dbraw/zinc/60/57/53/534605753.db2.gz APSKGRQNMPREMN-ZCDTZLGTSA-N 0 0 323.795 3.432 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000456142822 534620204 /nfs/dbraw/zinc/62/02/04/534620204.db2.gz FODJXGNFGYKHIZ-SFHVURJKSA-N 0 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ZINC000424670180 526434629 /nfs/dbraw/zinc/43/46/29/526434629.db2.gz DREDCSHHBZKGEZ-HNNXBMFYSA-N 0 0 316.445 3.383 10 30 DGEERN C=C(C)CCSCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000350750757 526458833 /nfs/dbraw/zinc/45/88/33/526458833.db2.gz YFGMJZRZXBNQLX-UHFFFAOYSA-N 0 0 322.449 3.174 10 30 DGEERN C=C(C)CCSCCOc1cccc(S(C)(=O)=O)c1 ZINC000285188807 526461162 /nfs/dbraw/zinc/46/11/62/526461162.db2.gz VEVYIGLKWYCLEC-UHFFFAOYSA-N 0 0 300.445 3.168 10 30 DGEERN C=C(C)CCc1noc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000285051491 526468744 /nfs/dbraw/zinc/46/87/44/526468744.db2.gz HPLYYGIVIYUFSS-AWEZNQCLSA-N 0 0 311.385 3.407 10 30 DGEERN C=C(C)CN(CC)C(=O)C(=O)Nc1c(C)c(C)ccc1Cl ZINC000411338925 526515215 /nfs/dbraw/zinc/51/52/15/526515215.db2.gz KYFASAUDCPUUBB-UHFFFAOYSA-N 0 0 308.809 3.320 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 ZINC000119460333 526537454 /nfs/dbraw/zinc/53/74/54/526537454.db2.gz XAETUKABKBMXOL-GFCCVEGCSA-N 0 0 301.390 3.361 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)nc1C ZINC000352798940 526559573 /nfs/dbraw/zinc/55/95/73/526559573.db2.gz KYGNSCOGNKGNLX-UHFFFAOYSA-N 0 0 300.402 3.362 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)c1nc(CC(C)C)ns1 ZINC000343634285 526562584 /nfs/dbraw/zinc/56/25/84/526562584.db2.gz UVAXOYKUBBBLCY-UHFFFAOYSA-N 0 0 321.446 3.405 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000342545089 526571069 /nfs/dbraw/zinc/57/10/69/526571069.db2.gz QOHNIDLNXSBSTG-INIZCTEOSA-N 0 0 319.449 3.326 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000127865207 526645650 /nfs/dbraw/zinc/64/56/50/526645650.db2.gz PCBMNWBHCBKLGK-KRWDZBQOSA-N 0 0 314.385 3.261 10 30 DGEERN C=C(C)COCCNC(=O)c1sc2nccc(C)c2c1C ZINC000355363914 526654651 /nfs/dbraw/zinc/65/46/51/526654651.db2.gz CBBSAROYQNEQQM-UHFFFAOYSA-N 0 0 304.415 3.236 10 30 DGEERN C=C(C)COc1cc(CNc2cn(C)nc2OC)ccc1OC ZINC000353239811 526663260 /nfs/dbraw/zinc/66/32/60/526663260.db2.gz RSLZARZICMXEBW-UHFFFAOYSA-N 0 0 317.389 3.004 10 30 DGEERN C=C(C)COc1cccc(NC(=O)Nc2cn(C)nc2OC)c1 ZINC000353966539 526669776 /nfs/dbraw/zinc/66/97/76/526669776.db2.gz NKSUAPQDHYFMGY-UHFFFAOYSA-N 0 0 316.361 3.028 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 ZINC000367489744 526669834 /nfs/dbraw/zinc/66/98/34/526669834.db2.gz KZCHLJDDYRTATN-UHFFFAOYSA-N 0 0 323.436 3.139 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000376607446 526670350 /nfs/dbraw/zinc/67/03/50/526670350.db2.gz XOZLSUDHVSLKAL-UHFFFAOYSA-N 0 0 309.384 3.494 10 30 DGEERN C#CCCCC(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 ZINC000368996941 526679972 /nfs/dbraw/zinc/67/99/72/526679972.db2.gz YHEFUJRBDZXBMH-AWEZNQCLSA-N 0 0 303.406 3.440 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000342359399 526692305 /nfs/dbraw/zinc/69/23/05/526692305.db2.gz PYQMBIQCNVPPRN-OAHLLOKOSA-N 0 0 300.402 3.136 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000343392028 526692525 /nfs/dbraw/zinc/69/25/25/526692525.db2.gz VNRKSOWVLJGHEQ-MRXNPFEDSA-N 0 0 308.466 3.228 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(F)cc1CSC ZINC000346246708 526763186 /nfs/dbraw/zinc/76/31/86/526763186.db2.gz UKXXJPUTXRRNMC-HOTGVXAUSA-N 0 0 323.433 3.286 10 30 DGEERN C=CCOCCNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000371647378 526775452 /nfs/dbraw/zinc/77/54/52/526775452.db2.gz RZXCBKATEYRZRV-OAHLLOKOSA-N 0 0 310.344 3.014 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1nc(C(C)C)cs1 ZINC000435734478 526778353 /nfs/dbraw/zinc/77/83/53/526778353.db2.gz XDGVCPSCRJWYES-YPMHNXCESA-N 0 0 309.435 3.369 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000408411680 526788098 /nfs/dbraw/zinc/78/80/98/526788098.db2.gz JSWISBGIAYQVBB-WDEREUQCSA-N 0 0 312.460 3.016 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000408411678 526788850 /nfs/dbraw/zinc/78/88/50/526788850.db2.gz JSWISBGIAYQVBB-MNOVXSKESA-N 0 0 312.460 3.016 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)[C@@H]1COc2ccccc21)OCC ZINC000339487620 526815775 /nfs/dbraw/zinc/81/57/75/526815775.db2.gz MKRCTSJXIIEGMZ-KMFMINBZSA-N 0 0 303.402 3.039 10 30 DGEERN C=CCOCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000345897237 526817576 /nfs/dbraw/zinc/81/75/76/526817576.db2.gz XWILDHUZWWOMIL-UHFFFAOYSA-N 0 0 312.272 3.049 10 30 DGEERN C=CCOc1ccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)cc1 ZINC000442670353 526831458 /nfs/dbraw/zinc/83/14/58/526831458.db2.gz FBPOZQPZDCPOCX-SWLSCSKDSA-N 0 0 300.358 3.441 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1nc(C(C)C)cs1 ZINC000435734476 526831930 /nfs/dbraw/zinc/83/19/30/526831930.db2.gz XDGVCPSCRJWYES-DGCLKSJQSA-N 0 0 309.435 3.369 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1csc2ccccc12 ZINC000345937524 526841247 /nfs/dbraw/zinc/84/12/47/526841247.db2.gz TZLDRPAWSQYJKZ-GDBMZVCRSA-N 0 0 301.411 3.499 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000362784556 526842767 /nfs/dbraw/zinc/84/27/67/526842767.db2.gz CYPROBHIYSQMBG-IAQYHMDHSA-N 0 0 311.328 3.250 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000353885994 526852012 /nfs/dbraw/zinc/85/20/12/526852012.db2.gz HYUOKPKSRXFUFN-QGZVFWFLSA-N 0 0 310.328 3.385 10 30 DGEERN C=CCOc1ccc(CN(C[C@H](C)C#N)C2CC2)cc1OC ZINC000354044184 526863695 /nfs/dbraw/zinc/86/36/95/526863695.db2.gz GOXNGHRZOVQXPR-CQSZACIVSA-N 0 0 300.402 3.384 10 30 DGEERN C=C(CNC(=O)COc1ccc(C(=O)CC)cc1)c1ccccc1 ZINC000345753136 526865753 /nfs/dbraw/zinc/86/57/53/526865753.db2.gz UHMZHMMWJFGZME-UHFFFAOYSA-N 0 0 323.392 3.488 10 30 DGEERN C=C(CNC(=O)N1CC[C@H](Cc2ccncc2)C1)c1ccccc1 ZINC000377020946 526868894 /nfs/dbraw/zinc/86/88/94/526868894.db2.gz SIOOCSHGJRFHFE-GOSISDBHSA-N 0 0 321.424 3.369 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2c(C)noc2CC)cc1 ZINC000359093073 526882715 /nfs/dbraw/zinc/88/27/15/526882715.db2.gz BRUWQUNRWSXMDT-UHFFFAOYSA-N 0 0 300.358 3.040 10 30 DGEERN C=CCOc1ccc(CNc2c(C)nn(CCOC)c2C)cc1 ZINC000353370370 526891882 /nfs/dbraw/zinc/89/18/82/526891882.db2.gz HDASHPSZZNSROP-UHFFFAOYSA-N 0 0 315.417 3.323 10 30 DGEERN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000194682171 526906147 /nfs/dbraw/zinc/90/61/47/526906147.db2.gz ZVZHGHXRUPRDLM-QGZVFWFLSA-N 0 0 324.355 3.104 10 30 DGEERN C=C1CCN(c2nnc(CCC(C)C)n2C[C@H]2CCCO2)CC1 ZINC000339020625 526908843 /nfs/dbraw/zinc/90/88/43/526908843.db2.gz IREKPSVPNIBESP-MRXNPFEDSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCOc1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 ZINC000347209018 526918699 /nfs/dbraw/zinc/91/86/99/526918699.db2.gz DQGZEDZIERNFPX-UHFFFAOYSA-N 0 0 320.352 3.084 10 30 DGEERN C=CCOc1ccccc1-c1nc(-c2cccnc2OC)no1 ZINC000346054781 526921291 /nfs/dbraw/zinc/92/12/91/526921291.db2.gz CUMXXPUXGFXFAQ-UHFFFAOYSA-N 0 0 309.325 3.372 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000174492959 526926673 /nfs/dbraw/zinc/92/66/73/526926673.db2.gz PWDCPYKNFSQECJ-SFHVURJKSA-N 0 0 305.418 3.168 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(CNC(N)=O)cc1 ZINC000354202606 526952676 /nfs/dbraw/zinc/95/26/76/526952676.db2.gz DBBACEPODXKYRC-UHFFFAOYSA-N 0 0 311.385 3.032 10 30 DGEERN C=CCOc1cccnc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000357110837 526959380 /nfs/dbraw/zinc/95/93/80/526959380.db2.gz ZSOFVZPWBYFOMO-UHFFFAOYSA-N 0 0 320.392 3.334 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000176241202 526994015 /nfs/dbraw/zinc/99/40/15/526994015.db2.gz BISSHOKPBBIPFW-NSHDSACASA-N 0 0 312.410 3.114 10 30 DGEERN C=CCSc1ccccc1C(=O)NCc1oc(C)nc1C ZINC000425300292 527010592 /nfs/dbraw/zinc/01/05/92/527010592.db2.gz DUHHYLLPQZPVJO-UHFFFAOYSA-N 0 0 302.399 3.500 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000352495231 527015247 /nfs/dbraw/zinc/01/52/47/527015247.db2.gz JTQKQEKHOXRGHA-UHFFFAOYSA-N 0 0 318.392 3.285 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190369055 527023997 /nfs/dbraw/zinc/02/39/97/527023997.db2.gz UFLPDODYISBSME-UHFFFAOYSA-N 0 0 305.447 3.314 10 30 DGEERN C=CCC(CC=C)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000150724363 527027328 /nfs/dbraw/zinc/02/73/28/527027328.db2.gz AGBJFFOQOOHJRJ-UHFFFAOYSA-N 0 0 313.445 3.243 10 30 DGEERN C=CC[C@@H](C)NC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000340157041 527029409 /nfs/dbraw/zinc/02/94/09/527029409.db2.gz ABOSPUPRKAKLBV-RHSMWYFYSA-N 0 0 303.402 3.004 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000337083568 527050910 /nfs/dbraw/zinc/05/09/10/527050910.db2.gz BPTFGJVDGVPHIG-SNVBAGLBSA-N 0 0 302.296 3.107 10 30 DGEERN C=CCC1(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000424586594 527053591 /nfs/dbraw/zinc/05/35/91/527053591.db2.gz FOZUGPHFBVAVIW-HOTGVXAUSA-N 0 0 309.450 3.071 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)Cc2ccc(C)s2)CCOCC1 ZINC000424674631 527056434 /nfs/dbraw/zinc/05/64/34/527056434.db2.gz DLLSCLRUMIEYQZ-ZDUSSCGKSA-N 0 0 307.459 3.477 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CSc3ccccc32)CCOCC1 ZINC000424687311 527057815 /nfs/dbraw/zinc/05/78/15/527057815.db2.gz VIJXFBZJTHNUCF-CQSZACIVSA-N 0 0 303.427 3.323 10 30 DGEERN C=CCC1(C(=O)Nc2cc(NC(C)=O)ccc2C)CCOCC1 ZINC000424588096 527060078 /nfs/dbraw/zinc/06/00/78/527060078.db2.gz VHIVNESPCHHGSV-UHFFFAOYSA-N 0 0 316.401 3.265 10 30 DGEERN C=CCC1(C(=O)Nc2cc(F)c(OC)c(F)c2)CCOCC1 ZINC000424594875 527061121 /nfs/dbraw/zinc/06/11/21/527061121.db2.gz MGOKSCXOSVVTQJ-UHFFFAOYSA-N 0 0 311.328 3.285 10 30 DGEERN C=CCC1(c2nc(-c3ccccc3OC)no2)CCOCC1 ZINC000424220003 527065304 /nfs/dbraw/zinc/06/53/04/527065304.db2.gz FZZWFFPVDKNPDA-UHFFFAOYSA-N 0 0 300.358 3.370 10 30 DGEERN C=CC[C@@H](CO)CNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000432155969 527073126 /nfs/dbraw/zinc/07/31/26/527073126.db2.gz MOSBBTGKKHSARJ-MRVPVSSYSA-N 0 0 306.164 3.047 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000346316619 527091223 /nfs/dbraw/zinc/09/12/23/527091223.db2.gz BESRKYFUQWJPEQ-CABCVRRESA-N 0 0 316.445 3.078 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000183314633 527093440 /nfs/dbraw/zinc/09/34/40/527093440.db2.gz MYMVODLEYRGMDJ-ZFWWWQNUSA-N 0 0 322.474 3.484 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000183321824 527094211 /nfs/dbraw/zinc/09/42/11/527094211.db2.gz HZLIHWFBZNDLNA-HOTGVXAUSA-N 0 0 322.836 3.417 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000183658705 527095318 /nfs/dbraw/zinc/09/53/18/527095318.db2.gz JXJDWYLKHUTDHY-AWEZNQCLSA-N 0 0 304.390 3.067 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1OC1CCCC1 ZINC000184143280 527096104 /nfs/dbraw/zinc/09/61/04/527096104.db2.gz BQFZGNRTKHUXDO-ZDUSSCGKSA-N 0 0 304.390 3.067 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1NC1CCCCC1 ZINC000410066458 527100571 /nfs/dbraw/zinc/10/05/71/527100571.db2.gz YOQOZSULYPWLQQ-HNNXBMFYSA-N 0 0 302.418 3.098 10 30 DGEERN C=CCCCCCN(C)C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000351438858 527123572 /nfs/dbraw/zinc/12/35/72/527123572.db2.gz FSGOXOMJESQXFJ-SFHVURJKSA-N 0 0 316.445 3.459 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000116970849 527126861 /nfs/dbraw/zinc/12/68/61/527126861.db2.gz VSULGHDJWRPBFR-ZDUSSCGKSA-N 0 0 306.381 3.343 10 30 DGEERN C=CCCCCCN(C)S(=O)(=O)c1nc(C)c(C)s1 ZINC000435226225 527130096 /nfs/dbraw/zinc/13/00/96/527130096.db2.gz NOWGIVCQMRWBNW-UHFFFAOYSA-N 0 0 302.465 3.127 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000330826297 527142731 /nfs/dbraw/zinc/14/27/31/527142731.db2.gz RJNRJCDKHOQZNA-LSDHHAIUSA-N 0 0 304.438 3.180 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000346917593 527155682 /nfs/dbraw/zinc/15/56/82/527155682.db2.gz ZMOWPISYNPAJKX-LBPRGKRZSA-N 0 0 306.797 3.142 10 30 DGEERN C=CCCCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000368414828 527162952 /nfs/dbraw/zinc/16/29/52/527162952.db2.gz VZJXGILBQQKYTI-KRWDZBQOSA-N 0 0 324.428 3.071 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000443132796 527183319 /nfs/dbraw/zinc/18/33/19/527183319.db2.gz MLGVXUHHPJTWKY-JTQLQIEISA-N 0 0 319.298 3.067 10 30 DGEERN C=CCCCN(C)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000127574067 527185088 /nfs/dbraw/zinc/18/50/88/527185088.db2.gz LQKCIYUXMONLMJ-UHFFFAOYSA-N 0 0 307.341 3.270 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000293294284 527186055 /nfs/dbraw/zinc/18/60/55/527186055.db2.gz DMBQIINHPRJSBM-DOMZBBRYSA-N 0 0 308.447 3.358 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433701098 527187095 /nfs/dbraw/zinc/18/70/95/527187095.db2.gz YTDJRLCLTKKGCK-UHFFFAOYSA-N 0 0 319.405 3.003 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 ZINC000092410804 527189533 /nfs/dbraw/zinc/18/95/33/527189533.db2.gz GOFFADRDPQCXTN-UHFFFAOYSA-N 0 0 313.401 3.228 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000185745685 527193158 /nfs/dbraw/zinc/19/31/58/527193158.db2.gz FNFIEISIYDZEJC-OAHLLOKOSA-N 0 0 307.821 3.205 10 30 DGEERN C=CCCCN1C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C1=O ZINC000358800269 527196409 /nfs/dbraw/zinc/19/64/09/527196409.db2.gz LWQYOUSSWHHTKQ-RDJZCZTQSA-N 0 0 312.413 3.383 10 30 DGEERN C=CCCCN1C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C1=O ZINC000358800283 527197885 /nfs/dbraw/zinc/19/78/85/527197885.db2.gz LWQYOUSSWHHTKQ-WBVHZDCISA-N 0 0 312.413 3.383 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000183314651 527200425 /nfs/dbraw/zinc/20/04/25/527200425.db2.gz MYMVODLEYRGMDJ-UKRRQHHQSA-N 0 0 322.474 3.484 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000184465911 527202514 /nfs/dbraw/zinc/20/25/14/527202514.db2.gz VFIGNONFIWCEOU-GFCCVEGCSA-N 0 0 312.797 3.187 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000184975640 527202887 /nfs/dbraw/zinc/20/28/87/527202887.db2.gz DHBUKTHDBKNPRG-OAHLLOKOSA-N 0 0 301.390 3.110 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(SC)c1 ZINC000417269653 527203030 /nfs/dbraw/zinc/20/30/30/527203030.db2.gz BTIRQRDSCHZHOZ-SNVBAGLBSA-N 0 0 300.811 3.120 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000185221354 527204316 /nfs/dbraw/zinc/20/43/16/527204316.db2.gz DMCDCAYEFXCRND-CHWSQXEVSA-N 0 0 319.430 3.139 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000185873656 527206912 /nfs/dbraw/zinc/20/69/12/527206912.db2.gz MNBRQUUQCUDPLE-CQSZACIVSA-N 0 0 310.397 3.087 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1ncccc1C ZINC000413595895 527217365 /nfs/dbraw/zinc/21/73/65/527217365.db2.gz SNKPDLUQEVOYEF-GOSISDBHSA-N 0 0 323.440 3.419 10 30 DGEERN C=CCCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000344601850 527223235 /nfs/dbraw/zinc/22/32/35/527223235.db2.gz OOOYVVHRDCDQMN-UHFFFAOYSA-N 0 0 301.346 3.042 10 30 DGEERN C=CCc1cc(C(=O)N2CC(C)=C[C@H](C)C2)cc(OC)c1OC ZINC000435270887 527230262 /nfs/dbraw/zinc/23/02/62/527230262.db2.gz WCVBEULTROVEDX-ZDUSSCGKSA-N 0 0 315.413 3.471 10 30 DGEERN C=CCCCNC(=O)c1ccccc1SCc1nc(C)no1 ZINC000344463163 527230573 /nfs/dbraw/zinc/23/05/73/527230573.db2.gz MWGJFBIKOWPAGA-UHFFFAOYSA-N 0 0 317.414 3.366 10 30 DGEERN C=CCCCS(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431625484 527246484 /nfs/dbraw/zinc/24/64/84/527246484.db2.gz ZRWKUXOBNNFJRJ-MRXNPFEDSA-N 0 0 306.431 3.307 10 30 DGEERN CC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c(F)c1 ZINC000347229737 527259159 /nfs/dbraw/zinc/25/91/59/527259159.db2.gz HYSZLJAIPBLUIP-INIZCTEOSA-N 0 0 314.291 3.162 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CCS(=O)CC1 ZINC000191418796 527259382 /nfs/dbraw/zinc/25/93/82/527259382.db2.gz FQHDYNIDQCVADK-UHFFFAOYSA-N 0 0 320.458 3.135 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000179795565 527260197 /nfs/dbraw/zinc/26/01/97/527260197.db2.gz HMMXPYLIMOVWPH-DOMZBBRYSA-N 0 0 318.442 3.351 10 30 DGEERN C=CCc1ccccc1OCc1noc(C)c1C(=O)OCC ZINC000351918508 527265993 /nfs/dbraw/zinc/26/59/93/527265993.db2.gz ITVGWVWMDVTJQA-UHFFFAOYSA-N 0 0 301.342 3.467 10 30 DGEERN C=CCn1c(-c2cccnc2)nnc1N1CC2(CCC2)C[C@H]1C ZINC000350798377 527278081 /nfs/dbraw/zinc/27/80/81/527278081.db2.gz PKYDSBIEKVUFSB-CQSZACIVSA-N 0 0 309.417 3.295 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1ccccc1F ZINC000337862531 527279024 /nfs/dbraw/zinc/27/90/24/527279024.db2.gz NZXVYQFQPLLKKC-UHFFFAOYSA-N 0 0 312.348 3.500 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000180325562 527290135 /nfs/dbraw/zinc/29/01/35/527290135.db2.gz YJQJDOZJXQRXOT-DZGCQCFKSA-N 0 0 315.417 3.156 10 30 DGEERN C=CCn1c(COCC)nnc1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000337824735 527324546 /nfs/dbraw/zinc/32/45/46/527324546.db2.gz VBWXECCLMGEBPC-WMLDXEAASA-N 0 0 304.438 3.017 10 30 DGEERN C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000350740338 527327821 /nfs/dbraw/zinc/32/78/21/527327821.db2.gz ANRLVNQWKBHRKG-KBPBESRZSA-N 0 0 300.431 3.105 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000342980433 527332114 /nfs/dbraw/zinc/33/21/14/527332114.db2.gz PNYFSDOLPVAZEJ-SFHVURJKSA-N 0 0 309.450 3.169 10 30 DGEERN C=CCCOCCCCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000342967807 527332356 /nfs/dbraw/zinc/33/23/56/527332356.db2.gz CMDDQXXWOSELAK-HNNXBMFYSA-N 0 0 323.458 3.411 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1ccccc1 ZINC000442894957 527338214 /nfs/dbraw/zinc/33/82/14/527338214.db2.gz CMIVHWUJIAFXMN-UHFFFAOYSA-N 0 0 301.415 3.138 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174083279 527390426 /nfs/dbraw/zinc/39/04/26/527390426.db2.gz IVFMBQRRSBJZJU-CQSZACIVSA-N 0 0 320.408 3.210 10 30 DGEERN C=C[C@@H](CC(=O)NC(C)(C)c1noc(CC)n1)c1ccccc1 ZINC000441712301 527421767 /nfs/dbraw/zinc/42/17/67/527421767.db2.gz GFLPUSCXKIYJBJ-ZDUSSCGKSA-N 0 0 313.401 3.343 10 30 DGEERN C=C[C@@H](CC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000134994090 527421853 /nfs/dbraw/zinc/42/18/53/527421853.db2.gz YVNKHEUHKOLRSL-RDJZCZTQSA-N 0 0 309.413 3.096 10 30 DGEERN CC(=O)c1csc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000182531781 527428149 /nfs/dbraw/zinc/42/81/49/527428149.db2.gz XJIJBTWGVSIUQZ-UHFFFAOYSA-N 0 0 311.366 3.153 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000130949490 527439760 /nfs/dbraw/zinc/43/97/60/527439760.db2.gz AYHOABBVURTQFN-GOSISDBHSA-N 0 0 313.445 3.184 10 30 DGEERN CC(C)(C#N)CCCCN1CCO[C@H](COc2ccccc2)C1 ZINC000444695460 527462035 /nfs/dbraw/zinc/46/20/35/527462035.db2.gz SLAULDRACHFQON-SFHVURJKSA-N 0 0 316.445 3.486 10 30 DGEERN CC(C)(C#N)CCCSc1nnnn1Cc1ccccc1 ZINC000177220383 527466472 /nfs/dbraw/zinc/46/64/72/527466472.db2.gz ISSKLYUYQOPXFB-UHFFFAOYSA-N 0 0 301.419 3.143 10 30 DGEERN C=CCC[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000119084129 527479370 /nfs/dbraw/zinc/47/93/70/527479370.db2.gz UILKOICMDZLRAP-HNNXBMFYSA-N 0 0 324.384 3.010 10 30 DGEERN CC(C)(C#N)CNC(=O)c1cccc(OCc2cscn2)c1 ZINC000359635201 527484557 /nfs/dbraw/zinc/48/45/57/527484557.db2.gz MONNZUSYLGICSE-UHFFFAOYSA-N 0 0 315.398 3.002 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416052187 527484738 /nfs/dbraw/zinc/48/47/38/527484738.db2.gz LRYNRZWBXQAIET-UXLLHSPISA-N 0 0 321.367 3.089 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)cc1OCCC ZINC000425651677 527496178 /nfs/dbraw/zinc/49/61/78/527496178.db2.gz AGNNWSRYAOAIPX-WFASDCNBSA-N 0 0 322.380 3.327 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424932866 527496592 /nfs/dbraw/zinc/49/65/92/527496592.db2.gz OKZZHRJTAKVZJD-RVMXOQNASA-N 0 0 305.340 3.062 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC2(C1)CCCOC2 ZINC000344484754 527505729 /nfs/dbraw/zinc/50/57/29/527505729.db2.gz JXZYWWGSPDDWDI-UHFFFAOYSA-N 0 0 300.402 3.450 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000417092509 527508629 /nfs/dbraw/zinc/50/86/29/527508629.db2.gz FTVCVYIBGJSEFE-GOEBONIOSA-N 0 0 302.418 3.478 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000353485595 527529360 /nfs/dbraw/zinc/52/93/60/527529360.db2.gz CKFSKSRSZUYKPQ-AEFFLSMTSA-N 0 0 309.450 3.023 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cc2cccnc2c(OC)c1 ZINC000341219966 527533435 /nfs/dbraw/zinc/53/34/35/527533435.db2.gz MIUJYCIMSWYUKJ-SFHVURJKSA-N 0 0 314.385 3.411 10 30 DGEERN C=CCN(C(=O)COc1ccc(/C=C/C)cc1OC)C1CC1 ZINC000357512616 527536440 /nfs/dbraw/zinc/53/64/40/527536440.db2.gz QBTDCSQJDXLOOR-GQCTYLIASA-N 0 0 301.386 3.284 10 30 DGEERN C=CCN(C)c1nnc(-c2ccoc2)n1CCc1ccccc1 ZINC000338713833 527578665 /nfs/dbraw/zinc/57/86/65/527578665.db2.gz OBTCYRLWTDFHCC-UHFFFAOYSA-N 0 0 308.385 3.403 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000283280834 527586244 /nfs/dbraw/zinc/58/62/44/527586244.db2.gz DXLOJFXMGOEUMK-CYBMUJFWSA-N 0 0 311.303 3.324 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1[nH]c2ccccc2c1OC ZINC000351583401 527588495 /nfs/dbraw/zinc/58/84/95/527588495.db2.gz PJDAMNJJWJFXLQ-UHFFFAOYSA-N 0 0 312.291 3.367 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccn(C2CCCC2)n1 ZINC000151061386 527588697 /nfs/dbraw/zinc/58/86/97/527588697.db2.gz ZMWVOGCSVPJBRV-UHFFFAOYSA-N 0 0 301.312 3.189 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000427683846 527596025 /nfs/dbraw/zinc/59/60/25/527596025.db2.gz ZFHZJSLIFNOUBO-AWEZNQCLSA-N 0 0 322.355 3.304 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000356334153 527637365 /nfs/dbraw/zinc/63/73/65/527637365.db2.gz BVWDERXROYNYTB-LNSITVRQSA-N 0 0 314.212 3.293 10 30 DGEERN C=CCN(CC=C)c1nnc([C@H]2Cc3ccccc3O2)n1CC ZINC000358604508 527652473 /nfs/dbraw/zinc/65/24/73/527652473.db2.gz YGDFFEAEFPHVOU-MRXNPFEDSA-N 0 0 310.401 3.153 10 30 DGEERN C=CCN(CCC#N)C(=O)CCn1c(CCC)nc2ccccc21 ZINC000359437369 527654155 /nfs/dbraw/zinc/65/41/55/527654155.db2.gz QTPYRWKUJHDHCM-UHFFFAOYSA-N 0 0 324.428 3.307 10 30 DGEERN CC(C)CC[C@](C)(O)CNC(=O)Nc1ccc(F)cc1C#N ZINC000177906026 527861796 /nfs/dbraw/zinc/86/17/96/527861796.db2.gz SRYSBVZFWDKNOJ-INIZCTEOSA-N 0 0 307.369 3.006 10 30 DGEERN CC(C)Oc1cc(F)ccc1NC(=O)N1CC2(C1)CCCOC2 ZINC000329508584 528112338 /nfs/dbraw/zinc/11/23/38/528112338.db2.gz HZEWJXSJEXPLOJ-UHFFFAOYSA-N 0 0 322.380 3.271 10 30 DGEERN CC(C)c1ccc([C@@H](C)NS(=O)(=O)CCCCC#N)cc1 ZINC000068872335 528130458 /nfs/dbraw/zinc/13/04/58/528130458.db2.gz OLJAEMKDUJCLQH-CQSZACIVSA-N 0 0 308.447 3.484 10 30 DGEERN CCO[C@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000181104343 528139073 /nfs/dbraw/zinc/13/90/73/528139073.db2.gz CGNYCEMWAHADQC-IRXDYDNUSA-N 0 0 324.424 3.319 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1(C)CCC1 ZINC000175105033 528638301 /nfs/dbraw/zinc/63/83/01/528638301.db2.gz SMSJBTODZGYTLX-MRXNPFEDSA-N 0 0 300.402 3.268 10 30 DGEERN C=CCOc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1 ZINC000152430427 546003584 /nfs/dbraw/zinc/00/35/84/546003584.db2.gz QDTPNGTVMMKEIY-UHFFFAOYSA-N 0 0 316.426 3.331 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC(=O)N1C ZINC000188074088 546203246 /nfs/dbraw/zinc/20/32/46/546203246.db2.gz CXZCRXHKQNHSFY-HNNXBMFYSA-N 0 0 300.402 3.098 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC(=O)N1C ZINC000188074114 546203272 /nfs/dbraw/zinc/20/32/72/546203272.db2.gz CXZCRXHKQNHSFY-OAHLLOKOSA-N 0 0 300.402 3.098 10 30 DGEERN C[C@H](C[C@H]1CCCO1)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000328721377 546480800 /nfs/dbraw/zinc/48/08/00/546480800.db2.gz WUSOKOXSYKUKEZ-DGCLKSJQSA-N 0 0 300.358 3.203 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)CCC1CCOCC1)CCC2 ZINC000328817811 546481294 /nfs/dbraw/zinc/48/12/94/546481294.db2.gz OCEKBLYLPCVXAB-HNNXBMFYSA-N 0 0 305.422 3.232 10 30 DGEERN Cc1nc([C@H](C)NC(=O)[C@@H]2COCCN2C2CCCC2)cs1 ZINC000329559174 546487659 /nfs/dbraw/zinc/48/76/59/546487659.db2.gz QXAOPHAMPUUERG-NHYWBVRUSA-N 0 0 323.462 3.112 10 30 DGEERN CCc1nccn1[C@H]1CCCN(C(=O)NCC2CCCC2)C1 ZINC000329579018 546487747 /nfs/dbraw/zinc/48/77/47/546487747.db2.gz KRQJYRKOVZCCRW-HNNXBMFYSA-N 0 0 304.438 3.187 10 30 DGEERN Cc1nc([C@H](C)NC(=O)N2CCCC3(CCOCC3)C2)cs1 ZINC000329804600 546492762 /nfs/dbraw/zinc/49/27/62/546492762.db2.gz MFQAMRNCDAFEBP-LBPRGKRZSA-N 0 0 323.462 3.319 10 30 DGEERN C=CCn1c(S[C@H](C)[C@@H](C)O)nnc1-c1cccc(C)c1 ZINC000445589818 546839260 /nfs/dbraw/zinc/83/92/60/546839260.db2.gz XTEOEODPCGVOGU-CHWSQXEVSA-N 0 0 303.431 3.301 10 30 DGEERN C=CCn1c(S[C@@H](C)[C@@H](C)O)nnc1-c1ccccc1F ZINC000445591214 546839525 /nfs/dbraw/zinc/83/95/25/546839525.db2.gz CVTAMGMXIDYTKO-MNOVXSKESA-N 0 0 307.394 3.132 10 30 DGEERN C=C(COC)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960552 549810320 /nfs/dbraw/zinc/81/03/20/549810320.db2.gz RBVLXADAIOTJLO-UHFFFAOYSA-N 0 0 319.401 3.195 10 30 DGEERN OCCCCCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245657 549811304 /nfs/dbraw/zinc/81/13/04/549811304.db2.gz KXOVLRHEEZEMIB-UHFFFAOYSA-N 0 0 307.191 3.230 10 30 DGEERN C#CCOc1cccc(COC(=O)c2cccc(F)c2F)c1 ZINC000730403418 574528664 /nfs/dbraw/zinc/52/86/64/574528664.db2.gz JAFKXTHHFFAHAH-UHFFFAOYSA-N 0 0 302.276 3.334 10 30 DGEERN C#CCOc1cccc(COC(=O)CCc2ccsc2)c1 ZINC000730404443 574528759 /nfs/dbraw/zinc/52/87/59/574528759.db2.gz CHBLYZXJIBUIQL-UHFFFAOYSA-N 0 0 300.379 3.436 10 30 DGEERN C#CCOc1cccc(COC(=O)CCOCc2ccccc2)c1 ZINC000730405613 574528972 /nfs/dbraw/zinc/52/89/72/574528972.db2.gz YTZPEZCAIBPWNY-UHFFFAOYSA-N 0 0 324.376 3.349 10 30 DGEERN C#CCOc1cccc([C@@H](C)OC(=O)C2(C)CCOCC2)c1 ZINC000730701538 574534396 /nfs/dbraw/zinc/53/43/96/574534396.db2.gz NNHVRISHXKDCAP-CQSZACIVSA-N 0 0 302.370 3.120 10 30 DGEERN N#Cc1cccc(Oc2ccc(NC(=O)C3=COCCC3)cn2)c1 ZINC000730745639 574535293 /nfs/dbraw/zinc/53/52/93/574535293.db2.gz PSMUMYVZPAZHQW-UHFFFAOYSA-N 0 0 321.336 3.378 10 30 DGEERN C#CCOc1ccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000730980295 574541055 /nfs/dbraw/zinc/54/10/55/574541055.db2.gz POUKWUFVBYBCFO-UHFFFAOYSA-N 0 0 319.360 3.009 10 30 DGEERN Cc1c(C(=O)/C=C/c2cnn3ccccc23)c(C#N)c2n1CCC2 ZINC000731936788 574563192 /nfs/dbraw/zinc/56/31/92/574563192.db2.gz COGXDCASJGUVOI-BQYQJAHWSA-N 0 0 316.364 3.158 10 30 DGEERN C#CCCCOC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000732496793 574574908 /nfs/dbraw/zinc/57/49/08/574574908.db2.gz CFWKDVGRZDACDG-UHFFFAOYSA-N 0 0 306.321 3.316 10 30 DGEERN C#CCOc1cccc([C@H](C)OC(=O)/C=C\C2CCOCC2)c1 ZINC000732710135 574579797 /nfs/dbraw/zinc/57/97/97/574579797.db2.gz MHERZKRDHRZFJL-LZNQSLFOSA-N 0 0 314.381 3.286 10 30 DGEERN C#CCCNC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC000733246963 574609858 /nfs/dbraw/zinc/60/98/58/574609858.db2.gz GULKFSRYIZERFI-UHFFFAOYSA-N 0 0 319.364 3.260 10 30 DGEERN C#CCCNC(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000733248024 574610100 /nfs/dbraw/zinc/61/01/00/574610100.db2.gz INXONYNUPKKQIB-UHFFFAOYSA-N 0 0 317.186 3.059 10 30 DGEERN C#CCCNC(=O)/C(=C\c1ccccc1OC)c1ccccc1 ZINC000733247550 574610174 /nfs/dbraw/zinc/61/01/74/574610174.db2.gz RKEVDVMAHXKZSG-SDXDJHTJSA-N 0 0 305.377 3.375 10 30 DGEERN C#CCCNC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000733346501 574617398 /nfs/dbraw/zinc/61/73/98/574617398.db2.gz VWQOWMIHLTWKPN-UHFFFAOYSA-N 0 0 315.200 3.085 10 30 DGEERN C#CCCNC(=O)NCC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000733348339 574617453 /nfs/dbraw/zinc/61/74/53/574617453.db2.gz DNEBEGUIVDMKLL-UHFFFAOYSA-N 0 0 316.445 3.322 10 30 DGEERN C#CCCNC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000733357046 574617682 /nfs/dbraw/zinc/61/76/82/574617682.db2.gz PRQLMSWHROFFCL-GFCCVEGCSA-N 0 0 308.784 3.219 10 30 DGEERN C#CCCNC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000733625968 574632657 /nfs/dbraw/zinc/63/26/57/574632657.db2.gz AXNMXTGLQJHACZ-UHFFFAOYSA-N 0 0 307.397 3.468 10 30 DGEERN C#CCCNC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn21 ZINC000733629120 574632667 /nfs/dbraw/zinc/63/26/67/574632667.db2.gz CURWNJZWSLTIIJ-UHFFFAOYSA-N 0 0 318.380 3.455 10 30 DGEERN C#CCCNC(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1 ZINC000733632782 574632775 /nfs/dbraw/zinc/63/27/75/574632775.db2.gz NBHVAIDLOUQRNF-ZDUSSCGKSA-N 0 0 314.414 3.225 10 30 DGEERN C=CCn1c2ccccc2nc1SCC(=C)C(=O)OCC ZINC000733870359 574641105 /nfs/dbraw/zinc/64/11/05/574641105.db2.gz IQQQQXGCFVISFA-UHFFFAOYSA-N 0 0 302.399 3.434 10 30 DGEERN C=C(COC(=O)CCc1ccc(C)c(Cl)c1)C(=O)OCC ZINC000734028316 574647574 /nfs/dbraw/zinc/64/75/74/574647574.db2.gz GHSCJTOJSWTCQH-UHFFFAOYSA-N 0 0 310.777 3.244 10 30 DGEERN C=C(COC(=O)/C=C/c1ccc(Cl)s1)C(=O)OCC ZINC000734026295 574647594 /nfs/dbraw/zinc/64/75/94/574647594.db2.gz KCGCZEGXYMIQMH-FNORWQNLSA-N 0 0 300.763 3.077 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000734166865 574653756 /nfs/dbraw/zinc/65/37/56/574653756.db2.gz GUNYGQXFTUVVEI-ZWKOTPCHSA-N 0 0 320.392 3.054 10 30 DGEERN C=CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccncc1 ZINC000734459681 574662968 /nfs/dbraw/zinc/66/29/68/574662968.db2.gz JLBHQLGZHFZISV-LBPRGKRZSA-N 0 0 317.370 3.407 10 30 DGEERN C=CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccncc1 ZINC000734503237 574665142 /nfs/dbraw/zinc/66/51/42/574665142.db2.gz IGSPWKRRTZIQEP-OAHLLOKOSA-N 0 0 320.389 3.125 10 30 DGEERN C=C(Br)CNC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000734524014 574666491 /nfs/dbraw/zinc/66/64/91/574666491.db2.gz GNTVWMFBUFWBCW-PWSUYJOCSA-N 0 0 303.244 3.411 10 30 DGEERN CCn1c(C)nnc1SCc1cc(Cl)ccc1OCC#N ZINC000735232707 574692134 /nfs/dbraw/zinc/69/21/34/574692134.db2.gz AIYTZQYDNNSPNE-UHFFFAOYSA-N 0 0 322.821 3.455 10 30 DGEERN N#CCOc1ccc(Cl)cc1CSCC(=O)N1CCCC1 ZINC000735318027 574697487 /nfs/dbraw/zinc/69/74/87/574697487.db2.gz IBOSJTUYVYCFSM-UHFFFAOYSA-N 0 0 324.833 3.098 10 30 DGEERN CC(=O)NCCCSCc1cc(Cl)ccc1OCC#N ZINC000735317930 574697540 /nfs/dbraw/zinc/69/75/40/574697540.db2.gz HKPSUXCHDQXTHI-UHFFFAOYSA-N 0 0 312.822 3.002 10 30 DGEERN C=CCNC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N ZINC000735318973 574697684 /nfs/dbraw/zinc/69/76/84/574697684.db2.gz TURZIDVBGVSMCT-LLVKDONJSA-N 0 0 324.833 3.166 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)C1=CC(=O)CS1 ZINC000735351245 574699258 /nfs/dbraw/zinc/69/92/58/574699258.db2.gz WTLWRFCIXCKMLW-UHFFFAOYSA-N 0 0 323.757 3.366 10 30 DGEERN C=CCCCOC(=O)CSCC(=O)N(C)C1CCCCC1 ZINC000735523941 574705023 /nfs/dbraw/zinc/70/50/23/574705023.db2.gz FZKSWIKNLRVVAD-UHFFFAOYSA-N 0 0 313.463 3.020 10 30 DGEERN Cc1cc(CCNC(=O)C2(C#N)CCC2)c(C)n1-c1ccccc1 ZINC000736068162 574730281 /nfs/dbraw/zinc/73/02/81/574730281.db2.gz XKCHKAAKISFMBV-UHFFFAOYSA-N 0 0 321.424 3.447 10 30 DGEERN C=C(Cl)CNC(=O)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000736398911 574747558 /nfs/dbraw/zinc/74/75/58/574747558.db2.gz IVNNSXAIIDKDBA-UHFFFAOYSA-N 0 0 322.836 3.412 10 30 DGEERN C=CCn1c2ccccc2n(CN(C)C[C@@H]2CCCO2)c1=S ZINC000738064479 574858662 /nfs/dbraw/zinc/85/86/62/574858662.db2.gz CEWQZBDDGVBEDP-AWEZNQCLSA-N 0 0 317.458 3.427 10 30 DGEERN FC(F)(F)c1cccc(NN=Cc2cnn3ccccc23)n1 ZINC000739421739 574902799 /nfs/dbraw/zinc/90/27/99/574902799.db2.gz PCFVDGFAEOJZSE-UHFFFAOYSA-N 0 0 305.263 3.194 10 30 DGEERN C#CCSCCNc1ncnc2ccc(Br)cc21 ZINC000739898736 574915406 /nfs/dbraw/zinc/91/54/06/574915406.db2.gz DBVNMJPOXVPIDI-UHFFFAOYSA-N 0 0 322.231 3.171 10 30 DGEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000740025191 574919484 /nfs/dbraw/zinc/91/94/84/574919484.db2.gz DQDYNHMSAKWFMS-AWEZNQCLSA-N 0 0 316.470 3.292 10 30 DGEERN CC(CCC1CCCC1)=NNS(=O)(=O)Cc1ccccc1 ZINC000740761754 574941752 /nfs/dbraw/zinc/94/17/52/574941752.db2.gz JOLSAFTURDTBHL-UHFFFAOYSA-N 0 0 308.447 3.452 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1 ZINC000741557691 574962724 /nfs/dbraw/zinc/96/27/24/574962724.db2.gz XVDFCSCMVLUWPM-SFHVURJKSA-N 0 0 321.376 3.179 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000741557690 574962883 /nfs/dbraw/zinc/96/28/83/574962883.db2.gz XVDFCSCMVLUWPM-GOSISDBHSA-N 0 0 321.376 3.179 10 30 DGEERN Cc1ccc(NN=Cc2cc3c(cc2OC(F)F)OCO3)nc1 ZINC000741761797 574969054 /nfs/dbraw/zinc/96/90/54/574969054.db2.gz OEZBEIDYTCVABB-UHFFFAOYSA-N 0 0 321.283 3.166 10 30 DGEERN C#CCN(CC#CC)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000742002662 574979242 /nfs/dbraw/zinc/97/92/42/574979242.db2.gz GCRJFUPFYSPFEI-LBPRGKRZSA-N 0 0 324.207 3.246 10 30 DGEERN C=CCn1c2ccccc2nc1SC/C=C(/C)C(=O)OC ZINC000742205360 574985345 /nfs/dbraw/zinc/98/53/45/574985345.db2.gz VKSZAWVOZVWYMH-XFXZXTDPSA-N 0 0 302.399 3.434 10 30 DGEERN C#CCOc1ccccc1OCCOCCOc1ccccc1 ZINC000742358307 574992087 /nfs/dbraw/zinc/99/20/87/574992087.db2.gz AFIFUDLXMXDBLD-UHFFFAOYSA-N 0 0 312.365 3.173 10 30 DGEERN C#Cc1ccc(C(=O)OCc2csc(C(C)(C)C)n2)cn1 ZINC000729031006 575210969 /nfs/dbraw/zinc/21/09/69/575210969.db2.gz BSGISRPUVIYAEW-UHFFFAOYSA-N 0 0 300.383 3.174 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000729749828 575262025 /nfs/dbraw/zinc/26/20/25/575262025.db2.gz KRWMTDHONRYVFU-RDBSUJKOSA-N 0 0 309.406 3.284 10 30 DGEERN C[C@@H](NC(=S)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000729821601 575264149 /nfs/dbraw/zinc/26/41/49/575264149.db2.gz PYIXZPUIELTQTH-GFCCVEGCSA-N 0 0 313.401 3.423 10 30 DGEERN C=C(C)CNC(=S)N1CCC(Cc2ccccc2OC)CC1 ZINC000726491082 576027863 /nfs/dbraw/zinc/02/78/63/576027863.db2.gz LEOIURHYKHXKIN-UHFFFAOYSA-N 0 0 318.486 3.400 10 30 DGEERN C#CCOC(=O)c1ccc(-c2ccccc2Br)n1C ZINC000727040024 576097212 /nfs/dbraw/zinc/09/72/12/576097212.db2.gz WLXKRTQPXQNOIS-UHFFFAOYSA-N 0 0 318.170 3.245 10 30 DGEERN C=CCN(C(=O)Nc1ccc(OC)c(OC)c1OC)C(C)C ZINC000727938793 576155622 /nfs/dbraw/zinc/15/56/22/576155622.db2.gz GTGBHHMFTGWDHE-UHFFFAOYSA-N 0 0 308.378 3.141 10 30 DGEERN C=C[C@H](C)NC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000154131525 620642578 /nfs/dbraw/zinc/64/25/78/620642578.db2.gz ZGBDZENWODTDCT-FVWNJDPFSA-N 0 0 301.386 3.113 10 30 DGEERN C=CCc1ccc(OCC(=O)O[C@@H](C#N)C(C)(C)C)c(OC)c1 ZINC000154484441 620681891 /nfs/dbraw/zinc/68/18/91/620681891.db2.gz ZIUGLMJXVRZKQL-INIZCTEOSA-N 0 0 317.385 3.284 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000154619582 620694808 /nfs/dbraw/zinc/69/48/08/620694808.db2.gz PTAUQQWTYZMJOA-SNVBAGLBSA-N 0 0 316.279 3.118 10 30 DGEERN CCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C#N ZINC000757135888 617645646 /nfs/dbraw/zinc/64/56/46/617645646.db2.gz ADYYJZSBNHEWNZ-UHFFFAOYSA-N 0 0 307.144 3.448 10 30 DGEERN N#C[C@H](COC(=O)CC[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000111948769 620771846 /nfs/dbraw/zinc/77/18/46/620771846.db2.gz VSWMFLZUPGAFMK-NVXWUHKLSA-N 0 0 319.376 3.400 10 30 DGEERN C=CCOCCCC(=O)OCc1cc(-c2ccccc2)n[nH]1 ZINC000123680998 618513908 /nfs/dbraw/zinc/51/39/08/618513908.db2.gz GVDOHGOPOOPXEV-UHFFFAOYSA-N 0 0 300.358 3.103 10 30 DGEERN C#CCOc1ccccc1OCc1csc(N(C)C2CC2)n1 ZINC000151540457 620457876 /nfs/dbraw/zinc/45/78/76/620457876.db2.gz TYEFMKGDRXXFMW-UHFFFAOYSA-N 0 0 314.410 3.333 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)OCCSC(C)(C)C ZINC000112763539 620851626 /nfs/dbraw/zinc/85/16/26/620851626.db2.gz DEFNDYYIHONVFN-GFCCVEGCSA-N 0 0 307.415 3.400 10 30 DGEERN CC(C)(C)SCC(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000112832485 620856756 /nfs/dbraw/zinc/85/67/56/620856756.db2.gz PCYKPTZQYNPYRD-UHFFFAOYSA-N 0 0 314.414 3.214 10 30 DGEERN C=CCc1ccccc1OC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000103329552 621348463 /nfs/dbraw/zinc/34/84/63/621348463.db2.gz UFEFUFYPTCHWLR-UHFFFAOYSA-N 0 0 309.365 3.336 10 30 DGEERN CC(C)CCN(CCC#N)S(=O)(=O)/C=C/c1ccccc1 ZINC000103496202 621696263 /nfs/dbraw/zinc/69/62/63/621696263.db2.gz KBLOIKAWMQSRGI-GXDHUFHOSA-N 0 0 306.431 3.249 10 30 DGEERN N#Cc1ccc(C2=NNC(=NCc3ccccc3)SC2)cc1 ZINC000015405062 621844939 /nfs/dbraw/zinc/84/49/39/621844939.db2.gz YTIZDXRWXOPWIN-UHFFFAOYSA-N 0 0 306.394 3.155 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccnc1Cl ZINC000015800981 621993283 /nfs/dbraw/zinc/99/32/83/621993283.db2.gz AEWULFKYUBHKNK-SNVBAGLBSA-N 0 0 301.733 3.013 10 30 DGEERN C=CCCCN(C)C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000121085025 622128444 /nfs/dbraw/zinc/12/84/44/622128444.db2.gz KNNVSHKVPQUHHB-UHFFFAOYSA-N 0 0 324.465 3.496 10 30 DGEERN CC(=O)CCc1ccc(O[C@H](C)C(=O)O[C@H](C#N)C(C)C)cc1 ZINC000121602624 622166216 /nfs/dbraw/zinc/16/62/16/622166216.db2.gz OOQSDUJJBBCUPP-RHSMWYFYSA-N 0 0 317.385 3.067 10 30 DGEERN C#CC[C@@H](OC(=O)CCCC[C@H](C)C(C)=O)c1ccccn1 ZINC000123863906 622733688 /nfs/dbraw/zinc/73/36/88/622733688.db2.gz NHDZPSGFSWBBDH-WMLDXEAASA-N 0 0 301.386 3.475 10 30 DGEERN CCCCSCCC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000123984186 622856088 /nfs/dbraw/zinc/85/60/88/622856088.db2.gz FBHBLOUVNCIFKV-CQSZACIVSA-N 0 0 310.463 3.068 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O[C@@H](C#N)C(C)(C)C)C1 ZINC000126389307 623818393 /nfs/dbraw/zinc/81/83/93/623818393.db2.gz AKJLDAJHZZIZKS-STQMWFEESA-N 0 0 324.421 3.115 10 30 DGEERN Cc1ccn(Cc2cc(Cl)nc3ccccc23)c(=O)c1C#N ZINC000126569628 623931528 /nfs/dbraw/zinc/93/15/28/623931528.db2.gz ZWTITUAAMGVIRY-UHFFFAOYSA-N 0 0 309.756 3.278 10 30 DGEERN N#Cc1cccc(S(=O)(=O)CCSCc2ccccc2)c1 ZINC000126733686 624057602 /nfs/dbraw/zinc/05/76/02/624057602.db2.gz ZEOUFQVXDIKJOA-UHFFFAOYSA-N 0 0 317.435 3.265 10 30 DGEERN C=C(Br)CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000128161426 624770415 /nfs/dbraw/zinc/77/04/15/624770415.db2.gz CEJRXJYLOUJTTA-UHFFFAOYSA-N 0 0 318.161 3.312 10 30 DGEERN CCc1cc(C)c(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000128722071 625177291 /nfs/dbraw/zinc/17/72/91/625177291.db2.gz RWASKBAUYNYFKK-HNNXBMFYSA-N 0 0 310.353 3.420 10 30 DGEERN C=CCC(CC=C)C(=O)OC[C@H]1CCCN1c1ccc(C)nn1 ZINC000130306734 625835586 /nfs/dbraw/zinc/83/55/86/625835586.db2.gz OUCAHBBFIQCEDD-MRXNPFEDSA-N 0 0 315.417 3.065 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(F)cc1OCC#N ZINC000130411468 625847256 /nfs/dbraw/zinc/84/72/56/625847256.db2.gz GHHMGTONWBSZPC-UHFFFAOYSA-N 0 0 309.300 3.160 10 30 DGEERN COc1cccc(CO[C@@H](C)C(=O)O[C@@H](C)C(C)(C)C#N)c1 ZINC000130621040 625880172 /nfs/dbraw/zinc/88/01/72/625880172.db2.gz BSUPIUAAPWNNML-STQMWFEESA-N 0 0 305.374 3.082 10 30 DGEERN C=CCCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000103647767 626405843 /nfs/dbraw/zinc/40/58/43/626405843.db2.gz XXQQHKKWFHJYTO-MRXNPFEDSA-N 0 0 303.402 3.259 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(Br)nc1 ZINC000133330990 626781896 /nfs/dbraw/zinc/78/18/96/626781896.db2.gz VPMVBTGUQFLTIV-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CC(C)OC[C@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000133445484 626788322 /nfs/dbraw/zinc/78/83/22/626788322.db2.gz KRRUJOVKZLUIFN-AWEZNQCLSA-N 0 0 311.381 3.222 10 30 DGEERN N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000826785278 627544819 /nfs/dbraw/zinc/54/48/19/627544819.db2.gz OKPJLDVSBWUROJ-GHMZBOCLSA-N 0 0 312.295 3.196 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)OCc1cccnc1Cl ZINC000103812128 627945976 /nfs/dbraw/zinc/94/59/76/627945976.db2.gz CORRPPOYPMMENP-NSHDSACASA-N 0 0 316.744 3.117 10 30 DGEERN C=CCOc1ccccc1[C@H]1Nc2ccc(OC)cc2C(=O)N1C ZINC000102418391 630104521 /nfs/dbraw/zinc/10/45/21/630104521.db2.gz AKXLKKISLHYPJG-SFHVURJKSA-N 0 0 324.380 3.456 10 30 DGEERN C#Cc1cccc(N(C(=O)[C@@H](C)n2nc(C)cc2C)C(C)C)c1 ZINC000102908803 630307931 /nfs/dbraw/zinc/30/79/31/630307931.db2.gz OGIWDTBMEKQSRM-MRXNPFEDSA-N 0 0 309.413 3.484 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1ccc(Br)o1 ZINC000105761410 631081542 /nfs/dbraw/zinc/08/15/42/631081542.db2.gz KCQBEOFECACQOL-UHFFFAOYSA-N 0 0 305.127 3.251 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccc(C#N)cc2)c1 ZINC000106931709 631489091 /nfs/dbraw/zinc/48/90/91/631489091.db2.gz KUSRASPDKYQGIP-ROUUACIJSA-N 0 0 307.349 3.414 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2CCCC[C@H]2C#N)cc1OC ZINC000107001922 631500807 /nfs/dbraw/zinc/50/08/07/631500807.db2.gz OYWJCROCLPPXMQ-LSDHHAIUSA-N 0 0 315.369 3.499 10 30 DGEERN C#CCOc1cccc(COC(=O)Cc2csc(CC)n2)c1 ZINC000107021104 631503939 /nfs/dbraw/zinc/50/39/39/631503939.db2.gz SZOUHUOTCGDIOM-UHFFFAOYSA-N 0 0 315.394 3.003 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](C)OCC1CC1 ZINC000107060044 631517285 /nfs/dbraw/zinc/51/72/85/631517285.db2.gz RAVFOVMSZPCBDM-KBPBESRZSA-N 0 0 302.370 3.118 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000108516613 631904190 /nfs/dbraw/zinc/90/41/90/631904190.db2.gz BKZTZNLAPNSJEZ-ZWKOTPCHSA-N 0 0 306.365 3.376 10 30 DGEERN CO[C@@H](C)c1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110274032 632512285 /nfs/dbraw/zinc/51/22/85/632512285.db2.gz UKOLDTFEHHFKEF-AWEZNQCLSA-N 0 0 324.380 3.478 10 30 DGEERN COc1ccc(C(=O)OCC(C)(C)CC#N)cc1OC(F)F ZINC000184766148 660186093 /nfs/dbraw/zinc/18/60/93/660186093.db2.gz BCKTZKBNSVBWCM-UHFFFAOYSA-N 0 0 313.300 3.393 10 30 DGEERN C#CCN(CC#C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000072907087 660227254 /nfs/dbraw/zinc/22/72/54/660227254.db2.gz KKKIQWGOZKASKT-UHFFFAOYSA-N 0 0 302.377 3.007 10 30 DGEERN CC(C)(C)c1noc(CCC(=O)OCC2(C#N)CCCCC2)n1 ZINC000183717895 660132564 /nfs/dbraw/zinc/13/25/64/660132564.db2.gz AQJGUDLFWZJWFU-UHFFFAOYSA-N 0 0 319.405 3.317 10 30 DGEERN C#CCOc1ccccc1CNc1cccc(N(C)C(C)=O)c1 ZINC000072928027 660230864 /nfs/dbraw/zinc/23/08/64/660230864.db2.gz KOTNWCXQQNPUGL-UHFFFAOYSA-N 0 0 308.381 3.293 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000185763496 660239634 /nfs/dbraw/zinc/23/96/34/660239634.db2.gz CQWSGEQMQCEGGT-INIZCTEOSA-N 0 0 312.413 3.069 10 30 DGEERN C#C[C@@H](C)NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000185969959 660257383 /nfs/dbraw/zinc/25/73/83/660257383.db2.gz XDBFPBDQQCWYHO-GFCCVEGCSA-N 0 0 314.335 3.375 10 30 DGEERN N#CCOc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 ZINC000073649686 660443516 /nfs/dbraw/zinc/44/35/16/660443516.db2.gz BIFBJOIQTMXFQW-OAHLLOKOSA-N 0 0 313.744 3.096 10 30 DGEERN COc1cccc(/C=N\[C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000255366211 660481697 /nfs/dbraw/zinc/48/16/97/660481697.db2.gz MHLIEDJWGADSBI-JFENUBAZSA-N 0 0 322.368 3.162 10 30 DGEERN C#CCCCNC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000174118940 660783011 /nfs/dbraw/zinc/78/30/11/660783011.db2.gz LBUZPIZMCUMOEJ-LLVKDONJSA-N 0 0 314.307 3.359 10 30 DGEERN CN(Cc1ccc(Br)cc1C#N)OCC(F)(F)F ZINC000704749233 660816649 /nfs/dbraw/zinc/81/66/49/660816649.db2.gz BKYROYJEIMHWJA-UHFFFAOYSA-N 0 0 323.112 3.246 10 30 DGEERN N#Cc1ccc(N[C@H]2COC3(CCC3)C2)c(Br)c1 ZINC000711152744 660940299 /nfs/dbraw/zinc/94/02/99/660940299.db2.gz HFTIGCBEQNCOTL-LLVKDONJSA-N 0 0 307.191 3.444 10 30 DGEERN C#CCOc1ccccc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000187086809 655540804 /nfs/dbraw/zinc/54/08/04/655540804.db2.gz ZQKPINDJKBNKLI-WYMLVPIESA-N 0 0 313.378 3.111 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cc(OC)c(OC)cc1C ZINC000187534608 655550733 /nfs/dbraw/zinc/55/07/33/655550733.db2.gz OGOSWMHEXPVKAX-SFHVURJKSA-N 0 0 322.401 3.398 10 30 DGEERN C=C[C@H](C)OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000187523024 655550867 /nfs/dbraw/zinc/55/08/67/655550867.db2.gz CASBJQSPSVOGKG-VIFPVBQESA-N 0 0 311.263 3.017 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000254988767 655555235 /nfs/dbraw/zinc/55/52/35/655555235.db2.gz PTVDKAHQYCFUGB-KHPPLWFESA-N 0 0 319.364 3.193 10 30 DGEERN Fc1nc(F)c(F)c(N2CCS[C@H](C(F)(F)F)C2)c1F ZINC000721424338 655585543 /nfs/dbraw/zinc/58/55/43/655585543.db2.gz AMOGHUBBSOOZHE-BYPYZUCNSA-N 0 0 320.233 3.122 10 30 DGEERN C=C[C@H](C)OC(=O)COc1ccccc1OCC(F)(F)F ZINC000187576535 655663097 /nfs/dbraw/zinc/66/30/97/655663097.db2.gz AYFJKBSEIHMAQY-JTQLQIEISA-N 0 0 304.264 3.124 10 30 DGEERN COc1ccc(O)c(/C=N/[C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000157148957 655689447 /nfs/dbraw/zinc/68/94/47/655689447.db2.gz BLEDKKAUEYKXEL-KZKLBEMASA-N 0 0 322.368 3.162 10 30 DGEERN Cc1cccc2[nH]cc(CC/N=C\c3ccc(O)c(O)c3O)c21 ZINC000255322102 655698922 /nfs/dbraw/zinc/69/89/22/655698922.db2.gz MTVVACBRKJRZMU-OCKHKDLRSA-N 0 0 310.353 3.255 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(C#N)cc2F)c1 ZINC000157923218 655713310 /nfs/dbraw/zinc/71/33/10/655713310.db2.gz IYHWNZAMCPBXBL-LSDHHAIUSA-N 0 0 311.312 3.415 10 30 DGEERN COC1(C(=O)OC[C@H](C#N)Cc2cccs2)CCCCC1 ZINC000187710068 655728349 /nfs/dbraw/zinc/72/83/49/655728349.db2.gz XRRCHUWPPKSFDJ-ZDUSSCGKSA-N 0 0 307.415 3.323 10 30 DGEERN C[C@H](C(=O)O[C@@H](C#N)C1CC1)c1ccc(Br)s1 ZINC000176066938 655731086 /nfs/dbraw/zinc/73/10/86/655731086.db2.gz HOGVFCUOVDCWCK-CBAPKCEASA-N 0 0 314.204 3.459 10 30 DGEERN N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176128409 655736318 /nfs/dbraw/zinc/73/63/18/655736318.db2.gz XAQUQCHDPKXMNU-JKSUJKDBSA-N 0 0 322.364 3.075 10 30 DGEERN CON=Cc1ccc(C(=O)OCCOC2CCCCC2)cc1 ZINC000255405036 655737958 /nfs/dbraw/zinc/73/79/58/655737958.db2.gz GYEVYUISJOTIPM-UHFFFAOYSA-N 0 0 305.374 3.173 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000176188573 655740736 /nfs/dbraw/zinc/74/07/36/655740736.db2.gz TUVQWSZHWMJFFL-MRXNPFEDSA-N 0 0 320.360 3.388 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)C#Cc2ccccc2)n1 ZINC000161105842 655747479 /nfs/dbraw/zinc/74/74/79/655747479.db2.gz ZRZMIURQHBEYFM-UHFFFAOYSA-N 0 0 301.349 3.171 10 30 DGEERN C=CC[C@@]1(C(=O)N[C@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000190205130 655781800 /nfs/dbraw/zinc/78/18/00/655781800.db2.gz SWPMYHWGVZUVRW-DYVFJYSZSA-N 0 0 310.438 3.247 10 30 DGEERN C#CCNC(=O)c1ccccc1NC(=O)c1cc(CC)c(CC)o1 ZINC000155306595 655808997 /nfs/dbraw/zinc/80/89/97/655808997.db2.gz JWOVRHDDJLRXFP-UHFFFAOYSA-N 0 0 324.380 3.020 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1c(Cl)cccc1C(F)(F)F ZINC000712612143 661189363 /nfs/dbraw/zinc/18/93/63/661189363.db2.gz DEPRVYZXLXNWDL-QMMMGPOBSA-N 0 0 307.699 3.026 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1CC1 ZINC000156463575 655812966 /nfs/dbraw/zinc/81/29/66/655812966.db2.gz DAFQUSZTGMKOLC-LSDHHAIUSA-N 0 0 321.417 3.025 10 30 DGEERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C#N)cc1C ZINC000161763707 655815826 /nfs/dbraw/zinc/81/58/26/655815826.db2.gz MKIWKYLTSSSAHY-UHFFFAOYSA-N 0 0 321.380 3.129 10 30 DGEERN COc1ccc(CON=C2CCOc3ccccc32)cc1C#N ZINC000255582758 655838991 /nfs/dbraw/zinc/83/89/91/655838991.db2.gz ABRBOWUYJDGMIT-UHFFFAOYSA-N 0 0 308.337 3.270 10 30 DGEERN COc1ccc2c(c1)C(=O)/C(=C\c1cnc3ccc(C#N)cn13)C2 ZINC000255592158 655852916 /nfs/dbraw/zinc/85/29/16/655852916.db2.gz HXHUPPGILXFJEC-AUWJEWJLSA-N 0 0 315.332 3.037 10 30 DGEERN C#CC[C@H](OC(=O)C[C@H](NC(C)=O)c1ccccc1)C(C)(C)C ZINC000159847669 655853248 /nfs/dbraw/zinc/85/32/48/655853248.db2.gz WZBITLQSGMGSDI-IRXDYDNUSA-N 0 0 315.413 3.235 10 30 DGEERN C[C@@H](Oc1ccccc1Br)C(=O)O[C@H](C#N)C1CC1 ZINC000177038284 655889401 /nfs/dbraw/zinc/88/94/01/655889401.db2.gz QFIOFYNVCDDBIW-NOZJJQNGSA-N 0 0 324.174 3.062 10 30 DGEERN CCOc1ccccc1OCCCC(=O)O[C@H](C#N)C1CC1 ZINC000177039423 655889492 /nfs/dbraw/zinc/88/94/92/655889492.db2.gz LXDXRHZMXFYWKL-MRXNPFEDSA-N 0 0 303.358 3.090 10 30 DGEERN C[C@]1(COC(=O)CCCCOc2cccc(C#N)c2)CCCO1 ZINC000177236073 655917956 /nfs/dbraw/zinc/91/79/56/655917956.db2.gz NCQIUGVJQOOVGN-GOSISDBHSA-N 0 0 317.385 3.220 10 30 DGEERN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cnc1Cl ZINC000177557646 655932315 /nfs/dbraw/zinc/93/23/15/655932315.db2.gz WKRIEGDRBKQYIC-NSHDSACASA-N 0 0 315.760 3.321 10 30 DGEERN C#CC[C@H](OC(=O)CCc1cnn(-c2ccccc2)c1)C(C)C ZINC000177726636 655943450 /nfs/dbraw/zinc/94/34/50/655943450.db2.gz XZILEKMBWADHFB-SFHVURJKSA-N 0 0 310.397 3.396 10 30 DGEERN C#CCCCCC(=O)OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000180754436 655968742 /nfs/dbraw/zinc/96/87/42/655968742.db2.gz FCVOXGGDPMSHFV-OAHLLOKOSA-N 0 0 323.433 3.370 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000187613257 656139277 /nfs/dbraw/zinc/13/92/77/656139277.db2.gz VQEUHVSCPOKEMY-WMZOPIPTSA-N 0 0 301.386 3.141 10 30 DGEERN COc1ccc(OCCC(=O)OCC(C)(C)CCC#N)cc1 ZINC000195096992 656209056 /nfs/dbraw/zinc/20/90/56/656209056.db2.gz BLXICRNYRGHLJN-UHFFFAOYSA-N 0 0 305.374 3.337 10 30 DGEERN C=CCc1ccc(OC(=O)CCCC(=O)NC(C)C)c(OC)c1 ZINC000076813867 657359884 /nfs/dbraw/zinc/35/98/84/657359884.db2.gz INOMOBACEMWLBP-UHFFFAOYSA-N 0 0 319.401 3.024 10 30 DGEERN C=CC[C@@]1(C(=O)NCC(C)C)CCCN1C(=O)OC(C)(C)C ZINC000190375755 657364646 /nfs/dbraw/zinc/36/46/46/657364646.db2.gz ZLOABBXBOYEQTC-KRWDZBQOSA-N 0 0 310.438 3.104 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc2c(C)nn(C)c2s1 ZINC000191122328 657370807 /nfs/dbraw/zinc/37/08/07/657370807.db2.gz OMLIRCXLYUENEN-MRXNPFEDSA-N 0 0 322.430 3.329 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)[C@](C)(OC)c1ccccc1F ZINC000191426769 657373896 /nfs/dbraw/zinc/37/38/96/657373896.db2.gz XYMXMNWNWLBXAT-QZTJIDSGSA-N 0 0 324.392 3.459 10 30 DGEERN C#CCN(C(=O)N[C@@H]1CCCO[C@H]1CC(C)C)C1CCCC1 ZINC000186226512 657405968 /nfs/dbraw/zinc/40/59/68/657405968.db2.gz IIWPQCQZBUNPMQ-SJORKVTESA-N 0 0 306.450 3.168 10 30 DGEERN CCn1cc(/C=C(/C(C)=O)n2ccc(C(F)(F)F)n2)c(C)n1 ZINC000096577745 657535143 /nfs/dbraw/zinc/53/51/43/657535143.db2.gz QOQQITHXHDAOQS-GHXNOFRVSA-N 0 0 312.295 3.014 10 30 DGEERN C=CCn1c(C)nnc1SC[C@H](O)c1cc(C)cc(C)c1 ZINC000304293367 657622190 /nfs/dbraw/zinc/62/21/90/657622190.db2.gz GZBWOPWMGHBDJQ-HNNXBMFYSA-N 0 0 303.431 3.215 10 30 DGEERN COc1cccc2c1OCC(=Cc1c[nH]nc1C(C)(C)C)C2=O ZINC000098125461 657912909 /nfs/dbraw/zinc/91/29/09/657912909.db2.gz DTWYWOMHHPSSJZ-XYOKQWHBSA-N 0 0 312.369 3.375 10 30 DGEERN COc1cc(/C=C2\Cc3ccccc3C2=O)cc2c1OCCO2 ZINC000007742267 657952778 /nfs/dbraw/zinc/95/27/78/657952778.db2.gz FAENDTKWKCDOCE-RIYZIHGNSA-N 0 0 308.333 3.289 10 30 DGEERN N#C[C@H](COC(=O)CCCc1ccccn1)Cc1ccccc1 ZINC000179169074 658372750 /nfs/dbraw/zinc/37/27/50/658372750.db2.gz OBIBQWXNWDHUEK-QGZVFWFLSA-N 0 0 308.381 3.330 10 30 DGEERN C=CCC[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2C)C1CC1 ZINC000179233449 658388314 /nfs/dbraw/zinc/38/83/14/658388314.db2.gz QXHJSOOYQHWRFF-QGZVFWFLSA-N 0 0 313.397 3.497 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000089318955 658652180 /nfs/dbraw/zinc/65/21/80/658652180.db2.gz VKLRITKSBSBYQJ-KDOFPFPSSA-N 0 0 315.413 3.420 10 30 DGEERN C#CCOC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000078299312 658719118 /nfs/dbraw/zinc/71/91/18/658719118.db2.gz RZMFMQPMLATJON-UHFFFAOYSA-N 0 0 321.785 3.094 10 30 DGEERN C=CCOc1cccc(NC(=O)c2ccnc3[nH]c(C)nc32)c1 ZINC000436119997 658790443 /nfs/dbraw/zinc/79/04/43/658790443.db2.gz FMPKMFRHUDXFCS-UHFFFAOYSA-N 0 0 308.341 3.083 10 30 DGEERN Cc1nc2c(nccc2C(=O)N[C@@H](CCC#N)c2ccccc2)[nH]1 ZINC000436150350 658791131 /nfs/dbraw/zinc/79/11/31/658791131.db2.gz JIVNZTOTYOXUGM-HNNXBMFYSA-N 0 0 319.368 3.041 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCN(c2ccccc2)C1 ZINC000187604062 658911486 /nfs/dbraw/zinc/91/14/86/658911486.db2.gz AUTUONXKJSYQCD-QFBILLFUSA-N 0 0 317.429 3.285 10 30 DGEERN C#CCN(C(=O)N[C@H]1CCc2cc(F)ccc21)C1CCCC1 ZINC000164692494 658941669 /nfs/dbraw/zinc/94/16/69/658941669.db2.gz TWBVXHYSBUTDJE-KRWDZBQOSA-N 0 0 300.377 3.400 10 30 DGEERN CC(=O)c1cccc(COC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000164733427 658944028 /nfs/dbraw/zinc/94/40/28/658944028.db2.gz WRKVTBHMAAQJBD-CQSZACIVSA-N 0 0 323.348 3.272 10 30 DGEERN C#CCOCCC(=O)O[C@H](C)c1ccccc1C(F)(F)F ZINC000165823854 659007299 /nfs/dbraw/zinc/00/72/99/659007299.db2.gz XHJFXWCLWCMFGE-LLVKDONJSA-N 0 0 300.276 3.350 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)c1cccc(NC(C)=O)c1 ZINC000057745731 659025489 /nfs/dbraw/zinc/02/54/89/659025489.db2.gz UAOFTNKFUMTUOG-CHWSQXEVSA-N 0 0 305.374 3.230 10 30 DGEERN COc1cccc(COC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000045840191 659051863 /nfs/dbraw/zinc/05/18/63/659051863.db2.gz XGYKPONGCBDXEB-ZDUSSCGKSA-N 0 0 311.337 3.078 10 30 DGEERN C=C(Br)CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000171170397 659265242 /nfs/dbraw/zinc/26/52/42/659265242.db2.gz ZQDVPQJSZIMZRN-JTQLQIEISA-N 0 0 313.195 3.424 10 30 DGEERN CCCN(C[C@@H]1CCCCO1)C(=O)/C=C/c1ccccc1C#N ZINC000171519162 659284963 /nfs/dbraw/zinc/28/49/63/659284963.db2.gz GVPSZPLHNYSNJP-ZGKFYVQTSA-N 0 0 312.413 3.379 10 30 DGEERN COc1cccc2c1OC/C(=C/c1cnn3ccccc13)C2=O ZINC000171737356 659296879 /nfs/dbraw/zinc/29/68/79/659296879.db2.gz JRGSQWVJBHFVEE-LCYFTJDESA-N 0 0 306.321 3.002 10 30 DGEERN N#CCOc1ccc(CC(=O)OCCOC2CCCCC2)cc1 ZINC000171797591 659298663 /nfs/dbraw/zinc/29/86/63/659298663.db2.gz HOTJFTUFIZIICM-UHFFFAOYSA-N 0 0 317.385 3.024 10 30 DGEERN Cc1oc2ncnc(NC(=O)/C=C/c3ccccc3C#N)c2c1C ZINC000172325816 659330578 /nfs/dbraw/zinc/33/05/78/659330578.db2.gz BPYGYURGUJSKOJ-BQYQJAHWSA-N 0 0 318.336 3.363 10 30 DGEERN CCCCOCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000172486593 659340487 /nfs/dbraw/zinc/34/04/87/659340487.db2.gz HSRBQVPPPYKICQ-LLVKDONJSA-N 0 0 321.327 3.424 10 30 DGEERN CCOc1ccc(O)c(/C=N/CCc2ncc(CC)s2)c1 ZINC000173990413 659407898 /nfs/dbraw/zinc/40/78/98/659407898.db2.gz XKFZWQIIASYFNB-LICLKQGHSA-N 0 0 304.415 3.471 10 30 DGEERN C#C[C@H](C)OC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000174420062 659433017 /nfs/dbraw/zinc/43/30/17/659433017.db2.gz LBXRFWMYKVZJRS-LBPRGKRZSA-N 0 0 301.367 3.140 10 30 DGEERN Cc1nc(Cl)sc1C(=O)Nc1nnc2cc(C)ccn21 ZINC000088254354 659454800 /nfs/dbraw/zinc/45/48/00/659454800.db2.gz KAUFQJZSXJLMQW-UHFFFAOYSA-N 0 0 307.766 3.092 10 30 DGEERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174752350 659627148 /nfs/dbraw/zinc/62/71/48/659627148.db2.gz XIWQNPREUSAUEJ-WFASDCNBSA-N 0 0 312.369 3.132 10 30 DGEERN N#Cc1ccc(CCC(=O)OCCOC2CCCCC2)cc1 ZINC000194217070 659737382 /nfs/dbraw/zinc/73/73/82/659737382.db2.gz ZYLBHBFYUHKYFC-UHFFFAOYSA-N 0 0 301.386 3.383 10 30 DGEERN C=CCOc1ccccc1C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000175254972 659918162 /nfs/dbraw/zinc/91/81/62/659918162.db2.gz VTIXWDUJXLOFIT-UHFFFAOYSA-N 0 0 324.380 3.486 10 30 DGEERN N#C[C@H](COC(=O)COCc1ccccc1)Cc1ccccc1 ZINC000175376506 659919192 /nfs/dbraw/zinc/91/91/92/659919192.db2.gz HKKHTNPWDWNQBZ-GOSISDBHSA-N 0 0 309.365 3.129 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC000180160962 659954515 /nfs/dbraw/zinc/95/45/15/659954515.db2.gz RMWZWZLTWGYDJA-GFCCVEGCSA-N 0 0 310.415 3.218 10 30 DGEERN C#CCCCCCOC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000180352349 659959654 /nfs/dbraw/zinc/95/96/54/659959654.db2.gz HDIHAGVGVIBORN-UHFFFAOYSA-N 0 0 317.360 3.303 10 30 DGEERN C=C[C@H](CC)OC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000181224587 659987641 /nfs/dbraw/zinc/98/76/41/659987641.db2.gz VFXLRXYBAVMZQQ-QAPCUYQASA-N 0 0 301.386 3.189 10 30 DGEERN C=C[C@H](CC)OC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000181230928 659987756 /nfs/dbraw/zinc/98/77/56/659987756.db2.gz ZZXHYGVMDQTUTO-DOMZBBRYSA-N 0 0 311.328 3.040 10 30 DGEERN COC(=O)c1ccc(CCC(=O)OCC#Cc2ccccc2)cc1 ZINC000069582422 660005149 /nfs/dbraw/zinc/00/51/49/660005149.db2.gz DJELCWZXIVNYER-UHFFFAOYSA-N 0 0 322.360 3.001 10 30 DGEERN CCOc1cccc(COC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000181818321 660021137 /nfs/dbraw/zinc/02/11/37/660021137.db2.gz KUPIVYZVFLWXRU-UHFFFAOYSA-N 0 0 322.364 3.392 10 30 DGEERN N#C[C@@H](C(=O)CCCOCCc1ccccc1)c1ccccn1 ZINC000069952416 660031051 /nfs/dbraw/zinc/03/10/51/660031051.db2.gz ZKUNEGNPCSNHSS-QGZVFWFLSA-N 0 0 308.381 3.297 10 30 DGEERN CN(CCC#N)c1ccc(CN2CCOc3ccccc32)cc1 ZINC000182120926 660035051 /nfs/dbraw/zinc/03/50/51/660035051.db2.gz BPVNEJKZMITZQD-UHFFFAOYSA-N 0 0 307.397 3.435 10 30 DGEERN C#CCCCCNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182150520 660035666 /nfs/dbraw/zinc/03/56/66/660035666.db2.gz MYMIVESOBKPOJP-SFHVURJKSA-N 0 0 322.449 3.086 10 30 DGEERN C=CCCOC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000182901532 660088886 /nfs/dbraw/zinc/08/88/86/660088886.db2.gz DYXHEGSWMYMYEJ-UHFFFAOYSA-N 0 0 313.382 3.279 10 30 DGEERN CCc1noc(CC)c1CC(=O)OCC1(C#N)CCCCC1 ZINC000183696108 660131322 /nfs/dbraw/zinc/13/13/22/660131322.db2.gz WSLSNEVPYHGNCT-UHFFFAOYSA-N 0 0 304.390 3.359 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000183867193 660144528 /nfs/dbraw/zinc/14/45/28/660144528.db2.gz ITGWNWATADNDQK-HNNXBMFYSA-N 0 0 321.380 3.361 10 30 DGEERN CCCOc1ccc(OCC(=O)OCC2(C#N)CCCC2)cc1 ZINC000183872062 660144936 /nfs/dbraw/zinc/14/49/36/660144936.db2.gz BFFYZIILJSLRFC-UHFFFAOYSA-N 0 0 317.385 3.481 10 30 DGEERN C=CC1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000183888621 660145754 /nfs/dbraw/zinc/14/57/54/660145754.db2.gz KFWQSSVSQLXUCQ-OUKQBFOZSA-N 0 0 300.358 3.423 10 30 DGEERN C=C[C@@H](C)OC(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000187529899 661797234 /nfs/dbraw/zinc/79/72/34/661797234.db2.gz GATPJHRPSDAMKC-GFCCVEGCSA-N 0 0 318.398 3.091 10 30 DGEERN C#CCN(CC(=O)Nc1cccc(SC)c1)C1CCCC1 ZINC000155858058 661853783 /nfs/dbraw/zinc/85/37/83/661853783.db2.gz HWSSKZBFSMLARA-UHFFFAOYSA-N 0 0 302.443 3.225 10 30 DGEERN C#CC[C@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1CC1 ZINC000156463459 661863334 /nfs/dbraw/zinc/86/33/34/661863334.db2.gz DAFQUSZTGMKOLC-CABCVRRESA-N 0 0 321.417 3.025 10 30 DGEERN C=CCC[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C1CC1 ZINC000159500061 661889512 /nfs/dbraw/zinc/88/95/12/661889512.db2.gz UEPDXUPALVYQRK-JKSUJKDBSA-N 0 0 300.354 3.056 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000159558544 661890568 /nfs/dbraw/zinc/89/05/68/661890568.db2.gz CLMIUTYAXVVNAY-INIZCTEOSA-N 0 0 301.386 3.290 10 30 DGEERN C=CCC[C@H](OC(=O)C[C@@H](C)NC(=O)C1CCCC1)C1CC1 ZINC000159590323 661890809 /nfs/dbraw/zinc/89/08/09/661890809.db2.gz STEAEYVUHZVEHI-CJNGLKHVSA-N 0 0 307.434 3.359 10 30 DGEERN C=CCC[C@@H](OC(=O)CCNC(=O)c1ccsc1)C1CC1 ZINC000159684082 661893293 /nfs/dbraw/zinc/89/32/93/661893293.db2.gz LTPGFMZBGLHDDK-CQSZACIVSA-N 0 0 307.415 3.156 10 30 DGEERN C#CC[C@H](OC(=O)c1cccc(C[S@@](C)=O)c1)C(C)(C)C ZINC000159889677 661897374 /nfs/dbraw/zinc/89/73/74/661897374.db2.gz IRNZJWQKUAFSJZ-BTYIYWSLSA-N 0 0 306.427 3.160 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000188058923 661913411 /nfs/dbraw/zinc/91/34/11/661913411.db2.gz UVDFHYMNPIPBDT-GDBMZVCRSA-N 0 0 303.358 3.093 10 30 DGEERN CC[C@H](CC#N)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000188058878 661913461 /nfs/dbraw/zinc/91/34/61/661913461.db2.gz UVDFHYMNPIPBDT-ZBFHGGJFSA-N 0 0 303.358 3.093 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000188067570 661913896 /nfs/dbraw/zinc/91/38/96/661913896.db2.gz DPVFRRKMPRQNEY-VIFPVBQESA-N 0 0 316.235 3.463 10 30 DGEERN CC[C@@H](CC#N)OC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000188073596 661914514 /nfs/dbraw/zinc/91/45/14/661914514.db2.gz GDCWIVFLHHVOMV-HNNXBMFYSA-N 0 0 305.349 3.109 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000188087671 661915344 /nfs/dbraw/zinc/91/53/44/661915344.db2.gz NPZTUVAVYAEQPS-HNNXBMFYSA-N 0 0 305.422 3.324 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000188100275 661915963 /nfs/dbraw/zinc/91/59/63/661915963.db2.gz ITZIPZCDQQONAZ-LBPRGKRZSA-N 0 0 307.321 3.033 10 30 DGEERN C#CCN(CC#C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000075399340 661928506 /nfs/dbraw/zinc/92/85/06/661928506.db2.gz PWPLFBSUPJASSJ-HNNXBMFYSA-N 0 0 305.377 3.047 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189320753 661974287 /nfs/dbraw/zinc/97/42/87/661974287.db2.gz JCBDHJQWZNVWAL-CHWSQXEVSA-N 0 0 317.389 3.057 10 30 DGEERN C=CCOCCCC(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000076883139 662004229 /nfs/dbraw/zinc/00/42/29/662004229.db2.gz BXCKWWWXJUVJHP-CYBMUJFWSA-N 0 0 306.358 3.045 10 30 DGEERN COc1ccc(CCC(=O)OCC#Cc2ccccc2)cc1F ZINC000076923325 662013710 /nfs/dbraw/zinc/01/37/10/662013710.db2.gz BYJHMJFNTDHFCW-UHFFFAOYSA-N 0 0 312.340 3.362 10 30 DGEERN C#CCOc1ccc(NC(=O)NC[C@@](C)(O)CCC(C)C)cc1 ZINC000077704561 662037704 /nfs/dbraw/zinc/03/77/04/662037704.db2.gz UJPBALKKRVDVJG-SFHVURJKSA-N 0 0 318.417 3.007 10 30 DGEERN C=CC[C@]1(C(=O)N(C)CCC)CCCN1C(=O)OC(C)(C)C ZINC000190641062 662039439 /nfs/dbraw/zinc/03/94/39/662039439.db2.gz NISNTEKGTYVKCV-QGZVFWFLSA-N 0 0 310.438 3.201 10 30 DGEERN C#CC[C@@H](OC(=O)CC1CCC2(CC1)OCCO2)C(C)(C)C ZINC000190836192 662046773 /nfs/dbraw/zinc/04/67/73/662046773.db2.gz NLIOSAVOAXUAQL-OAHLLOKOSA-N 0 0 308.418 3.291 10 30 DGEERN CCOC1CC(CC(=O)OC[C@H](C#N)Cc2cccs2)C1 ZINC000191238616 662057441 /nfs/dbraw/zinc/05/74/41/662057441.db2.gz KXXXGYSYGXBZOU-MOKVOYLWSA-N 0 0 307.415 3.179 10 30 DGEERN C=CCc1cc(OC)ccc1OC(=O)c1cnn(C(C)C)c1 ZINC000191452429 662066777 /nfs/dbraw/zinc/06/67/77/662066777.db2.gz BVOKLAZKPURLHB-UHFFFAOYSA-N 0 0 300.358 3.420 10 30 DGEERN C=CC[C@]1(C(=O)OCC(F)F)CCCN1C(=O)OC(C)(C)C ZINC000192183052 662090966 /nfs/dbraw/zinc/09/09/66/662090966.db2.gz FWAGVJJDQBZQTA-OAHLLOKOSA-N 0 0 319.348 3.141 10 30 DGEERN C=CCC1(C(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000192231690 662092359 /nfs/dbraw/zinc/09/23/59/662092359.db2.gz XOWRAVSOZXWKIZ-ZDUSSCGKSA-N 0 0 309.406 3.285 10 30 DGEERN C#CC[C@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CC1 ZINC000079208056 662103650 /nfs/dbraw/zinc/10/36/50/662103650.db2.gz HCUSESYQCGHSQR-INIZCTEOSA-N 0 0 300.402 3.474 10 30 DGEERN CC(C)CCO[C@H](C)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079220027 662104682 /nfs/dbraw/zinc/10/46/82/662104682.db2.gz SCCPWLWWSLHDTC-NVXWUHKLSA-N 0 0 303.402 3.363 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cccc2ncccc21 ZINC000192627034 662106675 /nfs/dbraw/zinc/10/66/75/662106675.db2.gz IMMRASLCOYYUCM-CYBMUJFWSA-N 0 0 318.332 3.479 10 30 DGEERN C[C@@H](O)c1nc2ccccc2n1Cc1cn2ccccc2c1C#N ZINC000192712053 662109446 /nfs/dbraw/zinc/10/94/46/662109446.db2.gz AIQPCPOFGUSIJC-CYBMUJFWSA-N 0 0 316.364 3.262 10 30 DGEERN C[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(C#N)cc1 ZINC000192834863 662112355 /nfs/dbraw/zinc/11/23/55/662112355.db2.gz HQRJVPNRTSMULR-CQSZACIVSA-N 0 0 321.380 3.430 10 30 DGEERN N#CCOc1ccccc1C(=O)OCCOC1CCCCC1 ZINC000193634465 662142552 /nfs/dbraw/zinc/14/25/52/662142552.db2.gz LWWDBTHPZHYPNS-UHFFFAOYSA-N 0 0 303.358 3.095 10 30 DGEERN N#CC(C(=O)NC1CCCC1)=C(O)C=Cc1ccccc1Cl ZINC000193760279 662147352 /nfs/dbraw/zinc/14/73/52/662147352.db2.gz OVHCJYZOXNMRJJ-ATWMFIQVSA-N 0 0 316.788 3.121 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Oc1ccc(Br)cc1F ZINC000080939925 662156638 /nfs/dbraw/zinc/15/66/38/662156638.db2.gz XOUXYOXFZMWURL-UHFFFAOYSA-N 0 0 323.121 3.018 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000081157785 662161890 /nfs/dbraw/zinc/16/18/90/662161890.db2.gz UZMXPUUTCYNSMO-UHFFFAOYSA-N 0 0 323.377 3.377 10 30 DGEERN C=CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000194585714 662169547 /nfs/dbraw/zinc/16/95/47/662169547.db2.gz VNVVIZYROBGYAN-MRXNPFEDSA-N 0 0 323.392 3.421 10 30 DGEERN CCN(CC)C(=O)CCC(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000088817886 662235712 /nfs/dbraw/zinc/23/57/12/662235712.db2.gz NBWJOMHBDWNDDO-LBPRGKRZSA-N 0 0 321.446 3.091 10 30 DGEERN C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000245762022 662240597 /nfs/dbraw/zinc/24/05/97/662240597.db2.gz PYTAXWPFHIOUIR-ZIAGYGMSSA-N 0 0 318.417 3.139 10 30 DGEERN N#C[C@@H](COC(=O)Cc1ccccc1F)Cc1cccs1 ZINC000089297750 662241017 /nfs/dbraw/zinc/24/10/17/662241017.db2.gz WVJDQWBJNLHALU-LBPRGKRZSA-N 0 0 303.358 3.355 10 30 DGEERN N#C[C@@H](COC(=O)CCCc1ccccn1)Cc1cccs1 ZINC000089300409 662241223 /nfs/dbraw/zinc/24/12/23/662241223.db2.gz XQFBCPJVTBOKLO-AWEZNQCLSA-N 0 0 314.410 3.391 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000089317233 662241931 /nfs/dbraw/zinc/24/19/31/662241931.db2.gz IYABXKLCKSAJMH-UONOGXRCSA-N 0 0 317.385 3.089 10 30 DGEERN C=CCC[C@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000089321101 662242106 /nfs/dbraw/zinc/24/21/06/662242106.db2.gz LBIQQRMPXBDDLX-WMLDXEAASA-N 0 0 303.402 3.460 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)c1cccc(OC)c1F ZINC000090615885 662268813 /nfs/dbraw/zinc/26/88/13/662268813.db2.gz WZBGNDIPXGIGRJ-UHFFFAOYSA-N 0 0 317.291 3.238 10 30 DGEERN CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C(C)(C)C#N ZINC000719962015 662300167 /nfs/dbraw/zinc/30/01/67/662300167.db2.gz LPJXLZJXTJRWJN-KRWDZBQOSA-N 0 0 313.445 3.049 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1c(Cl)n(C)nc1CC ZINC000092136165 662327915 /nfs/dbraw/zinc/32/79/15/662327915.db2.gz QCWCNFBLZYROJD-UHFFFAOYSA-N 0 0 321.783 3.399 10 30 DGEERN N#C[C@@H](COC(=O)CCc1ccco1)Cc1ccc(F)cc1 ZINC000065496948 685055722 /nfs/dbraw/zinc/05/57/22/685055722.db2.gz QRRRWVDDKHKXOI-AWEZNQCLSA-N 0 0 301.317 3.277 10 30 DGEERN Cc1nn(C(F)F)c(C)c1CC(=O)OCC#Cc1ccccc1 ZINC000065492172 685055899 /nfs/dbraw/zinc/05/58/99/685055899.db2.gz PLBYPXNVLBIPPL-UHFFFAOYSA-N 0 0 318.323 3.032 10 30 DGEERN CCCCc1oc2ccccc2c1C=CC(O)=C(C#N)C(=O)NC ZINC000133447362 685068881 /nfs/dbraw/zinc/06/88/81/685068881.db2.gz JBQZUJSJWHWKJH-AUECHBEKSA-N 0 0 324.380 3.243 10 30 DGEERN C=CCOc1cccc(CNc2ccnn2C[C@H]2CCOC2)c1 ZINC000236686907 1176488447 /nfs/dbraw/zinc/48/84/47/1176488447.db2.gz PMEDOFPHGDZCOH-MRXNPFEDSA-N 0 0 313.401 3.097 10 30 DGEERN C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000395271559 1176759790 /nfs/dbraw/zinc/75/97/90/1176759790.db2.gz SEZDHSPLVQTTNG-LBPRGKRZSA-N 0 0 324.204 3.213 10 30 DGEERN N#CCSc1cccc(C(=O)OCCCc2ccncc2)c1 ZINC000079382457 1196948271 /nfs/dbraw/zinc/94/82/71/1196948271.db2.gz YXDVDQIAFYRCHB-UHFFFAOYSA-N 0 0 312.394 3.487 10 30 DGEERN N#CCSc1cccc(C(=O)Nc2cc(F)ccc2O)c1 ZINC000080035866 1197014230 /nfs/dbraw/zinc/01/42/30/1197014230.db2.gz SBKIJRTZXOJQCB-UHFFFAOYSA-N 0 0 302.330 3.399 10 30 DGEERN C=CCOc1ccc(CNc2cnn(CCC)c2)cc1OC ZINC000090191661 1198120325 /nfs/dbraw/zinc/12/03/25/1198120325.db2.gz QTJRWIGQKAKYSN-UHFFFAOYSA-N 0 0 301.390 3.479 10 30 DGEERN CC(C)CN(CCC#N)C(=O)c1ccc(Br)cc1N ZINC000094044618 1198750502 /nfs/dbraw/zinc/75/05/02/1198750502.db2.gz IMYXZRGNMMLMKR-UHFFFAOYSA-N 0 0 324.222 3.043 10 30 DGEERN COCCN(CC(C)C)c1cc(Br)ccc1C#N ZINC000123184513 1199372934 /nfs/dbraw/zinc/37/29/34/1199372934.db2.gz LLPDWJFQBKHZRL-UHFFFAOYSA-N 0 0 311.223 3.430 10 30 DGEERN C[C@@H]1OCC[C@]1(C)Nc1ccc(C#N)c(Br)c1F ZINC000300630075 1199375711 /nfs/dbraw/zinc/37/57/11/1199375711.db2.gz WMVBMUMWTGDUNK-SDBXPKJASA-N 0 0 313.170 3.439 10 30 DGEERN C=C(C)CONC(=O)c1cccc(Br)c1Cl ZINC000400955002 1199376957 /nfs/dbraw/zinc/37/69/57/1199376957.db2.gz WDVMGYOKMCBTLW-UHFFFAOYSA-N 0 0 304.571 3.340 10 30 DGEERN N#Cc1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1F ZINC000403996539 1199529190 /nfs/dbraw/zinc/52/91/90/1199529190.db2.gz GKBVMCDSXVSURS-UHFFFAOYSA-N 0 0 320.371 3.232 10 30 DGEERN N#Cc1cccc2c1CN(c1ncccc1Br)C2 ZINC000405133567 1199593652 /nfs/dbraw/zinc/59/36/52/1199593652.db2.gz SFRGQBKZGGITCZ-UHFFFAOYSA-N 0 0 300.159 3.236 10 30 DGEERN CC[C@H]1CN(c2cc(Br)ccc2C#N)CCCO1 ZINC000305949821 1199693397 /nfs/dbraw/zinc/69/33/97/1199693397.db2.gz NBWGWTCYIRELIF-ZDUSSCGKSA-N 0 0 309.207 3.326 10 30 DGEERN C[C@@H](Nc1cc(Br)ccc1C#N)C(=O)NC(C)(C)C ZINC000123398253 1200278005 /nfs/dbraw/zinc/27/80/05/1200278005.db2.gz HSOQZQULQGBTAH-SECBINFHSA-N 0 0 324.222 3.036 10 30 DGEERN N#Cc1ccc(NCc2ccccn2)c(F)c1Br ZINC000231843607 1202600293 /nfs/dbraw/zinc/60/02/93/1202600293.db2.gz PFTTWKLRJRKFST-UHFFFAOYSA-N 0 0 306.138 3.467 10 30 DGEERN CN(Cc1ccncc1)c1ccc(C#N)c(Br)c1F ZINC000231844201 1202600302 /nfs/dbraw/zinc/60/03/02/1202600302.db2.gz WOENHHMRJZZEPE-UHFFFAOYSA-N 0 0 320.165 3.491 10 30 DGEERN C[C@H](CO)CSc1ccc(C#N)c(Br)c1F ZINC000231861958 1202600390 /nfs/dbraw/zinc/60/03/90/1202600390.db2.gz HOWPXCLTPDRKBJ-SSDOTTSWSA-N 0 0 304.184 3.180 10 30 DGEERN CCC(CC)(CO)Nc1ccc(C#N)c(Br)c1F ZINC000231863803 1202600405 /nfs/dbraw/zinc/60/04/05/1202600405.db2.gz FBMXHVHYOXDCIY-UHFFFAOYSA-N 0 0 315.186 3.423 10 30 DGEERN C#CCSCCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000231940035 1202600431 /nfs/dbraw/zinc/60/04/31/1202600431.db2.gz SMZCUNATFQEINI-UHFFFAOYSA-N 0 0 310.850 3.129 10 30 DGEERN N#Cc1ccc(N[C@H]2CCCC[C@@H]2O)c(F)c1Br ZINC000231863789 1202600455 /nfs/dbraw/zinc/60/04/55/1202600455.db2.gz MVLWGURXMZWXSM-ONGXEEELSA-N 0 0 313.170 3.175 10 30 DGEERN C=CCOc1ccc(CNCc2nccn2C(F)F)cc1OC ZINC000237134978 1202649465 /nfs/dbraw/zinc/64/94/65/1202649465.db2.gz DEJBQHWQMXRNMO-UHFFFAOYSA-N 0 0 323.343 3.141 10 30 DGEERN COc1ccc(/C(C)=C\C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000255597013 1203850354 /nfs/dbraw/zinc/85/03/54/1203850354.db2.gz BVDMYCOMGKYGAZ-LCYFTJDESA-N 0 0 324.355 3.426 10 30 DGEERN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccccc1OCC#N ZINC000175086809 1203917263 /nfs/dbraw/zinc/91/72/63/1203917263.db2.gz JSEVBSIVJCZFHE-CYBMUJFWSA-N 0 0 314.410 3.354 10 30 DGEERN C[C@H](Cc1ccsc1)N(C)C(=O)NCc1cccc(C#N)c1 ZINC000175933634 1203922189 /nfs/dbraw/zinc/92/21/89/1203922189.db2.gz PJNCHMIWASDOOH-CYBMUJFWSA-N 0 0 313.426 3.392 10 30 DGEERN C=CCN(CC(=O)OCC)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000177591098 1203956897 /nfs/dbraw/zinc/95/68/97/1203956897.db2.gz DLVDZIBVQPSKBY-CYBMUJFWSA-N 0 0 315.369 3.114 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1csc(Br)n1 ZINC000706451881 1082015296 /nfs/dbraw/zinc/01/52/96/1082015296.db2.gz RYCCLNAINSPHGC-UHFFFAOYSA-N 0 0 303.225 3.238 10 30 DGEERN C=C(C)COc1cccc(NC(=O)/C=C\c2cncc(O)c2)c1 ZINC000588409033 1082164653 /nfs/dbraw/zinc/16/46/53/1082164653.db2.gz BHJUFBGINDQQSE-SREVYHEPSA-N 0 0 310.353 3.394 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 ZINC000588410367 1082169283 /nfs/dbraw/zinc/16/92/83/1082169283.db2.gz LVQZYBXBNBIOAV-RQOWECAXSA-N 0 0 305.311 3.267 10 30 DGEERN C/C(=C/c1ccc(F)cc1)C(=O)OCC1(C#N)CCOCC1 ZINC000588411768 1082175071 /nfs/dbraw/zinc/17/50/71/1082175071.db2.gz MCPSQDJZWPHZIS-RAXLEYEMSA-N 0 0 303.333 3.093 10 30 DGEERN Cc1cccnc1/C=C\C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000588456749 1082334606 /nfs/dbraw/zinc/33/46/06/1082334606.db2.gz WATFERBGQKNPCR-AFNCTOJWSA-N 0 0 312.394 3.390 10 30 DGEERN COc1ccc(NC(=O)[C@H](C#N)C(=O)C(C)=CC(C)(C)C)cc1 ZINC000588507627 1082508913 /nfs/dbraw/zinc/50/89/13/1082508913.db2.gz FRODYYMRBJVWSA-KUGGDMIFSA-N 0 0 314.385 3.335 10 30 DGEERN C#C[C@@H](C)NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000588512878 1082521443 /nfs/dbraw/zinc/52/14/43/1082521443.db2.gz TYWJGOQBLYCARZ-YXYQAXARSA-N 0 0 301.695 3.424 10 30 DGEERN Cn1c2ccc(/C=C\C(=O)c3ccccc3C#N)cc2sc1=O ZINC000588618301 1082864502 /nfs/dbraw/zinc/86/45/02/1082864502.db2.gz LNMFWWSQZIODRE-CLFYSBASSA-N 0 0 320.373 3.368 10 30 DGEERN COc1ccc(CCC(=O)OCC#Cc2cccc(OC)c2)cc1 ZINC000176597848 1088141689 /nfs/dbraw/zinc/14/16/89/1088141689.db2.gz DPHACYXIYWCCGQ-UHFFFAOYSA-N 0 0 324.376 3.231 10 30 DGEERN C[C@@H](O)C[C@@H](C)Nc1ccc(C#N)c(Br)c1F ZINC000231847977 1095807770 /nfs/dbraw/zinc/80/77/70/1095807770.db2.gz NMBZRUGEXVCISC-HTQZYQBOSA-N 0 0 301.159 3.031 10 30 DGEERN C[C@H](C[C@H](C)O)Nc1ccc(C#N)c(Br)c1F ZINC000231847979 1095809123 /nfs/dbraw/zinc/80/91/23/1095809123.db2.gz NMBZRUGEXVCISC-SFYZADRCSA-N 0 0 301.159 3.031 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1nc2ccccc2s1 ZINC000278252648 214049172 /nfs/dbraw/zinc/04/91/72/214049172.db2.gz MSWYDMRMIAACDB-IAQYHMDHSA-N 0 0 303.383 3.321 10 30 DGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ncc(-c2ccccc2)o1 ZINC000081778803 192322500 /nfs/dbraw/zinc/32/25/00/192322500.db2.gz GBLBQVRTTZVXMG-LBPRGKRZSA-N 0 0 320.352 3.043 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ncc(-c2ccccc2)o1 ZINC000081778808 192323369 /nfs/dbraw/zinc/32/33/69/192323369.db2.gz GBLBQVRTTZVXMG-GFCCVEGCSA-N 0 0 320.352 3.043 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1OCC1CC1 ZINC000278338799 214099188 /nfs/dbraw/zinc/09/91/88/214099188.db2.gz LVKHBVONRYPVBK-RHSMWYFYSA-N 0 0 301.386 3.395 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000278371652 214123355 /nfs/dbraw/zinc/12/33/55/214123355.db2.gz MJJAHBGFAUKZHX-CYBMUJFWSA-N 0 0 321.342 3.415 10 30 DGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891792 432002890 /nfs/dbraw/zinc/00/28/90/432002890.db2.gz DVGDMGZYMWPMHL-GXTWGEPZSA-N 0 0 306.793 3.283 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC000278778938 214396025 /nfs/dbraw/zinc/39/60/25/214396025.db2.gz HFHLTDNCJQNDCM-CYBMUJFWSA-N 0 0 302.443 3.196 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000183969855 529447425 /nfs/dbraw/zinc/44/74/25/529447425.db2.gz PHPSGJWKCXNOBO-AWEZNQCLSA-N 0 0 310.357 3.036 10 30 DGEERN CCCN(Cc1ccc(C#N)o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000092710626 185335778 /nfs/dbraw/zinc/33/57/78/185335778.db2.gz CUIXUHHUEVGZDW-AWEZNQCLSA-N 0 0 311.385 3.390 10 30 DGEERN CN(CCC#N)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155930610 529867566 /nfs/dbraw/zinc/86/75/66/529867566.db2.gz ZEYCLNKAEQOAKC-NSHDSACASA-N 0 0 321.249 3.123 10 30 DGEERN C=CCNC(=O)c1ccc2cnn(Cc3cccc(OC)c3)c2c1 ZINC000064664707 432009241 /nfs/dbraw/zinc/00/92/41/432009241.db2.gz KFEXZCHCVQFBCX-UHFFFAOYSA-N 0 0 321.380 3.009 10 30 DGEERN CN(CCOc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182370357 529926900 /nfs/dbraw/zinc/92/69/00/529926900.db2.gz NNPXSVVXNNROHS-UHFFFAOYSA-N 0 0 320.392 3.393 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000277991342 213899663 /nfs/dbraw/zinc/89/96/63/213899663.db2.gz CXMKYRZQXZFCDO-MRXNPFEDSA-N 0 0 315.800 3.333 10 30 DGEERN CN(c1cccc(C#N)n1)C1CCN(c2cccc(F)c2)CC1 ZINC000301816738 530035468 /nfs/dbraw/zinc/03/54/68/530035468.db2.gz DVMHNKITOIDSIA-UHFFFAOYSA-N 0 0 310.376 3.198 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000130201835 432018095 /nfs/dbraw/zinc/01/80/95/432018095.db2.gz VHFKERUOYGWGIH-OAHLLOKOSA-N 0 0 322.364 3.287 10 30 DGEERN CCCCCCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816236 432019402 /nfs/dbraw/zinc/01/94/02/432019402.db2.gz QCOAFLNRUSGAOO-UHFFFAOYSA-N 0 0 318.465 3.264 10 30 DGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 ZINC000066712972 432019819 /nfs/dbraw/zinc/01/98/19/432019819.db2.gz SKXBBLHIOCNCHW-KBXCAEBGSA-N 0 0 306.365 3.160 10 30 DGEERN COc1ccccc1N1CCC(Nc2ncccc2C#N)CC1 ZINC000142751477 186032660 /nfs/dbraw/zinc/03/26/60/186032660.db2.gz DXMPFFGSFKPNHA-UHFFFAOYSA-N 0 0 308.385 3.043 10 30 DGEERN C=CCCCN(C)C(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000152629606 186091756 /nfs/dbraw/zinc/09/17/56/186091756.db2.gz ZCHVLCVTMPSRES-UHFFFAOYSA-N 0 0 313.401 3.432 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1O ZINC000067138972 432027429 /nfs/dbraw/zinc/02/74/29/432027429.db2.gz ROPZNHPAPYISAC-SNVBAGLBSA-N 0 0 316.744 3.323 10 30 DGEERN N#Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000072451256 191170043 /nfs/dbraw/zinc/17/00/43/191170043.db2.gz XISGLGPWXJVWIN-UHFFFAOYSA-N 0 0 315.332 3.166 10 30 DGEERN C=CCOCCCC(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000172999379 198175376 /nfs/dbraw/zinc/17/53/76/198175376.db2.gz MKTMTOGKSCWPRX-UHFFFAOYSA-N 0 0 307.781 3.148 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000173403424 198210809 /nfs/dbraw/zinc/21/08/09/198210809.db2.gz JOKIKOFASFQQRU-AWEZNQCLSA-N 0 0 322.474 3.394 10 30 DGEERN O=C(/C=C/c1ccc2nccnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000073222028 191294374 /nfs/dbraw/zinc/29/43/74/191294374.db2.gz JDRMUKWJRKOEPY-KRXBUXKQSA-N 0 0 305.293 3.434 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182488058 199448097 /nfs/dbraw/zinc/44/80/97/199448097.db2.gz QQZUSWWCKHHJHK-UHFFFAOYSA-N 0 0 322.290 3.268 10 30 DGEERN COc1cc(-c2noc([C@H](C)Oc3ccccc3C#N)n2)ccn1 ZINC000073340130 191306498 /nfs/dbraw/zinc/30/64/98/191306498.db2.gz UTQFGFTZBNCJEZ-NSHDSACASA-N 0 0 322.324 3.152 10 30 DGEERN C=C(Cl)COc1ccc(Br)cc1C(=O)OC ZINC000073711442 191345973 /nfs/dbraw/zinc/34/59/73/191345973.db2.gz SJQYTJNLHWGZBB-UHFFFAOYSA-N 0 0 305.555 3.367 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(C#N)cs1 ZINC000183765728 199639680 /nfs/dbraw/zinc/63/96/80/199639680.db2.gz RSOYPFZJBDIWPE-SNVBAGLBSA-N 0 0 316.430 3.371 10 30 DGEERN C[C@@H]1CC[C@H](C)N(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000075286950 191456514 /nfs/dbraw/zinc/45/65/14/191456514.db2.gz NGEQGVSHOWTLDH-KGLIPLIRSA-N 0 0 302.443 3.438 10 30 DGEERN CC(C)COC1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000077395842 191708378 /nfs/dbraw/zinc/70/83/78/191708378.db2.gz MRSSZBDABDQCEC-UHFFFAOYSA-N 0 0 311.429 3.448 10 30 DGEERN COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005257272 181223034 /nfs/dbraw/zinc/22/30/34/181223034.db2.gz NQVZORVVVPBZBJ-MHWRWJLKSA-N 0 0 301.302 3.058 10 30 DGEERN CC(=O)Oc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000005481175 181248591 /nfs/dbraw/zinc/24/85/91/181248591.db2.gz PQOLLLYOHDLHRX-UHFFFAOYSA-N 0 0 314.728 3.389 10 30 DGEERN Cc1noc(/N=C/N(C)C)c1Sc1ccccc1[N+](=O)[O-] ZINC000005600853 181262254 /nfs/dbraw/zinc/26/22/54/181262254.db2.gz GNCBABXYFZBAHM-RIYZIHGNSA-N 0 0 306.347 3.264 10 30 DGEERN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(C#N)cn1C ZINC000081031770 192217652 /nfs/dbraw/zinc/21/76/52/192217652.db2.gz ISWALLIDFQLGDK-LBPRGKRZSA-N 0 0 307.353 3.442 10 30 DGEERN COc1ccc([C@@H]2CC(=O)C=C(NCC(C)C)C2)cc1OC ZINC000005632882 181265888 /nfs/dbraw/zinc/26/58/88/181265888.db2.gz OWGQHZXDJYAXNR-AWEZNQCLSA-N 0 0 303.402 3.280 10 30 DGEERN C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000165702005 432057260 /nfs/dbraw/zinc/05/72/60/432057260.db2.gz ISOJACZTAWJAHD-BLLLJJGKSA-N 0 0 307.353 3.244 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000184712537 199755259 /nfs/dbraw/zinc/75/52/59/199755259.db2.gz BSINWUWTWHJYMZ-UHFFFAOYSA-N 0 0 308.381 3.024 10 30 DGEERN N#Cc1ccnc(NC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000436025815 283224981 /nfs/dbraw/zinc/22/49/81/283224981.db2.gz HEJLQVFJMPJAJS-UHFFFAOYSA-N 0 0 308.728 3.407 10 30 DGEERN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000005856896 181289640 /nfs/dbraw/zinc/28/96/40/181289640.db2.gz FYEBHIXHOFPERT-SXGWCWSVSA-N 0 0 309.321 3.259 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168771188 432069787 /nfs/dbraw/zinc/06/97/87/432069787.db2.gz BYCODZOKAQJFEJ-JSGCOSHPSA-N 0 0 315.335 3.257 10 30 DGEERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168701498 432069845 /nfs/dbraw/zinc/06/98/45/432069845.db2.gz QJIYHYRRUOEQGZ-LLVKDONJSA-N 0 0 312.822 3.165 10 30 DGEERN C=CCN(Cc1cn(C)nc1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000179901682 432073396 /nfs/dbraw/zinc/07/33/96/432073396.db2.gz OEYLSYQJRRBLEN-UHFFFAOYSA-N 0 0 314.389 3.079 10 30 DGEERN CCN(C(=O)[C@H]1CCCc2n[nH]cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000134714494 432084015 /nfs/dbraw/zinc/08/40/15/432084015.db2.gz AXDOHJAMPWVCJC-BBRMVZONSA-N 0 0 322.412 3.311 10 30 DGEERN CCN(C(=O)[C@@H]1CCCc2n[nH]cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000134714448 432084415 /nfs/dbraw/zinc/08/44/15/432084415.db2.gz AXDOHJAMPWVCJC-XJKSGUPXSA-N 0 0 322.412 3.311 10 30 DGEERN N#Cc1cc(Cl)ccc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187181839 200073893 /nfs/dbraw/zinc/07/38/93/200073893.db2.gz ISQCHIAIKIFGSA-NVXWUHKLSA-N 0 0 304.821 3.339 10 30 DGEERN CCOC(=O)[C@@H](CNc1nc(C)ccc1C#N)Cc1ccccc1 ZINC000180432629 432086036 /nfs/dbraw/zinc/08/60/36/432086036.db2.gz AEBYHIOJMYWGSV-QGZVFWFLSA-N 0 0 323.396 3.096 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccnc1SCCC(=O)OC ZINC000189063558 200343205 /nfs/dbraw/zinc/34/32/05/200343205.db2.gz MKEUJKBLHIHSSH-LBPRGKRZSA-N 0 0 322.430 3.278 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1COC(=O)C1 ZINC000189890398 200466233 /nfs/dbraw/zinc/46/62/33/200466233.db2.gz GPNJVAXWMVELLU-ZDUSSCGKSA-N 0 0 301.386 3.430 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1C ZINC000170990982 432093182 /nfs/dbraw/zinc/09/31/82/432093182.db2.gz YAXOQALLLFWVAB-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccccc2Cl)cc1 ZINC000006214014 181319967 /nfs/dbraw/zinc/31/99/67/181319967.db2.gz FBHQVYGTINOLBR-GZTJUZNOSA-N 0 0 322.817 3.303 10 30 DGEERN C=CCN(Cc1c(Cl)cnn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000189826172 432094422 /nfs/dbraw/zinc/09/44/22/432094422.db2.gz WQMMEEJDVKTGKF-UHFFFAOYSA-N 0 0 320.780 3.170 10 30 DGEERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C#N)ccn1 ZINC000436014634 238383870 /nfs/dbraw/zinc/38/38/70/238383870.db2.gz KEONVBAWRJUWBQ-UHFFFAOYSA-N 0 0 310.313 3.039 10 30 DGEERN CCCN(CCc1cccc(F)c1)C(=O)c1ccnc(C#N)c1 ZINC000193260411 201016264 /nfs/dbraw/zinc/01/62/64/201016264.db2.gz SGOYGFAKSHTSOI-UHFFFAOYSA-N 0 0 311.360 3.187 10 30 DGEERN N#CC1CCC(CNC(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000441142745 239013630 /nfs/dbraw/zinc/01/36/30/239013630.db2.gz GRKLYHRBJAJGAQ-UHFFFAOYSA-N 0 0 310.806 3.030 10 30 DGEERN COc1cc(CNc2ccc(F)c(C#N)c2)cc2c1OCCO2 ZINC000194609674 201262256 /nfs/dbraw/zinc/26/22/56/201262256.db2.gz JWEQAYLETHBXAO-UHFFFAOYSA-N 0 0 314.316 3.089 10 30 DGEERN Cc1ccc(C(C)(C)NC(=O)NCC2CCC(C#N)CC2)cn1 ZINC000442743283 239118026 /nfs/dbraw/zinc/11/80/26/239118026.db2.gz ZCEZZFNWAJOUIU-UHFFFAOYSA-N 0 0 314.433 3.254 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(Br)cc2F)ccn1 ZINC000194978241 201320050 /nfs/dbraw/zinc/32/00/50/201320050.db2.gz RSDHHPBVFRDUAJ-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1cc(C(=O)NCCCSc2ccc(F)cc2)ccn1 ZINC000195020480 201328239 /nfs/dbraw/zinc/32/82/39/201328239.db2.gz DJHRLECIXYKCRY-UHFFFAOYSA-N 0 0 315.373 3.005 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000189875777 432100205 /nfs/dbraw/zinc/10/02/05/432100205.db2.gz CQJFNCUAEWIEOI-HNNXBMFYSA-N 0 0 314.429 3.345 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)OCCc1ccccc1 ZINC000448844879 239907161 /nfs/dbraw/zinc/90/71/61/239907161.db2.gz BZZVYWJZYRPHAG-MAUKXSAKSA-N 0 0 302.418 3.079 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000275463606 212350488 /nfs/dbraw/zinc/35/04/88/212350488.db2.gz NTEREIMSNLIHRR-ACJLOTCBSA-N 0 0 321.465 3.353 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)Cc1ccc2c(c1)NCC2 ZINC000449069061 239999818 /nfs/dbraw/zinc/99/98/18/239999818.db2.gz VRXWAWBNJQGZAB-UHFFFAOYSA-N 0 0 312.438 3.473 10 30 DGEERN CCC1(CC)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451294009 241073341 /nfs/dbraw/zinc/07/33/41/241073341.db2.gz IRTLNAVRMFEOIJ-UHFFFAOYSA-N 0 0 324.421 3.039 10 30 DGEERN CCCC1(CNS(=O)(=O)Cc2ccc(F)cc2C#N)CCC1 ZINC000451317597 241078524 /nfs/dbraw/zinc/07/85/24/241078524.db2.gz LKFRRKFXLQSKOG-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN CC[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000451208340 241049821 /nfs/dbraw/zinc/04/98/21/241049821.db2.gz NNEAWMQIIFDHRL-ZDUSSCGKSA-N 0 0 324.421 3.039 10 30 DGEERN C=CCC1(C(=O)N(CCO)Cc2ccc(C)o2)CCCCC1 ZINC000451577066 241181386 /nfs/dbraw/zinc/18/13/86/241181386.db2.gz ZEOKTABSHGFVGZ-UHFFFAOYSA-N 0 0 305.418 3.436 10 30 DGEERN CCc1ccc([C@@H]2CCCN(C(=O)c3ccc(C#N)n3C)C2)cc1 ZINC000451712360 241214355 /nfs/dbraw/zinc/21/43/55/241214355.db2.gz PWOIKWZGTWTYKQ-QGZVFWFLSA-N 0 0 321.424 3.479 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000275328133 212274122 /nfs/dbraw/zinc/27/41/22/212274122.db2.gz YVBFXYKRMRJUNI-LLVKDONJSA-N 0 0 305.809 3.445 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@H]2CC)nnc1[C@@]1(C)CCCO1 ZINC000453466630 241797572 /nfs/dbraw/zinc/79/75/72/241797572.db2.gz OZOSUGBNCDTNBU-RHSMWYFYSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccccc1C(C)(F)F ZINC000453658847 241850467 /nfs/dbraw/zinc/85/04/67/241850467.db2.gz XYQYZFGWOBBJQU-UHFFFAOYSA-N 0 0 310.344 3.161 10 30 DGEERN C=CC[C@@H](CC)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000454247457 241899777 /nfs/dbraw/zinc/89/97/77/241899777.db2.gz UIPBUWOYXNPZGU-CYBMUJFWSA-N 0 0 318.808 3.220 10 30 DGEERN C=C(C)COCCNC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454694906 242011753 /nfs/dbraw/zinc/01/17/53/242011753.db2.gz PVDWECABBDVSTP-OAHLLOKOSA-N 0 0 304.390 3.109 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275261062 212231119 /nfs/dbraw/zinc/23/11/19/212231119.db2.gz OZEARKGAMDZGHG-GFCCVEGCSA-N 0 0 323.824 3.102 10 30 DGEERN C=CC(C)(C)CNC(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000455372535 242183386 /nfs/dbraw/zinc/18/33/86/242183386.db2.gz VDCDMJUFBBDYGK-UHFFFAOYSA-N 0 0 307.463 3.376 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000455517305 242223078 /nfs/dbraw/zinc/22/30/78/242223078.db2.gz FHGLWCAMWCBISO-SFHVURJKSA-N 0 0 300.402 3.184 10 30 DGEERN C=C(CC)CNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000455538263 242228518 /nfs/dbraw/zinc/22/85/18/242228518.db2.gz NRTWSCMVBKEKAG-OAHLLOKOSA-N 0 0 316.449 3.075 10 30 DGEERN COc1ccc(CSCC(=O)N2CCCC[C@H]2C)cc1C#N ZINC000135344660 432113775 /nfs/dbraw/zinc/11/37/75/432113775.db2.gz NTQYERFRTCWUBL-CYBMUJFWSA-N 0 0 318.442 3.201 10 30 DGEERN CO[C@H](C)[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455769448 242279752 /nfs/dbraw/zinc/27/97/52/242279752.db2.gz LLZRUVXPLVYYQQ-VXGBXAGGSA-N 0 0 319.405 3.280 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000456781992 242555989 /nfs/dbraw/zinc/55/59/89/242555989.db2.gz UENBSGPMMVZCNX-SNVBAGLBSA-N 0 0 310.756 3.017 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC1(C(C)(C)c2ccccc2)CC1 ZINC000456799743 242560178 /nfs/dbraw/zinc/56/01/78/242560178.db2.gz DEVPDGVGYXKKKP-UHFFFAOYSA-N 0 0 307.397 3.137 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000456806285 242562276 /nfs/dbraw/zinc/56/22/76/242562276.db2.gz KJVGYQYEHHQIED-MRXNPFEDSA-N 0 0 301.430 3.497 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC(C(C)(C)C)C2)cc1OC ZINC000457326300 242722424 /nfs/dbraw/zinc/72/24/24/242722424.db2.gz IHUWUJRAFNDYTE-UHFFFAOYSA-N 0 0 303.402 3.378 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@@](O)(C(F)F)C1)c1ccccc1 ZINC000458577446 243094106 /nfs/dbraw/zinc/09/41/06/243094106.db2.gz OVAASVAHZZOACN-PBHICJAKSA-N 0 0 324.371 3.105 10 30 DGEERN C=CCC[C@H](C(=O)N1CCC([C@H](C)O)CC1)c1ccccc1 ZINC000275166987 212165794 /nfs/dbraw/zinc/16/57/94/212165794.db2.gz RSDBPGIYUQARJZ-YJBOKZPZSA-N 0 0 301.430 3.356 10 30 DGEERN C=C(C)[C@@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccc(F)c(F)c1 ZINC000458685308 243125987 /nfs/dbraw/zinc/12/59/87/243125987.db2.gz WFSORQRFINNCOK-UHOFOFEASA-N 0 0 324.371 3.042 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)C1CCCC1 ZINC000459102127 243252110 /nfs/dbraw/zinc/25/21/10/243252110.db2.gz GZQXZEVCYVAMCP-AWEZNQCLSA-N 0 0 320.433 3.438 10 30 DGEERN C=CCC1(CNC(=O)NC(C)(C)c2noc(CC)n2)CCCC1 ZINC000459115966 243255451 /nfs/dbraw/zinc/25/54/51/243255451.db2.gz XGDHMWZROPVPGU-UHFFFAOYSA-N 0 0 320.437 3.303 10 30 DGEERN N#Cc1ccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)o1 ZINC000092973783 193190153 /nfs/dbraw/zinc/19/01/53/193190153.db2.gz NTJUMKHPEKGDMB-MRXNPFEDSA-N 0 0 304.296 3.003 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000467759889 244005343 /nfs/dbraw/zinc/00/53/43/244005343.db2.gz PONYCXHAXRCBHL-INIZCTEOSA-N 0 0 317.429 3.285 10 30 DGEERN C=CCCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000468372959 244039251 /nfs/dbraw/zinc/03/92/51/244039251.db2.gz OFQLZQDSGUDXPE-UHFFFAOYSA-N 0 0 316.445 3.186 10 30 DGEERN C=CCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000468392114 244039458 /nfs/dbraw/zinc/03/94/58/244039458.db2.gz KRQMYJWCBYETII-QGZVFWFLSA-N 0 0 316.445 3.222 10 30 DGEERN C=C(C)[C@@H](NC(=O)N(C)[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000275090653 212115039 /nfs/dbraw/zinc/11/50/39/212115039.db2.gz HZHFYEYIYTWSQJ-SWLSCSKDSA-N 0 0 310.344 3.012 10 30 DGEERN CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(C#N)o1 ZINC000093844782 193317496 /nfs/dbraw/zinc/31/74/96/193317496.db2.gz YBEUNYPUKGEXGJ-QGZVFWFLSA-N 0 0 312.369 3.278 10 30 DGEERN CC#CCCNC(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000483429996 244860085 /nfs/dbraw/zinc/86/00/85/244860085.db2.gz IBXKGIDKXUDUKQ-QGZVFWFLSA-N 0 0 304.409 3.448 10 30 DGEERN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181315071 432122998 /nfs/dbraw/zinc/12/29/98/432122998.db2.gz JPCQORVFLNSAIB-QWFMPGPPSA-N 0 0 315.417 3.086 10 30 DGEERN C=CCCCN(C)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000488201776 245160865 /nfs/dbraw/zinc/16/08/65/245160865.db2.gz REJFAMCNDNVGKM-UHFFFAOYSA-N 0 0 317.429 3.420 10 30 DGEERN N#Cc1ccc(SCC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000488970900 245255376 /nfs/dbraw/zinc/25/53/76/245255376.db2.gz CRVCTYKFGLXYRP-GFCCVEGCSA-N 0 0 310.369 3.344 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000124181481 284254389 /nfs/dbraw/zinc/25/43/89/284254389.db2.gz AJFXQONSODCMRD-CYBMUJFWSA-N 0 0 318.380 3.244 10 30 DGEERN N#Cc1ccc(OC2CCN(c3ccnc(C4CC4)n3)CC2)cc1 ZINC000264790840 204159245 /nfs/dbraw/zinc/15/92/45/204159245.db2.gz SKRIPAKFJVCQFW-UHFFFAOYSA-N 0 0 320.396 3.273 10 30 DGEERN C=CCNC(=O)c1ccc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nc1 ZINC000264848232 204207040 /nfs/dbraw/zinc/20/70/40/204207040.db2.gz IJVFENNQMNTHSI-KWOWKCNFSA-N 0 0 311.429 3.012 10 30 DGEERN N#Cc1cc(F)c(N2CC[C@@H](CNc3ccccn3)C2)c(F)c1 ZINC000171364713 432125034 /nfs/dbraw/zinc/12/50/34/432125034.db2.gz ANUKOCFLLFTTBI-LBPRGKRZSA-N 0 0 314.339 3.170 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490525492 245405685 /nfs/dbraw/zinc/40/56/85/245405685.db2.gz CJBSKZNZWNCWKR-LBPRGKRZSA-N 0 0 304.321 3.144 10 30 DGEERN CCOc1ccc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000013656669 181875141 /nfs/dbraw/zinc/87/51/41/181875141.db2.gz XJVSEWUKIWIUCY-FXKVCSJQSA-N 0 0 317.458 3.072 10 30 DGEERN COc1ccc(N(C)C(=O)c2ccc(C#N)cc2C)c(OC)c1 ZINC000127667179 284347828 /nfs/dbraw/zinc/34/78/28/284347828.db2.gz VTGIHQVZFUAKCU-UHFFFAOYSA-N 0 0 310.353 3.161 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000161437007 197494225 /nfs/dbraw/zinc/49/42/25/197494225.db2.gz SLBIRPDRACDQKP-KRWDZBQOSA-N 0 0 319.408 3.123 10 30 DGEERN CCc1cc(NC(=O)C(=O)Nc2cccc(C)c2C#N)ccc1C ZINC000190179709 432130254 /nfs/dbraw/zinc/13/02/54/432130254.db2.gz MYPLHFDNISHRHI-UHFFFAOYSA-N 0 0 321.380 3.315 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000160296123 197398271 /nfs/dbraw/zinc/39/82/71/197398271.db2.gz SLTNAZZGWFEWND-UHFFFAOYSA-N 0 0 306.369 3.114 10 30 DGEERN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)c(OC)c1 ZINC000020247618 182200475 /nfs/dbraw/zinc/20/04/75/182200475.db2.gz GDOQTTQKXLINPO-UHFFFAOYSA-N 0 0 323.396 3.489 10 30 DGEERN C=CCN(CC=C)C(=O)CN(CC(C)C)c1cccc(O)c1 ZINC000494546678 246161277 /nfs/dbraw/zinc/16/12/77/246161277.db2.gz ILWYUAVBZWXXCF-UHFFFAOYSA-N 0 0 302.418 3.055 10 30 DGEERN C=C(C)CNC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494819742 246197024 /nfs/dbraw/zinc/19/70/24/246197024.db2.gz HPKFIZZWMSOBFV-UHFFFAOYSA-N 0 0 303.793 3.396 10 30 DGEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]1c1ccco1 ZINC000246509617 432140514 /nfs/dbraw/zinc/14/05/14/432140514.db2.gz QNRHGEUXFUTSLP-RDJZCZTQSA-N 0 0 310.353 3.202 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC ZINC000274330642 211520257 /nfs/dbraw/zinc/52/02/57/211520257.db2.gz IUQYUVRIHHVMAZ-NSHDSACASA-N 0 0 321.373 3.031 10 30 DGEERN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000039436239 183017897 /nfs/dbraw/zinc/01/78/97/183017897.db2.gz KIXNQNDJCLZGEU-DHDCSXOGSA-N 0 0 316.273 3.045 10 30 DGEERN Cc1cc(Br)ccc1C(=O)NC1(C#N)CCCC1 ZINC000040222177 183046981 /nfs/dbraw/zinc/04/69/81/183046981.db2.gz UVXGDYUALCFQAG-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccco1 ZINC000040357973 183056178 /nfs/dbraw/zinc/05/61/78/183056178.db2.gz DMLNJZIWXXMEHO-HNNXBMFYSA-N 0 0 305.374 3.390 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 ZINC000041423897 183190939 /nfs/dbraw/zinc/19/09/39/183190939.db2.gz MTICJWPBBSRENT-KDOFPFPSSA-N 0 0 306.365 3.160 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(C#N)cc1F)C2 ZINC000106373351 194203052 /nfs/dbraw/zinc/20/30/52/194203052.db2.gz QTVUIKPXNRUNIC-UHFFFAOYSA-N 0 0 312.392 3.113 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1noc(C(C)C)n1 ZINC000159425255 197352555 /nfs/dbraw/zinc/35/25/55/197352555.db2.gz JLFNZYMVAPLTLL-UHFFFAOYSA-N 0 0 303.318 3.409 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000110370580 194326391 /nfs/dbraw/zinc/32/63/91/194326391.db2.gz BGCMGTBBYKRWSV-YOEHRIQHSA-N 0 0 320.392 3.172 10 30 DGEERN O=C(C=Cc1cc(Br)ccc1F)Nc1nc[nH]n1 ZINC000057989185 184065121 /nfs/dbraw/zinc/06/51/21/184065121.db2.gz HOMZDTLMTDPVGP-DAFODLJHSA-N 0 0 311.114 3.008 10 30 DGEERN COc1cc(C)c(CN(C)Cc2ccc(C#N)o2)cc1OC ZINC000120097860 195095366 /nfs/dbraw/zinc/09/53/66/195095366.db2.gz QVUALJFIDBIWDS-UHFFFAOYSA-N 0 0 300.358 3.109 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000249142864 285059606 /nfs/dbraw/zinc/05/96/06/285059606.db2.gz YHVFVRNDLOFRSY-YCPHGPKFSA-N 0 0 300.402 3.411 10 30 DGEERN N#Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)ccn1 ZINC000334013619 252985243 /nfs/dbraw/zinc/98/52/43/252985243.db2.gz XEUQBEOERCRRKB-SFHVURJKSA-N 0 0 317.392 3.363 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1ccc(OC)c(OC)c1OC)OCC ZINC000270086588 208145736 /nfs/dbraw/zinc/14/57/36/208145736.db2.gz WISRHTKIFADLCN-AWEZNQCLSA-N 0 0 323.389 3.022 10 30 DGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000120161627 195109789 /nfs/dbraw/zinc/10/97/89/195109789.db2.gz UBCRSGMZIMAKEI-KRWDZBQOSA-N 0 0 312.392 3.385 10 30 DGEERN CC[C@H](CC#N)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000158650055 197292013 /nfs/dbraw/zinc/29/20/13/197292013.db2.gz XDXXYBIWIWZEBJ-CHWSQXEVSA-N 0 0 313.323 3.151 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC000158247909 197257071 /nfs/dbraw/zinc/25/70/71/197257071.db2.gz JVGMSQQDSHHYED-QWHCGFSZSA-N 0 0 313.275 3.133 10 30 DGEERN N#Cc1cc(F)ccc1N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343240031 254119329 /nfs/dbraw/zinc/11/93/29/254119329.db2.gz VMGMCKHWYHXKBK-NVXWUHKLSA-N 0 0 300.308 3.149 10 30 DGEERN C[C@@H](CO)[C@@H](C)Nc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000156649578 197129904 /nfs/dbraw/zinc/12/99/04/197129904.db2.gz KWAZXBZBIKIRFT-DTWKUNHWSA-N 0 0 307.756 3.328 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000155016991 197014705 /nfs/dbraw/zinc/01/47/05/197014705.db2.gz SRCVXUXWBCLWEB-QZTJIDSGSA-N 0 0 314.429 3.088 10 30 DGEERN N#Cc1ccc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)nc1 ZINC000120411520 195160336 /nfs/dbraw/zinc/16/03/36/195160336.db2.gz LEFJIFGCVYHPCF-CQSZACIVSA-N 0 0 314.776 3.049 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000153169430 196856963 /nfs/dbraw/zinc/85/69/63/196856963.db2.gz OVLLTKYZLADLMX-MRXNPFEDSA-N 0 0 314.429 3.159 10 30 DGEERN COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000120884741 195256969 /nfs/dbraw/zinc/25/69/69/195256969.db2.gz IUPFBSLMVANNKC-QGZVFWFLSA-N 0 0 324.428 3.254 10 30 DGEERN Cc1sc2nc(C)nc(Sc3cnc(C#N)cn3)c2c1C ZINC000120883243 195257112 /nfs/dbraw/zinc/25/71/12/195257112.db2.gz MVUMPKWJLUAPGF-UHFFFAOYSA-N 0 0 313.411 3.429 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 ZINC000288912537 335058761 /nfs/dbraw/zinc/05/87/61/335058761.db2.gz GYILBWBQQFHJPU-NSHDSACASA-N 0 0 321.402 3.178 10 30 DGEERN COc1ccc(CNc2cnc(C#N)cn2)c(OC2CCCC2)c1 ZINC000126279760 195825875 /nfs/dbraw/zinc/82/58/75/195825875.db2.gz HXMOUGPHWKDSPR-UHFFFAOYSA-N 0 0 324.384 3.290 10 30 DGEERN COc1ccc(C(=O)CCCC(=O)NC2(C#N)CCCC2)cc1 ZINC000104524965 533279445 /nfs/dbraw/zinc/27/94/45/533279445.db2.gz KAJZRIGUOSVLAR-UHFFFAOYSA-N 0 0 314.385 3.001 10 30 DGEERN COc1ccc(C2(C(=O)Nc3cc(C#N)ccn3)CCC2)cc1 ZINC000435996411 533424290 /nfs/dbraw/zinc/42/42/90/533424290.db2.gz QQUSYQSYUWJPHZ-UHFFFAOYSA-N 0 0 307.353 3.022 10 30 DGEERN COc1ccc(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000182260472 533494919 /nfs/dbraw/zinc/49/49/19/533494919.db2.gz LVBJMMAXINCYBL-UHFFFAOYSA-N 0 0 320.392 3.223 10 30 DGEERN C#C[C@H](OC(=O)c1ccc(Br)cc1OC)C1CC1 ZINC000152326339 685094769 /nfs/dbraw/zinc/09/47/69/685094769.db2.gz HEEBRGFFMKWVGV-LBPRGKRZSA-N 0 0 309.159 3.026 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(C(=O)C(C)(C)C#N)[C@H](C)CO2)c1 ZINC000174706939 292088286 /nfs/dbraw/zinc/08/82/86/292088286.db2.gz CXPUNQUQVNOZNN-GDBMZVCRSA-N 0 0 300.402 3.142 10 30 DGEERN Cc1nc(CC2CC2)sc1C(=O)N[C@@](C)(C#N)CC(C)C ZINC000616166594 400093764 /nfs/dbraw/zinc/09/37/64/400093764.db2.gz SPWUJZXQJFPMMF-MRXNPFEDSA-N 0 0 305.447 3.462 10 30 DGEERN Cc1ccc(NC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cn1 ZINC000616177092 400095131 /nfs/dbraw/zinc/09/51/31/400095131.db2.gz NBUSXEWPGFLWCR-HNNXBMFYSA-N 0 0 302.337 3.184 10 30 DGEERN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247961 400108838 /nfs/dbraw/zinc/10/88/38/400108838.db2.gz CXJAGXGLRKMUDB-UGSOOPFHSA-N 0 0 305.381 3.433 10 30 DGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1sc(C)nc1C ZINC000328644302 400184178 /nfs/dbraw/zinc/18/41/78/400184178.db2.gz ZCEZDKHWMLTPMQ-DGCLKSJQSA-N 0 0 320.418 3.342 10 30 DGEERN C[N@H+](CC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754297 400138753 /nfs/dbraw/zinc/13/87/53/400138753.db2.gz GHOJZRSZERKYGR-UHFFFAOYSA-N 0 0 307.397 3.364 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(CC(C)C)no1 ZINC000600762281 400146157 /nfs/dbraw/zinc/14/61/57/400146157.db2.gz QARFACRXTAIDSM-UHFFFAOYSA-N 0 0 317.345 3.484 10 30 DGEERN N#Cc1ccsc1C(=O)N1CCCO[C@H](c2ccccc2)C1 ZINC000609230633 400152628 /nfs/dbraw/zinc/15/26/28/400152628.db2.gz NSERFXQNGRFGMH-HNNXBMFYSA-N 0 0 312.394 3.224 10 30 DGEERN N#Cc1ccc(CNC(=O)CCSc2ccccc2)c(F)c1 ZINC000609230039 400153117 /nfs/dbraw/zinc/15/31/17/400153117.db2.gz NAPXLUUJKSGMSV-UHFFFAOYSA-N 0 0 314.385 3.496 10 30 DGEERN O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000013781662 400153338 /nfs/dbraw/zinc/15/33/38/400153338.db2.gz LYPLMBSZQGCKEL-INIZCTEOSA-N 0 0 322.364 3.204 10 30 DGEERN N#Cc1ccc(CNC(=O)Nc2cccc(F)c2F)c(F)c1 ZINC000609252902 400154385 /nfs/dbraw/zinc/15/43/85/400154385.db2.gz WNXBLURKZITYOR-UHFFFAOYSA-N 0 0 305.259 3.297 10 30 DGEERN CN(Cc1cccs1)C(=O)NCc1ccc(C#N)cc1F ZINC000609253791 400155169 /nfs/dbraw/zinc/15/51/69/400155169.db2.gz KZZCHJYLLIKMCZ-UHFFFAOYSA-N 0 0 303.362 3.100 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC000616483565 400156657 /nfs/dbraw/zinc/15/66/57/400156657.db2.gz GGOWQUHASWEHKQ-MSOLQXFVSA-N 0 0 320.477 3.323 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2cccc(F)c2C#N)cc1 ZINC000600847681 400168392 /nfs/dbraw/zinc/16/83/92/400168392.db2.gz NBGUYXGKFMCNGI-UHFFFAOYSA-N 0 0 309.344 3.225 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000015801025 400168653 /nfs/dbraw/zinc/16/86/53/400168653.db2.gz ROMRWHIILWXRLQ-ZDUSSCGKSA-N 0 0 306.365 3.453 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O ZINC000601067853 400220251 /nfs/dbraw/zinc/22/02/51/400220251.db2.gz DCZQOICLERYLPE-CVEARBPZSA-N 0 0 311.385 3.308 10 30 DGEERN Cc1csc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)n1 ZINC000610350101 400247329 /nfs/dbraw/zinc/24/73/29/400247329.db2.gz RDBYNNLBWSBSFG-NEPJUHHUSA-N 0 0 314.414 3.445 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1cccc1 ZINC000610424758 400257141 /nfs/dbraw/zinc/25/71/41/400257141.db2.gz ARWIJILPUXVYES-UHFFFAOYSA-N 0 0 313.357 3.001 10 30 DGEERN COC[C@@H]1CCCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092665625 400191424 /nfs/dbraw/zinc/19/14/24/400191424.db2.gz KNPKLJQJJWIBPL-ZDUSSCGKSA-N 0 0 301.777 3.375 10 30 DGEERN COC[C@H]1CCCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092665629 400191428 /nfs/dbraw/zinc/19/14/28/400191428.db2.gz KNPKLJQJJWIBPL-CYBMUJFWSA-N 0 0 301.777 3.375 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012942 400207550 /nfs/dbraw/zinc/20/75/50/400207550.db2.gz LNWOTFLWJNPNAU-ZDUSSCGKSA-N 0 0 320.389 3.313 10 30 DGEERN C=CCCCCCNC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000616698230 400207645 /nfs/dbraw/zinc/20/76/45/400207645.db2.gz ZICJAWDAKJJLAI-LBPRGKRZSA-N 0 0 303.328 3.239 10 30 DGEERN C[C@@H]1CN(C(=O)CCCCCC#N)C[C@H](c2ccccc2)O1 ZINC000588310092 400210704 /nfs/dbraw/zinc/21/07/04/400210704.db2.gz IJGJGHDXISTSJG-NVXWUHKLSA-N 0 0 300.402 3.449 10 30 DGEERN N#Cc1c(Cl)nsc1N[C@@H](CO)c1ccc(Cl)cc1 ZINC000092960800 400215979 /nfs/dbraw/zinc/21/59/79/400215979.db2.gz FOEWQSINXNKKEU-JTQLQIEISA-N 0 0 314.197 3.467 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)SCc1nc(C2CCC2)no1 ZINC000601057934 400217274 /nfs/dbraw/zinc/21/72/74/400217274.db2.gz DXCODKIPJGZTDM-GFCCVEGCSA-N 0 0 321.446 3.159 10 30 DGEERN Cc1cc(C(=O)N(C)c2cccc(C#N)c2)nn1-c1ccccc1 ZINC000067935666 400217788 /nfs/dbraw/zinc/21/77/88/400217788.db2.gz WJOAYVKFEATBFS-UHFFFAOYSA-N 0 0 316.364 3.329 10 30 DGEERN Cc1ccccc1-n1nccc1NC(=O)Cc1cccc(C#N)c1 ZINC000610522033 400270641 /nfs/dbraw/zinc/27/06/41/400270641.db2.gz VUGZFYUJZNIRNT-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN N#CCn1c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc2ccccc21 ZINC000610548870 400275305 /nfs/dbraw/zinc/27/53/05/400275305.db2.gz YIMGYENYYWJQHM-HOTGVXAUSA-N 0 0 307.397 3.427 10 30 DGEERN Cc1nc(C)c(NC(=O)c2cc3ccccc3n2CC#N)s1 ZINC000610577966 400276646 /nfs/dbraw/zinc/27/66/46/400276646.db2.gz ISXYQLMIYBDGBF-UHFFFAOYSA-N 0 0 310.382 3.491 10 30 DGEERN N#Cc1ccsc1C(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610602214 400280515 /nfs/dbraw/zinc/28/05/15/400280515.db2.gz CFGSEUFCEHFDQA-UHFFFAOYSA-N 0 0 314.263 3.106 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccsc1 ZINC000617034783 400286733 /nfs/dbraw/zinc/28/67/33/400286733.db2.gz DJTCRHQRDJJYBL-ZFWWWQNUSA-N 0 0 320.458 3.119 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000617035095 400286825 /nfs/dbraw/zinc/28/68/25/400286825.db2.gz HMVBKECEMSZAMK-BFYDXBDKSA-N 0 0 314.429 3.056 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000617034881 400287018 /nfs/dbraw/zinc/28/70/18/400287018.db2.gz FMOGISBPAAXCHH-HZPDHXFCSA-N 0 0 315.413 3.251 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(OC)ccc1OC ZINC000617036669 400287638 /nfs/dbraw/zinc/28/76/38/400287638.db2.gz CRTHMOCRZGALBO-RHSMWYFYSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000617035824 400287840 /nfs/dbraw/zinc/28/78/40/400287840.db2.gz SXSUDDHHQCADBE-CVEARBPZSA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000617036580 400287855 /nfs/dbraw/zinc/28/78/55/400287855.db2.gz BYULVEGWZLIASV-AEFFLSMTSA-N 0 0 324.428 3.191 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cc(OC)ccc1OC ZINC000617036670 400287909 /nfs/dbraw/zinc/28/79/09/400287909.db2.gz CRTHMOCRZGALBO-WMLDXEAASA-N 0 0 317.429 3.497 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000617036862 400288048 /nfs/dbraw/zinc/28/80/48/400288048.db2.gz GBORJNNIAFELNU-XJKSGUPXSA-N 0 0 312.413 3.436 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc2cc(C)nn2c1C ZINC000617036993 400288237 /nfs/dbraw/zinc/28/82/37/400288237.db2.gz HCQADQTYOZMPPY-GDBMZVCRSA-N 0 0 312.417 3.211 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000617037951 400288280 /nfs/dbraw/zinc/28/82/80/400288280.db2.gz SWQCEZGMOIERDX-HZMVEIRTSA-N 0 0 309.450 3.212 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCOc1cccnc1 ZINC000617039943 400288689 /nfs/dbraw/zinc/28/86/89/400288689.db2.gz NMCKQFZCRHHVOX-NVXWUHKLSA-N 0 0 302.418 3.492 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCOc1cccnc1 ZINC000617039944 400288695 /nfs/dbraw/zinc/28/86/95/400288695.db2.gz NMCKQFZCRHHVOX-RDJZCZTQSA-N 0 0 302.418 3.492 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](OC)c1ccc(O)cc1 ZINC000617041789 400289758 /nfs/dbraw/zinc/28/97/58/400289758.db2.gz IWTZSZGKZOKLKZ-XOKHGSTOSA-N 0 0 303.402 3.331 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1scc2c1OCCO2 ZINC000617045232 400291708 /nfs/dbraw/zinc/29/17/08/400291708.db2.gz XVCLJUIIEFQQJP-VXGBXAGGSA-N 0 0 307.415 3.384 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000617045009 400292092 /nfs/dbraw/zinc/29/20/92/400292092.db2.gz WJGVRBGQPMNABV-GOEBONIOSA-N 0 0 301.434 3.013 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nn(CC)c1C ZINC000617045325 400292129 /nfs/dbraw/zinc/29/21/29/400292129.db2.gz ZCRQUZWVTUYYAC-WBVHZDCISA-N 0 0 303.450 3.313 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000617044608 400292392 /nfs/dbraw/zinc/29/23/92/400292392.db2.gz PXLCQECDQCNUED-FGTMMUONSA-N 0 0 301.430 3.231 10 30 DGEERN CCc1nnc(N2CC(Cc3cccc(C)c3)C2)c(C#N)c1CC ZINC000610716411 400295195 /nfs/dbraw/zinc/29/51/95/400295195.db2.gz HVPBXLRSUNCBNP-UHFFFAOYSA-N 0 0 320.440 3.460 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601654483 400323779 /nfs/dbraw/zinc/32/37/79/400323779.db2.gz HMAVGJFVBCBEJG-KGLIPLIRSA-N 0 0 307.434 3.169 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C(C)C ZINC000068883346 400298275 /nfs/dbraw/zinc/29/82/75/400298275.db2.gz WPMWIAXGLNMPMH-CYBMUJFWSA-N 0 0 305.378 3.337 10 30 DGEERN CC(C)(CCn1cc(Br)cc(C#N)c1=O)C1CC1 ZINC000406004540 400300563 /nfs/dbraw/zinc/30/05/63/400300563.db2.gz CWNNTPWUJKAYDP-UHFFFAOYSA-N 0 0 309.207 3.309 10 30 DGEERN CC(C)(C)OC(=O)N1CC(N[C@@H](C#N)c2cccc(Cl)c2)C1 ZINC000409437765 400301067 /nfs/dbraw/zinc/30/10/67/400301067.db2.gz BEVPGBOFGKRCLH-AWEZNQCLSA-N 0 0 321.808 3.114 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](NC(C)=O)C2CCCC2)CCCC1 ZINC000617416407 400384319 /nfs/dbraw/zinc/38/43/19/400384319.db2.gz OWUYGPZYJSXODA-QGZVFWFLSA-N 0 0 320.477 3.324 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)NC(=O)c2ccoc2)CCCC1 ZINC000617416185 400384429 /nfs/dbraw/zinc/38/44/29/400384429.db2.gz FCLKTJRETRBCJS-AWEZNQCLSA-N 0 0 318.417 3.041 10 30 DGEERN C=CCCC1(CNC(=O)CCNC(=O)c2ccco2)CCCC1 ZINC000617415286 400384478 /nfs/dbraw/zinc/38/44/78/400384478.db2.gz FOEWSQCISIAPCY-UHFFFAOYSA-N 0 0 318.417 3.042 10 30 DGEERN N#Cc1cccc(-c2nc3c(o2)CCN(c2ccccn2)C3)c1 ZINC000113980389 400384501 /nfs/dbraw/zinc/38/45/01/400384501.db2.gz VIILOWQQKFGXGP-UHFFFAOYSA-N 0 0 302.337 3.171 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCc3nn(C)cc32)CCCC1 ZINC000617418236 400385030 /nfs/dbraw/zinc/38/50/30/400385030.db2.gz XFMNLXPZVORBFI-HNNXBMFYSA-N 0 0 315.461 3.483 10 30 DGEERN C=CCCC1(CNC(=O)COc2c(C)nn(C)c2C)CCCC1 ZINC000617417021 400385206 /nfs/dbraw/zinc/38/52/06/400385206.db2.gz IBFBOTBYWNEZEW-UHFFFAOYSA-N 0 0 319.449 3.059 10 30 DGEERN C=CCCC1(CNC(=O)CCC(=O)N(CC)CC)CCCC1 ZINC000617417426 400385290 /nfs/dbraw/zinc/38/52/90/400385290.db2.gz YMWGTHLWROQPIO-UHFFFAOYSA-N 0 0 308.466 3.278 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)CCCC1 ZINC000617417738 400385475 /nfs/dbraw/zinc/38/54/75/400385475.db2.gz DRWAPJRSGUMHMG-HUUCEWRRSA-N 0 0 301.434 3.166 10 30 DGEERN C=CCCCCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000578546532 400329507 /nfs/dbraw/zinc/32/95/07/400329507.db2.gz HSFALRYKEOFMGJ-AWEZNQCLSA-N 0 0 322.371 3.222 10 30 DGEERN C=CCn1c(CCC2CCCCC2)nnc1N(C)[C@H]1CCOC1 ZINC000578471722 400329699 /nfs/dbraw/zinc/32/96/99/400329699.db2.gz JTFADCAFMKJOGV-INIZCTEOSA-N 0 0 318.465 3.202 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000579103416 400336025 /nfs/dbraw/zinc/33/60/25/400336025.db2.gz LSXVCSRFTSOMSG-UGSOOPFHSA-N 0 0 324.424 3.368 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC000579458896 400339104 /nfs/dbraw/zinc/33/91/04/400339104.db2.gz UKXJRHJCPIWMKL-GDBMZVCRSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCCCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579608660 400340613 /nfs/dbraw/zinc/34/06/13/400340613.db2.gz ZUTGUDKWPGGGAT-UHFFFAOYSA-N 0 0 315.373 3.481 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1C[C@H](C)C[C@@H]1C ZINC000579591773 400340930 /nfs/dbraw/zinc/34/09/30/400340930.db2.gz NZGJIRJTEBCBJQ-MNOVXSKESA-N 0 0 303.435 3.131 10 30 DGEERN CC(C)(C#N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601729750 400341186 /nfs/dbraw/zinc/34/11/86/400341186.db2.gz YFVBOWHMYONGAC-KRWDZBQOSA-N 0 0 313.445 3.097 10 30 DGEERN CC#CCN(C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000579881969 400342640 /nfs/dbraw/zinc/34/26/40/400342640.db2.gz LAFXROHBUAJTMX-UHFFFAOYSA-N 0 0 308.219 3.208 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000589974016 400344109 /nfs/dbraw/zinc/34/41/09/400344109.db2.gz LLVWDQWYDUWTHF-UHFFFAOYSA-N 0 0 321.336 3.153 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)OC ZINC000601770229 400346559 /nfs/dbraw/zinc/34/65/59/400346559.db2.gz BAXWETRLZCYVCM-LBPRGKRZSA-N 0 0 303.383 3.139 10 30 DGEERN C=CCCCCCNC(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000580901246 400348045 /nfs/dbraw/zinc/34/80/45/400348045.db2.gz NUHINVILIAHUHQ-HKUYNNGSSA-N 0 0 316.445 3.198 10 30 DGEERN C=C(C)C[C@H](NC(=O)CC/C=C/c1ccccc1)C(=O)OC ZINC000601781552 400348277 /nfs/dbraw/zinc/34/82/77/400348277.db2.gz JAKWKXGQFXWHJS-BPLPYTOXSA-N 0 0 301.386 3.104 10 30 DGEERN CCCCc1ccc(C(=O)CCC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108830749 400348407 /nfs/dbraw/zinc/34/84/07/400348407.db2.gz PAOPQGBYESUQGT-QGZVFWFLSA-N 0 0 312.413 3.410 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1cccc(C(F)F)c1F)C(=O)OC ZINC000601784404 400349370 /nfs/dbraw/zinc/34/93/70/400349370.db2.gz IEPAFYDNPFZEFI-LLVKDONJSA-N 0 0 315.291 3.001 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000581259914 400351969 /nfs/dbraw/zinc/35/19/69/400351969.db2.gz WEPOASUHXIWMCD-NRFANRHFSA-N 0 0 312.410 3.431 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@@H](CC)COCC2CC2)cc1 ZINC000617327490 400354070 /nfs/dbraw/zinc/35/40/70/400354070.db2.gz PYYSFHMOVZKHAK-INIZCTEOSA-N 0 0 303.402 3.186 10 30 DGEERN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000601817839 400356621 /nfs/dbraw/zinc/35/66/21/400356621.db2.gz LUCVSHKNIIUQCY-HUUCEWRRSA-N 0 0 314.385 3.024 10 30 DGEERN CC(C)C[C@@H](C#N)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000611251210 400365585 /nfs/dbraw/zinc/36/55/85/400365585.db2.gz RPHDYDGSPOTUJG-RDJZCZTQSA-N 0 0 313.401 3.016 10 30 DGEERN Cc1onc(CC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1C#N ZINC000611527613 400416030 /nfs/dbraw/zinc/41/60/30/400416030.db2.gz FUYSYLLPGSBGDR-NVXWUHKLSA-N 0 0 323.396 3.240 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000602121246 400416207 /nfs/dbraw/zinc/41/62/07/400416207.db2.gz ZEVKCGMPMJLLKX-GFCCVEGCSA-N 0 0 313.319 3.472 10 30 DGEERN C=CCN(C(=O)CCCc1ccc(F)c(F)c1)[C@@H](C)COC ZINC000617579359 400417188 /nfs/dbraw/zinc/41/71/88/400417188.db2.gz BOCALCKRCRRTTB-ZDUSSCGKSA-N 0 0 311.372 3.337 10 30 DGEERN C=CCN(C(=O)c1ccc([C@H]2CCCOC2)cc1)[C@H](C)COC ZINC000617580979 400418414 /nfs/dbraw/zinc/41/84/14/400418414.db2.gz IWTRGZDDGCVFDH-QAPCUYQASA-N 0 0 317.429 3.244 10 30 DGEERN C=CCN(C(=O)CCCC(=O)c1ccc(C)cc1)[C@H](C)COC ZINC000617582572 400418742 /nfs/dbraw/zinc/41/87/42/400418742.db2.gz PSOSSDBVKXGEDD-MRXNPFEDSA-N 0 0 317.429 3.398 10 30 DGEERN C=CCOCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000611544947 400418828 /nfs/dbraw/zinc/41/88/28/400418828.db2.gz CSAWCJWMQSMLAM-UHFFFAOYSA-N 0 0 322.364 3.283 10 30 DGEERN C=CCN(C(=O)c1ocnc1-c1ccccc1)[C@H](C)COC ZINC000617583067 400419430 /nfs/dbraw/zinc/41/94/30/400419430.db2.gz AFLKZIQHQXCGCA-CYBMUJFWSA-N 0 0 300.358 3.005 10 30 DGEERN C=CCN(C(=O)c1cc(F)cc2ccncc21)[C@@H](C)COC ZINC000617585118 400420004 /nfs/dbraw/zinc/42/00/04/400420004.db2.gz UMJOFKOWXGBFEB-LBPRGKRZSA-N 0 0 302.349 3.037 10 30 DGEERN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Cc1cccc(C#N)c1 ZINC000611548123 400420114 /nfs/dbraw/zinc/42/01/14/400420114.db2.gz FHPFZOVPGRHNOO-BXUZGUMPSA-N 0 0 310.319 3.290 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000617621299 400428100 /nfs/dbraw/zinc/42/81/00/400428100.db2.gz CVMQMFAEIVZDEV-HNNXBMFYSA-N 0 0 315.335 3.263 10 30 DGEERN N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000119413387 400436276 /nfs/dbraw/zinc/43/62/76/400436276.db2.gz BTGYTLOWTQLZKZ-FZMZJTMJSA-N 0 0 309.207 3.284 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@](C)(COCc1ccccc1)OC ZINC000617680524 400443188 /nfs/dbraw/zinc/44/31/88/400443188.db2.gz JRPSFZUAZHUSBP-LPHOPBHVSA-N 0 0 319.445 3.327 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](C)O1 ZINC000602342987 400443335 /nfs/dbraw/zinc/44/33/35/400443335.db2.gz OEZJLBNSVPWMBZ-KBVBSXBZSA-N 0 0 323.190 3.073 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)c2ccnc(N3CC[C@@H](C)C3)c2)C1 ZINC000617783307 400453457 /nfs/dbraw/zinc/45/34/57/400453457.db2.gz XZEMZNLHAKYIGH-HZPDHXFCSA-N 0 0 313.445 3.356 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ccnc(N3CC[C@H](C)C3)c2)C1 ZINC000617783306 400453644 /nfs/dbraw/zinc/45/36/44/400453644.db2.gz XZEMZNLHAKYIGH-HOTGVXAUSA-N 0 0 313.445 3.356 10 30 DGEERN C=C[C@@H](CC(=O)Nc1ccc(C(=O)OC)nc1)c1ccccc1 ZINC000611876709 400460902 /nfs/dbraw/zinc/46/09/02/400460902.db2.gz GJBAWPJCQOCIFN-ZDUSSCGKSA-N 0 0 310.353 3.167 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000044340448 400488903 /nfs/dbraw/zinc/48/89/03/400488903.db2.gz LRWPVZBPYUOVMO-AWEZNQCLSA-N 0 0 320.458 3.025 10 30 DGEERN C[C@H](CC(=O)NC1(C#N)CC1)c1ccc(Br)cc1 ZINC000126101712 400489790 /nfs/dbraw/zinc/48/97/90/400489790.db2.gz ULJONGIBMCVADC-SNVBAGLBSA-N 0 0 307.191 3.115 10 30 DGEERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2C)C12CCCC2 ZINC000126342145 400491400 /nfs/dbraw/zinc/49/14/00/400491400.db2.gz BRPPQXDPLBXELL-SJORKVTESA-N 0 0 312.413 3.334 10 30 DGEERN C=CCN(C(=O)[C@@H]1C[C@H]1CCC)c1nc(C(=O)OCC)cs1 ZINC000074723248 400530239 /nfs/dbraw/zinc/53/02/39/400530239.db2.gz CQLWWBWHUUAASB-VXGBXAGGSA-N 0 0 322.430 3.275 10 30 DGEERN C[C@]1(C#N)CCCN(C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000612369774 400532287 /nfs/dbraw/zinc/53/22/87/400532287.db2.gz VMZFCOOVSKMZHQ-LJQANCHMSA-N 0 0 323.396 3.025 10 30 DGEERN C=CCC1(NC(=O)CCC(=O)c2cccc(F)c2)CCOCC1 ZINC000618249083 400551202 /nfs/dbraw/zinc/55/12/02/400551202.db2.gz GBMYZJBDFDKLCO-UHFFFAOYSA-N 0 0 319.376 3.030 10 30 DGEERN C=CCC1(NC(=O)c2cc(F)cc3ccncc32)CCOCC1 ZINC000618252213 400552362 /nfs/dbraw/zinc/55/23/62/400552362.db2.gz DCOKTJLZEFQGKA-UHFFFAOYSA-N 0 0 314.360 3.229 10 30 DGEERN C=C(C)C[C@@H](NCc1sccc1Br)C(=O)OC ZINC000602732397 400556269 /nfs/dbraw/zinc/55/62/69/400556269.db2.gz BNQGMNCPOMFEAO-SNVBAGLBSA-N 0 0 318.236 3.108 10 30 DGEERN C=C(C)C[C@H](NC/C(C)=C/c1ccccc1COC)C(=O)OC ZINC000602733042 400556948 /nfs/dbraw/zinc/55/69/48/400556948.db2.gz HDKVYDDHEPYDEE-OTMARIDSSA-N 0 0 317.429 3.334 10 30 DGEERN C=C(C)C[C@@H](NCc1cc(Br)cs1)C(=O)OC ZINC000602734477 400556976 /nfs/dbraw/zinc/55/69/76/400556976.db2.gz ZLVVTDZFXWOTNR-LLVKDONJSA-N 0 0 318.236 3.108 10 30 DGEERN C=C(C)C[C@H](NCc1cnc(-c2ccco2)s1)C(=O)OC ZINC000602735615 400558634 /nfs/dbraw/zinc/55/86/34/400558634.db2.gz YOWIWUALXJTLLV-LBPRGKRZSA-N 0 0 306.387 3.001 10 30 DGEERN C=C(C)C[C@@H](NCc1ccc(C(F)(F)F)s1)C(=O)OC ZINC000602735369 400558783 /nfs/dbraw/zinc/55/87/83/400558783.db2.gz VZYSIBINKIYVLL-SNVBAGLBSA-N 0 0 307.337 3.364 10 30 DGEERN C=C(C)C[C@@H](N[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739049 400559188 /nfs/dbraw/zinc/55/91/88/400559188.db2.gz PHBUILLZARXBPV-OKDNKWQNSA-N 0 0 317.429 3.285 10 30 DGEERN C=CCOc1cccc(CNCc2cc(C)c(C(=O)OC)o2)c1 ZINC000602742584 400561026 /nfs/dbraw/zinc/56/10/26/400561026.db2.gz HVXYHTQBPWVIPJ-UHFFFAOYSA-N 0 0 315.369 3.229 10 30 DGEERN C=CCC[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000612708095 400590224 /nfs/dbraw/zinc/59/02/24/400590224.db2.gz HMQMYCLVUVWXOP-CVEARBPZSA-N 0 0 309.413 3.338 10 30 DGEERN C=CCOCCCNC(=O)c1occc1COc1ccccc1 ZINC000618515077 400608407 /nfs/dbraw/zinc/60/84/07/400608407.db2.gz SYSPWEABEWFLSR-UHFFFAOYSA-N 0 0 315.369 3.181 10 30 DGEERN C=CCOCCCNC(=O)C1(c2ccccc2F)CCCC1 ZINC000618515599 400609262 /nfs/dbraw/zinc/60/92/62/400609262.db2.gz XIXAPNBZMJTFDS-UHFFFAOYSA-N 0 0 305.393 3.346 10 30 DGEERN C=CCOCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000618516484 400609307 /nfs/dbraw/zinc/60/93/07/400609307.db2.gz AHLMQAHZDZCCBE-UHFFFAOYSA-N 0 0 306.164 3.455 10 30 DGEERN C=CCOCCCNC(=O)c1sc(C)nc1-c1ccccc1 ZINC000618517087 400609492 /nfs/dbraw/zinc/60/94/92/400609492.db2.gz ISAISKLTZCBQQL-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN C=CCOCCCNC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000618521257 400610964 /nfs/dbraw/zinc/61/09/64/400610964.db2.gz QWGTUNIHHJGIEM-MRXNPFEDSA-N 0 0 317.429 3.214 10 30 DGEERN C=CCOCCCNC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000618525311 400611283 /nfs/dbraw/zinc/61/12/83/400611283.db2.gz AZVNYDNSJJUJMW-UHFFFAOYSA-N 0 0 319.792 3.053 10 30 DGEERN C=CCOCCCNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000618524789 400611321 /nfs/dbraw/zinc/61/13/21/400611321.db2.gz PQIPFGSVJSMJFB-UHFFFAOYSA-N 0 0 306.164 3.455 10 30 DGEERN C=CCOCCCNC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000618525254 400611376 /nfs/dbraw/zinc/61/13/76/400611376.db2.gz ACUIYHUCBGKUCI-UHFFFAOYSA-N 0 0 310.397 3.380 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000618524851 400611590 /nfs/dbraw/zinc/61/15/90/400611590.db2.gz SLGIEIOKJKBBHY-OAHLLOKOSA-N 0 0 317.429 3.338 10 30 DGEERN C=CCOCCCNC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC000618525957 400611639 /nfs/dbraw/zinc/61/16/39/400611639.db2.gz JBWDNDWXQQWMFR-CYBMUJFWSA-N 0 0 323.820 3.258 10 30 DGEERN C=CCOCCCNC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000618526213 400611723 /nfs/dbraw/zinc/61/17/23/400611723.db2.gz MKDPIMLMFDBEQB-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN COCc1cncc(C(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000613170260 400666940 /nfs/dbraw/zinc/66/69/40/400666940.db2.gz CELRPISRTIVTHF-UHFFFAOYSA-N 0 0 301.371 3.030 10 30 DGEERN N#Cc1cnc2c(F)ccc(F)c2c1NCCOCC1CCC1 ZINC000613185127 400669352 /nfs/dbraw/zinc/66/93/52/400669352.db2.gz SQXNLYRGNHDALA-UHFFFAOYSA-N 0 0 317.339 3.035 10 30 DGEERN C=CCN(C(=O)c1cc(C)n(C2CCOCC2)c1C)C1CC1 ZINC000613238717 400680990 /nfs/dbraw/zinc/68/09/90/400680990.db2.gz CWAGGQPQLFAJPJ-UHFFFAOYSA-N 0 0 302.418 3.247 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cc1COCCOC ZINC000603410321 400682793 /nfs/dbraw/zinc/68/27/93/400682793.db2.gz HRBCXBPKTKNFTI-HDICACEKSA-N 0 0 312.413 3.409 10 30 DGEERN C=C(C)CN(C)C(=O)c1c(OC)cccc1OC(F)(F)F ZINC000613305105 400694132 /nfs/dbraw/zinc/69/41/32/400694132.db2.gz OCDJWZRRJGTYCM-UHFFFAOYSA-N 0 0 303.280 3.242 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1csc2ccccc12 ZINC000613322073 400697895 /nfs/dbraw/zinc/69/78/95/400697895.db2.gz CGPRJAYRFNEYEJ-CYBMUJFWSA-N 0 0 302.399 3.311 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000077264383 400703030 /nfs/dbraw/zinc/70/30/30/400703030.db2.gz ZQLICNTYUGHXHQ-UHFFFAOYSA-N 0 0 315.417 3.239 10 30 DGEERN Cc1cccc(CC2CN(c3cc(C#N)ccc3[N+](=O)[O-])C2)c1 ZINC000613429103 400716585 /nfs/dbraw/zinc/71/65/85/400716585.db2.gz GDLOMQXDCSDXBK-UHFFFAOYSA-N 0 0 307.353 3.454 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000619229211 400804342 /nfs/dbraw/zinc/80/43/42/400804342.db2.gz ATZFRZXXFVMZCK-HNFVBEJKSA-N 0 0 301.377 3.299 10 30 DGEERN C=C(Br)CNc1cc(Br)ccc1N ZINC000168187056 400757135 /nfs/dbraw/zinc/75/71/35/400757135.db2.gz INVQMFAWYCBCOD-UHFFFAOYSA-N 0 0 306.001 3.352 10 30 DGEERN COc1cc(Br)cc(NCc2ccnc(C#N)c2)c1 ZINC000169093572 400758324 /nfs/dbraw/zinc/75/83/24/400758324.db2.gz STGPSSOVRKFWSH-UHFFFAOYSA-N 0 0 318.174 3.336 10 30 DGEERN CC(C)Cn1cnnc1[C@H]1CCCN1c1cccc(F)c1C#N ZINC000078022015 400761417 /nfs/dbraw/zinc/76/14/17/400761417.db2.gz WHVGMIYOQYBWJV-MRXNPFEDSA-N 0 0 313.380 3.286 10 30 DGEERN C=CCC1(NC(=O)c2cnn(-c3ccccc3)c2N)CCCC1 ZINC000619110070 400772264 /nfs/dbraw/zinc/77/22/64/400772264.db2.gz DGZDEESIGUWZLH-UHFFFAOYSA-N 0 0 310.401 3.073 10 30 DGEERN C=CCC(C)(C)CNC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593165013 400778241 /nfs/dbraw/zinc/77/82/41/400778241.db2.gz UZBOCKLQLRPQRD-UONOGXRCSA-N 0 0 309.450 3.463 10 30 DGEERN C=CCSCCNC(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000604488314 400780249 /nfs/dbraw/zinc/78/02/49/400780249.db2.gz HIBIHFZYUVSNFH-ZDUSSCGKSA-N 0 0 308.447 3.365 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C/C(C)=C\c1ccccc1 ZINC000613977799 400821769 /nfs/dbraw/zinc/82/17/69/400821769.db2.gz LJBJMHZAXBNEQT-WTQUMQLASA-N 0 0 314.429 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C=CCCCN(C)C(=O)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000606142536 400892147 /nfs/dbraw/zinc/89/21/47/400892147.db2.gz ZCSLYRZGUCAKLI-UHFFFAOYSA-N 0 0 308.809 3.320 10 30 DGEERN CC(C)COCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183496041 400901243 /nfs/dbraw/zinc/90/12/43/400901243.db2.gz QVROTNAOMCEKLG-UHFFFAOYSA-N 0 0 300.402 3.034 10 30 DGEERN N#Cc1ccsc1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619762570 400901998 /nfs/dbraw/zinc/90/19/98/400901998.db2.gz MJOQEXLCYCOJKQ-UHFFFAOYSA-N 0 0 301.758 3.075 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000185251201 400904674 /nfs/dbraw/zinc/90/46/74/400904674.db2.gz GTYSCBWJMRLSJR-MOPGFXCFSA-N 0 0 324.424 3.207 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000614490023 400908517 /nfs/dbraw/zinc/90/85/17/400908517.db2.gz ZKLQXZXAVVPYNV-HNNXBMFYSA-N 0 0 318.417 3.099 10 30 DGEERN C=CCSCCNC(=O)Cc1coc2cc(OC)ccc12 ZINC000194506994 400920924 /nfs/dbraw/zinc/92/09/24/400920924.db2.gz BSEDYMDKPDDUIA-UHFFFAOYSA-N 0 0 305.399 3.019 10 30 DGEERN C=CCSCCNC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000194609755 400921487 /nfs/dbraw/zinc/92/14/87/400921487.db2.gz DYEXSGNASJVVOX-UHFFFAOYSA-N 0 0 318.402 3.086 10 30 DGEERN Cc1cccc(CC2CN(C(=O)c3cccc(F)c3C#N)C2)c1 ZINC000614630307 400923695 /nfs/dbraw/zinc/92/36/95/400923695.db2.gz XTDJJKXPRIXEGW-UHFFFAOYSA-N 0 0 308.356 3.321 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C)OCC ZINC000619918120 400923939 /nfs/dbraw/zinc/92/39/39/400923939.db2.gz BHNHBHRLJYJQHI-WDSOQIARSA-N 0 0 319.445 3.232 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@H](C)n2ccc(C)n2)cc1 ZINC000614677041 400928071 /nfs/dbraw/zinc/92/80/71/400928071.db2.gz DAJIUMVZNKMOKK-HNNXBMFYSA-N 0 0 313.401 3.024 10 30 DGEERN C=CCOc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCCO2)cc1 ZINC000614679470 400929775 /nfs/dbraw/zinc/92/97/75/400929775.db2.gz LTICRIPSLCHCLV-YOEHRIQHSA-N 0 0 303.402 3.073 10 30 DGEERN COc1ccc(OC)c([C@H]2CCCN2c2ncccc2C#N)c1 ZINC000198286131 400929912 /nfs/dbraw/zinc/92/99/12/400929912.db2.gz QPOKEJDZJZIZOA-MRXNPFEDSA-N 0 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C=CCC1(C(=O)NCC(=O)c2cccc(F)c2F)CCCC1 ZINC000633705970 401067539 /nfs/dbraw/zinc/06/75/39/401067539.db2.gz INJIOMNPTTYYFT-UHFFFAOYSA-N 0 0 307.340 3.400 10 30 DGEERN C=CCCn1cc(CSCc2ccccc2C(=O)OC)nn1 ZINC000594453698 401073683 /nfs/dbraw/zinc/07/36/83/401073683.db2.gz QDGIYOZXWKEDDF-UHFFFAOYSA-N 0 0 317.414 3.074 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1ccsc1C(F)(F)F ZINC000633718697 401073890 /nfs/dbraw/zinc/07/38/90/401073890.db2.gz NBDGHUZAYJRHJI-SECBINFHSA-N 0 0 307.337 3.364 10 30 DGEERN C=C(C)Cn1c(CC2CC2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594471472 401076606 /nfs/dbraw/zinc/07/66/06/401076606.db2.gz FNSGJIWLMIJLQC-UHFFFAOYSA-N 0 0 319.412 3.199 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](OC)C2CCCCC2)CCOCC1 ZINC000620381394 401080250 /nfs/dbraw/zinc/08/02/50/401080250.db2.gz HIEZJHBBHVFPAR-MRXNPFEDSA-N 0 0 309.450 3.071 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OCc1ccncc1 ZINC000633605468 401021389 /nfs/dbraw/zinc/02/13/89/401021389.db2.gz RPXMCAMRHSFADQ-USXIJHARSA-N 0 0 302.418 3.238 10 30 DGEERN C=CC[C@@H]1CCCN(C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC000633617395 401027906 /nfs/dbraw/zinc/02/79/06/401027906.db2.gz LECNZZCEPRENLT-CYBMUJFWSA-N 0 0 303.431 3.061 10 30 DGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000246815274 401038174 /nfs/dbraw/zinc/03/81/74/401038174.db2.gz BSMFNSFEUZPTDM-UHEFJODHSA-N 0 0 312.413 3.387 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000633647300 401040053 /nfs/dbraw/zinc/04/00/53/401040053.db2.gz XWQBBAGYEUCXHY-DJSILETISA-N 0 0 301.430 3.482 10 30 DGEERN C=CCCn1cc(CSCCOc2ccc(F)cc2)nn1 ZINC000594552982 401108429 /nfs/dbraw/zinc/10/84/29/401108429.db2.gz PVRZGVRGHXOABN-UHFFFAOYSA-N 0 0 307.394 3.306 10 30 DGEERN C=CC[C@@H]1CCN(S(=O)(=O)Cc2ccc(C(F)F)cc2)C1 ZINC000625355494 401109367 /nfs/dbraw/zinc/10/93/67/401109367.db2.gz RKEOEGWDVDNZKO-GFCCVEGCSA-N 0 0 315.385 3.352 10 30 DGEERN C=CC[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000625355918 401109759 /nfs/dbraw/zinc/10/97/59/401109759.db2.gz 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ZINC000634364617 401273591 /nfs/dbraw/zinc/27/35/91/401273591.db2.gz VWCZUGSJVQJRRU-MOPGFXCFSA-N 0 0 301.430 3.246 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(c2cc(F)c(OC(C)C)c(F)c2)C1=O ZINC000630507031 401280522 /nfs/dbraw/zinc/28/05/22/401280522.db2.gz SQZDWYOKGIFHED-ZDUSSCGKSA-N 0 0 324.327 3.143 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2ccc3nc(C4CC4)oc3c2)C1=O ZINC000630509224 401280581 /nfs/dbraw/zinc/28/05/81/401280581.db2.gz WWKYVOWRSGAQLS-CYBMUJFWSA-N 0 0 311.341 3.096 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2ccc(OC(C)C)cc2F)C1=O ZINC000630514384 401281349 /nfs/dbraw/zinc/28/13/49/401281349.db2.gz XVWCZFUPQDNVTC-CYBMUJFWSA-N 0 0 306.337 3.004 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(c2cccc3c2ccn3C(F)F)C1=O ZINC000630520744 401282160 /nfs/dbraw/zinc/28/21/60/401282160.db2.gz GYCJTEXKLHPQQW-LLVKDONJSA-N 0 0 319.311 3.427 10 30 DGEERN C=C[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000600329640 401238060 /nfs/dbraw/zinc/23/80/60/401238060.db2.gz FJIKDZKXXAEZIU-APPDUMDISA-N 0 0 323.364 3.307 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000630638718 401304863 /nfs/dbraw/zinc/30/48/63/401304863.db2.gz WRTKJVUGKRXRFX-CYBMUJFWSA-N 0 0 315.442 3.355 10 30 DGEERN C=C1CC(C)(C(=O)NCc2csc(Br)c2)C1 ZINC000630735214 401319694 /nfs/dbraw/zinc/31/96/94/401319694.db2.gz QIVRTZOYFJBZRD-UHFFFAOYSA-N 0 0 300.221 3.483 10 30 DGEERN C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000622017765 401336481 /nfs/dbraw/zinc/33/64/81/401336481.db2.gz GOZSXJKWECHDDQ-ZDUSSCGKSA-N 0 0 320.400 3.326 10 30 DGEERN CC#CCCNC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC000626388165 401351294 /nfs/dbraw/zinc/35/12/94/401351294.db2.gz DIJKREYLPAMYRH-UHFFFAOYSA-N 0 0 308.381 3.209 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2cccc(-c3noc(C)n3)c2)C1 ZINC000626327750 401341128 /nfs/dbraw/zinc/34/11/28/401341128.db2.gz FKVJRAXHTZMNNL-ZDUSSCGKSA-N 0 0 312.373 3.475 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000630886866 401347507 /nfs/dbraw/zinc/34/75/07/401347507.db2.gz DTMIDNQPBLJXRZ-UHFFFAOYSA-N 0 0 314.360 3.496 10 30 DGEERN C=CC[C@H](Cc1ccccc1)n1cc(-c2cn(C)nc2C)nn1 ZINC000630591426 401293221 /nfs/dbraw/zinc/29/32/21/401293221.db2.gz BDFOOYMTUJSULF-MRXNPFEDSA-N 0 0 307.401 3.347 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CC)c2ccc(OC)cc2)C1=O ZINC000630966772 401362674 /nfs/dbraw/zinc/36/26/74/401362674.db2.gz YTDLNOWIVBNEOH-GJZGRUSLSA-N 0 0 302.374 3.033 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(Cc2csc3ccccc23)C1=O ZINC000630969676 401363113 /nfs/dbraw/zinc/36/31/13/401363113.db2.gz GUUSIVBABKTSBG-ZDUSSCGKSA-N 0 0 300.383 3.288 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N([C@@H](C)c2ccc(OC(F)F)cc2)C1=O ZINC000630972674 401363226 /nfs/dbraw/zinc/36/32/26/401363226.db2.gz ZOPZOWDDXHYOKO-GXFFZTMASA-N 0 0 324.327 3.236 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(CC[C@@H](C)c2ccc(OC)cc2)C1=O ZINC000630973735 401363405 /nfs/dbraw/zinc/36/34/05/401363405.db2.gz ATRDZVUHZJSMLF-CJNGLKHVSA-N 0 0 316.401 3.075 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2OC2CCC2)C1=O ZINC000630978562 401363614 /nfs/dbraw/zinc/36/36/14/401363614.db2.gz YZYQTWSXKAYMRO-OAHLLOKOSA-N 0 0 314.385 3.005 10 30 DGEERN C=C(C)C[C@H]1NC(=O)N(CC2(Sc3ccccc3)CC2)C1=O ZINC000630976181 401363729 /nfs/dbraw/zinc/36/37/29/401363729.db2.gz ZYPMVUFFHFQWCM-CQSZACIVSA-N 0 0 316.426 3.198 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000630982563 401364517 /nfs/dbraw/zinc/36/45/17/401364517.db2.gz NXPMOMSDMNXHCA-KBMXLJTQSA-N 0 0 316.376 3.348 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)N2C3CCC2(CC3)C1=O ZINC000630986631 401364952 /nfs/dbraw/zinc/36/49/52/401364952.db2.gz OCIIEGNXEQPQAJ-WUJZJPHMSA-N 0 0 310.397 3.133 10 30 DGEERN C=CCCCCNC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000626490463 401365835 /nfs/dbraw/zinc/36/58/35/401365835.db2.gz KHLURNOEZKGBRN-NSHDSACASA-N 0 0 315.339 3.252 10 30 DGEERN C=CCCC(C)(C)CN1C(=O)N[C@H]([C@H]2CCC[C@@H](OC)C2)C1=O ZINC000630989373 401365883 /nfs/dbraw/zinc/36/58/83/401365883.db2.gz DNXAQFXNCLYSNJ-RRFJBIMHSA-N 0 0 322.449 3.104 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000626521668 401369543 /nfs/dbraw/zinc/36/95/43/401369543.db2.gz DTYRXFBLTXJHMT-LLVKDONJSA-N 0 0 317.364 3.140 10 30 DGEERN C=CC[C@H]1CCN(C(=O)Nc2ccnc(C)c2Br)C1 ZINC000626527367 401370336 /nfs/dbraw/zinc/37/03/36/401370336.db2.gz WZGLWZZQHUMBCN-NSHDSACASA-N 0 0 324.222 3.004 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Nc2ccc3nnc(C(C)C)n3c2)C1 ZINC000626527619 401370925 /nfs/dbraw/zinc/37/09/25/401370925.db2.gz HUOBSOMHZUUNDY-CYBMUJFWSA-N 0 0 313.405 3.283 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000626554967 401373851 /nfs/dbraw/zinc/37/38/51/401373851.db2.gz DJISODBSIPLQBJ-WBVHZDCISA-N 0 0 300.402 3.494 10 30 DGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCc2cc(Cl)ccc21 ZINC000622779861 401415314 /nfs/dbraw/zinc/41/53/14/401415314.db2.gz UMULLYDJMNNNLJ-OAHLLOKOSA-N 0 0 320.820 3.090 10 30 DGEERN C=CC[C@H]1N(C(=O)[C@@H]2CCn3cc(C)nc3C2)CCCC1(C)C ZINC000626675312 401394686 /nfs/dbraw/zinc/39/46/86/401394686.db2.gz 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ZINC000623381866 401504510 /nfs/dbraw/zinc/50/45/10/401504510.db2.gz LUHFPKOEKCKJHA-GFCCVEGCSA-N 0 0 310.344 3.396 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000623406866 401509369 /nfs/dbraw/zinc/50/93/69/401509369.db2.gz MKDQDXIYVOORDT-DZGCQCFKSA-N 0 0 315.417 3.314 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2ccccc2COCC)C1 ZINC000623412582 401510953 /nfs/dbraw/zinc/51/09/53/401510953.db2.gz RGSVIVNBMAHZPP-HNNXBMFYSA-N 0 0 302.418 3.331 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000628016436 401512570 /nfs/dbraw/zinc/51/25/70/401512570.db2.gz FZQDUYFEZYNRCA-KRWDZBQOSA-N 0 0 314.429 3.011 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000628038250 401515814 /nfs/dbraw/zinc/51/58/14/401515814.db2.gz YXQHGEUTKSKRMH-AEFFLSMTSA-N 0 0 324.428 3.191 10 30 DGEERN C=CCN(C(=O)C1CCc2ccccc2CC1)[C@H](C)COC ZINC000628054796 401517681 /nfs/dbraw/zinc/51/76/81/401517681.db2.gz FKYUNCKJWCGVSW-OAHLLOKOSA-N 0 0 301.430 3.231 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cccc(OC)c1OC ZINC000623440246 401518135 /nfs/dbraw/zinc/51/81/35/401518135.db2.gz PCICGVIBSGXZKZ-UHFFFAOYSA-N 0 0 306.406 3.105 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000628062571 401518420 /nfs/dbraw/zinc/51/84/20/401518420.db2.gz KMORVBKQFCVDIV-ZFWWWQNUSA-N 0 0 303.377 3.192 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccccc1OCCOC ZINC000623446777 401520747 /nfs/dbraw/zinc/52/07/47/401520747.db2.gz QTBPGRDYPSHFDP-UHFFFAOYSA-N 0 0 320.433 3.113 10 30 DGEERN C=CCC1(NC(=O)C2CCc3ccccc3CC2)CCOCC1 ZINC000628081126 401521881 /nfs/dbraw/zinc/52/18/81/401521881.db2.gz MORPYXHWECAQSA-UHFFFAOYSA-N 0 0 313.441 3.423 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000623470187 401525246 /nfs/dbraw/zinc/52/52/46/401525246.db2.gz CJCHODDHXLVBDW-UHFFFAOYSA-N 0 0 312.417 3.274 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000623472491 401525428 /nfs/dbraw/zinc/52/54/28/401525428.db2.gz QCVHJFRTWBIMDW-SJORKVTESA-N 0 0 313.445 3.121 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000623472478 401525622 /nfs/dbraw/zinc/52/56/22/401525622.db2.gz PZAOCWKPYUZFDL-MRXNPFEDSA-N 0 0 315.461 3.414 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2F)C1 ZINC000623497193 401532724 /nfs/dbraw/zinc/53/27/24/401532724.db2.gz AEPRIIRXSQVADG-OLZOCXBDSA-N 0 0 324.371 3.340 10 30 DGEERN C=C(CC)CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000627685133 401484509 /nfs/dbraw/zinc/48/45/09/401484509.db2.gz KDIRTVIFAILRDI-TZMCWYRMSA-N 0 0 313.319 3.251 10 30 DGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc2ccccc21 ZINC000627688358 401485089 /nfs/dbraw/zinc/48/50/89/401485089.db2.gz AOVCCVGHTKNWOH-UHFFFAOYSA-N 0 0 310.397 3.497 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@H]1CCc2cccnc21 ZINC000623311633 401489164 /nfs/dbraw/zinc/48/91/64/401489164.db2.gz UUFUJUYHHIPBCW-OAHLLOKOSA-N 0 0 308.381 3.106 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCCCn1cnc2ccccc21 ZINC000623344327 401495714 /nfs/dbraw/zinc/49/57/14/401495714.db2.gz HRNZLFHPFKOUQR-UHFFFAOYSA-N 0 0 314.433 3.328 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NC[C@@H](C)Oc2ccccc2F)C1 ZINC000623674132 401566849 /nfs/dbraw/zinc/56/68/49/401566849.db2.gz RFLURLJRTPXYIU-KGLIPLIRSA-N 0 0 306.381 3.201 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2cccnc2)C(C)C)C1 ZINC000623701292 401569921 /nfs/dbraw/zinc/56/99/21/401569921.db2.gz VVTUDYJSPYWNKA-NVXWUHKLSA-N 0 0 301.434 3.429 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cn(C)nc1-c1ccc(C)o1 ZINC000628311425 401574062 /nfs/dbraw/zinc/57/40/62/401574062.db2.gz MMRWEFPRPWWJNY-UHFFFAOYSA-N 0 0 301.390 3.321 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC000628313878 401574676 /nfs/dbraw/zinc/57/46/76/401574676.db2.gz FVPGDACMMOPPNC-UHFFFAOYSA-N 0 0 323.458 3.201 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000628314715 401574685 /nfs/dbraw/zinc/57/46/85/401574685.db2.gz KGPSDNCVGFQJHT-UHFFFAOYSA-N 0 0 300.402 3.248 10 30 DGEERN C=CC(C)(C)CCNC(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000628316947 401575036 /nfs/dbraw/zinc/57/50/36/401575036.db2.gz 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/nfs/dbraw/zinc/59/36/83/401593683.db2.gz YFGMOQLMKLOKQP-MFKMUULPSA-N 0 0 308.328 3.006 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCC2(c3ccccc3OC)CC2)C1 ZINC000623531599 401540869 /nfs/dbraw/zinc/54/08/69/401540869.db2.gz GLAMJIHXAJUGCE-HNNXBMFYSA-N 0 0 314.429 3.334 10 30 DGEERN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000623913308 401598046 /nfs/dbraw/zinc/59/80/46/401598046.db2.gz LHKMZJDNSNHVAP-SWLSCSKDSA-N 0 0 304.365 3.257 10 30 DGEERN C=CC[C@H](CO)CNC(=O)Cc1cc(Cl)cc2ccccc21 ZINC000632295306 401598255 /nfs/dbraw/zinc/59/82/55/401598255.db2.gz HMGVRUYWWBRTET-ZDUSSCGKSA-N 0 0 317.816 3.337 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)C1(C(C)C)CC1 ZINC000631779745 401553330 /nfs/dbraw/zinc/55/33/30/401553330.db2.gz RTFHHUZZEFBHIL-UHFFFAOYSA-N 0 0 323.458 3.202 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000623649165 401561898 /nfs/dbraw/zinc/56/18/98/401561898.db2.gz OBFJKJJAUZEOII-SECBINFHSA-N 0 0 319.352 3.270 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)NC[C@@]2(C)OCCc3sccc32)C1 ZINC000624086816 401624203 /nfs/dbraw/zinc/62/42/03/401624203.db2.gz XJMXABIVAHHZRH-CXAGYDPISA-N 0 0 320.458 3.144 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC000624169777 401634511 /nfs/dbraw/zinc/63/45/11/401634511.db2.gz WZJUBYFTHPEXHH-XOKHGSTOSA-N 0 0 300.402 3.159 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](C)C1CCCCC1 ZINC000624241386 401643303 /nfs/dbraw/zinc/64/33/03/401643303.db2.gz HWRQQHDBMQCHLJ-PVAVHDDUSA-N 0 0 308.466 3.435 10 30 DGEERN C=C1CC(C)(C(=O)NCc2c(F)cccc2N2CCCC2)C1 ZINC000633000923 401644956 /nfs/dbraw/zinc/64/49/56/401644956.db2.gz TWYOGFGVLPYMBL-UHFFFAOYSA-N 0 0 302.393 3.398 10 30 DGEERN C=CC[C@H]1CCN(C(=O)COc2ccc(C(=O)CC)cc2)C1 ZINC000628482434 401605630 /nfs/dbraw/zinc/60/56/30/401605630.db2.gz OIJWNWGBCINICI-AWEZNQCLSA-N 0 0 301.386 3.083 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC[C@@H](CC=C)C2)cc1OC ZINC000628483936 401606189 /nfs/dbraw/zinc/60/61/89/401606189.db2.gz AJKFQCWGJXIMHZ-CQSZACIVSA-N 0 0 301.386 3.298 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000628484241 401606301 /nfs/dbraw/zinc/60/63/01/401606301.db2.gz HXFJXSVCPSOIDM-AWEZNQCLSA-N 0 0 311.385 3.094 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)C1 ZINC000628486211 401606574 /nfs/dbraw/zinc/60/65/74/401606574.db2.gz DEVVMLOVHAFDGS-CABCVRRESA-N 0 0 301.386 3.081 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000628485919 401606820 /nfs/dbraw/zinc/60/68/20/401606820.db2.gz WYUXTVANBVBHCH-INIZCTEOSA-N 0 0 309.413 3.278 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(N(CC)CCC)nc2)C1 ZINC000628486153 401606855 /nfs/dbraw/zinc/60/68/55/401606855.db2.gz BRNKBOQULJCYDZ-OAHLLOKOSA-N 0 0 301.434 3.356 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CSc2nccn2C(C)(C)C)C1 ZINC000628486164 401606889 /nfs/dbraw/zinc/60/68/89/401606889.db2.gz BXOKKUVQMCDYQD-CYBMUJFWSA-N 0 0 307.463 3.155 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000628490539 401607140 /nfs/dbraw/zinc/60/71/40/401607140.db2.gz 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ZINC000623987122 401609368 /nfs/dbraw/zinc/60/93/68/401609368.db2.gz PUOCUZCHXAEFSS-KUFDGEAHSA-N 0 0 306.450 3.355 10 30 DGEERN C=CCCN(C)C(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC000632702970 401620324 /nfs/dbraw/zinc/62/03/24/401620324.db2.gz JXLQSQVRIAOVNR-UHFFFAOYSA-N 0 0 300.324 3.413 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000624315065 401649767 /nfs/dbraw/zinc/64/97/67/401649767.db2.gz VHNUQJBFIGPLDR-JHJVBQTASA-N 0 0 320.355 3.094 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCCc1ccc(CO)cc1 ZINC000633154524 401654511 /nfs/dbraw/zinc/65/45/11/401654511.db2.gz UVDFVCHRQXYRIA-UHFFFAOYSA-N 0 0 304.434 3.013 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000633210911 401661028 /nfs/dbraw/zinc/66/10/28/401661028.db2.gz VFSRMQGGZANFHE-KBMXLJTQSA-N 0 0 324.371 3.117 10 30 DGEERN C=CC(C)(C)CCNC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1 ZINC000624460150 401662372 /nfs/dbraw/zinc/66/23/72/401662372.db2.gz NPNADFSODOBBOU-GOEBONIOSA-N 0 0 304.434 3.053 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000624464697 401662772 /nfs/dbraw/zinc/66/27/72/401662772.db2.gz LEYCVZNUTBBTKP-MRXNPFEDSA-N 0 0 301.434 3.075 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1csc(COC)n1 ZINC000633251395 401666157 /nfs/dbraw/zinc/66/61/57/401666157.db2.gz SESGOEXZEKWKOX-UHFFFAOYSA-N 0 0 311.451 3.081 10 30 DGEERN C=CCC(C)(C)CNC(=O)NCc1cccc2c1CCOC2 ZINC000633261807 401667302 /nfs/dbraw/zinc/66/73/02/401667302.db2.gz CGPSSQYTKVBUHJ-UHFFFAOYSA-N 0 0 302.418 3.161 10 30 DGEERN C=C(CC)CNC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000633287929 401669955 /nfs/dbraw/zinc/66/99/55/401669955.db2.gz ZIUHABVTUFJINO-UHFFFAOYSA-N 0 0 306.381 3.345 10 30 DGEERN C=C(C)CN(CC)C(=O)CNc1cccc(C2CCOCC2)c1 ZINC000629215354 401674688 /nfs/dbraw/zinc/67/46/88/401674688.db2.gz GEDRCZTWRXTHJD-UHFFFAOYSA-N 0 0 316.445 3.417 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2cccc(Br)c2)C1 ZINC000633393521 401681013 /nfs/dbraw/zinc/68/10/13/401681013.db2.gz QNKGHYCJIITUJO-UHFFFAOYSA-N 0 0 308.219 3.464 10 30 DGEERN C=CC(C)(C)C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629388537 401683572 /nfs/dbraw/zinc/68/35/72/401683572.db2.gz DQBKQFPNECIWSN-UHFFFAOYSA-N 0 0 311.429 3.024 10 30 DGEERN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1Br ZINC000175086412 164747636 /nfs/dbraw/zinc/74/76/36/164747636.db2.gz DEDBLBNAIUELDD-SECBINFHSA-N 0 0 318.174 3.140 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178582485 164842941 /nfs/dbraw/zinc/84/29/41/164842941.db2.gz PPPDTSKPURFXRD-CRAIPNDOSA-N 0 0 313.401 3.026 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1c(F)cccc1F ZINC000182739774 164943832 /nfs/dbraw/zinc/94/38/32/164943832.db2.gz LGLFXOWWPXACTL-UHFFFAOYSA-N 0 0 310.307 3.452 10 30 DGEERN Cc1cc(CNc2cnn(-c3ncccc3C#N)c2)ccc1F ZINC000185839030 165017966 /nfs/dbraw/zinc/01/79/66/165017966.db2.gz OGIXQFQHOSYTHN-UHFFFAOYSA-N 0 0 307.332 3.199 10 30 DGEERN C[C@@H](Cc1ccc(F)cc1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186006219 165024256 /nfs/dbraw/zinc/02/42/56/165024256.db2.gz MXCNFVSZLRFARQ-ZDUSSCGKSA-N 0 0 321.359 3.321 10 30 DGEERN Cc1ncc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000186007140 165024436 /nfs/dbraw/zinc/02/44/36/165024436.db2.gz LVHASFVCAHVQCX-SNVBAGLBSA-N 0 0 310.386 3.077 10 30 DGEERN C[C@H](CSC(C)(C)C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186009111 165025722 /nfs/dbraw/zinc/02/57/22/165025722.db2.gz KROAKVIQOHMYKY-GFCCVEGCSA-N 0 0 315.446 3.471 10 30 DGEERN N#Cc1ccc(N2CC[C@H](Nc3ccsc3Cl)C2=O)cc1 ZINC000187328154 165084757 /nfs/dbraw/zinc/08/47/57/165084757.db2.gz PBIJTZSVFDEILJ-ZDUSSCGKSA-N 0 0 317.801 3.491 10 30 DGEERN N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000187420467 165089761 /nfs/dbraw/zinc/08/97/61/165089761.db2.gz HWMAKPOKZJOQDK-FQEVSTJZSA-N 0 0 321.424 3.020 10 30 DGEERN N#Cc1ccc(C2(C(=O)N[C@H]3CCCc4occc43)CC2)cc1 ZINC000187657488 165099188 /nfs/dbraw/zinc/09/91/88/165099188.db2.gz YKYREAZNCKEDLW-INIZCTEOSA-N 0 0 306.365 3.377 10 30 DGEERN Cc1nn(Cc2ccc(C#N)c(F)c2)c(C)c1Br ZINC000188000134 165109324 /nfs/dbraw/zinc/10/93/24/165109324.db2.gz MPXMAORVPHLUDZ-UHFFFAOYSA-N 0 0 308.154 3.322 10 30 DGEERN CCCOc1nc(C)ccc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000188162194 165114626 /nfs/dbraw/zinc/11/46/26/165114626.db2.gz DZFIROUOJAYYED-UHFFFAOYSA-N 0 0 323.396 3.323 10 30 DGEERN CC1(C)CN(C(=O)c2sccc2C#N)CC2(CCCC2)O1 ZINC000189380293 165160084 /nfs/dbraw/zinc/16/00/84/165160084.db2.gz JAHQCLVEWJFMIW-UHFFFAOYSA-N 0 0 304.415 3.184 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc(C#N)c1 ZINC000190456103 165204641 /nfs/dbraw/zinc/20/46/41/165204641.db2.gz UNJSTAXGFJGILN-UHFFFAOYSA-N 0 0 302.337 3.305 10 30 DGEERN CCc1nc(C[S@](=O)Cc2ccc(C#N)c(F)c2)cs1 ZINC000190762821 165214870 /nfs/dbraw/zinc/21/48/70/165214870.db2.gz TZNFGBCFEXVAQN-HXUWFJFHSA-N 0 0 308.403 3.165 10 30 DGEERN Cc1sc2ncn(Cc3ccc(C#N)c(F)c3)c(=O)c2c1C ZINC000191389133 165248667 /nfs/dbraw/zinc/24/86/67/165248667.db2.gz SHOFJLMILKNTJW-UHFFFAOYSA-N 0 0 313.357 3.134 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1F ZINC000192070015 165280915 /nfs/dbraw/zinc/28/09/15/165280915.db2.gz RWQDOPFXUYEJNB-INIZCTEOSA-N 0 0 302.374 3.332 10 30 DGEERN Cc1ncc(-c2ccc(NC(=O)c3ccnc(C#N)c3)cc2)o1 ZINC000192514966 165295092 /nfs/dbraw/zinc/29/50/92/165295092.db2.gz AAQHKXAWCXCCLV-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccnc(C#N)c2)n1 ZINC000192626335 165298456 /nfs/dbraw/zinc/29/84/56/165298456.db2.gz JDSWTAYQFXVMOQ-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN N#Cc1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)ccn1 ZINC000193120274 165318649 /nfs/dbraw/zinc/31/86/49/165318649.db2.gz AQPKIOMZQSQZPE-UHFFFAOYSA-N 0 0 309.344 3.292 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3cccs3)cs2)ccn1 ZINC000193199000 165320491 /nfs/dbraw/zinc/32/04/91/165320491.db2.gz PLZPNLGHCXIIAE-UHFFFAOYSA-N 0 0 312.379 3.391 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)cc1Cl ZINC000193302068 165322843 /nfs/dbraw/zinc/32/28/43/165322843.db2.gz KVIUBDOEVFFAKN-SECBINFHSA-N 0 0 303.724 3.237 10 30 DGEERN N#Cc1cc(C(=O)Nc2cc(F)ccc2Br)ccn1 ZINC000193511866 165326329 /nfs/dbraw/zinc/32/63/29/165326329.db2.gz LTGJYEXSNLECTF-UHFFFAOYSA-N 0 0 320.121 3.107 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)ccn1 ZINC000193441859 165326353 /nfs/dbraw/zinc/32/63/53/165326353.db2.gz WQSGVYFFZSPKFF-UHFFFAOYSA-N 0 0 311.316 3.276 10 30 DGEERN Cc1cc(C)cc(-c2cc(NC(=O)c3ccnc(C#N)c3)n[nH]2)c1 ZINC000195341987 165367276 /nfs/dbraw/zinc/36/72/76/165367276.db2.gz PVACYAYFULEJNO-UHFFFAOYSA-N 0 0 317.352 3.213 10 30 DGEERN Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)cc1F ZINC000129425108 196047384 /nfs/dbraw/zinc/04/73/84/196047384.db2.gz RDKWFRBMLHMRPC-UHFFFAOYSA-N 0 0 317.327 3.184 10 30 DGEERN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCOC1 ZINC000171693237 432161081 /nfs/dbraw/zinc/16/10/81/432161081.db2.gz DJAFJFVLOMZYBW-OAHLLOKOSA-N 0 0 306.365 3.134 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246890600 432177946 /nfs/dbraw/zinc/17/79/46/432177946.db2.gz QYWKBLCBKVEJSV-PBHICJAKSA-N 0 0 313.376 3.306 10 30 DGEERN CCCN(C(=O)c1ccc(C#N)cc1C)[C@H](CC)C(=O)OCC ZINC000190923947 432201573 /nfs/dbraw/zinc/20/15/73/432201573.db2.gz BXOMADUBBLNNBH-MRXNPFEDSA-N 0 0 316.401 3.061 10 30 DGEERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cc1C#N ZINC000131016503 196132482 /nfs/dbraw/zinc/13/24/82/196132482.db2.gz OSQRMEJTKSAMIV-CQSZACIVSA-N 0 0 324.384 3.127 10 30 DGEERN N#Cc1nccn1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000131230766 196152002 /nfs/dbraw/zinc/15/20/02/196152002.db2.gz ARFBJNGWBKHDQS-UHFFFAOYSA-N 0 0 302.309 3.205 10 30 DGEERN Cc1ccc(CN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000182627603 432211979 /nfs/dbraw/zinc/21/19/79/432211979.db2.gz HBEJFOVKFUIVPP-SFHVURJKSA-N 0 0 323.396 3.087 10 30 DGEERN Cc1ccc(CN(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000182627584 432212147 /nfs/dbraw/zinc/21/21/47/432212147.db2.gz HBEJFOVKFUIVPP-GOSISDBHSA-N 0 0 323.396 3.087 10 30 DGEERN N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000269747353 432204096 /nfs/dbraw/zinc/20/40/96/432204096.db2.gz BCRACWBRSDDJGX-QAPCUYQASA-N 0 0 314.335 3.144 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000150940204 432204438 /nfs/dbraw/zinc/20/44/38/432204438.db2.gz PNJXTWNWFSJBPT-UHFFFAOYSA-N 0 0 318.377 3.250 10 30 DGEERN CS[C@@H]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000247254801 432216980 /nfs/dbraw/zinc/21/69/80/432216980.db2.gz XYFBCKBGMISNGA-VHDGCEQUSA-N 0 0 318.442 3.116 10 30 DGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)[C@H](C)CO ZINC000247297468 432220568 /nfs/dbraw/zinc/22/05/68/432220568.db2.gz UXGAILHKGABUJO-UPJWGTAASA-N 0 0 321.446 3.219 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182718519 432222720 /nfs/dbraw/zinc/22/27/20/432222720.db2.gz YHLXGEXMOKWWEB-UONOGXRCSA-N 0 0 303.406 3.241 10 30 DGEERN N#Cc1ccc(NC(=O)CCSC2CCOCC2)cc1Cl ZINC000131644410 196187308 /nfs/dbraw/zinc/18/73/08/196187308.db2.gz KCASJZONTNIXRR-UHFFFAOYSA-N 0 0 324.833 3.452 10 30 DGEERN C[C@@H](Oc1ccc(C#N)cc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000134290948 196376589 /nfs/dbraw/zinc/37/65/89/196376589.db2.gz DTYZYRFMSPILKD-QWHCGFSZSA-N 0 0 312.344 3.342 10 30 DGEERN COC(=O)c1cc(F)ccc1COc1ccc(C#N)cc1F ZINC000134293983 196376825 /nfs/dbraw/zinc/37/68/25/196376825.db2.gz DTBXSUZAHBKEGK-UHFFFAOYSA-N 0 0 303.264 3.202 10 30 DGEERN CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1(C#N)CCC1 ZINC000066321835 226813152 /nfs/dbraw/zinc/81/31/52/226813152.db2.gz JJHJKNWSQUJLMX-UHFFFAOYSA-N 0 0 312.291 3.032 10 30 DGEERN C[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(F)c(Cl)c1 ZINC000068899737 226817879 /nfs/dbraw/zinc/81/78/79/226817879.db2.gz LBTZCBSFKZTEEJ-SNVBAGLBSA-N 0 0 318.801 3.153 10 30 DGEERN N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C1CC1 ZINC000108840201 226913488 /nfs/dbraw/zinc/91/34/88/226913488.db2.gz NEFICIUXOQAKBP-MRXNPFEDSA-N 0 0 312.344 3.437 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115740073 226935165 /nfs/dbraw/zinc/93/51/65/226935165.db2.gz AGQVJUXOMYFRKL-CQSZACIVSA-N 0 0 301.365 3.112 10 30 DGEERN N#CCCn1ccc(NC(=O)CCCc2ccc(F)c(F)c2)n1 ZINC000152112270 227066037 /nfs/dbraw/zinc/06/60/37/227066037.db2.gz ULVRRBRDKXASHD-UHFFFAOYSA-N 0 0 318.327 3.036 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000174716637 228293706 /nfs/dbraw/zinc/29/37/06/228293706.db2.gz FHGDBJHRBOJSNN-OAHLLOKOSA-N 0 0 323.396 3.479 10 30 DGEERN COc1cccc(Cl)c1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000160829145 228248978 /nfs/dbraw/zinc/24/89/78/228248978.db2.gz JIDOKYMALADIGA-OAHLLOKOSA-N 0 0 320.820 3.480 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000162767641 228259294 /nfs/dbraw/zinc/25/92/94/228259294.db2.gz KAKIGUAFPFSPEF-OAHLLOKOSA-N 0 0 322.408 3.449 10 30 DGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)C1CCCCC1 ZINC000171045377 228269952 /nfs/dbraw/zinc/26/99/52/228269952.db2.gz BZDRLVBZYVRJEV-VOTSOKGWSA-N 0 0 306.431 3.142 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(CC#N)cc2)s1 ZINC000175391587 228300724 /nfs/dbraw/zinc/30/07/24/228300724.db2.gz ALPBRJZCBUAANJ-LLVKDONJSA-N 0 0 315.398 3.477 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(Br)ccc1F ZINC000176848496 228320216 /nfs/dbraw/zinc/32/02/16/228320216.db2.gz BBGCJGZXBWBABF-UHFFFAOYSA-N 0 0 322.137 3.051 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000178551366 228342717 /nfs/dbraw/zinc/34/27/17/228342717.db2.gz HIZPJPIORZROSJ-QGZVFWFLSA-N 0 0 303.406 3.175 10 30 DGEERN N#C[C@@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000179236543 228350247 /nfs/dbraw/zinc/35/02/47/228350247.db2.gz KLNLLOPHQMPWBI-SIFUEBAJSA-N 0 0 322.405 3.188 10 30 DGEERN C[C@H](C#N)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000182144910 228366964 /nfs/dbraw/zinc/36/69/64/228366964.db2.gz NLAHBARLDSBXPU-YPMHNXCESA-N 0 0 316.792 3.481 10 30 DGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000182461219 228367766 /nfs/dbraw/zinc/36/77/66/228367766.db2.gz XPHUKXAGKLSZRO-BDJLRTHQSA-N 0 0 306.793 3.177 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000183978557 228379057 /nfs/dbraw/zinc/37/90/57/228379057.db2.gz BGVLLDDDVRMVKO-FQEVSTJZSA-N 0 0 315.376 3.048 10 30 DGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccncc2)cn1 ZINC000328640182 228905426 /nfs/dbraw/zinc/90/54/26/228905426.db2.gz XGSBQCDLCINCLW-UHOFOFEASA-N 0 0 314.389 3.093 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@H]1CCCCNC1=O ZINC000328880348 228918026 /nfs/dbraw/zinc/91/80/26/228918026.db2.gz VTLNNMIOJLLSMP-SMDDNHRTSA-N 0 0 320.437 3.071 10 30 DGEERN CCn1nccc1NC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000329964180 228968625 /nfs/dbraw/zinc/96/86/25/228968625.db2.gz QLTUPRSRORMIOH-CYBMUJFWSA-N 0 0 300.362 3.061 10 30 DGEERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ncoc1[C@H]1CCCO1 ZINC000330117507 228977438 /nfs/dbraw/zinc/97/74/38/228977438.db2.gz XCNHORUTSIXZCM-APIJFGDWSA-N 0 0 310.353 3.169 10 30 DGEERN C[C@H](Cc1ccccc1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000358717079 229364523 /nfs/dbraw/zinc/36/45/23/229364523.db2.gz PZKJVOSBAOBQSQ-MRXNPFEDSA-N 0 0 307.397 3.203 10 30 DGEERN Cc1cc(N2CCC(c3noc(C4CC4)n3)CC2)c(C#N)c(C)n1 ZINC000302164113 230137086 /nfs/dbraw/zinc/13/70/86/230137086.db2.gz INVATXSDRBBKRD-UHFFFAOYSA-N 0 0 323.400 3.215 10 30 DGEERN Cn1cc(CCNc2cnc(C#N)cn2)c2ccc(Cl)cc21 ZINC000302559914 230298507 /nfs/dbraw/zinc/29/85/07/230298507.db2.gz SZZLINMSLABBFH-UHFFFAOYSA-N 0 0 311.776 3.148 10 30 DGEERN N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)nc1 ZINC000107435788 270003476 /nfs/dbraw/zinc/00/34/76/270003476.db2.gz KJYKJBQLRHLBOK-MRXNPFEDSA-N 0 0 311.772 3.488 10 30 DGEERN N#Cc1cc2c(nc1NCc1ccc3cc[nH]c3n1)CCCC2 ZINC000357582948 270003886 /nfs/dbraw/zinc/00/38/86/270003886.db2.gz QCJNCKJIFBJBER-UHFFFAOYSA-N 0 0 303.369 3.320 10 30 DGEERN CCCc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000359831238 266085663 /nfs/dbraw/zinc/08/56/63/266085663.db2.gz KKQXDSDEXFWSMP-UHFFFAOYSA-N 0 0 320.392 3.414 10 30 DGEERN C[C@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H](c2ccccc2)O1 ZINC000362914722 267225372 /nfs/dbraw/zinc/22/53/72/267225372.db2.gz YWNLKNCGYGSTHI-WFASDCNBSA-N 0 0 312.394 3.222 10 30 DGEERN Cc1c(C#N)cccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000179025253 267289594 /nfs/dbraw/zinc/28/95/94/267289594.db2.gz OPLKHXCDVHZNTG-UHFFFAOYSA-N 0 0 323.377 3.216 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000376232893 267313596 /nfs/dbraw/zinc/31/35/96/267313596.db2.gz WXXMNKZVSXUJMH-UHFFFAOYSA-N 0 0 314.339 3.319 10 30 DGEERN CN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(C#N)c1 ZINC000530910207 267314815 /nfs/dbraw/zinc/31/48/15/267314815.db2.gz QPAVBRGJKDJION-UHFFFAOYSA-N 0 0 304.802 3.474 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](c2ccccc2)C2CCOCC2)n1 ZINC000376176021 267318431 /nfs/dbraw/zinc/31/84/31/267318431.db2.gz YTYOQRUIUPPYJB-QGZVFWFLSA-N 0 0 308.385 3.237 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](c2nccs2)c2ccccc2)n1 ZINC000376233094 267318466 /nfs/dbraw/zinc/31/84/66/267318466.db2.gz XRJJCJISUFOHSX-AWEZNQCLSA-N 0 0 307.382 3.315 10 30 DGEERN COCCOc1cc(C)ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000530918881 267468043 /nfs/dbraw/zinc/46/80/43/267468043.db2.gz CUFNVEOYGPZBII-UHFFFAOYSA-N 0 0 324.380 3.073 10 30 DGEERN COc1c(Cl)cccc1NC(=O)Cc1cccc(C#N)c1 ZINC000530908023 267555204 /nfs/dbraw/zinc/55/52/04/267555204.db2.gz DYRBQULUSWIOEL-UHFFFAOYSA-N 0 0 300.745 3.401 10 30 DGEERN N#Cc1cc(NC(=O)c2cnc(-c3ccncc3)s2)ccc1F ZINC000172830364 432238519 /nfs/dbraw/zinc/23/85/19/432238519.db2.gz JWBIWPSNPCGALE-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN COc1ccc(NC(=O)Cc2cccc(C#N)c2)c2cccnc12 ZINC000531148877 267635513 /nfs/dbraw/zinc/63/55/13/267635513.db2.gz JKFODKIEHNPCFF-UHFFFAOYSA-N 0 0 317.348 3.296 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000151348204 432239684 /nfs/dbraw/zinc/23/96/84/432239684.db2.gz QARDKHUHBLTTHK-UHFFFAOYSA-N 0 0 324.205 3.064 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(N2CCOc3cccc(F)c3C2)c1 ZINC000373858185 268217159 /nfs/dbraw/zinc/21/71/59/268217159.db2.gz FNWHOSQUSBJRPL-UHFFFAOYSA-N 0 0 313.288 3.005 10 30 DGEERN N#Cc1ccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c(F)c1 ZINC000525185535 268251767 /nfs/dbraw/zinc/25/17/67/268251767.db2.gz UKQMJGKWZLKHDN-UHFFFAOYSA-N 0 0 322.405 3.042 10 30 DGEERN N#Cc1cccc(CC(=O)NCCCc2c[nH]c3ccccc23)c1 ZINC000530679505 268274237 /nfs/dbraw/zinc/27/42/37/268274237.db2.gz ZWQHFDVNQJOOFK-UHFFFAOYSA-N 0 0 317.392 3.331 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 ZINC000530674105 268277076 /nfs/dbraw/zinc/27/70/76/268277076.db2.gz XPLHFSXHGYEHQK-MRXNPFEDSA-N 0 0 309.756 3.135 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000531147642 268277958 /nfs/dbraw/zinc/27/79/58/268277958.db2.gz VWGPOZLQRJKAFE-UHFFFAOYSA-N 0 0 316.263 3.061 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000413864399 275436295 /nfs/dbraw/zinc/43/62/95/275436295.db2.gz BYVABJLESZIQHY-JKSUJKDBSA-N 0 0 317.408 3.155 10 30 DGEERN C=CCNc1ncc(C(=O)N(C)Cc2ccc(F)cc2C)s1 ZINC000489437934 429242358 /nfs/dbraw/zinc/24/23/58/429242358.db2.gz ZUQFNBUFMJWREK-UHFFFAOYSA-N 0 0 319.405 3.461 10 30 DGEERN N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000511724113 429358801 /nfs/dbraw/zinc/35/88/01/429358801.db2.gz NOHYEJAWINBUCK-PBKGOJFUSA-N 0 0 324.359 3.258 10 30 DGEERN C=C(C)[C@H](CC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C)OCC ZINC000339203142 275740490 /nfs/dbraw/zinc/74/04/90/275740490.db2.gz FVSDRJSFVFLQSI-BPQIPLTHSA-N 0 0 317.429 3.346 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000371666256 276096655 /nfs/dbraw/zinc/09/66/55/276096655.db2.gz SPFCWOJNRQYXES-YLJYHZDGSA-N 0 0 308.425 3.433 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000172062621 276372469 /nfs/dbraw/zinc/37/24/69/276372469.db2.gz XZHHGZMXEYKDFK-XIKOKIGWSA-N 0 0 322.364 3.460 10 30 DGEERN C=C(C)[C@@H](Nc1nc(C)nc(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000475730266 429716505 /nfs/dbraw/zinc/71/65/05/429716505.db2.gz JBPSKGYQQYQLMB-CQSZACIVSA-N 0 0 319.359 3.254 10 30 DGEERN Cn1c2cc(Nc3ccc(Cl)c(C#N)n3)ccc2ccc1=O ZINC000486017748 429748694 /nfs/dbraw/zinc/74/86/94/429748694.db2.gz KVHAUKBVMHXABU-UHFFFAOYSA-N 0 0 310.744 3.202 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171988731 277771570 /nfs/dbraw/zinc/77/15/70/277771570.db2.gz OVYLKXVEDIMMAO-SJLPKXTDSA-N 0 0 314.429 3.021 10 30 DGEERN CC(C)[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451209600 277775489 /nfs/dbraw/zinc/77/54/89/277775489.db2.gz QJPUUPUMLSRWTC-INIZCTEOSA-N 0 0 324.421 3.038 10 30 DGEERN C=C(C)C[C@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)OC ZINC000601227772 430539585 /nfs/dbraw/zinc/53/95/85/430539585.db2.gz SDTUBHNYTAVPFB-LBPRGKRZSA-N 0 0 321.327 3.487 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C#N)c(Br)cn1 ZINC000603364865 430548580 /nfs/dbraw/zinc/54/85/80/430548580.db2.gz AKQNYZBDQHLVIR-YGRLFVJLSA-N 0 0 322.206 3.109 10 30 DGEERN CC(C)c1cc(NC(=O)NCc2ccc(C#N)cc2F)no1 ZINC000610331741 430564097 /nfs/dbraw/zinc/56/40/97/430564097.db2.gz VTSOYXQUFYRCTH-UHFFFAOYSA-N 0 0 302.309 3.130 10 30 DGEERN C=CCNc1ncc(C(=O)NCC(C)(C)CC(F)(F)F)s1 ZINC000622187725 430609389 /nfs/dbraw/zinc/60/93/89/430609389.db2.gz AXPITVOTZPJBCW-UHFFFAOYSA-N 0 0 321.368 3.449 10 30 DGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3nc(N(C)C)oc3c2)CCC1=O ZINC000328978637 277963662 /nfs/dbraw/zinc/96/36/62/277963662.db2.gz XBLLOVNEHZBYJA-MNOVXSKESA-N 0 0 315.373 3.487 10 30 DGEERN CC1(C)CCCC[C@H]1C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000448348284 278208473 /nfs/dbraw/zinc/20/84/73/278208473.db2.gz JDVWFIDNHXXGJT-JTQLQIEISA-N 0 0 304.419 3.015 10 30 DGEERN CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182690803 278259519 /nfs/dbraw/zinc/25/95/19/278259519.db2.gz ZXLWPDKAYVFJAR-MRXNPFEDSA-N 0 0 309.417 3.333 10 30 DGEERN CC1(C)C[C@H]([NH+]=C([O-])N2CCc3cncnc3C2)c2ccccc21 ZINC000330343374 278375279 /nfs/dbraw/zinc/37/52/79/278375279.db2.gz BYAQPTHGFHKMCG-INIZCTEOSA-N 0 0 322.412 3.171 10 30 DGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC#Cc1ccccc1 ZINC000471595232 278533922 /nfs/dbraw/zinc/53/39/22/278533922.db2.gz SJCPBOGSEKBZNO-JSGCOSHPSA-N 0 0 310.319 3.020 10 30 DGEERN CCN(CC)C(=O)CSc1nc2c(cc1C#N)CCCCC2 ZINC000000103602 431124390 /nfs/dbraw/zinc/12/43/90/431124390.db2.gz GQMXLOGHNZRRFK-UHFFFAOYSA-N 0 0 317.458 3.183 10 30 DGEERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(C#N)cn1C ZINC000246418779 279005537 /nfs/dbraw/zinc/00/55/37/279005537.db2.gz FWHNKNVPJFONRE-CPUCHLNUSA-N 0 0 307.397 3.303 10 30 DGEERN CCc1cccc2c(CC(=O)NCc3ccc(C#N)cc3)c[nH]c21 ZINC000109204856 431175382 /nfs/dbraw/zinc/17/53/82/431175382.db2.gz ICRGVEQIQDQFFU-UHFFFAOYSA-N 0 0 317.392 3.461 10 30 DGEERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110174101 431186539 /nfs/dbraw/zinc/18/65/39/431186539.db2.gz PSEXTLDGCIPVKA-HNNXBMFYSA-N 0 0 308.381 3.317 10 30 DGEERN N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)C1CC1 ZINC000108828242 431156604 /nfs/dbraw/zinc/15/66/04/431156604.db2.gz SGJSMMCAGSSIPX-AWEZNQCLSA-N 0 0 313.426 3.427 10 30 DGEERN COc1cc(C(=O)N[C@@H](C#N)C2CC2)ccc1OC1CCCC1 ZINC000108834646 431157701 /nfs/dbraw/zinc/15/77/01/431157701.db2.gz PMHNIFOSGRYDSO-HNNXBMFYSA-N 0 0 314.385 3.049 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000069607164 431202580 /nfs/dbraw/zinc/20/25/80/431202580.db2.gz TUIXIMQRMLPEPF-LBPRGKRZSA-N 0 0 323.352 3.478 10 30 DGEERN N#CC1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000057995062 279479395 /nfs/dbraw/zinc/47/93/95/279479395.db2.gz SLAJNKNVOCWFEE-OAHLLOKOSA-N 0 0 303.793 3.272 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000114511519 431395055 /nfs/dbraw/zinc/39/50/55/431395055.db2.gz KCTZVIPEWPTUCZ-MRXNPFEDSA-N 0 0 323.400 3.278 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000075112798 431454723 /nfs/dbraw/zinc/45/47/23/431454723.db2.gz BRFYYOFXLFSDRI-CQSZACIVSA-N 0 0 306.406 3.070 10 30 DGEERN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC12CCC2 ZINC000435579746 279832812 /nfs/dbraw/zinc/83/28/12/279832812.db2.gz MUILFTSJXUYXII-UHFFFAOYSA-N 0 0 322.330 3.395 10 30 DGEERN N#Cc1cccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000010895351 431468590 /nfs/dbraw/zinc/46/85/90/431468590.db2.gz YFYHHQZNPAHFFC-UHFFFAOYSA-N 0 0 306.300 3.340 10 30 DGEERN CCSCC[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000075380392 431473364 /nfs/dbraw/zinc/47/33/64/431473364.db2.gz OAMVTVJGROLWQS-KGLIPLIRSA-N 0 0 320.458 3.316 10 30 DGEERN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000011715360 431479903 /nfs/dbraw/zinc/47/99/03/431479903.db2.gz RZTWQKHHCRHWCI-UHFFFAOYSA-N 0 0 307.353 3.405 10 30 DGEERN CCC1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000075970469 431512695 /nfs/dbraw/zinc/51/26/95/431512695.db2.gz IREOFNAREYTEBD-UHFFFAOYSA-N 0 0 315.417 3.357 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 ZINC000117453807 431562132 /nfs/dbraw/zinc/56/21/32/431562132.db2.gz MTCYHLQESQWWAT-AWEZNQCLSA-N 0 0 318.417 3.266 10 30 DGEERN C=CC[C@H](C)NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000116851203 431533150 /nfs/dbraw/zinc/53/31/50/431533150.db2.gz OHYFUYKKOREXRU-JTQLQIEISA-N 0 0 311.307 3.136 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076952040 431566029 /nfs/dbraw/zinc/56/60/29/431566029.db2.gz JTIHDRSREGROTG-UHFFFAOYSA-N 0 0 301.434 3.394 10 30 DGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000117598601 431570779 /nfs/dbraw/zinc/57/07/79/431570779.db2.gz NQKKSSZGEVOGGK-SCLBCKFNSA-N 0 0 306.365 3.081 10 30 DGEERN N#Cc1ccc(CNC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000117597960 431570909 /nfs/dbraw/zinc/57/09/09/431570909.db2.gz ZZBQNBCNEDJHRH-MRXNPFEDSA-N 0 0 306.365 3.131 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000117573481 431567796 /nfs/dbraw/zinc/56/77/96/431567796.db2.gz RPPVLHAOOQVQEU-CQSZACIVSA-N 0 0 323.348 3.429 10 30 DGEERN COc1cccc(OC)c1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000013834212 431568564 /nfs/dbraw/zinc/56/85/64/431568564.db2.gz ZJGOSGRZVNPMOZ-VQHVLOKHSA-N 0 0 300.310 3.011 10 30 DGEERN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377011093 280173108 /nfs/dbraw/zinc/17/31/08/280173108.db2.gz XLUMUUAURPXXPN-AABGKKOBSA-N 0 0 309.457 3.169 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000077185632 431573208 /nfs/dbraw/zinc/57/32/08/431573208.db2.gz TWSAWJIMDZLMDN-UHFFFAOYSA-N 0 0 305.378 3.084 10 30 DGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000117776294 431577377 /nfs/dbraw/zinc/57/73/77/431577377.db2.gz LKGSICAXZBCPRB-GUYCJALGSA-N 0 0 310.353 3.087 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000077592281 431609284 /nfs/dbraw/zinc/60/92/84/431609284.db2.gz XIVRECCQNFRLFI-CYBMUJFWSA-N 0 0 306.410 3.252 10 30 DGEERN CCCC(CCC)C(=O)Nc1ccc(CCC(=O)NO)cc1 ZINC000027525974 431689108 /nfs/dbraw/zinc/68/91/08/431689108.db2.gz KGAFAXUXSBOZLS-UHFFFAOYSA-N 0 0 306.406 3.280 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000119490370 431698979 /nfs/dbraw/zinc/69/89/79/431698979.db2.gz MFJUAIANCGNPQM-AWEZNQCLSA-N 0 0 308.381 3.276 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000079811283 431747037 /nfs/dbraw/zinc/74/70/37/431747037.db2.gz KQPBTNFLKRAYFX-QGZVFWFLSA-N 0 0 317.429 3.212 10 30 DGEERN N#C[C@H](NC(=O)CCCc1ccccc1Br)C1CC1 ZINC000121165873 431751802 /nfs/dbraw/zinc/75/18/02/431751802.db2.gz RTTRDXZJPNNYKS-AWEZNQCLSA-N 0 0 321.218 3.190 10 30 DGEERN C#CCCCCC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000119976828 431721303 /nfs/dbraw/zinc/72/13/03/431721303.db2.gz KAUMPDNLCZYGJM-HNNXBMFYSA-N 0 0 315.413 3.213 10 30 DGEERN O[C@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924817 431807783 /nfs/dbraw/zinc/80/77/83/431807783.db2.gz CQZFMAQTGWBIHM-NXEZZACHSA-N 0 0 319.220 3.332 10 30 DGEERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1(C#N)CCCC1 ZINC000121961354 431808307 /nfs/dbraw/zinc/80/83/07/431808307.db2.gz WVAJWVXTUMAYTM-GFCCVEGCSA-N 0 0 306.793 3.368 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000080939099 431778842 /nfs/dbraw/zinc/77/88/42/431778842.db2.gz MBQMQSGHWYLYCI-UHFFFAOYSA-N 0 0 324.409 3.351 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000080974643 431780283 /nfs/dbraw/zinc/78/02/83/431780283.db2.gz GAMUYZIUOUOULE-ZDUSSCGKSA-N 0 0 315.373 3.003 10 30 DGEERN CCCC(=O)Nc1cccc(NC(=O)c2cc(C#N)cn2C)c1C ZINC000081052501 431781104 /nfs/dbraw/zinc/78/11/04/431781104.db2.gz LJMXUXBNNZJLGQ-UHFFFAOYSA-N 0 0 324.384 3.196 10 30 DGEERN COc1ccc(C(=O)NC2(C#N)CCCC2)cc1Br ZINC000040216361 431856833 /nfs/dbraw/zinc/85/68/33/431856833.db2.gz WNVLTOZSWZAACG-UHFFFAOYSA-N 0 0 323.190 3.024 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809570 431833678 /nfs/dbraw/zinc/83/36/78/431833678.db2.gz IWBFKJYGPFVCOF-QWHCGFSZSA-N 0 0 307.346 3.489 10 30 DGEERN Cc1ccc(/C=C/CC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000084770408 431833807 /nfs/dbraw/zinc/83/38/07/431833807.db2.gz WHKFANAUMJLVDQ-NSCUHMNNSA-N 0 0 320.392 3.465 10 30 DGEERN COc1ccc(COc2ccc([N+](=O)[O-])cc2F)cc1C#N ZINC000125035986 431911792 /nfs/dbraw/zinc/91/17/92/431911792.db2.gz FMDCRPYADACOLY-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN COCCN(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000047549229 431912038 /nfs/dbraw/zinc/91/20/38/431912038.db2.gz AKKSDTXXXVHXPL-UHFFFAOYSA-N 0 0 305.381 3.079 10 30 DGEERN C=CCN(CC1CCCCC1)C(=O)Nc1cc(COC)ncn1 ZINC000093314287 431914338 /nfs/dbraw/zinc/91/43/38/431914338.db2.gz BOVMLZSAEPOTBU-UHFFFAOYSA-N 0 0 318.421 3.223 10 30 DGEERN Cn1cccc1[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093845394 431918395 /nfs/dbraw/zinc/91/83/95/431918395.db2.gz LWBNGMBQGURELR-SFHVURJKSA-N 0 0 319.412 3.272 10 30 DGEERN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093867464 431919078 /nfs/dbraw/zinc/91/90/78/431919078.db2.gz RZETZFFNIBOVJR-KUHUBIRLSA-N 0 0 302.381 3.399 10 30 DGEERN C=CCn1c(SCC(=O)[C@@H](C)CC)nnc1-c1ccccn1 ZINC000089692120 431874578 /nfs/dbraw/zinc/87/45/78/431874578.db2.gz YJIKKGDESLZGEO-LBPRGKRZSA-N 0 0 316.430 3.233 10 30 DGEERN COc1ccc(C[C@@H](C)CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000089767113 431877789 /nfs/dbraw/zinc/87/77/89/431877789.db2.gz YAPAGOQFTTWSCG-CQSZACIVSA-N 0 0 322.408 3.484 10 30 DGEERN O=C1CCCC2=C1[C@H](c1ccccc1)N=C(c1ccccn1)N2 ZINC000045348916 431884858 /nfs/dbraw/zinc/88/48/58/431884858.db2.gz BFINRYPCFQFXOH-SFHVURJKSA-N 0 0 303.365 3.180 10 30 DGEERN C=CCNC(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000124732503 431902579 /nfs/dbraw/zinc/90/25/79/431902579.db2.gz SMAXNKUMHBSHIS-GOSISDBHSA-N 0 0 310.397 3.430 10 30 DGEERN OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949845 431975426 /nfs/dbraw/zinc/97/54/26/431975426.db2.gz NPOAVCPGPRUNOX-UHFFFAOYSA-N 0 0 314.094 3.472 10 30 DGEERN N#Cc1ccc2ncc(CN3CCCC[C@@H]3c3nccs3)n2c1 ZINC000127659782 431977344 /nfs/dbraw/zinc/97/73/44/431977344.db2.gz LCYWAFGYKPYFCC-OAHLLOKOSA-N 0 0 323.425 3.390 10 30 DGEERN C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055244413 431978016 /nfs/dbraw/zinc/97/80/16/431978016.db2.gz UVRLHBGKNHOBNA-JTQLQIEISA-N 0 0 324.833 3.163 10 30 DGEERN C=CCCOCCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000125781652 431936271 /nfs/dbraw/zinc/93/62/71/431936271.db2.gz RFXFJHDVBSUFGR-HNNXBMFYSA-N 0 0 318.417 3.181 10 30 DGEERN CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000049078317 431936470 /nfs/dbraw/zinc/93/64/70/431936470.db2.gz AGOWAGZZIZZULM-CQSZACIVSA-N 0 0 312.822 3.021 10 30 DGEERN COc1ccc(O[C@H](C)CNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000126026965 431941128 /nfs/dbraw/zinc/94/11/28/431941128.db2.gz NZXDDUNWZXMIDK-CQSZACIVSA-N 0 0 324.380 3.073 10 30 DGEERN COc1ccc(C(=O)NOC(=O)C=Cc2cccs2)cc1 ZINC000096439007 431949251 /nfs/dbraw/zinc/94/92/51/431949251.db2.gz YNOQJWIFEPSDHJ-HJWRWDBZSA-N 0 0 303.339 3.233 10 30 DGEERN Cc1cc([O-])c(C(=O)/C=C\c2ccc(OC(F)F)cc2)c(=O)o1 ZINC000096854153 431956167 /nfs/dbraw/zinc/95/61/67/431956167.db2.gz OMXVKZQCZWNKOW-DAXSKMNVSA-N 0 0 322.263 3.151 10 30 DGEERN C=CCCOCCNC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000127073556 431964022 /nfs/dbraw/zinc/96/40/22/431964022.db2.gz QZGGZCVMCRKCNF-QGZVFWFLSA-N 0 0 320.408 3.135 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097477832 431969834 /nfs/dbraw/zinc/96/98/34/431969834.db2.gz IUUKLCJNDNUUDA-KGLIPLIRSA-N 0 0 321.852 3.341 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)c1cnn2c1CCCC2 ZINC000128203369 431989615 /nfs/dbraw/zinc/98/96/15/431989615.db2.gz YASGHVPVVHGEFK-UHFFFAOYSA-N 0 0 323.400 3.165 10 30 DGEERN COc1cc(C#N)ccc1OCC(=O)NC1CCC(C)(C)CC1 ZINC000128249530 431990818 /nfs/dbraw/zinc/99/08/18/431990818.db2.gz UFAHRWKRFASOMJ-UHFFFAOYSA-N 0 0 316.401 3.031 10 30 DGEERN C=CCCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248573364 432303194 /nfs/dbraw/zinc/30/31/94/432303194.db2.gz GQYZSGSCPICNNV-ZNMIVQPWSA-N 0 0 322.449 3.104 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000151860639 432283704 /nfs/dbraw/zinc/28/37/04/432283704.db2.gz QPIFWLAFDNSGCA-JJRVBVJISA-N 0 0 321.392 3.095 10 30 DGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2sccc2C#N)no1 ZINC000173592622 432289557 /nfs/dbraw/zinc/28/95/57/432289557.db2.gz CFZAJKKHCCLFRQ-NSHDSACASA-N 0 0 316.386 3.103 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000248463747 432294567 /nfs/dbraw/zinc/29/45/67/432294567.db2.gz AVDJVOWZKGUNSU-UVBJJODRSA-N 0 0 324.371 3.449 10 30 DGEERN N#CC1(NC(=O)c2cnc(Cc3ccccc3)s2)CCCC1 ZINC000152040058 432299213 /nfs/dbraw/zinc/29/92/13/432299213.db2.gz FWWAURNNTJBUSU-UHFFFAOYSA-N 0 0 311.410 3.300 10 30 DGEERN Cc1cc([C@H]2CN(C(=O)c3ccc(C#N)cc3)CCO2)ccc1F ZINC000128769003 432000354 /nfs/dbraw/zinc/00/03/54/432000354.db2.gz CCHQHJSJFKKZIH-GOSISDBHSA-N 0 0 324.355 3.220 10 30 DGEERN N#CC1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000060978253 432000381 /nfs/dbraw/zinc/00/03/81/432000381.db2.gz CYDYUVCPXKMSSB-RYUDHWBXSA-N 0 0 303.328 3.053 10 30 DGEERN CCCOc1ccc(C(=O)NC2(C#N)CCCC2)cc1OCC ZINC000060852637 432000518 /nfs/dbraw/zinc/00/05/18/432000518.db2.gz AXHKTBYHYVJDMK-UHFFFAOYSA-N 0 0 316.401 3.440 10 30 DGEERN CC(C)c1cc(C(=O)N[C@@H](C#N)C2CC2)nn1-c1ccccc1 ZINC000151609010 432261062 /nfs/dbraw/zinc/26/10/62/432261062.db2.gz POVSOOCXMKAFNC-INIZCTEOSA-N 0 0 308.385 3.028 10 30 DGEERN C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000191435139 432265054 /nfs/dbraw/zinc/26/50/54/432265054.db2.gz GLJJDEAPBSGFNL-CYBMUJFWSA-N 0 0 300.427 3.209 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCOCCOC ZINC000191441413 432265981 /nfs/dbraw/zinc/26/59/81/432265981.db2.gz LMUDFQHTADRWER-UHFFFAOYSA-N 0 0 320.433 3.323 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(C)nc2onc(C)c21 ZINC000248057964 432266121 /nfs/dbraw/zinc/26/61/21/432266121.db2.gz YZXLRTWXXTVBNL-UHFFFAOYSA-N 0 0 313.279 3.030 10 30 DGEERN N#CCSCC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191943898 432316139 /nfs/dbraw/zinc/31/61/39/432316139.db2.gz XCUROKRGASTWNI-UHFFFAOYSA-N 0 0 316.348 3.224 10 30 DGEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000248763598 432317350 /nfs/dbraw/zinc/31/73/50/432317350.db2.gz MXVNDKLQZSJNPN-UHOFOFEASA-N 0 0 319.364 3.166 10 30 DGEERN C(#Cc1ccccc1)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000191979153 432320579 /nfs/dbraw/zinc/32/05/79/432320579.db2.gz HOAUKGQQEMGDRC-SFHVURJKSA-N 0 0 320.440 3.193 10 30 DGEERN N#Cc1ccc(OCCNC(=O)CCCc2cccs2)cc1 ZINC000173897514 432306794 /nfs/dbraw/zinc/30/67/94/432306794.db2.gz JVOZXQTYHRUBMR-UHFFFAOYSA-N 0 0 314.410 3.138 10 30 DGEERN Cc1cc(C)cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183659890 432315228 /nfs/dbraw/zinc/31/52/28/432315228.db2.gz YRVMXHFWDWZNBB-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN Cc1nnc(-c2ccccc2)c(=O)n1N=Cc1ccccc1Cl ZINC000254757230 432405184 /nfs/dbraw/zinc/40/51/84/432405184.db2.gz GAKJCFQZQDOSMD-UHFFFAOYSA-N 0 0 324.771 3.149 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2cc(Cl)cs2)cn1 ZINC000193210700 432458273 /nfs/dbraw/zinc/45/82/73/432458273.db2.gz HHNDVVOMPGHOCS-UHFFFAOYSA-N 0 0 315.789 3.466 10 30 DGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@H]3CC[C@]21C ZINC000256453539 432416756 /nfs/dbraw/zinc/41/67/56/432416756.db2.gz QHTAUDUBRNENFJ-LDAIKLSLSA-N 0 0 310.393 3.253 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193596292 432483140 /nfs/dbraw/zinc/48/31/40/432483140.db2.gz PLYKDRAJYJTODO-DOTOQJQBSA-N 0 0 301.386 3.035 10 30 DGEERN CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000175978187 432483835 /nfs/dbraw/zinc/48/38/35/432483835.db2.gz KRYHXEZNQZLVKI-CQSZACIVSA-N 0 0 303.406 3.013 10 30 DGEERN CCC1(CC)CN(CC#Cc2ccc(Cl)cc2)CC[S@@]1=O ZINC000185275438 432485456 /nfs/dbraw/zinc/48/54/56/432485456.db2.gz QQVKUIHJRDWSQQ-NRFANRHFSA-N 0 0 323.889 3.315 10 30 DGEERN N#Cc1cnc(NCc2ccc(Oc3ccccc3)nc2)cn1 ZINC000185305164 432489835 /nfs/dbraw/zinc/48/98/35/432489835.db2.gz XJZRGNDZXLSWAG-UHFFFAOYSA-N 0 0 303.325 3.148 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154339516 432492939 /nfs/dbraw/zinc/49/29/39/432492939.db2.gz BHBRPBNDOZWRQM-CVEARBPZSA-N 0 0 303.402 3.463 10 30 DGEERN N#Cc1cccc(C[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000262699677 432498182 /nfs/dbraw/zinc/49/81/82/432498182.db2.gz JPGJWIXZEVVJMM-GOSISDBHSA-N 0 0 308.381 3.124 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)nn1CC ZINC000154544170 432506762 /nfs/dbraw/zinc/50/67/62/432506762.db2.gz FXSMVUQYXMGRCW-UHFFFAOYSA-N 0 0 313.401 3.048 10 30 DGEERN CC[C@H](NC(=O)c1ccnc(C#N)c1)C(C)(C)c1ccccc1 ZINC000193336995 432466984 /nfs/dbraw/zinc/46/69/84/432466984.db2.gz GPELXYZEUFENOH-KRWDZBQOSA-N 0 0 307.397 3.439 10 30 DGEERN C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)c2cc(Cl)ccc2O1 ZINC000193387858 432470288 /nfs/dbraw/zinc/47/02/88/432470288.db2.gz SORNZFAGLYDHET-SNVBAGLBSA-N 0 0 313.744 3.034 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1c[nH]c(=O)cc1C)c1ccc(F)c(F)c1 ZINC000186074804 432556618 /nfs/dbraw/zinc/55/66/18/432556618.db2.gz GIQXPQJMPYCCKD-MRXNPFEDSA-N 0 0 318.323 3.009 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1 ZINC000155522949 432559478 /nfs/dbraw/zinc/55/94/78/432559478.db2.gz ZIUUTCTXDQSNFR-UHFFFAOYSA-N 0 0 320.352 3.289 10 30 DGEERN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cn1C ZINC000176507708 432529456 /nfs/dbraw/zinc/52/94/56/432529456.db2.gz VOLUKYNPTFBEDG-UHFFFAOYSA-N 0 0 322.195 3.476 10 30 DGEERN CCOc1cc(Cl)ccc1NC(=O)c1cc(C#N)cn1C ZINC000155051526 432535364 /nfs/dbraw/zinc/53/53/64/432535364.db2.gz AUSDOUKWWWMOFJ-UHFFFAOYSA-N 0 0 303.749 3.201 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000185902395 432544131 /nfs/dbraw/zinc/54/41/31/432544131.db2.gz VQUWQRKSUYGDCH-LLVKDONJSA-N 0 0 305.761 3.267 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC000185937375 432547318 /nfs/dbraw/zinc/54/73/18/432547318.db2.gz YCGLETFNXMPVGF-LBPRGKRZSA-N 0 0 307.463 3.011 10 30 DGEERN C=CC[C@H](C(=O)N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000186580680 432610285 /nfs/dbraw/zinc/61/02/85/432610285.db2.gz DYFRRWQXXOSFOK-HOCLYGCPSA-N 0 0 324.428 3.152 10 30 DGEERN CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000186608649 432613272 /nfs/dbraw/zinc/61/32/72/432613272.db2.gz OZSHFETXYBMRGB-YGRLFVJLSA-N 0 0 312.822 3.021 10 30 DGEERN C=CCn1c2ccccc2nc1SCc1nnc(C)n1CC ZINC000194652253 432565945 /nfs/dbraw/zinc/56/59/45/432565945.db2.gz PLMVJSYGUFFGPW-UHFFFAOYSA-N 0 0 313.430 3.434 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000186187037 432566299 /nfs/dbraw/zinc/56/62/99/432566299.db2.gz OLKJOEIJIBSVQC-RDJZCZTQSA-N 0 0 304.434 3.318 10 30 DGEERN Cc1nc(-c2cccc(NC(=O)c3cc(C#N)cs3)c2)no1 ZINC000176988144 432572322 /nfs/dbraw/zinc/57/23/22/432572322.db2.gz PTROGOPBUVYCFZ-UHFFFAOYSA-N 0 0 310.338 3.231 10 30 DGEERN Cc1cc(C#N)ccc1CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000186292693 432579595 /nfs/dbraw/zinc/57/95/95/432579595.db2.gz SHHRLBSVRSWGCX-IBGZPJMESA-N 0 0 319.408 3.104 10 30 DGEERN N#Cc1ccc2ncc(CNc3ccc(-n4cccn4)cc3)n2c1 ZINC000155925366 432581655 /nfs/dbraw/zinc/58/16/55/432581655.db2.gz BVUOUUJFZMICIP-UHFFFAOYSA-N 0 0 314.352 3.004 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1cncc(Br)c1 ZINC000155985484 432583294 /nfs/dbraw/zinc/58/32/94/432583294.db2.gz CPIZLRUQQRMGBO-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN CCN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnn(C)c1 ZINC000177094272 432584722 /nfs/dbraw/zinc/58/47/22/432584722.db2.gz ZOMKYZHKFGUFQE-UHFFFAOYSA-N 0 0 321.346 3.313 10 30 DGEERN N#Cc1ccc(OCCNC(=O)[C@H](c2ccccc2)C2CC2)cc1 ZINC000156181747 432591604 /nfs/dbraw/zinc/59/16/04/432591604.db2.gz OYBUIHOQRDBFMW-LJQANCHMSA-N 0 0 320.392 3.247 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273388619 432593365 /nfs/dbraw/zinc/59/33/65/432593365.db2.gz JOWJAXQJKGSVGX-UHFFFAOYSA-N 0 0 321.230 3.316 10 30 DGEERN C=CC[C@H](C)[C@H](C)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000186655568 432619957 /nfs/dbraw/zinc/61/99/57/432619957.db2.gz CGRVBJPIMGOPNA-STQMWFEESA-N 0 0 308.447 3.021 10 30 DGEERN CC(=O)c1c(C)cccc1NC(=O)COc1ccccc1C#N ZINC000158010022 432634889 /nfs/dbraw/zinc/63/48/89/432634889.db2.gz KBMWGKWANYWQOH-UHFFFAOYSA-N 0 0 308.337 3.087 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000274274458 432645780 /nfs/dbraw/zinc/64/57/80/432645780.db2.gz CEJVNUSSVHCQCR-GFCCVEGCSA-N 0 0 304.365 3.493 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(F)c1C#N ZINC000187849454 288387885 /nfs/dbraw/zinc/38/78/85/288387885.db2.gz YCIDRQBYXYVIOO-FZKQIMNGSA-N 0 0 324.355 3.300 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCCOc1cccc(C(F)(F)F)n1 ZINC000274345261 432654501 /nfs/dbraw/zinc/65/45/01/432654501.db2.gz NMTLYNZPSKAGSH-NSHDSACASA-N 0 0 316.323 3.198 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000265344206 432692432 /nfs/dbraw/zinc/69/24/32/432692432.db2.gz ZGBJMAWEUBUPGV-LBPRGKRZSA-N 0 0 308.451 3.215 10 30 DGEERN C=C(Cl)CNC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000265476940 432703097 /nfs/dbraw/zinc/70/30/97/432703097.db2.gz NRZZLWWOYSEMHL-UHFFFAOYSA-N 0 0 314.842 3.003 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000265484893 432705078 /nfs/dbraw/zinc/70/50/78/432705078.db2.gz GHRFTQNDLIGPLP-UHFFFAOYSA-N 0 0 300.406 3.359 10 30 DGEERN CCN(Cc1ccccn1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188257838 432714639 /nfs/dbraw/zinc/71/46/39/432714639.db2.gz HCVLBRFAEMEWCW-UHFFFAOYSA-N 0 0 305.381 3.034 10 30 DGEERN C=CCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000265652164 432720305 /nfs/dbraw/zinc/72/03/05/432720305.db2.gz VJSAWMGORSNCNG-UHFFFAOYSA-N 0 0 317.389 3.233 10 30 DGEERN C=CCC1(C(=O)N2CCC(c3cnn(CC)c3)CC2)CCC1 ZINC000187861614 432690391 /nfs/dbraw/zinc/69/03/91/432690391.db2.gz MCQYTSSCCPFWBS-UHFFFAOYSA-N 0 0 301.434 3.355 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000188430915 432725871 /nfs/dbraw/zinc/72/58/71/432725871.db2.gz RFTWAGUNMYDBAV-HNNXBMFYSA-N 0 0 314.429 3.127 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC(OCC(C)C)CC1 ZINC000178602474 432756769 /nfs/dbraw/zinc/75/67/69/432756769.db2.gz AKSJRPYPHHAWCT-UHFFFAOYSA-N 0 0 300.402 3.144 10 30 DGEERN COC(=O)CCCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000189009772 432758198 /nfs/dbraw/zinc/75/81/98/432758198.db2.gz DSGTVTKWNJZHJR-UHFFFAOYSA-N 0 0 322.449 3.335 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CCC1 ZINC000189394566 432782399 /nfs/dbraw/zinc/78/23/99/432782399.db2.gz YOVQEQNYTGILGZ-AWEZNQCLSA-N 0 0 310.401 3.191 10 30 DGEERN COc1ccc(O)cc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000189047909 432759897 /nfs/dbraw/zinc/75/98/97/432759897.db2.gz CSIPDJTWGITAFF-UHFFFAOYSA-N 0 0 324.380 3.323 10 30 DGEERN Cc1nc(CC(C)C)oc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000189095049 432763768 /nfs/dbraw/zinc/76/37/68/432763768.db2.gz XVQZQJRTTXVVCI-YVEFUNNKSA-N 0 0 303.406 3.384 10 30 DGEERN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193379793 288579826 /nfs/dbraw/zinc/57/98/26/288579826.db2.gz IBUHSDPYGVMCGG-PXAZEXFGSA-N 0 0 309.344 3.316 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)NCCCc1ccccn1 ZINC000178423027 432733221 /nfs/dbraw/zinc/73/32/21/432733221.db2.gz MQHSEFIVUZXCAC-UHFFFAOYSA-N 0 0 323.440 3.455 10 30 DGEERN N#Cc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000275693952 432740626 /nfs/dbraw/zinc/74/06/26/432740626.db2.gz XDXLRMMVMVFTMI-GOSISDBHSA-N 0 0 306.413 3.497 10 30 DGEERN Cc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000235460125 432743519 /nfs/dbraw/zinc/74/35/19/432743519.db2.gz FUASQKHPAUKIIC-SECBINFHSA-N 0 0 302.359 3.275 10 30 DGEERN N#Cc1ccccc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178906530 432788278 /nfs/dbraw/zinc/78/82/78/432788278.db2.gz MXNSJQRYPURSHY-CRAIPNDOSA-N 0 0 314.335 3.144 10 30 DGEERN N#C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)C1CC1 ZINC000161685818 432791917 /nfs/dbraw/zinc/79/19/17/432791917.db2.gz SEYSTTITPRTSJL-HNNXBMFYSA-N 0 0 304.340 3.195 10 30 DGEERN C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)o2)CCCN1C(=O)OC(C)(C)C ZINC000189523931 432795872 /nfs/dbraw/zinc/79/58/72/432795872.db2.gz FOEHPHWSUMBWGG-WFASDCNBSA-N 0 0 319.405 3.029 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000189713159 432812738 /nfs/dbraw/zinc/81/27/38/432812738.db2.gz BECJMRSASSIMCB-AWEZNQCLSA-N 0 0 315.335 3.033 10 30 DGEERN C[C@@H]1CC[C@H](C)N(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000162178340 432813987 /nfs/dbraw/zinc/81/39/87/432813987.db2.gz RMFQHRGACIPCJF-KGLIPLIRSA-N 0 0 300.402 3.363 10 30 DGEERN C=CC[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000189726101 432814454 /nfs/dbraw/zinc/81/44/54/432814454.db2.gz JCYKWTRBXHOIGZ-QGZVFWFLSA-N 0 0 309.413 3.476 10 30 DGEERN C#CCC(CC#C)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000277597942 432862860 /nfs/dbraw/zinc/86/28/60/432862860.db2.gz AQNDDLFZRNDYOP-UHFFFAOYSA-N 0 0 322.433 3.132 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000288089249 432885864 /nfs/dbraw/zinc/88/58/64/432885864.db2.gz RAMDZNPITIDSAR-SUMWQHHRSA-N 0 0 317.816 3.195 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000278341407 432891647 /nfs/dbraw/zinc/89/16/47/432891647.db2.gz YCMXWOGSLBDUPH-IAGOWNOFSA-N 0 0 314.385 3.289 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000330091767 432892619 /nfs/dbraw/zinc/89/26/19/432892619.db2.gz YCJMVHUTGWENKS-DEQQHWRFSA-N 0 0 317.433 3.423 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277406305 432846986 /nfs/dbraw/zinc/84/69/86/432846986.db2.gz ZTTOGBLBJXPASS-CZUORRHYSA-N 0 0 313.401 3.380 10 30 DGEERN CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245711845 432858380 /nfs/dbraw/zinc/85/83/80/432858380.db2.gz FOFCAIFPQICGPK-CZUORRHYSA-N 0 0 307.388 3.281 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2cnccc2c1 ZINC000296817439 432928133 /nfs/dbraw/zinc/92/81/33/432928133.db2.gz GSEIBTVBZZIUOC-DOTOQJQBSA-N 0 0 311.385 3.338 10 30 DGEERN CCc1cc(NC(=O)c2cc(C#N)cn2C)c2ccccc2n1 ZINC000154724664 292688753 /nfs/dbraw/zinc/68/87/53/292688753.db2.gz CTJVQMUXTLLCCJ-UHFFFAOYSA-N 0 0 304.353 3.260 10 30 DGEERN C=CCN(C(=O)N[C@@H](c1nccs1)C(F)(F)F)C1CC1 ZINC000297028457 432950390 /nfs/dbraw/zinc/95/03/90/432950390.db2.gz QXWBHHXKDBKYNP-VIFPVBQESA-N 0 0 305.325 3.107 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000278654501 432898116 /nfs/dbraw/zinc/89/81/16/432898116.db2.gz DXJMPZFQITUCPG-HLLBOEOZSA-N 0 0 319.376 3.137 10 30 DGEERN C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273263 432901977 /nfs/dbraw/zinc/90/19/77/432901977.db2.gz YXOKGTWRWOZXRM-COLVAYQJSA-N 0 0 308.809 3.474 10 30 DGEERN CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000330281009 432902486 /nfs/dbraw/zinc/90/24/86/432902486.db2.gz TZUCNPYZYVWTGX-ZFWWWQNUSA-N 0 0 314.389 3.275 10 30 DGEERN CC[C@@H]1OCCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000330296183 432903071 /nfs/dbraw/zinc/90/30/71/432903071.db2.gz GCUXMCQTIFLQLG-CVEARBPZSA-N 0 0 317.433 3.212 10 30 DGEERN C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@H]3C(C)C)n2)c1 ZINC000288999804 432911185 /nfs/dbraw/zinc/91/11/85/432911185.db2.gz SUTSXNNBXRSPFV-LSDHHAIUSA-N 0 0 311.385 3.412 10 30 DGEERN CC(=O)C[C@H](C)NC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000330529015 432915608 /nfs/dbraw/zinc/91/56/08/432915608.db2.gz MFDAHPWYAHITPK-JOYOIKCWSA-N 0 0 310.419 3.018 10 30 DGEERN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000330535318 432915663 /nfs/dbraw/zinc/91/56/63/432915663.db2.gz JFXFEBHXPONZFY-DGCLKSJQSA-N 0 0 305.378 3.187 10 30 DGEERN C#CCCCC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000289801614 432974821 /nfs/dbraw/zinc/97/48/21/432974821.db2.gz RPKSFMGEFFWCSB-AWEZNQCLSA-N 0 0 301.390 3.194 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000297649614 433002342 /nfs/dbraw/zinc/00/23/42/433002342.db2.gz DYPJZAAWZXIPBD-GJZGRUSLSA-N 0 0 318.417 3.004 10 30 DGEERN C=CCC(C)(C)C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000297436566 432996016 /nfs/dbraw/zinc/99/60/16/432996016.db2.gz BBWSLDVOWJQVDV-CSKARUKUSA-N 0 0 318.369 3.389 10 30 DGEERN C#CC[C@H](Nc1nc(C(=O)OCC)cs1)c1ccccc1 ZINC000297623429 433000728 /nfs/dbraw/zinc/00/07/28/433000728.db2.gz WOCHKUBTURSXDM-ZDUSSCGKSA-N 0 0 300.383 3.496 10 30 DGEERN C#CCOc1ccccc1CNC(=O)CC(C)(C)C(F)(F)F ZINC000280041798 433001228 /nfs/dbraw/zinc/00/12/28/433001228.db2.gz AVXBYBGODLFCRC-UHFFFAOYSA-N 0 0 313.319 3.293 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)c1cnn2c1CCCC2 ZINC000279280473 432953058 /nfs/dbraw/zinc/95/30/58/432953058.db2.gz AIQNFLHMFLAOKW-UHFFFAOYSA-N 0 0 309.413 3.438 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCCCC(C)(F)F ZINC000297764927 433014905 /nfs/dbraw/zinc/01/49/05/433014905.db2.gz VXNLZWPDFGXFPY-UHFFFAOYSA-N 0 0 300.349 3.455 10 30 DGEERN C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000290382447 433041321 /nfs/dbraw/zinc/04/13/21/433041321.db2.gz MWHBVMNKNMCGEM-HIFRSBDPSA-N 0 0 314.437 3.053 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(F)(F)c1ccccc1F ZINC000280514055 433067706 /nfs/dbraw/zinc/06/77/06/433067706.db2.gz ANEALLQQPJTWAZ-RISCZKNCSA-N 0 0 313.319 3.015 10 30 DGEERN C=C(C)COc1cccc(NS(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000460830567 433070727 /nfs/dbraw/zinc/07/07/27/433070727.db2.gz OZDPYGLBYZNMPI-AWEZNQCLSA-N 0 0 324.446 3.030 10 30 DGEERN CC(=O)c1ccc2c(c1)CCN(c1cc(C)ncc1C#N)CC2 ZINC000425248302 433136763 /nfs/dbraw/zinc/13/67/63/433136763.db2.gz QQOVMPPFFDPSDG-UHFFFAOYSA-N 0 0 305.381 3.070 10 30 DGEERN C=CCC1(CN2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)CCCC1 ZINC000420061469 433104115 /nfs/dbraw/zinc/10/41/15/433104115.db2.gz LTMAXIPEOACNKR-ZNMIVQPWSA-N 0 0 302.418 3.186 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000361447224 433179601 /nfs/dbraw/zinc/17/96/01/433179601.db2.gz INGIVEHQWRQAKZ-SFHVURJKSA-N 0 0 315.413 3.124 10 30 DGEERN C=CCn1c(N2CC3(CCC3)C[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453434232 433183384 /nfs/dbraw/zinc/18/33/84/433183384.db2.gz DZNPKWVEGAFNSE-RHSMWYFYSA-N 0 0 316.449 3.259 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000374277610 433184144 /nfs/dbraw/zinc/18/41/44/433184144.db2.gz MJGBUUXPGKMRTE-HYVNUMGLSA-N 0 0 315.413 3.004 10 30 DGEERN C=CCn1c(N2CCCCC[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453442374 433185342 /nfs/dbraw/zinc/18/53/42/433185342.db2.gz PHLCVFIFHNXIEM-RHSMWYFYSA-N 0 0 304.438 3.259 10 30 DGEERN C=CCn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@@]1(C)CCCO1 ZINC000453443248 433186829 /nfs/dbraw/zinc/18/68/29/433186829.db2.gz QOJBSLZJCFRYSM-HDMKZQKVSA-N 0 0 316.449 3.259 10 30 DGEERN C=C(C)Cn1c(N2CCC[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453467200 433202707 /nfs/dbraw/zinc/20/27/07/433202707.db2.gz QMYOOVWSDHZHBD-YOEHRIQHSA-N 0 0 304.438 3.116 10 30 DGEERN C=CC[C@H](CO)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000337078904 433203951 /nfs/dbraw/zinc/20/39/51/433203951.db2.gz TYFSVYOLILREQX-ZBKGVPMPSA-N 0 0 305.462 3.426 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H](C)CC#N ZINC000350594617 433219149 /nfs/dbraw/zinc/21/91/49/433219149.db2.gz BEKWYIWYSWRDBH-CYBMUJFWSA-N 0 0 313.380 3.317 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CC[C@@](F)(c2ccccc2)C1)OCC ZINC000374606950 433233016 /nfs/dbraw/zinc/23/30/16/433233016.db2.gz WYSBYWYEBHZUNR-WMZOPIPTSA-N 0 0 305.393 3.455 10 30 DGEERN C=CCc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)cc(OC)c1O ZINC000291317066 433235390 /nfs/dbraw/zinc/23/53/90/433235390.db2.gz SFQCSZFRXNQFAQ-INIZCTEOSA-N 0 0 305.418 3.129 10 30 DGEERN C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000425423255 433240682 /nfs/dbraw/zinc/24/06/82/433240682.db2.gz UDZMRMKJGBHFOQ-UHFFFAOYSA-N 0 0 304.346 3.215 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000412931620 433250923 /nfs/dbraw/zinc/25/09/23/433250923.db2.gz HRGFYOUTARONOC-KGLIPLIRSA-N 0 0 305.443 3.246 10 30 DGEERN C[C@@H]1C[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000281047645 433258570 /nfs/dbraw/zinc/25/85/70/433258570.db2.gz GARFMXJHWRWRJR-QDMKHBRRSA-N 0 0 312.413 3.175 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000281131924 433264367 /nfs/dbraw/zinc/26/43/67/433264367.db2.gz YUMYREDFQOXNEZ-OLZOCXBDSA-N 0 0 306.406 3.419 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000425494509 433264917 /nfs/dbraw/zinc/26/49/17/433264917.db2.gz XPXSMPZHRNJSJJ-SDDRHHMPSA-N 0 0 322.371 3.244 10 30 DGEERN C=CCSc1ccccc1NC(=O)CN(CC)[C@H]1CCOC1 ZINC000361585375 433266030 /nfs/dbraw/zinc/26/60/30/433266030.db2.gz CPHUJNYEPVWJGT-AWEZNQCLSA-N 0 0 320.458 3.014 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)N1CCc2ccccc2C1 ZINC000447895679 433320562 /nfs/dbraw/zinc/32/05/62/433320562.db2.gz ZNSXOBSUEIXDBJ-UHFFFAOYSA-N 0 0 310.397 3.488 10 30 DGEERN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000338847679 433321984 /nfs/dbraw/zinc/32/19/84/433321984.db2.gz BZRWFKYZSGVHEU-HOTGVXAUSA-N 0 0 318.465 3.231 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000374793549 433278064 /nfs/dbraw/zinc/27/80/64/433278064.db2.gz LKXOTMFLEJVTNC-MJGOQNOKSA-N 0 0 316.445 3.077 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000281342302 433290710 /nfs/dbraw/zinc/29/07/10/433290710.db2.gz CZBHIELUTWQZMN-NSHDSACASA-N 0 0 302.399 3.311 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000425548825 433294067 /nfs/dbraw/zinc/29/40/67/433294067.db2.gz XDMWFAVRWLAUTE-BZSNNMDCSA-N 0 0 314.429 3.071 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cccc(Cl)c1 ZINC000425567009 433305885 /nfs/dbraw/zinc/30/58/85/433305885.db2.gz CRGZGBCLTHRHRK-ZFWWWQNUSA-N 0 0 308.809 3.073 10 30 DGEERN C=CCCCN(C)C(=O)NCCC(C)(C)C(=O)OC(C)(C)C ZINC000425578327 433307580 /nfs/dbraw/zinc/30/75/80/433307580.db2.gz BLLGFCHTHCGGBF-UHFFFAOYSA-N 0 0 312.454 3.352 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000420914988 433313436 /nfs/dbraw/zinc/31/34/36/433313436.db2.gz ZWTQFHRFXKIZGH-MSOLQXFVSA-N 0 0 316.445 3.384 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCc2c1cccc2F ZINC000281689484 433347519 /nfs/dbraw/zinc/34/75/19/433347519.db2.gz HKLDIEWBRSHVRU-DQYPLSBCSA-N 0 0 318.392 3.093 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000281689486 433347791 /nfs/dbraw/zinc/34/77/91/433347791.db2.gz HKLDIEWBRSHVRU-JLZZUVOBSA-N 0 0 318.392 3.093 10 30 DGEERN Cc1ccc2[nH]c(CNc3ccc([N+](=O)[O-])c(C#N)c3)nc2c1 ZINC000361703194 433349352 /nfs/dbraw/zinc/34/93/52/433349352.db2.gz WUEMCPGGFTZHMI-UHFFFAOYSA-N 0 0 307.313 3.263 10 30 DGEERN C=CCCCNC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000448036429 433356144 /nfs/dbraw/zinc/35/61/44/433356144.db2.gz YCJMRWJQMYHZMB-UHFFFAOYSA-N 0 0 301.434 3.101 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1ccc(OC)c(F)c1 ZINC000299263778 433358154 /nfs/dbraw/zinc/35/81/54/433358154.db2.gz FUHRAIFJIJOCDD-UHFFFAOYSA-N 0 0 319.298 3.344 10 30 DGEERN C=C(CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F)c1ccccc1 ZINC000291835652 433370698 /nfs/dbraw/zinc/37/06/98/433370698.db2.gz GIPCPTODBCAUAX-ZBFHGGJFSA-N 0 0 306.356 3.387 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(F)cc1Br ZINC000447959851 433331605 /nfs/dbraw/zinc/33/16/05/433331605.db2.gz TZHKXPKPUHWURQ-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCCCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000447964948 433334934 /nfs/dbraw/zinc/33/49/34/433334934.db2.gz HGRYGYCSGRZVNE-QGZVFWFLSA-N 0 0 316.401 3.174 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000299159576 433335783 /nfs/dbraw/zinc/33/57/83/433335783.db2.gz ZGMXQYMTHOHRKM-KRWDZBQOSA-N 0 0 311.429 3.133 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OCCC)c(OC)c1 ZINC000447981376 433336486 /nfs/dbraw/zinc/33/64/86/433336486.db2.gz YJYYMEZXJFVSTR-UHFFFAOYSA-N 0 0 306.406 3.249 10 30 DGEERN C=CCCCNC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000447985899 433337683 /nfs/dbraw/zinc/33/76/83/433337683.db2.gz BFWPINLPBYSRAX-CYBMUJFWSA-N 0 0 314.389 3.106 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)CCc1ccccc1 ZINC000425666065 433339360 /nfs/dbraw/zinc/33/93/60/433339360.db2.gz VHQDECDASWGVMX-IRXDYDNUSA-N 0 0 316.445 3.288 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000425667436 433340768 /nfs/dbraw/zinc/34/07/68/433340768.db2.gz DHPZGBIPIIAWMY-ILXRZTDVSA-N 0 0 320.437 3.203 10 30 DGEERN C=CCCCNC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000447988124 433341212 /nfs/dbraw/zinc/34/12/12/433341212.db2.gz MEMUFARFMSQNBQ-UHFFFAOYSA-N 0 0 318.417 3.001 10 30 DGEERN C=CCCCNC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000447993192 433343080 /nfs/dbraw/zinc/34/30/80/433343080.db2.gz YNGZFDMEKBRPEE-UHFFFAOYSA-N 0 0 302.353 3.408 10 30 DGEERN N#Cc1ccc(Nc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301140126 433429531 /nfs/dbraw/zinc/42/95/31/433429531.db2.gz AJUMNHVNDQNJMQ-UHFFFAOYSA-N 0 0 319.324 3.455 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000281847338 433403609 /nfs/dbraw/zinc/40/36/09/433403609.db2.gz ROXDVXPFFGDIGU-PVAVHDDUSA-N 0 0 317.433 3.155 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000426048323 433412075 /nfs/dbraw/zinc/41/20/75/433412075.db2.gz ISCXBGQPRAGNRB-GJZGRUSLSA-N 0 0 304.438 3.238 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000292073275 433452832 /nfs/dbraw/zinc/45/28/32/433452832.db2.gz QCJRPPRBBMPBBI-JTQLQIEISA-N 0 0 305.852 3.274 10 30 DGEERN C#CCNC(=O)c1ccc(N[C@H](C)c2cccc(Cl)c2)nc1 ZINC000301247194 433466677 /nfs/dbraw/zinc/46/66/77/433466677.db2.gz QLRXJISIZNLTHT-GFCCVEGCSA-N 0 0 313.788 3.271 10 30 DGEERN C=CCNC(=O)c1ccc(N(C)Cc2ccc(Cl)cc2)nc1 ZINC000301256424 433470470 /nfs/dbraw/zinc/47/04/70/433470470.db2.gz UANJDVVLCLMMPS-UHFFFAOYSA-N 0 0 315.804 3.287 10 30 DGEERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(C#N)n1C ZINC000448662557 433477173 /nfs/dbraw/zinc/47/71/73/433477173.db2.gz CBGCDHUHOWHBJN-NSHDSACASA-N 0 0 301.777 3.383 10 30 DGEERN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C#N)n1C ZINC000448665989 433480619 /nfs/dbraw/zinc/48/06/19/433480619.db2.gz NQBHYZPARUZJTD-NSHDSACASA-N 0 0 301.777 3.383 10 30 DGEERN N#Cc1cccc(N2CCc3cccc(Br)c3C2)n1 ZINC000301299099 433495370 /nfs/dbraw/zinc/49/53/70/433495370.db2.gz ZONQNAXUTOKLSM-UHFFFAOYSA-N 0 0 314.186 3.278 10 30 DGEERN C=CCOc1ccc(CNCc2nn(C)c(C)c2Cl)cc1 ZINC000421354293 433495794 /nfs/dbraw/zinc/49/57/94/433495794.db2.gz HDWDQFRDIXSIIE-UHFFFAOYSA-N 0 0 305.809 3.237 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CCC[C@]3(CCOC3)C2)c1 ZINC000454589969 433501073 /nfs/dbraw/zinc/50/10/73/433501073.db2.gz XRKWKVQOSPXSNQ-SFHVURJKSA-N 0 0 316.401 3.286 10 30 DGEERN C=C(C)[C@H](Nc1nnc(COC)s1)c1ccc(F)c(F)c1 ZINC000355792987 433556760 /nfs/dbraw/zinc/55/67/60/433556760.db2.gz WRRYUVSAXMEFQT-ZDUSSCGKSA-N 0 0 311.357 3.692 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H]1CCOc2c(C)cccc21)OCC ZINC000355944519 433559128 /nfs/dbraw/zinc/55/91/28/433559128.db2.gz FZQCPDPGEYAFBA-CVEARBPZSA-N 0 0 303.402 3.306 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000426687729 433561740 /nfs/dbraw/zinc/56/17/40/433561740.db2.gz RUNZOMOIXBJGGG-GOSISDBHSA-N 0 0 311.381 3.475 10 30 DGEERN CCS[C@H]1CC[C@]1(O)CNc1cc(C#N)nc2ccccc21 ZINC000301478570 433572664 /nfs/dbraw/zinc/57/26/64/433572664.db2.gz CJZFVZLEVHFYQT-IRXDYDNUSA-N 0 0 313.426 3.165 10 30 DGEERN C#CC[C@@H](NC(=O)NCCCc1nccs1)c1ccccc1 ZINC000292533212 433581414 /nfs/dbraw/zinc/58/14/14/433581414.db2.gz PRUAAJVBNYDSOM-OAHLLOKOSA-N 0 0 313.426 3.140 10 30 DGEERN C[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1C(F)(F)F ZINC000448780358 433544261 /nfs/dbraw/zinc/54/42/61/433544261.db2.gz CVAXOTACEBOFFV-SNVBAGLBSA-N 0 0 321.302 3.407 10 30 DGEERN CCC[C@H](NC(=O)c1ccc(C#N)cc1C)C(=O)OC(C)(C)C ZINC000161336373 292833872 /nfs/dbraw/zinc/83/38/72/292833872.db2.gz CEWNBTKYKWOFRQ-HNNXBMFYSA-N 0 0 316.401 3.107 10 30 DGEERN CC[C@@H](CSc1ccccc1)NC(=O)c1cc(C#N)cn1C ZINC000162243768 292850053 /nfs/dbraw/zinc/85/00/53/292850053.db2.gz HLXBHICKUWVBES-AWEZNQCLSA-N 0 0 313.426 3.197 10 30 DGEERN CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C#N)n1C ZINC000448985368 433640822 /nfs/dbraw/zinc/64/08/22/433640822.db2.gz UZYPIHDVRXELIJ-UHFFFAOYSA-N 0 0 313.376 3.131 10 30 DGEERN N#Cc1cc(NC[C@@H](O)c2ccccc2F)c2ccccc2n1 ZINC000301535720 433599396 /nfs/dbraw/zinc/59/93/96/433599396.db2.gz QRGWKEIMLQNSHU-GOSISDBHSA-N 0 0 307.328 3.391 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)CCCC2=O ZINC000293051234 433615077 /nfs/dbraw/zinc/61/50/77/433615077.db2.gz TXXYBDQCNFAMQW-UHFFFAOYSA-N 0 0 311.303 3.396 10 30 DGEERN C[C@H](Nc1ccc(F)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000301643337 433655382 /nfs/dbraw/zinc/65/53/82/433655382.db2.gz HBKMKJOLMGBYNC-LBPRGKRZSA-N 0 0 307.332 3.451 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(C)Cc1nc2c(s1)CCCC2 ZINC000283065004 433657738 /nfs/dbraw/zinc/65/77/38/433657738.db2.gz WZQPHURHYQINOQ-UHFFFAOYSA-N 0 0 317.462 3.134 10 30 DGEERN C=C[C@H](C)NC(=O)NCc1sc(-c2ccccc2)nc1C ZINC000362381365 433669685 /nfs/dbraw/zinc/66/96/85/433669685.db2.gz XKJVBPNWCJLCRP-NSHDSACASA-N 0 0 301.415 3.492 10 30 DGEERN C=CCC1(CNC(=O)[C@H]2CCCN2c2nccs2)CCCC1 ZINC000456489391 433690109 /nfs/dbraw/zinc/69/01/09/433690109.db2.gz UEPZQIYAAXYHJN-CQSZACIVSA-N 0 0 319.474 3.365 10 30 DGEERN Cc1csc([C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n1 ZINC000173414137 293054798 /nfs/dbraw/zinc/05/47/98/293054798.db2.gz BYOJQGOBRCTNDR-CYBMUJFWSA-N 0 0 303.431 3.242 10 30 DGEERN C=C(C)Cn1c(N2CCO[C@@H](C3CCC3)C2)nnc1C(C)(C)C ZINC000414539309 433701554 /nfs/dbraw/zinc/70/15/54/433701554.db2.gz NAYUAOARVAZRDM-OAHLLOKOSA-N 0 0 318.465 3.157 10 30 DGEERN C=CCNC(=O)NC(=O)[C@@H](C)SC(C)(C)c1ccccc1 ZINC000362401884 433698701 /nfs/dbraw/zinc/69/87/01/433698701.db2.gz KGYAVYKHYPUZBN-GFCCVEGCSA-N 0 0 306.431 3.055 10 30 DGEERN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414543365 433709083 /nfs/dbraw/zinc/70/90/83/433709083.db2.gz SXVPXJAVPVPOTC-GOEBONIOSA-N 0 0 318.465 3.373 10 30 DGEERN CCCc1nc([C@H](Nc2cccc(C#N)n2)c2ccccc2)no1 ZINC000301816101 433736576 /nfs/dbraw/zinc/73/65/76/433736576.db2.gz DJNWIRMCBZHUPT-QGZVFWFLSA-N 0 0 319.368 3.490 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000456603795 433745483 /nfs/dbraw/zinc/74/54/83/433745483.db2.gz WZWAFHWNEWEMOC-ZBFHGGJFSA-N 0 0 302.418 3.055 10 30 DGEERN C=CCC[C@H](NC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1)C(=O)OCC ZINC000456612755 433750581 /nfs/dbraw/zinc/75/05/81/433750581.db2.gz SJKRVQGFCNLYFM-BSWAZPDLSA-N 0 0 315.413 3.050 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](c2ccco2)C1 ZINC000376539190 433767891 /nfs/dbraw/zinc/76/78/91/433767891.db2.gz HJTVIVGNVQMSBU-ZWKOTPCHSA-N 0 0 322.408 3.413 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362451419 433723697 /nfs/dbraw/zinc/72/36/97/433723697.db2.gz LQXBKQCFNBYGOI-CVEARBPZSA-N 0 0 304.434 3.477 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000376571947 433780154 /nfs/dbraw/zinc/78/01/54/433780154.db2.gz AZOMPKHALJUZFZ-UHFFFAOYSA-N 0 0 314.364 3.432 10 30 DGEERN C=CCOc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000414684713 433786836 /nfs/dbraw/zinc/78/68/36/433786836.db2.gz RMWQJODRZSIWPO-NXHRZFHOSA-N 0 0 315.413 3.469 10 30 DGEERN C=C[C@H](C)NC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000362617032 433789333 /nfs/dbraw/zinc/78/93/33/433789333.db2.gz YWXLUOVTOOTRDX-JTQLQIEISA-N 0 0 303.387 3.200 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H](CC)c1nc(-c2ccccc2)c[nH]1 ZINC000376645764 433793382 /nfs/dbraw/zinc/79/33/82/433793382.db2.gz MCICNNUCEUENKJ-KRWDZBQOSA-N 0 0 319.408 3.307 10 30 DGEERN CC1(C#N)CCN(C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000356979247 433796979 /nfs/dbraw/zinc/79/69/79/433796979.db2.gz RFPLOIIQDFHWGQ-AWEZNQCLSA-N 0 0 300.427 3.418 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000456753571 433806969 /nfs/dbraw/zinc/80/69/69/433806969.db2.gz GDQKSLQMCQRDAE-KRWDZBQOSA-N 0 0 307.393 3.315 10 30 DGEERN C=CCCO[C@H](C)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000343494679 433809974 /nfs/dbraw/zinc/80/99/74/433809974.db2.gz BVAMPQBNIVGXBI-CQSZACIVSA-N 0 0 305.422 3.616 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000456767670 433813982 /nfs/dbraw/zinc/81/39/82/433813982.db2.gz IFPKLDWDCRYLQY-CVEARBPZSA-N 0 0 317.404 3.343 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000456764066 433814106 /nfs/dbraw/zinc/81/41/06/433814106.db2.gz HYCRREZGJRBWPD-WMLDXEAASA-N 0 0 317.429 3.072 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000456765813 433815240 /nfs/dbraw/zinc/81/52/40/433815240.db2.gz HIMYFJQDYZLVSM-NSHDSACASA-N 0 0 320.776 3.052 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)CCCc1ncc(C)o1 ZINC000449810453 433817632 /nfs/dbraw/zinc/81/76/32/433817632.db2.gz MARCIFRHBCCPMR-UHFFFAOYSA-N 0 0 323.396 3.392 10 30 DGEERN C=CCC1(C(=O)Nc2cc(-c3ccncc3)[nH]n2)CCCCC1 ZINC000449833846 433826394 /nfs/dbraw/zinc/82/63/94/433826394.db2.gz IHZDBEMIXYUZMB-UHFFFAOYSA-N 0 0 310.401 3.937 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000376848412 433829473 /nfs/dbraw/zinc/82/94/73/433829473.db2.gz VQQPKLFIFYCOMF-CYBMUJFWSA-N 0 0 322.191 3.206 10 30 DGEERN C=C(CC)CNC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000456829837 433844553 /nfs/dbraw/zinc/84/45/53/433844553.db2.gz PFXJFGHKZDSFAV-UHFFFAOYSA-N 0 0 311.307 3.138 10 30 DGEERN CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])c(C#N)n3)c2O1 ZINC000302738981 433846852 /nfs/dbraw/zinc/84/68/52/433846852.db2.gz QIUJXJICTKYYGJ-UHFFFAOYSA-N 0 0 311.297 3.367 10 30 DGEERN Cc1ccc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)nc1C#N ZINC000302738586 433847699 /nfs/dbraw/zinc/84/76/99/433847699.db2.gz BTROVUKHMPJKSL-SMDDNHRTSA-N 0 0 313.323 3.157 10 30 DGEERN C=C(CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000377044883 433848701 /nfs/dbraw/zinc/84/87/01/433848701.db2.gz IIXGTXNTVAYBFK-UHFFFAOYSA-N 0 0 310.401 3.012 10 30 DGEERN CC(=O)[C@H](C)CCCCC(=O)NCc1ccc(C#N)c(F)c1 ZINC000456833142 433850243 /nfs/dbraw/zinc/85/02/43/433850243.db2.gz IBNJLJMAPOJDJN-GFCCVEGCSA-N 0 0 304.365 3.099 10 30 DGEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000362767089 433855627 /nfs/dbraw/zinc/85/56/27/433855627.db2.gz VUMDLGNRYSXNKB-GFCCVEGCSA-N 0 0 319.430 3.249 10 30 DGEERN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449973357 433903095 /nfs/dbraw/zinc/90/30/95/433903095.db2.gz QRSPJOWSRQIFBT-SJCJKPOMSA-N 0 0 311.360 3.259 10 30 DGEERN C=CC(C)(C)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449982388 433906423 /nfs/dbraw/zinc/90/64/23/433906423.db2.gz SVCIBEJPQQITFO-UHFFFAOYSA-N 0 0 303.402 3.470 10 30 DGEERN C#CC[C@H](Cc1ccccc1)N[C@H](C(=O)OC)c1ccsc1 ZINC000285241579 433922923 /nfs/dbraw/zinc/92/29/23/433922923.db2.gz WBTVQDFQISYYDV-SJORKVTESA-N 0 0 313.422 3.186 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)N[C@@H](C(=O)OC)c1ccsc1 ZINC000285241571 433924533 /nfs/dbraw/zinc/92/45/33/433924533.db2.gz WBTVQDFQISYYDV-DLBZAZTESA-N 0 0 313.422 3.186 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1sc(CC)nc1C ZINC000436378874 433953921 /nfs/dbraw/zinc/95/39/21/433953921.db2.gz NRXFNKADHWTZTG-AAEUAGOBSA-N 0 0 309.435 3.117 10 30 DGEERN COc1ccccc1C[C@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000363060946 433963150 /nfs/dbraw/zinc/96/31/50/433963150.db2.gz DVVGWESENQTRJX-OAHLLOKOSA-N 0 0 312.413 3.170 10 30 DGEERN C=C[C@@H](C)NC(=O)CCc1cccc(F)c1Br ZINC000450095687 433969883 /nfs/dbraw/zinc/96/98/83/433969883.db2.gz CDDAQTBDNBUORI-SECBINFHSA-N 0 0 300.171 3.212 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC000285570662 433998851 /nfs/dbraw/zinc/99/88/51/433998851.db2.gz AGHUQAKXCNICLH-IPMKNSEASA-N 0 0 313.441 3.333 10 30 DGEERN C=CCC[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000378071173 434070644 /nfs/dbraw/zinc/07/06/44/434070644.db2.gz LPUVDXYJWNAYKU-CVEARBPZSA-N 0 0 324.428 3.274 10 30 DGEERN C[C@H](CCO)Nc1c(Br)cc(Cl)cc1C#N ZINC000309814082 434100678 /nfs/dbraw/zinc/10/06/78/434100678.db2.gz ZYMQQWBLZQBTSS-SSDOTTSWSA-N 0 0 303.587 3.157 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccnn1C(C)C ZINC000285884041 434094453 /nfs/dbraw/zinc/09/44/53/434094453.db2.gz YUZKWWYESCMYJE-MRXNPFEDSA-N 0 0 310.401 3.220 10 30 DGEERN Cc1cc(Cl)c2ncc(C#N)c(NCCc3cn[nH]c3)c2c1 ZINC000357626933 434110004 /nfs/dbraw/zinc/11/00/04/434110004.db2.gz LGJUXQZVVHPRCS-UHFFFAOYSA-N 0 0 311.776 3.446 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000436822195 434121134 /nfs/dbraw/zinc/12/11/34/434121134.db2.gz SGQMNCFDMMYPJF-ZDUSSCGKSA-N 0 0 301.386 3.286 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000294768873 434142750 /nfs/dbraw/zinc/14/27/50/434142750.db2.gz QUSLWCWJTCXOBY-NSHDSACASA-N 0 0 319.298 3.308 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC000295059879 434173638 /nfs/dbraw/zinc/17/36/38/434173638.db2.gz CCYNXAGWQHBMMZ-GOEBONIOSA-N 0 0 312.369 3.053 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000450465493 434203258 /nfs/dbraw/zinc/20/32/58/434203258.db2.gz FNACSWBYNMBVAT-INIZCTEOSA-N 0 0 323.371 3.402 10 30 DGEERN CN(C(=O)c1coc(Br)c1)c1ccc(C#N)cc1 ZINC000378944325 434254283 /nfs/dbraw/zinc/25/42/83/434254283.db2.gz KPOHXLCCDWHDQI-UHFFFAOYSA-N 0 0 305.131 3.190 10 30 DGEERN C=CCOc1ccc(CNc2nnc(CCC(C)C)o2)cc1 ZINC000347880246 434274084 /nfs/dbraw/zinc/27/40/84/434274084.db2.gz JBJUYSUOQBBJQY-UHFFFAOYSA-N 0 0 301.390 3.835 10 30 DGEERN Cc1cc([C@H](C)NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)o1 ZINC000328633069 434291953 /nfs/dbraw/zinc/29/19/53/434291953.db2.gz SJGRBACAEVQXJJ-HZUKXOBISA-N 0 0 317.389 3.425 10 30 DGEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC23CCCCC3)cn1 ZINC000328617687 434292540 /nfs/dbraw/zinc/29/25/40/434292540.db2.gz CZVPVMGDBNICDV-RRFJBIMHSA-N 0 0 303.406 3.177 10 30 DGEERN CC[C@@H]1CCCCN1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328663971 434296419 /nfs/dbraw/zinc/29/64/19/434296419.db2.gz YGQCTGSVCVPQDE-HUUCEWRRSA-N 0 0 304.438 3.247 10 30 DGEERN Cc1cc(N(C)C)nc(NC(=O)N2CCCC23CCCCC3)n1 ZINC000328658367 434298237 /nfs/dbraw/zinc/29/82/37/434298237.db2.gz QXAXPFSOTCGITD-UHFFFAOYSA-N 0 0 317.437 3.195 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]3CCC[C@H]31)CCC2 ZINC000328702796 434301618 /nfs/dbraw/zinc/30/16/18/434301618.db2.gz JTZMQQOWTNHLBX-HRCADAONSA-N 0 0 316.449 3.247 10 30 DGEERN C#Cc1ccccc1CC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000365622891 434304226 /nfs/dbraw/zinc/30/42/26/434304226.db2.gz JTUSBLFJWLAMKA-UXHICEINSA-N 0 0 319.404 3.247 10 30 DGEERN C=CCOc1cccc(NC(=O)NC2(CCO)CCCC2)c1 ZINC000287062683 434306094 /nfs/dbraw/zinc/30/60/94/434306094.db2.gz PLJNIYJEYAYXLC-UHFFFAOYSA-N 0 0 304.390 3.068 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000295340081 434316073 /nfs/dbraw/zinc/31/60/73/434316073.db2.gz NJIYXXJQTYUTQK-YLJYHZDGSA-N 0 0 306.409 3.211 10 30 DGEERN C#Cc1ccc(CNC(=O)C2(c3ccccc3OC)CC2)cc1 ZINC000295334865 434318530 /nfs/dbraw/zinc/31/85/30/434318530.db2.gz DGBZGONBCROMOS-UHFFFAOYSA-N 0 0 305.377 3.025 10 30 DGEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328826463 434318792 /nfs/dbraw/zinc/31/87/92/434318792.db2.gz HYFNKXTYMBPXCA-GBJTYRQASA-N 0 0 312.479 3.122 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@@H]1CCCCNC1=O ZINC000328880347 434321210 /nfs/dbraw/zinc/32/12/10/434321210.db2.gz VTLNNMIOJLLSMP-FZMZJTMJSA-N 0 0 320.437 3.071 10 30 DGEERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328890049 434325547 /nfs/dbraw/zinc/32/55/47/434325547.db2.gz RKBQYNRAWXDSAE-XGWLTEMNSA-N 0 0 315.417 3.457 10 30 DGEERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000328903022 434326426 /nfs/dbraw/zinc/32/64/26/434326426.db2.gz HIPDFEKGIBAOBB-JYJNAYRXSA-N 0 0 324.428 3.306 10 30 DGEERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CCc2n[nH]nc2C1 ZINC000328946839 434331093 /nfs/dbraw/zinc/33/10/93/434331093.db2.gz BGMREFGRXGFDNG-SMDDNHRTSA-N 0 0 314.364 3.083 10 30 DGEERN C[C@H](NC(=O)[C@H]1CCc2ccccc21)c1nnc2n1CCCC2 ZINC000328952199 434331943 /nfs/dbraw/zinc/33/19/43/434331943.db2.gz XOTSWUXFKRPWOB-WFASDCNBSA-N 0 0 310.401 3.362 10 30 DGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329317502 434391683 /nfs/dbraw/zinc/39/16/83/434391683.db2.gz HVTXHUUJVXFPPY-RDBSUJKOSA-N 0 0 302.422 3.083 10 30 DGEERN CC#CCN(C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000457868716 434383019 /nfs/dbraw/zinc/38/30/19/434383019.db2.gz IKPIPPOFVZBJBY-GFCCVEGCSA-N 0 0 323.234 3.045 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1Cc2ccccc2[C@@H]1C ZINC000438049532 434390059 /nfs/dbraw/zinc/39/00/59/434390059.db2.gz BHNUSQVAGBMWKZ-ZQIUZPCESA-N 0 0 300.402 3.254 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000328961742 434335555 /nfs/dbraw/zinc/33/55/55/434335555.db2.gz QRRGYPNBKIZYLF-ORIJERBGSA-N 0 0 305.422 3.281 10 30 DGEERN C#Cc1ccc(CNC(=O)c2cnn(CC(C)C)c2C2CC2)cc1 ZINC000295378390 434335958 /nfs/dbraw/zinc/33/59/58/434335958.db2.gz GTZRYTPTBQSBFU-UHFFFAOYSA-N 0 0 321.424 3.328 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)C1(C(F)(F)F)CCC1 ZINC000295383926 434336243 /nfs/dbraw/zinc/33/62/43/434336243.db2.gz QYXLOQLZPMHAGM-CQSZACIVSA-N 0 0 309.331 3.470 10 30 DGEERN CC(C)(CNC(=O)N1CCc2cncnc2C1)C1CCCCC1 ZINC000328984720 434340806 /nfs/dbraw/zinc/34/08/06/434340806.db2.gz SYTZISNJAWHNQG-UHFFFAOYSA-N 0 0 316.449 3.355 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)C)nn1C ZINC000287362827 434342400 /nfs/dbraw/zinc/34/24/00/434342400.db2.gz NUSVPGBZWOFZQF-INIZCTEOSA-N 0 0 323.440 3.082 10 30 DGEERN C=CCC1(C(=O)N2CCC(n3cncc3C)CC2)CCCC1 ZINC000450711243 434356199 /nfs/dbraw/zinc/35/61/99/434356199.db2.gz HHSCTRJICIKYHQ-UHFFFAOYSA-N 0 0 301.434 3.492 10 30 DGEERN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCCS2(=O)=O)CC(C)(C)C1 ZINC000329644623 434448952 /nfs/dbraw/zinc/44/89/52/434448952.db2.gz JCXPYWUFLWNGNY-HZSPNIEDSA-N 0 0 315.479 3.373 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(F)cc1C ZINC000438075515 434393945 /nfs/dbraw/zinc/39/39/45/434393945.db2.gz OQEQBHKAONSWSU-PBHICJAKSA-N 0 0 320.408 3.257 10 30 DGEERN C=CCC1(C(=O)Nc2cn(Cc3ccccc3)nn2)CCCC1 ZINC000450761632 434395880 /nfs/dbraw/zinc/39/58/80/434395880.db2.gz NJUJTYWWYWNHOG-UHFFFAOYSA-N 0 0 310.401 3.401 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N(C)CCCCOC ZINC000417453662 434396480 /nfs/dbraw/zinc/39/64/80/434396480.db2.gz OPLGBXJFOJIUFS-UHFFFAOYSA-N 0 0 318.421 3.204 10 30 DGEERN C[C@@H]1Cc2ccccc2[C@@H]1[NH+]=C([O-])N1CC[C@@H](c2cnn(C)c2)C1 ZINC000329356431 434397544 /nfs/dbraw/zinc/39/75/44/434397544.db2.gz ZIQSIKACAMAWOK-DDUZABMNSA-N 0 0 324.428 3.057 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC000358803516 434405205 /nfs/dbraw/zinc/40/52/05/434405205.db2.gz HUXGGJUATGAIBJ-CHWSQXEVSA-N 0 0 318.446 3.444 10 30 DGEERN CO[C@@H](CNC(=O)c1sccc1C#N)c1ccc(Cl)cc1 ZINC000358736557 434405299 /nfs/dbraw/zinc/40/52/99/434405299.db2.gz SJZQZDCOVRBANZ-ZDUSSCGKSA-N 0 0 320.801 3.391 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000183124777 294797930 /nfs/dbraw/zinc/79/79/30/294797930.db2.gz BHUUSWMBCNKXPM-DLBZAZTESA-N 0 0 310.397 3.025 10 30 DGEERN N#Cc1ccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)s1 ZINC000329456480 434412230 /nfs/dbraw/zinc/41/22/30/434412230.db2.gz QCTOLYHJBQBCOY-CQSZACIVSA-N 0 0 304.415 3.041 10 30 DGEERN O=C(Nc1csc(-c2ccccn2)n1)N1C[C@H]2CCC[C@@H]21 ZINC000329455098 434412916 /nfs/dbraw/zinc/41/29/16/434412916.db2.gz PQUFYZYCWXINSN-PWSUYJOCSA-N 0 0 300.387 3.235 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1nnc(-c2ccccc2Cl)s1 ZINC000450806350 434415175 /nfs/dbraw/zinc/41/51/75/434415175.db2.gz QKGHHVTVGPVAGJ-OLZOCXBDSA-N 0 0 321.833 4.004 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000359149257 434416728 /nfs/dbraw/zinc/41/67/28/434416728.db2.gz LWPRBIWMRUOXMM-UHFFFAOYSA-N 0 0 311.263 3.246 10 30 DGEERN C=CCN(CCC#N)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000359443611 434418174 /nfs/dbraw/zinc/41/81/74/434418174.db2.gz XEGDHKIYMNGIKH-UHFFFAOYSA-N 0 0 314.776 3.068 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC000438149685 434423911 /nfs/dbraw/zinc/42/39/11/434423911.db2.gz UVGXLZREHGZBJW-CABCVRRESA-N 0 0 310.438 3.106 10 30 DGEERN CC(C)n1ncc2c1C[C@H](NC(=O)c1cccc3c[nH]nc31)CC2 ZINC000329511970 434426324 /nfs/dbraw/zinc/42/63/24/434426324.db2.gz KVAHYDTXEADNEL-CQSZACIVSA-N 0 0 323.400 3.202 10 30 DGEERN CC#CCN(C)C(=O)CCc1cccc(F)c1Br ZINC000295666845 434428267 /nfs/dbraw/zinc/42/82/67/434428267.db2.gz TYYBDCVRQCPIFD-UHFFFAOYSA-N 0 0 312.182 3.003 10 30 DGEERN C#CCC(CC#C)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000287845831 434463008 /nfs/dbraw/zinc/46/30/08/434463008.db2.gz DKASFRTXLRTGOH-UHFFFAOYSA-N 0 0 301.336 3.119 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000287888531 434476547 /nfs/dbraw/zinc/47/65/47/434476547.db2.gz ZVBOAHKRODERGH-VIFPVBQESA-N 0 0 322.714 3.417 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000417634979 434478769 /nfs/dbraw/zinc/47/87/69/434478769.db2.gz ZRXHGNSQBPJTPV-JTQLQIEISA-N 0 0 316.170 3.097 10 30 DGEERN C=C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000417631724 434481088 /nfs/dbraw/zinc/48/10/88/434481088.db2.gz WEQAIYWKPTXAIO-GFCCVEGCSA-N 0 0 304.777 3.397 10 30 DGEERN CN(C(=O)NC1CCC2(CCCCC2)CC1)[C@H]1CCNC1=O ZINC000329848015 434492136 /nfs/dbraw/zinc/49/21/36/434492136.db2.gz NCIXLZGMSGZNFO-AWEZNQCLSA-N 0 0 307.438 3.454 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000438501721 434498528 /nfs/dbraw/zinc/49/85/28/434498528.db2.gz ALIHAFYUVDLOGO-IBGZPJMESA-N 0 0 317.429 3.313 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1nscc1Br ZINC000404791846 434518497 /nfs/dbraw/zinc/51/84/97/434518497.db2.gz DCKDUYRYHHPOHU-UHFFFAOYSA-N 0 0 303.225 3.238 10 30 DGEERN N#CC1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CCCCC1 ZINC000408114454 434543168 /nfs/dbraw/zinc/54/31/68/434543168.db2.gz XYEUIKFMUVVXSP-UHFFFAOYSA-N 0 0 316.788 3.458 10 30 DGEERN COc1cccc([C@H]2C[C@@H](C)CN2c2nc(C)cc(C#N)n2)c1 ZINC000367269181 434543668 /nfs/dbraw/zinc/54/36/68/434543668.db2.gz GRHGTICAADKQAY-SJKOYZFVSA-N 0 0 308.385 3.253 10 30 DGEERN N#Cc1ccsc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189838311 294984138 /nfs/dbraw/zinc/98/41/38/294984138.db2.gz IYPFXNFTOVNELJ-UHFFFAOYSA-N 0 0 324.405 3.328 10 30 DGEERN C#Cc1ccc(CNCc2nnc(-c3ccccc3)s2)cc1 ZINC000368019095 434562969 /nfs/dbraw/zinc/56/29/69/434562969.db2.gz RCBMRSDKPSLHOD-UHFFFAOYSA-N 0 0 305.406 3.476 10 30 DGEERN C=CCCc1ccccc1NC(=O)c1nn2c(c1C)OCCC2 ZINC000451460982 434570203 /nfs/dbraw/zinc/57/02/03/434570203.db2.gz SHFCVAUKEMEKET-UHFFFAOYSA-N 0 0 311.385 3.345 10 30 DGEERN C=C(C)[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(F)c1 ZINC000368380824 434572918 /nfs/dbraw/zinc/57/29/18/434572918.db2.gz PFCCTTUJXPPVCH-DVOMOZLQSA-N 0 0 322.355 3.155 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000369168923 434591078 /nfs/dbraw/zinc/59/10/78/434591078.db2.gz WNEAMYJAYWYBKU-YESZJQIVSA-N 0 0 302.418 3.418 10 30 DGEERN N#C[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C1CC1 ZINC000369231632 434591465 /nfs/dbraw/zinc/59/14/65/434591465.db2.gz MOUOSIMEXMHBCC-INIZCTEOSA-N 0 0 320.396 3.044 10 30 DGEERN Cc1nnc([C@@H]2CC23CCN(c2nc(C)cc(C)c2C#N)CC3)o1 ZINC000369172770 434591926 /nfs/dbraw/zinc/59/19/26/434591926.db2.gz YBRKNRKQOZMQBH-HNNXBMFYSA-N 0 0 323.400 3.036 10 30 DGEERN C=C(Cl)CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000369513978 434594891 /nfs/dbraw/zinc/59/48/91/434594891.db2.gz VURKUCAKEGCHOA-UHFFFAOYSA-N 0 0 323.755 3.075 10 30 DGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000329304598 295380375 /nfs/dbraw/zinc/38/03/75/295380375.db2.gz XHWDAQMRPHYPEF-BSDSXHPESA-N 0 0 314.429 3.394 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1nc(C)c(Br)s1 ZINC000452400480 434595527 /nfs/dbraw/zinc/59/55/27/434595527.db2.gz URVFFVYNHQSOMO-MRVPVSSYSA-N 0 0 317.252 3.433 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccc1 ZINC000370429342 434613154 /nfs/dbraw/zinc/61/31/54/434613154.db2.gz ZJGBRKHZFUOZBF-LSDHHAIUSA-N 0 0 324.371 3.105 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@@H]1CSC ZINC000424119869 434628321 /nfs/dbraw/zinc/62/83/21/434628321.db2.gz FLHCORQOWCDNDF-CHWSQXEVSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccccn1 ZINC000424130416 434629818 /nfs/dbraw/zinc/62/98/18/434629818.db2.gz UZBCEEQWGRWZJL-CQSZACIVSA-N 0 0 315.446 3.064 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCO[C@H](CCC)C1 ZINC000424125457 434630421 /nfs/dbraw/zinc/63/04/21/434630421.db2.gz OAYDCUVHTTTZAW-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)CCSCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000424127167 434630502 /nfs/dbraw/zinc/63/05/02/434630502.db2.gz UMZSFPDKYIDGJA-UHFFFAOYSA-N 0 0 305.490 3.198 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000424128849 434631500 /nfs/dbraw/zinc/63/15/00/434631500.db2.gz RLMSAJSKUFZSGO-CYBMUJFWSA-N 0 0 313.401 3.165 10 30 DGEERN C#CC[C@H](C)NC(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000370046097 434606066 /nfs/dbraw/zinc/60/60/66/434606066.db2.gz PRPQIXUOTTURQO-AWEZNQCLSA-N 0 0 308.381 3.426 10 30 DGEERN C=CCN(CCOC)c1nnc([C@@H]2CCCS2)n1CC(=C)C ZINC000424242247 434664373 /nfs/dbraw/zinc/66/43/73/434664373.db2.gz JJQAWRGGZNXWAF-AWEZNQCLSA-N 0 0 322.478 3.061 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000410769416 434671946 /nfs/dbraw/zinc/67/19/46/434671946.db2.gz ZWYHQAMDBYKXBC-UHFFFAOYSA-N 0 0 310.482 3.332 10 30 DGEERN C=C(C)CN(CC)c1nnc([C@@H]2Cc3ccccc3O2)n1CC ZINC000460292176 434751413 /nfs/dbraw/zinc/75/14/13/434751413.db2.gz ZYRQEPXDIVMLCC-INIZCTEOSA-N 0 0 312.417 3.377 10 30 DGEERN C=CC(C)(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000452771804 434709130 /nfs/dbraw/zinc/70/91/30/434709130.db2.gz BSCNILXZEMBLMQ-IBGZPJMESA-N 0 0 314.429 3.010 10 30 DGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1CCCCCC1 ZINC000452789503 434716225 /nfs/dbraw/zinc/71/62/25/434716225.db2.gz GROFHSXDURWFGF-GOSISDBHSA-N 0 0 322.449 3.335 10 30 DGEERN C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000424601440 434754829 /nfs/dbraw/zinc/75/48/29/434754829.db2.gz PRJGLDAEMLGPBM-IAGOWNOFSA-N 0 0 324.428 3.310 10 30 DGEERN C/C(=C\C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000371542280 434729696 /nfs/dbraw/zinc/72/96/96/434729696.db2.gz JPPGLWFYTOWRDQ-DTQAZKPQSA-N 0 0 323.440 3.017 10 30 DGEERN N#CC1CCC(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000440659010 434730152 /nfs/dbraw/zinc/73/01/52/434730152.db2.gz DVMRLLFZZCTNFE-UHFFFAOYSA-N 0 0 310.357 3.885 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)C1(CF)CCOCC1 ZINC000460021868 434739965 /nfs/dbraw/zinc/73/99/65/434739965.db2.gz PFPZIZAXOIHPLG-UHFFFAOYSA-N 0 0 309.356 3.107 10 30 DGEERN C=CCC1(C(=O)Nc2cccc(NC(C)=O)c2C)CCOCC1 ZINC000424567274 434743839 /nfs/dbraw/zinc/74/38/39/434743839.db2.gz PHPRIZDJOMSNPK-UHFFFAOYSA-N 0 0 316.401 3.265 10 30 DGEERN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000424637835 434764842 /nfs/dbraw/zinc/76/48/42/434764842.db2.gz FVUOUEQDJQGGNJ-HNNXBMFYSA-N 0 0 316.445 3.240 10 30 DGEERN C=CCC1(C(=O)NCCc2cc3ccccc3o2)CCOCC1 ZINC000424692345 434780408 /nfs/dbraw/zinc/78/04/08/434780408.db2.gz WKZQAKUBUQLODY-UHFFFAOYSA-N 0 0 313.397 3.464 10 30 DGEERN C=CCC1(C(=O)Nc2cc(CC(C)(C)C)nn2C)CCOCC1 ZINC000424668819 434773916 /nfs/dbraw/zinc/77/39/16/434773916.db2.gz XCYDEWWULRUCRH-UHFFFAOYSA-N 0 0 319.449 3.320 10 30 DGEERN COc1cc(CNc2cc(C3(C)CCCC3)on2)ccc1C#N ZINC000443063080 434774881 /nfs/dbraw/zinc/77/48/81/434774881.db2.gz VQFJAXDZZUCJST-UHFFFAOYSA-N 0 0 311.385 3.999 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(CC)cc2)CCOCC1 ZINC000424680918 434777641 /nfs/dbraw/zinc/77/76/41/434777641.db2.gz NJNWMNNRVNHHEP-UHFFFAOYSA-N 0 0 301.430 3.281 10 30 DGEERN C=CCN(C(=O)C(=O)Nc1c(Cl)ccc(C)c1C)C1CC1 ZINC000411432566 434779156 /nfs/dbraw/zinc/77/91/56/434779156.db2.gz RYWADNLUXCEEPB-UHFFFAOYSA-N 0 0 306.793 3.072 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCC3)CCOCC1 ZINC000424730544 434790270 /nfs/dbraw/zinc/79/02/70/434790270.db2.gz DWZPKMCOIODLCY-HZPDHXFCSA-N 0 0 321.461 3.165 10 30 DGEERN C=CC[C@H]1N(C(=O)Nc2ncn(C(C)(C)C)n2)CCCC1(C)C ZINC000445107160 434791239 /nfs/dbraw/zinc/79/12/39/434791239.db2.gz IZVDUXPKULBGLZ-CYBMUJFWSA-N 0 0 319.453 3.632 10 30 DGEERN C=CCN(CCOC)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000361090734 434795347 /nfs/dbraw/zinc/79/53/47/434795347.db2.gz DEROASLLSGHLLX-UHFFFAOYSA-N 0 0 318.200 3.033 10 30 DGEERN C=C(C)C(C)(C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000424838260 434813505 /nfs/dbraw/zinc/81/35/05/434813505.db2.gz DORATVCQVHIMAL-UHFFFAOYSA-N 0 0 300.324 3.361 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)CCCc2cccnc2)CCOCC1 ZINC000424899689 434826981 /nfs/dbraw/zinc/82/69/81/434826981.db2.gz VPIRLOMUDRTSQB-INIZCTEOSA-N 0 0 316.445 3.282 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1cc(C)ccc1C ZINC000424915201 434828765 /nfs/dbraw/zinc/82/87/65/434828765.db2.gz OSYWHSBPXUFIJD-GJZGRUSLSA-N 0 0 305.443 3.103 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)Oc1ccccc1Cl ZINC000424933663 434830109 /nfs/dbraw/zinc/83/01/09/434830109.db2.gz RMUICQHQZKGKJE-QEJZJMRPSA-N 0 0 323.820 3.205 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1ccc(CC)cc1 ZINC000424933441 434830189 /nfs/dbraw/zinc/83/01/89/434830189.db2.gz QOFKTFDQQKHINW-RDJZCZTQSA-N 0 0 301.430 3.234 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000424933194 434830303 /nfs/dbraw/zinc/83/03/03/434830303.db2.gz PRIFFIRNJGHITP-YESZJQIVSA-N 0 0 317.429 3.250 10 30 DGEERN N#Cc1cnccc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000372479785 434833157 /nfs/dbraw/zinc/83/31/57/434833157.db2.gz CRGFHMYLIPDTPK-SFHVURJKSA-N 0 0 311.360 3.042 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)CCOCC1 ZINC000424980512 434837502 /nfs/dbraw/zinc/83/75/02/434837502.db2.gz KPTDUHPAABDPJV-YJBOKZPZSA-N 0 0 303.377 3.113 10 30 DGEERN C=CCc1ccc(OCC(=O)N2CC[C@@H](C(C)C)C2)c(OC)c1 ZINC000446333236 434859493 /nfs/dbraw/zinc/85/94/93/434859493.db2.gz SHGDSDZUIUNLAE-MRXNPFEDSA-N 0 0 317.429 3.307 10 30 DGEERN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000521323755 434879801 /nfs/dbraw/zinc/87/98/01/434879801.db2.gz OCNVQPHSHRPCCF-IRXDYDNUSA-N 0 0 319.412 3.382 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(Cc3ccccc3F)CC2)n1 ZINC000553390221 434890431 /nfs/dbraw/zinc/89/04/31/434890431.db2.gz UTRBVBJHMJQHCH-UHFFFAOYSA-N 0 0 310.376 3.255 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@H](C)C[C@H]1C ZINC000460951682 434867132 /nfs/dbraw/zinc/86/71/32/434867132.db2.gz XMSCJCHAUZGDMZ-HUUCEWRRSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000521186700 434872919 /nfs/dbraw/zinc/87/29/19/434872919.db2.gz MCASIOTUOKAYRZ-GFCCVEGCSA-N 0 0 301.308 3.339 10 30 DGEERN C=CCn1c(CC)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000554610710 434940388 /nfs/dbraw/zinc/94/03/88/434940388.db2.gz AYGQQPZWCGGJSI-NSHDSACASA-N 0 0 316.371 3.441 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c1CCCC2 ZINC000574172246 434956641 /nfs/dbraw/zinc/95/66/41/434956641.db2.gz UZHHUOIQDICXAU-QGZVFWFLSA-N 0 0 323.440 3.066 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCO[C@H](CC)C1 ZINC000555255657 434966937 /nfs/dbraw/zinc/96/69/37/434966937.db2.gz JGRDIBNGDRCZQZ-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN CC#CCN(C)c1ccc(Br)c(C(F)(F)F)n1 ZINC000555271993 434968870 /nfs/dbraw/zinc/96/88/70/434968870.db2.gz FUSJMJFSAMWAQJ-UHFFFAOYSA-N 0 0 307.113 3.322 10 30 DGEERN C=CCN(C)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000573796949 434927086 /nfs/dbraw/zinc/92/70/86/434927086.db2.gz BKEDFWKJRKIIAK-ZIAGYGMSSA-N 0 0 312.417 3.417 10 30 DGEERN C=CCCS(=O)(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000528551155 435025916 /nfs/dbraw/zinc/02/59/16/435025916.db2.gz GYEITCAUZSQVMR-HNNXBMFYSA-N 0 0 311.422 3.300 10 30 DGEERN C=C(C)CCc1noc(Cc2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000556805871 435027205 /nfs/dbraw/zinc/02/72/05/435027205.db2.gz OGFBMCLSJWAJDS-UHFFFAOYSA-N 0 0 323.400 3.367 10 30 DGEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1C(F)(F)F ZINC000575345188 435030420 /nfs/dbraw/zinc/03/04/20/435030420.db2.gz FLNTZIPEKYMHHO-UHFFFAOYSA-N 0 0 313.153 3.262 10 30 DGEERN CCOC(=O)Cc1c(C#N)c(OC(F)F)ccc1C(F)F ZINC000575385521 435034021 /nfs/dbraw/zinc/03/40/21/435034021.db2.gz XMZPPBYAWYSLOF-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000555607599 434979816 /nfs/dbraw/zinc/97/98/16/434979816.db2.gz WJMNVGMPFKNLCC-HOTGVXAUSA-N 0 0 316.449 3.071 10 30 DGEERN CC1(c2cc(NC(=O)NCc3cccc(C#N)c3)no2)CCCC1 ZINC000574471859 434981178 /nfs/dbraw/zinc/98/11/78/434981178.db2.gz CZSKGZGWOSVNRJ-UHFFFAOYSA-N 0 0 324.384 3.700 10 30 DGEERN C=C[C@H](C)NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000464758387 434996804 /nfs/dbraw/zinc/99/68/04/434996804.db2.gz XSNMCRYDQXYUGY-WFASDCNBSA-N 0 0 304.390 3.125 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000574749351 435001530 /nfs/dbraw/zinc/00/15/30/435001530.db2.gz PPHFVYNBRVVVCT-GWCFXTLKSA-N 0 0 314.307 3.418 10 30 DGEERN COC(=O)c1c(C#N)cc(Br)cc1C(F)(F)F ZINC000575383564 435033116 /nfs/dbraw/zinc/03/31/16/435033116.db2.gz AMKLRIPUHCGUCA-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)c1ccc(Br)c(C(F)F)c1C#N ZINC000575382776 435033129 /nfs/dbraw/zinc/03/31/29/435033129.db2.gz YGNBTLYROKUPNW-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN CCOC(=O)Cc1c(C#N)c(Br)ccc1C(F)F ZINC000575382744 435033132 /nfs/dbraw/zinc/03/31/32/435033132.db2.gz KAKBHVCEPKYZGJ-UHFFFAOYSA-N 0 0 318.117 3.364 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)c(OC)cc1C ZINC000574956013 435004644 /nfs/dbraw/zinc/00/46/44/435004644.db2.gz HABPTTHODQJSGB-AWEZNQCLSA-N 0 0 318.417 3.112 10 30 DGEERN COC(=O)Cc1cc(C(F)(F)F)c(Br)cc1C#N ZINC000575383840 435033199 /nfs/dbraw/zinc/03/31/99/435033199.db2.gz MPBXCWHYRHMBMP-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN COC(=O)c1cc(OC(F)(F)F)cc(Br)c1C#N ZINC000575383510 435033239 /nfs/dbraw/zinc/03/32/39/435033239.db2.gz MJZKJHLVGBDTOL-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN COC(=O)Cc1cc(Br)c(C(F)(F)F)c(C#N)c1 ZINC000575383639 435033359 /nfs/dbraw/zinc/03/33/59/435033359.db2.gz CRINFHSGQYFSQM-UHFFFAOYSA-N 0 0 322.080 3.055 10 30 DGEERN CCOC(=O)Cc1ccc(Cl)c(OC(F)(F)F)c1C#N ZINC000575383226 435033421 /nfs/dbraw/zinc/03/34/21/435033421.db2.gz KAXVAFINZDVIDA-UHFFFAOYSA-N 0 0 307.655 3.216 10 30 DGEERN C=CCCCCCNC(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC000576954686 435058662 /nfs/dbraw/zinc/05/86/62/435058662.db2.gz WXUVIHDCTVRPRK-UHFFFAOYSA-N 0 0 303.406 3.152 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H]1COc2cc(OC)ccc21 ZINC000577623445 435061137 /nfs/dbraw/zinc/06/11/37/435061137.db2.gz PORHLIFVOAUMQQ-CQSZACIVSA-N 0 0 303.402 3.424 10 30 DGEERN C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000466389964 435074772 /nfs/dbraw/zinc/07/47/72/435074772.db2.gz SKUIWDDASQTOQB-JLJPHGGASA-N 0 0 302.418 3.375 10 30 DGEERN CCOC(=O)c1ccc(SC(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575394248 435035514 /nfs/dbraw/zinc/03/55/14/435035514.db2.gz QMIOFVXYQNNLDG-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000529352337 435035509 /nfs/dbraw/zinc/03/55/09/435035509.db2.gz XUJUCJMNZWTXGB-ZFWWWQNUSA-N 0 0 324.218 3.041 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(F)c1SC(F)(F)F ZINC000575390665 435035597 /nfs/dbraw/zinc/03/55/97/435035597.db2.gz MYXDNQWUOJMEHG-UHFFFAOYSA-N 0 0 307.268 3.415 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1sc2ncccc2c1Cl ZINC000529454706 435036486 /nfs/dbraw/zinc/03/64/86/435036486.db2.gz SQVRNZBDLOSVSO-ZJUUUORDSA-N 0 0 308.790 3.023 10 30 DGEERN CCOC(=O)c1cc(SC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575394821 435036497 /nfs/dbraw/zinc/03/64/97/435036497.db2.gz WLEZELDUOODUOE-UHFFFAOYSA-N 0 0 320.248 3.255 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@]1(C)Br ZINC000529492957 435037227 /nfs/dbraw/zinc/03/72/27/435037227.db2.gz WVJGZFHMKNKCOA-IJEWVQPXSA-N 0 0 322.246 3.464 10 30 DGEERN CCc1c(I)cc(C#N)cc1OC(F)F ZINC000575654479 435038594 /nfs/dbraw/zinc/03/85/94/435038594.db2.gz FDNRNMDFUOUCOD-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1cc(I)c(C#N)c(OC(F)F)c1 ZINC000575656243 435039511 /nfs/dbraw/zinc/03/95/11/435039511.db2.gz RJIGXZRJUWTLCY-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN N#CCc1c(F)cc(C(F)F)cc1I ZINC000575665886 435040919 /nfs/dbraw/zinc/04/09/19/435040919.db2.gz AMHZBKAGAINONB-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575669050 435041969 /nfs/dbraw/zinc/04/19/69/435041969.db2.gz XQCHGDUAUBVJDT-UHFFFAOYSA-N 0 0 312.150 3.161 10 30 DGEERN CCOc1cc(I)c(CC)c(C#N)c1 ZINC000575670068 435042340 /nfs/dbraw/zinc/04/23/40/435042340.db2.gz FHSQBCQLWKJSNT-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN C=CC(C)(C)CCN1C(=O)CN(CCc2ccccc2)C1=O ZINC000530193236 435042785 /nfs/dbraw/zinc/04/27/85/435042785.db2.gz CBEHJNXGAJFZDJ-UHFFFAOYSA-N 0 0 300.402 3.096 10 30 DGEERN N#CCc1cc([N+](=O)[O-])c(Br)cc1OC(F)F ZINC000575684666 435043897 /nfs/dbraw/zinc/04/38/97/435043897.db2.gz HKVVMNDTBPSUJS-UHFFFAOYSA-N 0 0 307.050 3.025 10 30 DGEERN Cc1ccc(C#N)c(Br)c1I ZINC000575691998 435045373 /nfs/dbraw/zinc/04/53/73/435045373.db2.gz AJYVFDBLOYUFNR-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN Cc1c(Br)cc(C#N)cc1I ZINC000575693288 435045377 /nfs/dbraw/zinc/04/53/77/435045377.db2.gz QBRQIPXHOCGVQM-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN COc1cc(I)c(SC)cc1CC#N ZINC000575709280 435048810 /nfs/dbraw/zinc/04/88/10/435048810.db2.gz UFVFDRANZPCFSQ-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN C=CCCCCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000575999502 435053497 /nfs/dbraw/zinc/05/34/97/435053497.db2.gz HWSMNZSZKSHUQK-UHFFFAOYSA-N 0 0 316.449 3.096 10 30 DGEERN N#Cc1cnc2ccc(Cl)cc2c1NCCOCC1CCC1 ZINC000558650652 435103826 /nfs/dbraw/zinc/10/38/26/435103826.db2.gz IDGAKFTVIVVCAZ-UHFFFAOYSA-N 0 0 315.804 3.410 10 30 DGEERN CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1 ZINC000558926903 435115421 /nfs/dbraw/zinc/11/54/21/435115421.db2.gz OONCZDYYMXDXHV-HUUCEWRRSA-N 0 0 311.433 3.436 10 30 DGEERN C=CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1 ZINC000467372957 435118291 /nfs/dbraw/zinc/11/82/91/435118291.db2.gz HSVCTODTFPXBIN-RYQLBKOJSA-N 0 0 315.413 3.025 10 30 DGEERN CSc1cc(C)ccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531794695 435118746 /nfs/dbraw/zinc/11/87/46/435118746.db2.gz ZUWSHJJYPOGOGP-UHFFFAOYSA-N 0 0 310.422 3.448 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000476100723 435223030 /nfs/dbraw/zinc/22/30/30/435223030.db2.gz FLFITGOSBUQLSD-FZKQIMNGSA-N 0 0 321.392 3.323 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC[C@H]1CSc2ccccc2O1)OCC ZINC000580648347 435236712 /nfs/dbraw/zinc/23/67/12/435236712.db2.gz GCVXZUCQAFYKET-DZGCQCFKSA-N 0 0 321.442 3.027 10 30 DGEERN C=CCCCCCNC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000563375832 435265459 /nfs/dbraw/zinc/26/54/59/435265459.db2.gz YABSDHWUUZODBF-DLBZAZTESA-N 0 0 317.433 3.347 10 30 DGEERN C=CCCCCCNC(=O)N1CCC(CCC(=O)OC)CC1 ZINC000563375193 435265982 /nfs/dbraw/zinc/26/59/82/435265982.db2.gz ZPZNUXQYVNJISS-UHFFFAOYSA-N 0 0 310.438 3.108 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000566140144 435285334 /nfs/dbraw/zinc/28/53/34/435285334.db2.gz QGLSRCXVBAJDEC-OKZBNKHCSA-N 0 0 314.429 3.418 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@@H]1c1nc(C)no1 ZINC000566435024 435286712 /nfs/dbraw/zinc/28/67/12/435286712.db2.gz LXEYLPZXLZTEPU-CQSZACIVSA-N 0 0 306.410 3.361 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000566628200 435287361 /nfs/dbraw/zinc/28/73/61/435287361.db2.gz KTOYWACLHCCKKM-JOCHJYFZSA-N 0 0 322.474 3.312 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1csnn1 ZINC000567220042 435298586 /nfs/dbraw/zinc/29/85/86/435298586.db2.gz LHSJZWZBGOYMRG-NSHDSACASA-N 0 0 320.393 3.136 10 30 DGEERN N#C[C@]12CN(Cc3ccccc3)C[C@@H]1c1c(F)cccc1OC2 ZINC000498050572 435302333 /nfs/dbraw/zinc/30/23/33/435302333.db2.gz NUOXHMCWCKVXCG-DNVCBOLYSA-N 0 0 308.356 3.327 10 30 DGEERN C=C(C)CN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000479284821 435325428 /nfs/dbraw/zinc/32/54/28/435325428.db2.gz NBZKTGXPSSUSLG-UHFFFAOYSA-N 0 0 307.353 3.394 10 30 DGEERN Cc1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c(C)cn1 ZINC000535749230 435347381 /nfs/dbraw/zinc/34/73/81/435347381.db2.gz WBODRHMBVDHXCM-SFHVURJKSA-N 0 0 323.396 3.034 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1Cl ZINC000567728576 435347988 /nfs/dbraw/zinc/34/79/88/435347988.db2.gz KNRGHAADHJNSJN-XUJVJEKNSA-N 0 0 308.809 3.291 10 30 DGEERN C=CCCCC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000481120814 435411629 /nfs/dbraw/zinc/41/16/29/435411629.db2.gz RHQSBCTWEMZRAF-JKSUJKDBSA-N 0 0 307.434 3.313 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCC1CCCC1 ZINC000480543187 435383328 /nfs/dbraw/zinc/38/33/28/435383328.db2.gz BPDAKCCKJLPAGD-UHFFFAOYSA-N 0 0 320.433 3.440 10 30 DGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)OC)o1 ZINC000513554889 435393734 /nfs/dbraw/zinc/39/37/34/435393734.db2.gz UDZUPQPLCIIOCM-UHFFFAOYSA-N 0 0 317.297 3.282 10 30 DGEERN C=CCCCCCNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O ZINC000515309558 435475174 /nfs/dbraw/zinc/47/51/74/435475174.db2.gz GUSCJRTUKRHSDD-UHFFFAOYSA-N 0 0 305.422 3.264 10 30 DGEERN CC#CCN(C)C(=O)CCOc1cccc(Cl)c1Cl ZINC000569089086 435502553 /nfs/dbraw/zinc/50/25/53/435502553.db2.gz AATFRVSCMXSYOP-UHFFFAOYSA-N 0 0 300.185 3.244 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000568945005 435485038 /nfs/dbraw/zinc/48/50/38/435485038.db2.gz DKMFIGZFGHIUNO-CQSZACIVSA-N 0 0 318.421 3.115 10 30 DGEERN C[C@@H](c1cccc(C#N)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000484544335 435547766 /nfs/dbraw/zinc/54/77/66/435547766.db2.gz LBKXZGCXUFBHLO-JXFKEZNVSA-N 0 0 322.408 3.399 10 30 DGEERN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](COc2ccccc2)C1 ZINC000484561389 435547894 /nfs/dbraw/zinc/54/78/94/435547894.db2.gz FPQBYMZPKIHNDW-JXFKEZNVSA-N 0 0 322.408 3.399 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000516645566 435543798 /nfs/dbraw/zinc/54/37/98/435543798.db2.gz GTCOCSHVGADGOA-ZBEGNZNMSA-N 0 0 318.804 3.071 10 30 DGEERN C=CCn1c(SC2CC(OC)C2)nnc1-c1ccoc1C ZINC000570349479 435612857 /nfs/dbraw/zinc/61/28/57/435612857.db2.gz SSHQDWURGFWYQL-UHFFFAOYSA-N 0 0 305.403 3.302 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000540778986 435615942 /nfs/dbraw/zinc/61/59/42/435615942.db2.gz PMJFJSQHDAVXKN-KRWDZBQOSA-N 0 0 324.355 3.270 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCO[C@H](C2CCCCC2)C1)OCC ZINC000541772220 435646178 /nfs/dbraw/zinc/64/61/78/435646178.db2.gz WFGPATDECYRUAN-IRXDYDNUSA-N 0 0 309.450 3.165 10 30 DGEERN C=C[C@H](C)NC(=O)Nc1cc(F)cc(Br)c1F ZINC000490485394 435659124 /nfs/dbraw/zinc/65/91/24/435659124.db2.gz RYKCAIWGXPSIBS-LURJTMIESA-N 0 0 305.122 3.423 10 30 DGEERN COCCC1(CNC(=O)Cc2cccc(C#N)c2)CCCCC1 ZINC000548175387 435675811 /nfs/dbraw/zinc/67/58/11/435675811.db2.gz XTVWHUXUDQKTKS-UHFFFAOYSA-N 0 0 314.429 3.204 10 30 DGEERN N#Cc1cnccc1Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000548152338 435673211 /nfs/dbraw/zinc/67/32/11/435673211.db2.gz YJIVJPDOKJBGNN-UHFFFAOYSA-N 0 0 303.369 3.195 10 30 DGEERN N#Cc1cnccc1N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000548152763 435673808 /nfs/dbraw/zinc/67/38/08/435673808.db2.gz WTLZLTFWZDJMTH-DOMZBBRYSA-N 0 0 303.287 3.362 10 30 DGEERN N#Cc1cnccc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000548153760 435673904 /nfs/dbraw/zinc/67/39/04/435673904.db2.gz PHZCJQPUEZWEGP-LJQANCHMSA-N 0 0 307.397 3.271 10 30 DGEERN C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CCCC)C(=O)[O-] ZINC000520594838 435761030 /nfs/dbraw/zinc/76/10/30/435761030.db2.gz UHSIRSIYYQTMJQ-OAHLLOKOSA-N 0 0 306.362 3.226 10 30 DGEERN C[C@@H](CO)[C@@H](C)Nc1c(Br)cc(Cl)cc1C#N ZINC000519847749 435713718 /nfs/dbraw/zinc/71/37/18/435713718.db2.gz ZTTPHQCEDAFHLB-JGVFFNPUSA-N 0 0 317.614 3.403 10 30 DGEERN C[C@]1(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)CCCNC1=O ZINC000330298917 300742088 /nfs/dbraw/zinc/74/20/88/300742088.db2.gz HREIMQCHBDDNDN-CPUCHLNUSA-N 0 0 302.374 3.230 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCCC[C@H]1c1ncon1 ZINC000189637913 301074078 /nfs/dbraw/zinc/07/40/78/301074078.db2.gz GSABAHGCLIFXMY-HNNXBMFYSA-N 0 0 310.357 3.007 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000126502784 301074531 /nfs/dbraw/zinc/07/45/31/301074531.db2.gz LCKDZCRLHCPESQ-BEFAXECRSA-N 0 0 320.392 3.469 10 30 DGEERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000334129406 301772312 /nfs/dbraw/zinc/77/23/12/301772312.db2.gz SFEJVMLVIOZFTR-TVFCKZIOSA-N 0 0 312.413 3.271 10 30 DGEERN N#Cc1ccccc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510285 303205930 /nfs/dbraw/zinc/20/59/30/303205930.db2.gz JENDIUMTCAWGRU-QGZVFWFLSA-N 0 0 321.428 3.213 10 30 DGEERN Cc1cccc([C@@H]2CCN(C(=O)Cc3cccc(C#N)c3)C2)c1 ZINC000542305544 314068606 /nfs/dbraw/zinc/06/86/06/314068606.db2.gz FJWIUBRVSLHFJP-LJQANCHMSA-N 0 0 304.393 3.425 10 30 DGEERN CN(C)c1ccc(-c2noc(/C=C\c3cccc(C#N)c3)n2)cn1 ZINC000547078398 314342801 /nfs/dbraw/zinc/34/28/01/314342801.db2.gz VVCJOWKZMBJDOX-TWGQIWQCSA-N 0 0 317.352 3.240 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC000549073750 314493071 /nfs/dbraw/zinc/49/30/71/314493071.db2.gz FBQPKPHIGRPCGZ-UHFFFAOYSA-N 0 0 320.270 3.480 10 30 DGEERN COc1cccc(Cl)c1CNC(=O)Cc1cccc(C#N)c1 ZINC000562313832 315008824 /nfs/dbraw/zinc/00/88/24/315008824.db2.gz BZHSEIUIUHMDII-UHFFFAOYSA-N 0 0 314.772 3.079 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000567440427 315421147 /nfs/dbraw/zinc/42/11/47/315421147.db2.gz LEVPDUSZJIOONZ-UHFFFAOYSA-N 0 0 302.765 3.321 10 30 DGEERN Cc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccccc1 ZINC000567489728 315425393 /nfs/dbraw/zinc/42/53/93/315425393.db2.gz MSQFWEPBTLKHOQ-UHFFFAOYSA-N 0 0 317.396 3.143 10 30 DGEERN Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c(C)n1 ZINC000182661684 323308015 /nfs/dbraw/zinc/30/80/15/323308015.db2.gz RUPTWRJTYZICCJ-UHFFFAOYSA-N 0 0 306.369 3.096 10 30 DGEERN CN1CCc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc21 ZINC000189012034 323431464 /nfs/dbraw/zinc/43/14/64/323431464.db2.gz YGJRUQRQJRTDRP-UHFFFAOYSA-N 0 0 317.392 3.221 10 30 DGEERN COC1(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000189180753 323433407 /nfs/dbraw/zinc/43/34/07/323433407.db2.gz OLUDXLQHLYZJPE-UHFFFAOYSA-N 0 0 312.413 3.055 10 30 DGEERN C=C(C)Cn1c(-c2ncccn2)nnc1N1CCCCC[C@@H]1C ZINC000570549957 332771446 /nfs/dbraw/zinc/77/14/46/332771446.db2.gz KMNGAXQEUQYPBE-AWEZNQCLSA-N 0 0 312.421 3.080 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc(C)nn1-c1ccccn1 ZINC000572778922 332806657 /nfs/dbraw/zinc/80/66/57/332806657.db2.gz YZUFWXLECCIHAL-UHFFFAOYSA-N 0 0 313.405 3.444 10 30 DGEERN C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000521318640 331522083 /nfs/dbraw/zinc/52/20/83/331522083.db2.gz JYFYVRIMBYCUMR-DOTOQJQBSA-N 0 0 324.428 3.340 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccoc1 ZINC000063403656 331609290 /nfs/dbraw/zinc/60/92/90/331609290.db2.gz WFISMNMSHRFOIG-UHFFFAOYSA-N 0 0 315.329 3.086 10 30 DGEERN C=CCCCCCNC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000564584210 331718817 /nfs/dbraw/zinc/71/88/17/331718817.db2.gz ISIGCPVJPNEHAT-UHFFFAOYSA-N 0 0 304.438 3.488 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000186429195 332925998 /nfs/dbraw/zinc/92/59/98/332925998.db2.gz WBOYPMRWIPPBIV-RHSMWYFYSA-N 0 0 320.408 3.293 10 30 DGEERN C=CC[C@H](CO)CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000557501027 331795206 /nfs/dbraw/zinc/79/52/06/331795206.db2.gz FRJMDDYRAQFGIK-LRDDRELGSA-N 0 0 322.836 3.275 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000564886895 331907253 /nfs/dbraw/zinc/90/72/53/331907253.db2.gz UYXWZZDTCSJZPO-HOCLYGCPSA-N 0 0 318.417 3.495 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000580090463 332935026 /nfs/dbraw/zinc/93/50/26/332935026.db2.gz BOKUEOUPIVNMLZ-OAHLLOKOSA-N 0 0 318.417 3.137 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@@H](COC)C1 ZINC000558996865 331964937 /nfs/dbraw/zinc/96/49/37/331964937.db2.gz VNQXTMSQHGHGJM-MRXNPFEDSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2cnn(C(C)C)c2)CCOCC1 ZINC000566126184 331981514 /nfs/dbraw/zinc/98/15/14/331981514.db2.gz CJLMMBXZHPJRLN-AWEZNQCLSA-N 0 0 305.422 3.014 10 30 DGEERN C=CCCCCCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000569500506 332107810 /nfs/dbraw/zinc/10/78/10/332107810.db2.gz KNCNUNMYPCZMCU-UHFFFAOYSA-N 0 0 310.325 3.219 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000584288104 332215205 /nfs/dbraw/zinc/21/52/05/332215205.db2.gz PJQRYKXBORSFNT-ZLDLUXBVSA-N 0 0 308.809 3.291 10 30 DGEERN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@](C)(C#N)CC(C)C ZINC000533877620 332230025 /nfs/dbraw/zinc/23/00/25/332230025.db2.gz ANFAQKQVHFPYSP-RHSMWYFYSA-N 0 0 306.381 3.428 10 30 DGEERN CC[C@H](Oc1ccccc1F)C(=O)N[C@](C)(C#N)CC(C)C ZINC000533877622 332230119 /nfs/dbraw/zinc/23/01/19/332230119.db2.gz ANFAQKQVHFPYSP-YOEHRIQHSA-N 0 0 306.381 3.428 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000425587717 335107627 /nfs/dbraw/zinc/10/76/27/335107627.db2.gz SESBLKRRVOTVFB-WQGACYEGSA-N 0 0 324.371 3.258 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000185028950 335108204 /nfs/dbraw/zinc/10/82/04/335108204.db2.gz QCERUZNYDJLNED-LBPRGKRZSA-N 0 0 311.389 3.216 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(OC)CCCC1 ZINC000562355186 332583198 /nfs/dbraw/zinc/58/31/98/332583198.db2.gz ISZQZQSQCWQSMU-UHFFFAOYSA-N 0 0 318.373 3.069 10 30 DGEERN C=CCC1(NC(=O)Cn2cnc3c2CCCC3)CCCCC1 ZINC000562629940 332611292 /nfs/dbraw/zinc/61/12/92/332611292.db2.gz AFYLZGKDLLKGRL-UHFFFAOYSA-N 0 0 301.434 3.157 10 30 DGEERN C=CCCCCCNC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000569986894 332699268 /nfs/dbraw/zinc/69/92/68/332699268.db2.gz JZSRMQZQEFWLMF-UHFFFAOYSA-N 0 0 311.385 3.325 10 30 DGEERN CCc1cc(C(=O)NC2(C#N)CCC2)c2c(n1)onc2C(C)C ZINC000580201711 333002461 /nfs/dbraw/zinc/00/24/61/333002461.db2.gz AFYDKEZTMWRVOL-UHFFFAOYSA-N 0 0 312.373 3.085 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000185192910 335118344 /nfs/dbraw/zinc/11/83/44/335118344.db2.gz ULOIELZLJYDUIU-CYBMUJFWSA-N 0 0 312.417 3.103 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000538285397 333178639 /nfs/dbraw/zinc/17/86/39/333178639.db2.gz CUXZHNPJJKCCQZ-ZDUSSCGKSA-N 0 0 317.389 3.407 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000563884551 335123634 /nfs/dbraw/zinc/12/36/34/335123634.db2.gz UQWQQYDBCQBHAP-OKZBNKHCSA-N 0 0 314.429 3.336 10 30 DGEERN C=C(Cl)CNC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000364056350 333228864 /nfs/dbraw/zinc/22/88/64/333228864.db2.gz ONPVNBMJOVZXQC-GFCCVEGCSA-N 0 0 318.808 3.293 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188667378 333385082 /nfs/dbraw/zinc/38/50/82/333385082.db2.gz QZMUASJSQILCIF-CYBMUJFWSA-N 0 0 308.447 3.403 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000337568896 333453303 /nfs/dbraw/zinc/45/33/03/333453303.db2.gz XYMCSXFMCMMGFX-ZDUSSCGKSA-N 0 0 312.369 3.155 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000296459246 335142342 /nfs/dbraw/zinc/14/23/42/335142342.db2.gz KYGXESGUMQCOAC-IAGOWNOFSA-N 0 0 314.429 3.061 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160708038 333480392 /nfs/dbraw/zinc/48/03/92/333480392.db2.gz JCRMGVSIRBVSEL-UHFFFAOYSA-N 0 0 323.396 3.112 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)OCc1noc(-c2ccc(OC)cc2)n1 ZINC000185704647 335148753 /nfs/dbraw/zinc/14/87/53/335148753.db2.gz OIHJXZLRCNZKMX-GFCCVEGCSA-N 0 0 316.357 3.391 10 30 DGEERN C=CCCCCCNC(=O)NCCc1nn(C)c2ccccc12 ZINC000563376652 333596042 /nfs/dbraw/zinc/59/60/42/333596042.db2.gz KESARXBHRKBMAX-UHFFFAOYSA-N 0 0 314.433 3.161 10 30 DGEERN CCOc1c(F)cccc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000152179362 333638453 /nfs/dbraw/zinc/63/84/53/333638453.db2.gz KKQWBHTVRNVWPB-SJKOYZFVSA-N 0 0 304.365 3.427 10 30 DGEERN C=CCCOCCNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000534571315 334286925 /nfs/dbraw/zinc/28/69/25/334286925.db2.gz LPKXXIMHXWZNHH-UHFFFAOYSA-N 0 0 316.426 3.441 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000534596328 334295517 /nfs/dbraw/zinc/29/55/17/334295517.db2.gz UZNIRGGKVBLEJG-SFHVURJKSA-N 0 0 317.408 3.484 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[C@H](CO)C2)c1 ZINC000416792906 334679836 /nfs/dbraw/zinc/67/98/36/334679836.db2.gz MOZXOCVWXXWWOA-LSDHHAIUSA-N 0 0 318.417 3.314 10 30 DGEERN C=CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1nc(C(=O)OCC)cs1 ZINC000345148287 335301468 /nfs/dbraw/zinc/30/14/68/335301468.db2.gz VYFAXCYGMLFBJX-VXGBXAGGSA-N 0 0 322.430 3.275 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000519824273 335898507 /nfs/dbraw/zinc/89/85/07/335898507.db2.gz UHWJRXUONSTVRN-QOKNQOGYSA-N 0 0 324.424 3.121 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000445972943 338516486 /nfs/dbraw/zinc/51/64/86/338516486.db2.gz ZSSVUTXPNRSLCO-MBNYWOFBSA-N 0 0 307.356 3.405 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000182581238 336272763 /nfs/dbraw/zinc/27/27/63/336272763.db2.gz DNAUUURXCCQDSK-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCc1cc(CNC(=O)N2[C@H](C)C[C@@H]2C)cc(OC)c1OC ZINC000526843714 336273182 /nfs/dbraw/zinc/27/31/82/336273182.db2.gz BRINFUSHFRFXIA-BETUJISGSA-N 0 0 318.417 3.125 10 30 DGEERN C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)s2)C1 ZINC000302182168 336352807 /nfs/dbraw/zinc/35/28/07/336352807.db2.gz SERIYNBOUFMVOK-CYBMUJFWSA-N 0 0 319.405 3.049 10 30 DGEERN Cc1cccc(CSCC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000356974439 336568101 /nfs/dbraw/zinc/56/81/01/336568101.db2.gz MUGHACKGRAXGTG-UHFFFAOYSA-N 0 0 302.443 3.381 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000582828899 337206378 /nfs/dbraw/zinc/20/63/78/337206378.db2.gz ALSIOVYZFGADBP-NVXWUHKLSA-N 0 0 315.417 3.452 10 30 DGEERN C=CCCCCCNC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000583212759 337273275 /nfs/dbraw/zinc/27/32/75/337273275.db2.gz SKTLSRWYPRJUMP-MRXNPFEDSA-N 0 0 306.450 3.333 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H]2CCOc3c(C)cccc32)CC1 ZINC000191885190 337300714 /nfs/dbraw/zinc/30/07/14/337300714.db2.gz BPYOSWQMINZIQH-MRXNPFEDSA-N 0 0 300.402 3.426 10 30 DGEERN C=CCC(C)(C)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000583874321 337366511 /nfs/dbraw/zinc/36/65/11/337366511.db2.gz PPFYIZJQORBTAZ-UONOGXRCSA-N 0 0 309.450 3.415 10 30 DGEERN NC(=S)N/N=C/c1ccc(Oc2ccccc2Cl)cc1 ZINC000584605046 337371390 /nfs/dbraw/zinc/37/13/90/337371390.db2.gz BIMDGNRGKYZAJD-RQZCQDPDSA-N 0 0 305.790 3.299 10 30 DGEERN Fc1ccc(C#Cc2ccc(-n3ccc4ccncc43)nc2)cn1 ZINC000584620143 337372061 /nfs/dbraw/zinc/37/20/61/337372061.db2.gz PSOBJBLOKLYTPR-UHFFFAOYSA-N 0 0 314.323 3.354 10 30 DGEERN C[Si](C)(C)CCOCn1cc(Br)cc1C#N ZINC000584619641 337374335 /nfs/dbraw/zinc/37/43/35/337374335.db2.gz JRYIALVTXDEDFQ-UHFFFAOYSA-N 0 0 301.260 3.435 10 30 DGEERN C#Cc1ccc2c(c1)[C@H](Nc1ncc3c(n1)CCCC3=O)CC2 ZINC000584637334 337379451 /nfs/dbraw/zinc/37/94/51/337379451.db2.gz XZILKBOWRXWFQG-QGZVFWFLSA-N 0 0 303.365 3.076 10 30 DGEERN C=CCCCCCNC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000571697880 337571652 /nfs/dbraw/zinc/57/16/52/337571652.db2.gz MMYJPDKLDMLMIA-UHFFFAOYSA-N 0 0 324.446 3.266 10 30 DGEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161677517 337594695 /nfs/dbraw/zinc/59/46/95/337594695.db2.gz GNQTWAOZTPTYQO-ZDUSSCGKSA-N 0 0 324.302 3.302 10 30 DGEERN C=CCN(C)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000161822917 337597795 /nfs/dbraw/zinc/59/77/95/337597795.db2.gz XSSNAIGOCGESAO-UHFFFAOYSA-N 0 0 300.406 3.394 10 30 DGEERN CC(C)(C(=O)N[C@@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000161870216 337598230 /nfs/dbraw/zinc/59/82/30/337598230.db2.gz CZPDRESZVKRQDQ-ZDUSSCGKSA-N 0 0 310.319 3.401 10 30 DGEERN N#C[C@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C1CC1 ZINC000161861986 337598237 /nfs/dbraw/zinc/59/82/37/337598237.db2.gz RITDYTIAVQRXRW-ZWKOTPCHSA-N 0 0 306.365 3.225 10 30 DGEERN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC000161880617 337598358 /nfs/dbraw/zinc/59/83/58/337598358.db2.gz YSUQZZLGIWUFMJ-INIZCTEOSA-N 0 0 322.412 3.202 10 30 DGEERN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H](C#N)C1CC1 ZINC000161880707 337598420 /nfs/dbraw/zinc/59/84/20/337598420.db2.gz YSUQZZLGIWUFMJ-MRXNPFEDSA-N 0 0 322.412 3.202 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000278330388 337667542 /nfs/dbraw/zinc/66/75/42/337667542.db2.gz KUOYVUQUXFOEGN-TZMCWYRMSA-N 0 0 319.382 3.428 10 30 DGEERN Cc1oc(Br)cc1C(=O)N1CCC(C)(C#N)CC1 ZINC000396727723 337732162 /nfs/dbraw/zinc/73/21/62/337732162.db2.gz BMIWQTAHOWYJEJ-UHFFFAOYSA-N 0 0 311.179 3.116 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000527986759 337777911 /nfs/dbraw/zinc/77/79/11/337777911.db2.gz XPHNGSSUKVWBPJ-IXDOHACOSA-N 0 0 302.418 3.335 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000528025319 337784448 /nfs/dbraw/zinc/78/44/48/337784448.db2.gz KEYKMNQNBCTWKM-MAZHCROVSA-N 0 0 320.820 3.218 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@H]2C[C@@]2(C)Br)c1 ZINC000528162976 337791053 /nfs/dbraw/zinc/79/10/53/337791053.db2.gz CFXSDVVUFKYUJN-TZMCWYRMSA-N 0 0 310.191 3.363 10 30 DGEERN C=CCC(C)(C)c1noc(/C=C\c2ccc(S(C)(=O)=O)o2)n1 ZINC000528202814 337793576 /nfs/dbraw/zinc/79/35/76/337793576.db2.gz OIOFPENBNLWKBN-VURMDHGXSA-N 0 0 322.386 3.090 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000105309833 337805486 /nfs/dbraw/zinc/80/54/86/337805486.db2.gz NVMNDJDNYAMYED-XJKSGUPXSA-N 0 0 317.389 3.481 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1C ZINC000105309826 337805522 /nfs/dbraw/zinc/80/55/22/337805522.db2.gz NVMNDJDNYAMYED-CJNGLKHVSA-N 0 0 317.389 3.481 10 30 DGEERN N#C[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C1CC1 ZINC000108838454 337841657 /nfs/dbraw/zinc/84/16/57/337841657.db2.gz YZMHUAPAINVNIW-SFHVURJKSA-N 0 0 312.413 3.359 10 30 DGEERN N#C[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000119666936 337863807 /nfs/dbraw/zinc/86/38/07/337863807.db2.gz BINCBMHCFKOABF-LJQANCHMSA-N 0 0 319.408 3.112 10 30 DGEERN CCN(CC#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000120137733 337870498 /nfs/dbraw/zinc/87/04/98/337870498.db2.gz SLOZIKYMXVTYPZ-NSHDSACASA-N 0 0 309.207 3.315 10 30 DGEERN CC#CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000498602296 340021017 /nfs/dbraw/zinc/02/10/17/340021017.db2.gz KTDQSNZDJPLBJC-JTQLQIEISA-N 0 0 300.185 3.290 10 30 DGEERN C=C(C)CN(CC)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000516566938 340027397 /nfs/dbraw/zinc/02/73/97/340027397.db2.gz PHEFULSXRWGNQW-CYBMUJFWSA-N 0 0 306.431 3.147 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](C(=O)OC)[C@H]1C ZINC000505001062 340158389 /nfs/dbraw/zinc/15/83/89/340158389.db2.gz NXQJQHIXDNUPKS-HIFRSBDPSA-N 0 0 316.401 3.221 10 30 DGEERN C=CCc1ccc(OCC(=O)N[C@H](C)C2CCCC2)c(OC)c1 ZINC000505126228 340162141 /nfs/dbraw/zinc/16/21/41/340162141.db2.gz WSLXCQDTQJUQHG-CQSZACIVSA-N 0 0 317.429 3.497 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C1CC1 ZINC000505757541 340176789 /nfs/dbraw/zinc/17/67/89/340176789.db2.gz SPBCSQRDFOJBAG-AWEZNQCLSA-N 0 0 304.438 3.350 10 30 DGEERN C=CCCCNC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000507456628 340220492 /nfs/dbraw/zinc/22/04/92/340220492.db2.gz RAOVSRSNCJMHDN-KRWDZBQOSA-N 0 0 322.836 3.307 10 30 DGEERN C=CCn1c(CCOc2ccccc2)nnc1N(C)CC(C)C ZINC000508472348 340244476 /nfs/dbraw/zinc/24/44/76/340244476.db2.gz JURBEYRUKBZVAU-UHFFFAOYSA-N 0 0 314.433 3.178 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC000508496168 340244896 /nfs/dbraw/zinc/24/48/96/340244896.db2.gz CNCCLPVXZIKKKM-HNNXBMFYSA-N 0 0 320.481 3.304 10 30 DGEERN C=C(C)[C@@H](Cc1nc(-c2cccnc2OC(C)C)no1)OCC ZINC000508607583 340247920 /nfs/dbraw/zinc/24/79/20/340247920.db2.gz AQPPIHUYDXXXQQ-CQSZACIVSA-N 0 0 317.389 3.443 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)C[C@H](C)C#N ZINC000508957104 340256164 /nfs/dbraw/zinc/25/61/64/340256164.db2.gz WPOJOPFKSSBRHO-GFCCVEGCSA-N 0 0 313.380 3.175 10 30 DGEERN C=CCN1CC[C@H](Nc2cc(Cc3ccccn3)ccc2C)C1=O ZINC000509509623 340271740 /nfs/dbraw/zinc/27/17/40/340271740.db2.gz UPNZGICNVVXOAZ-SFHVURJKSA-N 0 0 321.424 3.180 10 30 DGEERN C=CC1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000173301266 340361830 /nfs/dbraw/zinc/36/18/30/340361830.db2.gz ZDMMRUVEMLDOQO-GJZGRUSLSA-N 0 0 322.449 3.104 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000513695087 340419962 /nfs/dbraw/zinc/41/99/62/340419962.db2.gz YHYNWVOEOFPQMR-QWHCGFSZSA-N 0 0 307.356 3.405 10 30 DGEERN CC[C@](C)(C#N)NC(=O)c1ccc(Br)c(C)c1F ZINC000516906623 340458419 /nfs/dbraw/zinc/45/84/19/340458419.db2.gz DBHGMNBCPAPVDL-CYBMUJFWSA-N 0 0 313.170 3.319 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000517026749 340461931 /nfs/dbraw/zinc/46/19/31/340461931.db2.gz IHNVRDDGPHOBSG-WFASDCNBSA-N 0 0 320.820 3.219 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]1C(C)C ZINC000185164115 340498453 /nfs/dbraw/zinc/49/84/53/340498453.db2.gz BLBJZOLOCKQFIE-HOTGVXAUSA-N 0 0 302.374 3.402 10 30 DGEERN CC(C)[C@H]1C[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000185616397 340503507 /nfs/dbraw/zinc/50/35/07/340503507.db2.gz BXOZHUXGVMYYFT-CABCVRRESA-N 0 0 309.331 3.465 10 30 DGEERN CC#CCCCC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000185709770 340504450 /nfs/dbraw/zinc/50/44/50/340504450.db2.gz CPSFZVKSRMXODN-UHFFFAOYSA-N 0 0 315.413 3.452 10 30 DGEERN C=CCCOCCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000189228355 340530769 /nfs/dbraw/zinc/53/07/69/340530769.db2.gz NZIFQUGPBKNOJD-UHFFFAOYSA-N 0 0 313.401 3.016 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCc2cc(OC)ccc21 ZINC000194835108 340596482 /nfs/dbraw/zinc/59/64/82/340596482.db2.gz IVJNFLLBXSHVMG-UHFFFAOYSA-N 0 0 309.365 3.463 10 30 DGEERN Cc1nc(-c2ccc(CNC(=O)C3(C#N)CCC3)cc2)cs1 ZINC000522937121 340610656 /nfs/dbraw/zinc/61/06/56/340610656.db2.gz XSWFZSFVAAFSMH-UHFFFAOYSA-N 0 0 311.410 3.429 10 30 DGEERN N#CCCCOc1cccnc1NC(=O)NCCCC1CC1 ZINC000525969157 340704192 /nfs/dbraw/zinc/70/41/92/340704192.db2.gz NEFNXJGWLKJHRT-UHFFFAOYSA-N 0 0 302.378 3.076 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000538604412 340834805 /nfs/dbraw/zinc/83/48/05/340834805.db2.gz VULFQOQSLNUWSR-KRWDZBQOSA-N 0 0 316.445 3.125 10 30 DGEERN C=CCCCN(C)C(=O)NC1CC(OCc2ccccc2)C1 ZINC000545210049 341114114 /nfs/dbraw/zinc/11/41/14/341114114.db2.gz ZFAGSWHPKOKVTQ-UHFFFAOYSA-N 0 0 302.418 3.342 10 30 DGEERN Cc1cccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000131999323 341114814 /nfs/dbraw/zinc/11/48/14/341114814.db2.gz MQXFGIWCCLKPHG-KRWDZBQOSA-N 0 0 308.385 3.234 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2c(C)onc2CC)cc1OC ZINC000133092546 341154374 /nfs/dbraw/zinc/15/43/74/341154374.db2.gz NATRWHHKIKXBOX-UHFFFAOYSA-N 0 0 316.357 3.371 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000133705474 341182500 /nfs/dbraw/zinc/18/25/00/341182500.db2.gz JABWAQBXRLQTQC-QGZVFWFLSA-N 0 0 312.413 3.067 10 30 DGEERN C=C(C)[C@@H](NC(=O)NCC[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000547483462 341216454 /nfs/dbraw/zinc/21/64/54/341216454.db2.gz MYBJSHOAWDWSTF-BLLLJJGKSA-N 0 0 324.371 3.308 10 30 DGEERN C=CCN(CC(=O)NC1CCCCC1)Cc1ccc(OC)cc1 ZINC000077384362 341224159 /nfs/dbraw/zinc/22/41/59/341224159.db2.gz PBPYOVBWSSOZAZ-UHFFFAOYSA-N 0 0 316.445 3.132 10 30 DGEERN O=C(NC1CC1)c1ccccc1NCC#Cc1ccc(F)cc1 ZINC000135546045 341241590 /nfs/dbraw/zinc/24/15/90/341241590.db2.gz HIEGDLFCXAFJTL-UHFFFAOYSA-N 0 0 308.356 3.182 10 30 DGEERN CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 ZINC000549091557 341285870 /nfs/dbraw/zinc/28/58/70/341285870.db2.gz HFMYVIZSLFJKGR-UHFFFAOYSA-N 0 0 315.808 3.358 10 30 DGEERN C=CCCCN(C)c1nnc(COCC)n1Cc1ccccc1 ZINC000549152426 341287380 /nfs/dbraw/zinc/28/73/80/341287380.db2.gz LSVGBNNAPHIIQK-UHFFFAOYSA-N 0 0 314.433 3.265 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000549240341 341289456 /nfs/dbraw/zinc/28/94/56/341289456.db2.gz ZPWYZBGJFZJMCB-HNNXBMFYSA-N 0 0 306.381 3.429 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[C@@](C)(OC)C1 ZINC000549250099 341289662 /nfs/dbraw/zinc/28/96/62/341289662.db2.gz RTHVJHAATCXMAJ-GOSISDBHSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCOc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000081450649 341291233 /nfs/dbraw/zinc/29/12/33/341291233.db2.gz QBNKADWGYQNMRI-ZDUSSCGKSA-N 0 0 319.401 3.054 10 30 DGEERN C=CCC(C)(C)c1noc(CSCC(=O)OC(C)(C)C)n1 ZINC000551494331 341342854 /nfs/dbraw/zinc/34/28/54/341342854.db2.gz SKJCWYLZTFTXFN-UHFFFAOYSA-N 0 0 312.435 3.498 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@](CC)(C(=O)OC)c1ccccc1 ZINC000553507352 341430755 /nfs/dbraw/zinc/43/07/55/341430755.db2.gz PEEPVSFHLXDGIN-KSSFIOAISA-N 0 0 303.402 3.183 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC(CC#N)CC1 ZINC000554627095 341459943 /nfs/dbraw/zinc/45/99/43/341459943.db2.gz KIIRRUPHCAUHHB-UHFFFAOYSA-N 0 0 301.438 3.183 10 30 DGEERN C=C(C)C[C@H](C)c1nc(CC(=O)NCc2cccc(C)c2)no1 ZINC000554831813 341465606 /nfs/dbraw/zinc/46/56/06/341465606.db2.gz FABCVBXPRZSDGD-AWEZNQCLSA-N 0 0 313.401 3.307 10 30 DGEERN N#CC[C@@H](CC(=O)NCCOCC1CCC1)c1ccccc1 ZINC000565573712 341531594 /nfs/dbraw/zinc/53/15/94/341531594.db2.gz PUJLRZHRPYJISG-KRWDZBQOSA-N 0 0 300.402 3.007 10 30 DGEERN CCOC(=O)c1c(C)csc1NC(=O)N1CCC(C#N)CC1 ZINC000153454934 341540986 /nfs/dbraw/zinc/54/09/86/341540986.db2.gz YQRPFLVRALYFTB-UHFFFAOYSA-N 0 0 321.402 3.001 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000566969325 341572996 /nfs/dbraw/zinc/57/29/96/341572996.db2.gz FIQRTHMHVOZPHU-ZFWWWQNUSA-N 0 0 316.401 3.113 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1csnn1 ZINC000567220041 341589085 /nfs/dbraw/zinc/58/90/85/341589085.db2.gz LHSJZWZBGOYMRG-LLVKDONJSA-N 0 0 320.393 3.136 10 30 DGEERN C=CCC1(C(=O)Nc2ncc(C(=O)OC)cc2Cl)CCC1 ZINC000568174310 341656510 /nfs/dbraw/zinc/65/65/10/341656510.db2.gz UWWAQEUOTJVQKA-UHFFFAOYSA-N 0 0 308.765 3.207 10 30 DGEERN C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000573375319 341726482 /nfs/dbraw/zinc/72/64/82/341726482.db2.gz BVWDERXROYNYTB-NJZAAPMLSA-N 0 0 314.212 3.293 10 30 DGEERN C=CCCCCCNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000573575325 341732358 /nfs/dbraw/zinc/73/23/58/341732358.db2.gz FMQKKPQEUJVRFQ-CQSZACIVSA-N 0 0 310.829 3.239 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC[C@@H]1C ZINC000573606280 341733352 /nfs/dbraw/zinc/73/33/52/341733352.db2.gz NJYXIKDXDNALNE-NSHDSACASA-N 0 0 303.435 3.275 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)NCC1CCC(C#N)CC1 ZINC000575462452 341799044 /nfs/dbraw/zinc/79/90/44/341799044.db2.gz ODIRPEXLFZAILF-UHFFFAOYSA-N 0 0 312.373 3.018 10 30 DGEERN CC1(CNC(=O)Nc2ccccc2C#Cc2ccccc2)COC1 ZINC000175045255 341833982 /nfs/dbraw/zinc/83/39/82/341833982.db2.gz SYRGCGYCXXREMZ-UHFFFAOYSA-N 0 0 320.392 3.244 10 30 DGEERN C=CCCCCCNC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000577290519 341902811 /nfs/dbraw/zinc/90/28/11/341902811.db2.gz PMRVGEZYLJRICW-UHFFFAOYSA-N 0 0 321.387 3.059 10 30 DGEERN C=CCCCN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCOC1 ZINC000577512614 341914708 /nfs/dbraw/zinc/91/47/08/341914708.db2.gz GPIJQOUKNXQUNV-AWEZNQCLSA-N 0 0 306.454 3.015 10 30 DGEERN C=CCCCCCNC(=O)c1ccn(-c2ccc(OC)cc2)n1 ZINC000584239626 500574074 /nfs/dbraw/zinc/57/40/74/500574074.db2.gz HFTWJGPKCMBNGY-UHFFFAOYSA-N 0 0 313.401 3.357 10 30 DGEERN N#CC1(C(=O)N2CCO[C@@H](C3CCCCC3)C2)CCCCC1 ZINC000329460227 501028366 /nfs/dbraw/zinc/02/83/66/501028366.db2.gz RUWHPXRZRMDEAG-MRXNPFEDSA-N 0 0 304.434 3.268 10 30 DGEERN Cc1c(NC(=O)NCC2CCC(C#N)CC2)cnn1CC(C)C ZINC000441740601 533907687 /nfs/dbraw/zinc/90/76/87/533907687.db2.gz LVMIBYXYMLDYEI-UHFFFAOYSA-N 0 0 317.437 3.299 10 30 DGEERN COc1ccccc1CCN(C)c1cc(C(C)=O)ccc1C#N ZINC000302097158 534035300 /nfs/dbraw/zinc/03/53/00/534035300.db2.gz JQSDREYMXZWFMP-UHFFFAOYSA-N 0 0 308.381 3.448 10 30 DGEERN C[C@@H]1Cc2ccccc2CN1C(=O)NCC1CCC(C#N)CC1 ZINC000441000895 534071534 /nfs/dbraw/zinc/07/15/34/534071534.db2.gz RGTLWJIYEXDYQW-QQFBHYJXSA-N 0 0 311.429 3.473 10 30 DGEERN COc1ccccc1N1CC[C@H](CNc2ccc(C)c(C#N)n2)C1 ZINC000302605132 534150531 /nfs/dbraw/zinc/15/05/31/534150531.db2.gz CYKIYCABGSQIKM-OAHLLOKOSA-N 0 0 322.412 3.209 10 30 DGEERN COC(=O)c1ccc(F)c(CNc2ccc(F)cc2C#N)c1 ZINC000302211918 534170487 /nfs/dbraw/zinc/17/04/87/534170487.db2.gz YUUGJFUJMXWFDL-UHFFFAOYSA-N 0 0 302.280 3.235 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000469496992 534358840 /nfs/dbraw/zinc/35/88/40/534358840.db2.gz CBDYQZIEDOCZFA-DJSGYFEHSA-N 0 0 309.356 3.166 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000485732511 534359890 /nfs/dbraw/zinc/35/98/90/534359890.db2.gz MKRKIAJZWFHAGP-KBAYOESNSA-N 0 0 301.430 3.332 10 30 DGEERN Cc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000329619767 534368581 /nfs/dbraw/zinc/36/85/81/534368581.db2.gz QZAOSRFSGIZKEV-CHWSQXEVSA-N 0 0 314.341 3.454 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455640745 534374449 /nfs/dbraw/zinc/37/44/49/534374449.db2.gz QZVAQSNWNLAUDN-DTWKUNHWSA-N 0 0 307.341 3.400 10 30 DGEERN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181577308 534380261 /nfs/dbraw/zinc/38/02/61/534380261.db2.gz RWDYTHZVPUXETG-LBPRGKRZSA-N 0 0 323.396 3.380 10 30 DGEERN C=C(CC)CNC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000455360193 534414234 /nfs/dbraw/zinc/41/42/34/534414234.db2.gz IPBBQDFSEZODBA-UHFFFAOYSA-N 0 0 308.378 3.109 10 30 DGEERN C=CCn1c(N(CC)CC2CCC2)nnc1[C@]1(C)CCCO1 ZINC000453439489 534443161 /nfs/dbraw/zinc/44/31/61/534443161.db2.gz LNGYHCDESOAEEQ-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCn1c(SCc2cc(C)ncn2)nnc1-c1ccco1 ZINC000488237378 534444288 /nfs/dbraw/zinc/44/42/88/534444288.db2.gz UVCKBPBUDXGZHM-UHFFFAOYSA-N 0 0 313.386 3.115 10 30 DGEERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccn(CCC#N)n1)[C@H](C)C2 ZINC000184031571 534447596 /nfs/dbraw/zinc/44/75/96/534447596.db2.gz BXQCOKQVDUSBNA-CXAGYDPISA-N 0 0 323.400 3.160 10 30 DGEERN Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)cc(C2CC2)n1 ZINC000160326256 534481884 /nfs/dbraw/zinc/48/18/84/534481884.db2.gz XDGAABHFAQZVAZ-UHFFFAOYSA-N 0 0 314.295 3.065 10 30 DGEERN C=CC(C)(C)CNC(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000455378697 534516072 /nfs/dbraw/zinc/51/60/72/534516072.db2.gz YNYCWOBNBBYFIW-UHFFFAOYSA-N 0 0 322.405 3.355 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455634203 534550542 /nfs/dbraw/zinc/55/05/42/534550542.db2.gz HJMGGLLWWKOOQN-ZJUUUORDSA-N 0 0 319.352 3.497 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000455421066 534567824 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/nfs/dbraw/zinc/73/23/26/526732326.db2.gz XHQVDRCMEGQKFZ-UHFFFAOYSA-N 0 0 308.784 3.334 10 30 DGEERN C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)OCC ZINC000339421956 526750617 /nfs/dbraw/zinc/75/06/17/526750617.db2.gz PKIBPZWULVMJOO-SUMWQHHRSA-N 0 0 321.417 3.252 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1cc(C)nc(C)n1)c1ccc(F)c(F)c1 ZINC000355677225 526756784 /nfs/dbraw/zinc/75/67/84/526756784.db2.gz WKZIGXHZAXGEBC-MRXNPFEDSA-N 0 0 317.339 3.419 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000346052422 526762836 /nfs/dbraw/zinc/76/28/36/526762836.db2.gz DCWKHPUAVCXLLF-XHSDSOJGSA-N 0 0 323.820 3.125 10 30 DGEERN C=C(C)[C@H](CC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)OCC ZINC000346497451 526813443 /nfs/dbraw/zinc/81/34/43/526813443.db2.gz PQRDFZCXPHFYLC-KURKYZTESA-N 0 0 317.429 3.394 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cc(-n2cccn2)ccc1C)OCC ZINC000355614083 526816046 /nfs/dbraw/zinc/81/60/46/526816046.db2.gz ZJYJJBORPAVCFT-KRWDZBQOSA-N 0 0 313.401 3.491 10 30 DGEERN C=C(C)[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185465446 526817956 /nfs/dbraw/zinc/81/79/56/526817956.db2.gz WUOZYRXNDUXVIB-CJNGLKHVSA-N 0 0 324.371 3.402 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000439265099 526839100 /nfs/dbraw/zinc/83/91/00/526839100.db2.gz JNXOAKUMPMHXBR-DLBZAZTESA-N 0 0 315.413 3.140 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000438067944 526845128 /nfs/dbraw/zinc/84/51/28/526845128.db2.gz QYLBXKQCTWEUFD-GOEBONIOSA-N 0 0 322.836 3.463 10 30 DGEERN C=CCOc1ccc(CC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000448798293 526861340 /nfs/dbraw/zinc/86/13/40/526861340.db2.gz SHLSIZGJROHJNP-MOPGFXCFSA-N 0 0 307.393 3.466 10 30 DGEERN C=CCOc1ccc(OCc2noc(C)c2C(=O)OCC)cc1 ZINC000351912043 526894559 /nfs/dbraw/zinc/89/45/59/526894559.db2.gz CWMCBXVLFCKUAK-UHFFFAOYSA-N 0 0 317.341 3.304 10 30 DGEERN C=C1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000342088713 526895331 /nfs/dbraw/zinc/89/53/31/526895331.db2.gz FEYLFXJMFUBOTL-UHFFFAOYSA-N 0 0 323.318 3.234 10 30 DGEERN CC(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2C)ccc1C ZINC000161849329 526924625 /nfs/dbraw/zinc/92/46/25/526924625.db2.gz KTAXGHZSTCOKRN-UHFFFAOYSA-N 0 0 307.353 3.386 10 30 DGEERN C=CCOc1ccccc1CN(CCOC)Cc1ccccn1 ZINC000349061688 526930310 /nfs/dbraw/zinc/93/03/10/526930310.db2.gz JGHFNOIZWVOBFQ-UHFFFAOYSA-N 0 0 312.413 3.295 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1nc(CC)oc1C ZINC000352710718 526948440 /nfs/dbraw/zinc/94/84/40/526948440.db2.gz KWABIEWEAYNUAH-UHFFFAOYSA-N 0 0 300.358 3.040 10 30 DGEERN C=CC1CCN(C(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000434310418 526968953 /nfs/dbraw/zinc/96/89/53/526968953.db2.gz ZACQYDKGCJUAHQ-HNNXBMFYSA-N 0 0 324.490 3.039 10 30 DGEERN C=CCOc1cccnc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000342083570 526969527 /nfs/dbraw/zinc/96/95/27/526969527.db2.gz HRVRWXPHLNGSRC-UHFFFAOYSA-N 0 0 309.325 3.348 10 30 DGEERN C=CCSCCNC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000176026577 526986619 /nfs/dbraw/zinc/98/66/19/526986619.db2.gz UOZUVGJRHDQHDZ-OAHLLOKOSA-N 0 0 312.479 3.039 10 30 DGEERN C=CCC(C)(C)CNC(=O)C(=O)c1ccc(Br)cc1 ZINC000352546110 527000482 /nfs/dbraw/zinc/00/04/82/527000482.db2.gz PNUZSFNOYQLOSQ-UHFFFAOYSA-N 0 0 324.218 3.350 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000432561343 527010447 /nfs/dbraw/zinc/01/04/47/527010447.db2.gz WZVKFMOPZFUARJ-CQSZACIVSA-N 0 0 306.381 3.031 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1ncsc1Br ZINC000297660220 527017282 /nfs/dbraw/zinc/01/72/82/527017282.db2.gz CMCHPUAWMGNPSO-UHFFFAOYSA-N 0 0 303.225 3.238 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000131329649 527023726 /nfs/dbraw/zinc/02/37/26/527023726.db2.gz CDRNHIHFGVOALT-INIZCTEOSA-N 0 0 301.434 3.469 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000121367014 527029084 /nfs/dbraw/zinc/02/90/84/527029084.db2.gz GUXCMWZKYFDKOD-AWEZNQCLSA-N 0 0 310.401 3.213 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000356654210 527031059 /nfs/dbraw/zinc/03/10/59/527031059.db2.gz QCUJLLUKXQYBPD-JTQLQIEISA-N 0 0 324.222 3.185 10 30 DGEERN C=CCC1(C(=O)N(C)CCOCc2ccccc2)CCOCC1 ZINC000424716105 527039433 /nfs/dbraw/zinc/03/94/33/527039433.db2.gz FFYHXYBUCDBZBO-UHFFFAOYSA-N 0 0 317.429 3.035 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](OC)c2ccc(F)cc2)CCOCC1 ZINC000424709335 527054006 /nfs/dbraw/zinc/05/40/06/527054006.db2.gz OUVABQUYEJARCA-MRXNPFEDSA-N 0 0 321.392 3.002 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CCC1 ZINC000189281971 527058887 /nfs/dbraw/zinc/05/88/87/527058887.db2.gz ITSPBDLZJNLXPC-ZDUSSCGKSA-N 0 0 319.836 3.176 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CCC1 ZINC000447677184 527060142 /nfs/dbraw/zinc/06/01/42/527060142.db2.gz SQXYFCFABINKLB-UHFFFAOYSA-N 0 0 316.401 3.258 10 30 DGEERN C=CCCC(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000337381402 527076102 /nfs/dbraw/zinc/07/61/02/527076102.db2.gz JKSBNDCNGGAOIY-JGGQBBKZSA-N 0 0 315.413 3.347 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000359002337 527092951 /nfs/dbraw/zinc/09/29/51/527092951.db2.gz NXVBHZWZNUMGRG-STQMWFEESA-N 0 0 316.376 3.276 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(SC)c1 ZINC000417269652 527095130 /nfs/dbraw/zinc/09/51/30/527095130.db2.gz BTIRQRDSCHZHOZ-JTQLQIEISA-N 0 0 300.811 3.120 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000337045649 527099451 /nfs/dbraw/zinc/09/94/51/527099451.db2.gz FPKAPFAJQRIXOB-ZDUSSCGKSA-N 0 0 315.335 3.193 10 30 DGEERN C=CC[C@@H](CO)Nc1cncc(OCc2cccc(Cl)c2)n1 ZINC000182662626 527104141 /nfs/dbraw/zinc/10/41/41/527104141.db2.gz SGKAOEPGEBWXKT-AWEZNQCLSA-N 0 0 319.792 3.058 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cnc(CC)o1 ZINC000413605805 527110238 /nfs/dbraw/zinc/11/02/38/527110238.db2.gz KKGWSRFQOQZQBV-HNNXBMFYSA-N 0 0 313.401 3.224 10 30 DGEERN C=CC[C@H](C)NC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000176865972 527127020 /nfs/dbraw/zinc/12/70/20/527127020.db2.gz KLUOAQWDUALMJL-NWDGAFQWSA-N 0 0 311.451 3.347 10 30 DGEERN C=CCCCCNC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000351683305 527158214 /nfs/dbraw/zinc/15/82/14/527158214.db2.gz CIXIXIDGXYLGJO-UHFFFAOYSA-N 0 0 306.797 3.143 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCSC1 ZINC000288249737 527161474 /nfs/dbraw/zinc/16/14/74/527161474.db2.gz STHHXEKNDBDLFY-SJORKVTESA-N 0 0 316.470 3.063 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000337106445 527161759 /nfs/dbraw/zinc/16/17/59/527161759.db2.gz ZZVNPPJKTNJABK-LBPRGKRZSA-N 0 0 304.365 3.037 10 30 DGEERN C=CCCCCNC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000346552432 527167948 /nfs/dbraw/zinc/16/79/48/527167948.db2.gz UZNIKMAOZHMYCO-UHFFFAOYSA-N 0 0 320.343 3.291 10 30 DGEERN C=CCCCN(C)C(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000345253879 527181191 /nfs/dbraw/zinc/18/11/91/527181191.db2.gz HWEVIABSDYMGEH-OAHLLOKOSA-N 0 0 314.351 3.304 10 30 DGEERN C=CCCCN(C)C(=O)NCC1(c2cccc(OC)c2)CC1 ZINC000292039411 527183777 /nfs/dbraw/zinc/18/37/77/527183777.db2.gz QULYVJIBWOZGLL-UHFFFAOYSA-N 0 0 302.418 3.334 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(C(=O)N(C)CC)c1 ZINC000352964592 527187547 /nfs/dbraw/zinc/18/75/47/527187547.db2.gz ZHRYMZQTHJUMOX-UHFFFAOYSA-N 0 0 303.406 3.208 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000433212912 527187964 /nfs/dbraw/zinc/18/79/64/527187964.db2.gz MYNPYJWGUCSXRS-UHFFFAOYSA-N 0 0 318.421 3.282 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(COc2ccccc2F)on1 ZINC000185621427 527190411 /nfs/dbraw/zinc/19/04/11/527190411.db2.gz XGJVRYWGRTUZQW-UHFFFAOYSA-N 0 0 318.348 3.431 10 30 DGEERN C=CCCCN(C)c1nnc(-c2ccoc2)n1C[C@H]1CCCO1 ZINC000339019240 527195086 /nfs/dbraw/zinc/19/50/86/527195086.db2.gz BCRBUYUOZAIGKY-OAHLLOKOSA-N 0 0 316.405 3.120 10 30 DGEERN C=CCCCN(C)c1nnc(CC2CC2)n1C[C@@H]1CCCCO1 ZINC000339153967 527195469 /nfs/dbraw/zinc/19/54/69/527195469.db2.gz JFAOQZPMZALGPD-INIZCTEOSA-N 0 0 318.465 3.202 10 30 DGEERN C=CCCCN(C)c1nnc(COCc2ccccc2)n1CC ZINC000282652994 527195790 /nfs/dbraw/zinc/19/57/90/527195790.db2.gz AWUFDHQRSASGNI-UHFFFAOYSA-N 0 0 314.433 3.417 10 30 DGEERN C=CCCCN(C)c1nnc(COCC)n1Cc1cccs1 ZINC000339104379 527195939 /nfs/dbraw/zinc/19/59/39/527195939.db2.gz YBTXYODLEZLKAY-UHFFFAOYSA-N 0 0 320.462 3.327 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000413762576 527200316 /nfs/dbraw/zinc/20/03/16/527200316.db2.gz UYJBPHLZQZKVAC-BZZMCLGOSA-N 0 0 316.445 3.195 10 30 DGEERN CC(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cs1 ZINC000338691937 527202125 /nfs/dbraw/zinc/20/21/25/527202125.db2.gz QMPYWCGNKBEHAR-CYBMUJFWSA-N 0 0 302.330 3.084 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000185871433 527206837 /nfs/dbraw/zinc/20/68/37/527206837.db2.gz NHEJYBPYDAVSOK-CYBMUJFWSA-N 0 0 316.788 3.069 10 30 DGEERN C=CC[C@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000302667906 527211346 /nfs/dbraw/zinc/21/13/46/527211346.db2.gz JTBBYLGWZVJYQD-SECBINFHSA-N 0 0 315.167 3.015 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000413842979 527216013 /nfs/dbraw/zinc/21/60/13/527216013.db2.gz YYYIYIAFAVPHGZ-KBAYOESNSA-N 0 0 316.445 3.240 10 30 DGEERN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)C3CC3)o2)cc1 ZINC000349517345 527218597 /nfs/dbraw/zinc/21/85/97/527218597.db2.gz IYGRYXSVJZTRHF-OAHLLOKOSA-N 0 0 308.337 3.181 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000413832617 527219821 /nfs/dbraw/zinc/21/98/21/527219821.db2.gz JHWCICJXTZWRGE-KURKYZTESA-N 0 0 316.445 3.024 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)nc1 ZINC000412843033 527221826 /nfs/dbraw/zinc/22/18/26/527221826.db2.gz RQJPOBSBVKTSGX-QGZVFWFLSA-N 0 0 307.397 3.271 10 30 DGEERN C=CCCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 ZINC000448063726 527223526 /nfs/dbraw/zinc/22/35/26/527223526.db2.gz BRYQSGVJYVOLPC-UHFFFAOYSA-N 0 0 314.744 3.353 10 30 DGEERN C=CCCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000344534317 527229193 /nfs/dbraw/zinc/22/91/93/527229193.db2.gz DCQJTTVZTQATJB-UHFFFAOYSA-N 0 0 324.380 3.274 10 30 DGEERN CC(=O)c1ccc(C#N)cc1NC1CCN(c2ccccn2)CC1 ZINC000302040485 527230274 /nfs/dbraw/zinc/23/02/74/527230274.db2.gz HPICOFUMKNKDAE-UHFFFAOYSA-N 0 0 320.396 3.237 10 30 DGEERN C=CCc1ccc(OCc2nc(CC3CC3)no2)c(OC)c1 ZINC000355979815 527255496 /nfs/dbraw/zinc/25/54/96/527255496.db2.gz FRAAYJFVVHKTJF-UHFFFAOYSA-N 0 0 300.358 3.338 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000343730974 527266566 /nfs/dbraw/zinc/26/65/66/527266566.db2.gz HKVDONMXSGJZBW-CYBMUJFWSA-N 0 0 313.401 3.484 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC000337808046 527266612 /nfs/dbraw/zinc/26/66/12/527266612.db2.gz JCDVQDQNRMZMCO-RYUDHWBXSA-N 0 0 300.406 3.433 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1ccco1 ZINC000350741348 527270474 /nfs/dbraw/zinc/27/04/74/527270474.db2.gz NZQYARAFYUQIQR-CQSZACIVSA-N 0 0 309.373 3.394 10 30 DGEERN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccco1 ZINC000351119172 527275631 /nfs/dbraw/zinc/27/56/31/527275631.db2.gz TYXZZCWPYMYXMS-OAHLLOKOSA-N 0 0 321.384 3.461 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCCC[C@@H](SC)C1 ZINC000351158887 527280063 /nfs/dbraw/zinc/28/00/63/527280063.db2.gz CVQONWZJUSBPIC-CQSZACIVSA-N 0 0 318.446 3.446 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC000350729089 527280264 /nfs/dbraw/zinc/28/02/64/527280264.db2.gz IQSSWXRGQOUMPV-UHFFFAOYSA-N 0 0 324.306 3.423 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCc2cc(F)ccc2C1 ZINC000351117515 527281378 /nfs/dbraw/zinc/28/13/78/527281378.db2.gz QPGPONGFGVSYBS-UHFFFAOYSA-N 0 0 324.359 3.426 10 30 DGEERN CC(C)(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000180888937 527283602 /nfs/dbraw/zinc/28/36/02/527283602.db2.gz YTVWETGBBSHPKW-UHFFFAOYSA-N 0 0 311.410 3.363 10 30 DGEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193259994 527283886 /nfs/dbraw/zinc/28/38/86/527283886.db2.gz RPIHKELFZJLXTL-NSHDSACASA-N 0 0 309.435 3.066 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000351075114 527289858 /nfs/dbraw/zinc/28/98/58/527289858.db2.gz NWBWOKAEBYUNCW-HNNXBMFYSA-N 0 0 306.454 3.231 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCC(OCC(C)C)CC1 ZINC000337813675 527290032 /nfs/dbraw/zinc/29/00/32/527290032.db2.gz MPDWQIIMENPFJW-UHFFFAOYSA-N 0 0 306.454 3.229 10 30 DGEERN C=CCCC[C@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000343730977 527291052 /nfs/dbraw/zinc/29/10/52/527291052.db2.gz HKVDONMXSGJZBW-ZDUSSCGKSA-N 0 0 313.401 3.484 10 30 DGEERN C=CCCN(C)C(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000342576499 527308079 /nfs/dbraw/zinc/30/80/79/527308079.db2.gz WVYDECGYJGTSLX-UHFFFAOYSA-N 0 0 309.793 3.346 10 30 DGEERN C=CCCOCCCCC(=O)Nc1ccccc1N(C)C(C)=O ZINC000342865798 527337762 /nfs/dbraw/zinc/33/77/62/527337762.db2.gz HBBMYVWQAISBJV-UHFFFAOYSA-N 0 0 318.417 3.371 10 30 DGEERN C=CCn1c(SCCC(C)(C)OC)nnc1-c1cccnc1 ZINC000340667649 527338405 /nfs/dbraw/zinc/33/84/05/527338405.db2.gz XIGWREXYQCAIOS-UHFFFAOYSA-N 0 0 318.446 3.433 10 30 DGEERN C=CCCOCCNC(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000434283067 527347521 /nfs/dbraw/zinc/34/75/21/527347521.db2.gz NZMGITNIDRLRTQ-UHFFFAOYSA-N 0 0 320.408 3.250 10 30 DGEERN C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000337772154 527347913 /nfs/dbraw/zinc/34/79/13/527347913.db2.gz DYSBXCNQARYNSP-YJBOKZPZSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1C ZINC000351071601 527351923 /nfs/dbraw/zinc/35/19/23/527351923.db2.gz DOZXAFOEBDMEQU-RBSFLKMASA-N 0 0 318.465 3.371 10 30 DGEERN C=CCCOCCNC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000432074597 527351986 /nfs/dbraw/zinc/35/19/86/527351986.db2.gz CDHBNTHKMLWDCB-HNNXBMFYSA-N 0 0 322.836 3.432 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC=C(C)C1 ZINC000350729036 527353165 /nfs/dbraw/zinc/35/31/65/527353165.db2.gz IDZTVQJVWGAJDR-KRWDZBQOSA-N 0 0 322.412 3.297 10 30 DGEERN C=CCCOCCNC(=O)NCC1CC(c2ccccc2)C1 ZINC000338470338 527354826 /nfs/dbraw/zinc/35/48/26/527354826.db2.gz ZTGWUETZGSKQTI-UHFFFAOYSA-N 0 0 302.418 3.072 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@](C)(OC)C1 ZINC000424131127 527360372 /nfs/dbraw/zinc/36/03/72/527360372.db2.gz VTPQSRHEVHFWML-CJNGLKHVSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCCO[C@@H](C)C(=O)Nc1cccc(Cl)c1C(=O)OC ZINC000415999576 527385978 /nfs/dbraw/zinc/38/59/78/527385978.db2.gz HBHJQOZPEURRIB-JTQLQIEISA-N 0 0 311.765 3.046 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416040696 527389995 /nfs/dbraw/zinc/38/99/95/527389995.db2.gz BZRRBNNIVRWDCH-CZUORRHYSA-N 0 0 323.383 3.480 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447717235 527401759 /nfs/dbraw/zinc/40/17/59/527401759.db2.gz DIOVFQUFGKCDDA-NOZJJQNGSA-N 0 0 319.298 3.368 10 30 DGEERN C=C[C@@H](CC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000131699174 527420777 /nfs/dbraw/zinc/42/07/77/527420777.db2.gz SYRNXTKIWSLOHQ-QFBILLFUSA-N 0 0 322.408 3.421 10 30 DGEERN C=C[C@@H](CC(=O)NCc1nnc(C2CCC2)n1C)c1ccccc1 ZINC000129519877 527423324 /nfs/dbraw/zinc/42/33/24/527423324.db2.gz JGXJJVACVZHEPP-AWEZNQCLSA-N 0 0 324.428 3.059 10 30 DGEERN C=CCC[C@H](NC(=O)NC[C@@H](CO)C1CC1)c1ccccc1 ZINC000358802642 527478177 /nfs/dbraw/zinc/47/81/77/527478177.db2.gz FSXJITONXKXOSL-IRXDYDNUSA-N 0 0 302.418 3.012 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000424931118 527493100 /nfs/dbraw/zinc/49/31/00/527493100.db2.gz ITYFNEGGEGYKIJ-YIOUJQMASA-N 0 0 319.367 3.453 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C(F)(F)F)c1F ZINC000424935806 527497877 /nfs/dbraw/zinc/49/78/77/527497877.db2.gz ZGZKMISLWXRSCA-CABZTGNLSA-N 0 0 317.282 3.165 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000417092510 527509465 /nfs/dbraw/zinc/50/94/65/527509465.db2.gz FTVCVYIBGJSEFE-HOCLYGCPSA-N 0 0 302.418 3.478 10 30 DGEERN C=CCCc1ccccc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000443420147 527511505 /nfs/dbraw/zinc/51/15/05/527511505.db2.gz TZENFNRASMFLRO-HNNXBMFYSA-N 0 0 309.431 3.116 10 30 DGEERN C=CCCn1cc(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)nn1 ZINC000424612382 527519029 /nfs/dbraw/zinc/51/90/29/527519029.db2.gz FWZOKJBHNUZPGL-SFHVURJKSA-N 0 0 324.428 3.448 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338161375 527520200 /nfs/dbraw/zinc/52/02/00/527520200.db2.gz ZNVXQAPYKXYEGL-OALUTQOASA-N 0 0 301.430 3.141 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000135008577 527523053 /nfs/dbraw/zinc/52/30/53/527523053.db2.gz DYVJLFKAJLLIRE-BEFAXECRSA-N 0 0 316.445 3.240 10 30 DGEERN C=CCN(C(=O)Nc1ccc(F)c(C(=O)OC)c1C)C1CC1 ZINC000353484993 527542274 /nfs/dbraw/zinc/54/22/74/527542274.db2.gz LPVPJCYJJIAUCH-UHFFFAOYSA-N 0 0 306.337 3.103 10 30 DGEERN C=CCN(C(=O)c1ccc(C)o1)c1nc(C(=O)OCC)cs1 ZINC000337061855 527549993 /nfs/dbraw/zinc/54/99/93/527549993.db2.gz SJNPKXAVFKOPNU-UHFFFAOYSA-N 0 0 320.370 3.054 10 30 DGEERN C=CCN(CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C1CC1 ZINC000357550889 527581313 /nfs/dbraw/zinc/58/13/13/527581313.db2.gz HSWWEWWYTSVBBO-MRXNPFEDSA-N 0 0 312.457 3.464 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccccc1OCC ZINC000299299207 527586826 /nfs/dbraw/zinc/58/68/26/527586826.db2.gz NRGRRHUMWGCSCA-UHFFFAOYSA-N 0 0 317.307 3.041 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000364642029 527617400 /nfs/dbraw/zinc/61/74/00/527617400.db2.gz ZBXFELFHJSDFOW-RTBURBONSA-N 0 0 301.430 3.405 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1cnc(C)cn1 ZINC000427665554 527630542 /nfs/dbraw/zinc/63/05/42/527630542.db2.gz XKKINTLLJPBWOX-UONOGXRCSA-N 0 0 305.447 3.168 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000355586935 527635760 /nfs/dbraw/zinc/63/57/60/527635760.db2.gz PLYZBWLHVLNWOK-STQMWFEESA-N 0 0 323.261 3.012 10 30 DGEERN CC1(C)C[C@H]1NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000357849882 527762574 /nfs/dbraw/zinc/76/25/74/527762574.db2.gz CHKIOBCSNAIILN-CYBMUJFWSA-N 0 0 310.319 3.155 10 30 DGEERN CC1(C)C[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442176675 527763942 /nfs/dbraw/zinc/76/39/42/527763942.db2.gz QKIBIGQIZQRSJC-LLVKDONJSA-N 0 0 313.279 3.377 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000172946815 527939929 /nfs/dbraw/zinc/93/99/29/527939929.db2.gz VVXNHNNWOMODHU-SFHVURJKSA-N 0 0 324.384 3.282 10 30 DGEERN CCCCCCCC(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105812529 528117538 /nfs/dbraw/zinc/11/75/38/528117538.db2.gz RCRMKHKBVRXLJS-UHFFFAOYSA-N 0 0 318.465 3.184 10 30 DGEERN CCOc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1OCC ZINC000435994862 528406776 /nfs/dbraw/zinc/40/67/76/528406776.db2.gz ISSYFHGLGNFVJN-UHFFFAOYSA-N 0 0 311.341 3.003 10 30 DGEERN CCCOc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1OCCC ZINC000108828336 528652062 /nfs/dbraw/zinc/65/20/62/528652062.db2.gz LNDCJYMBIALTHM-OAHLLOKOSA-N 0 0 316.401 3.296 10 30 DGEERN CCCCOc1ccc(C(=O)NC2(C#N)CCCC2)cc1OC ZINC000060852517 528662781 /nfs/dbraw/zinc/66/27/81/528662781.db2.gz XYDLGBVTFRXKRT-UHFFFAOYSA-N 0 0 316.401 3.440 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CN(c1ccc(F)cc1)C(C)C ZINC000155055628 528691407 /nfs/dbraw/zinc/69/14/07/528691407.db2.gz ICXOXZMMGLJELY-CQSZACIVSA-N 0 0 305.397 3.049 10 30 DGEERN CC(C)[C@@](C)(C#N)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000128947916 528847803 /nfs/dbraw/zinc/84/78/03/528847803.db2.gz WYJYBYBJMNHTOQ-GOSISDBHSA-N 0 0 317.433 3.246 10 30 DGEERN CCOC[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180850006 528923661 /nfs/dbraw/zinc/92/36/61/528923661.db2.gz NJEWGNRRAXNJSS-OAHLLOKOSA-N 0 0 312.413 3.130 10 30 DGEERN CC[C@H](CC(=O)Nc1cc(C#N)ccn1)c1ccc(OC)cc1 ZINC000435993400 529306147 /nfs/dbraw/zinc/30/61/47/529306147.db2.gz JGGIPIYOWZCYKK-CQSZACIVSA-N 0 0 309.369 3.484 10 30 DGEERN N#Cc1nc(N2CCO[C@@H](c3cccs3)C2)ccc1Cl ZINC000301657577 536300845 /nfs/dbraw/zinc/30/08/45/536300845.db2.gz LPQJSMTUNSFCTR-GFCCVEGCSA-N 0 0 305.790 3.246 10 30 DGEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1sccc1C#N ZINC000052029341 545690320 /nfs/dbraw/zinc/69/03/20/545690320.db2.gz ZOBCNYJJTHDEGH-UHFFFAOYSA-N 0 0 322.393 3.078 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000076951147 545740410 /nfs/dbraw/zinc/74/04/10/545740410.db2.gz XCZSVZAHCWNATN-ZDUSSCGKSA-N 0 0 306.406 3.372 10 30 DGEERN C#CCCCCNC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000123794769 545907553 /nfs/dbraw/zinc/90/75/53/545907553.db2.gz XWSWCHZELAQUIZ-HNNXBMFYSA-N 0 0 310.401 3.036 10 30 DGEERN C=C(C)CN(C)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000184101181 546180795 /nfs/dbraw/zinc/18/07/95/546180795.db2.gz JYNXBZKWCYIWID-UHFFFAOYSA-N 0 0 318.402 3.254 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000185480030 546187258 /nfs/dbraw/zinc/18/72/58/546187258.db2.gz GAXXVVJZTZPZMS-OAHLLOKOSA-N 0 0 302.418 3.060 10 30 DGEERN COc1ccc(Br)c(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000230686542 546275091 /nfs/dbraw/zinc/27/50/91/546275091.db2.gz PQXDLSUEJCCFIP-YGRLFVJLSA-N 0 0 309.207 3.240 10 30 DGEERN Cc1cn2c(n1)[C@@H](CNC(=O)c1cc(C)cc3c[nH]nc31)CCC2 ZINC000328652455 546480847 /nfs/dbraw/zinc/48/08/47/546480847.db2.gz KMZHNQSAJTVQRX-CYBMUJFWSA-N 0 0 323.400 3.258 10 30 DGEERN Cc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000329619770 546488347 /nfs/dbraw/zinc/48/83/47/546488347.db2.gz QZAOSRFSGIZKEV-STQMWFEESA-N 0 0 314.341 3.454 10 30 DGEERN Cc1nc([C@@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)c2)cs1 ZINC000329994423 546493782 /nfs/dbraw/zinc/49/37/82/546493782.db2.gz 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ZINC000733053543 574593133 /nfs/dbraw/zinc/59/31/33/574593133.db2.gz JNLQHGUIMJQPPO-WBVHZDCISA-N 0 0 316.397 3.337 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000733053540 574593143 /nfs/dbraw/zinc/59/31/43/574593143.db2.gz JNLQHGUIMJQPPO-DOTOQJQBSA-N 0 0 316.397 3.337 10 30 DGEERN C#CCCNC(=O)c1ccc(OCCCCCC)c(OC)c1 ZINC000733246369 574609872 /nfs/dbraw/zinc/60/98/72/574609872.db2.gz CGRBAYXHYYJQKB-UHFFFAOYSA-N 0 0 303.402 3.407 10 30 DGEERN C#CCCNC(=O)c1cccnc1SCc1ccc(F)cc1 ZINC000733247246 574610101 /nfs/dbraw/zinc/61/01/01/574610101.db2.gz FMLXGELTMLSNLD-UHFFFAOYSA-N 0 0 314.385 3.266 10 30 DGEERN C#CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000733247926 574610151 /nfs/dbraw/zinc/61/01/51/574610151.db2.gz TXEVSSXLJFSEBG-UHFFFAOYSA-N 0 0 315.376 3.292 10 30 DGEERN C#CCCNc1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC000733302960 574612521 /nfs/dbraw/zinc/61/25/21/574612521.db2.gz ZUWADYOTJGPCPN-UHFFFAOYSA-N 0 0 314.458 3.339 10 30 DGEERN C#CCCNC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000733343170 574617091 /nfs/dbraw/zinc/61/70/91/574617091.db2.gz LIQCAEISAMOMLX-LBPRGKRZSA-N 0 0 323.234 3.093 10 30 DGEERN C#CCCNC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000733356286 574617680 /nfs/dbraw/zinc/61/76/80/574617680.db2.gz IUSCOTQDFKWOAL-LJQANCHMSA-N 0 0 304.393 3.367 10 30 DGEERN CN(C)c1cc(C(=O)OCc2ccccc2C#N)cc(Cl)n1 ZINC000733575478 574629284 /nfs/dbraw/zinc/62/92/84/574629284.db2.gz RIHURSIJCDNQBI-UHFFFAOYSA-N 0 0 315.760 3.030 10 30 DGEERN C#CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000733622577 574631748 /nfs/dbraw/zinc/63/17/48/574631748.db2.gz VGWRLLHEMIVRRH-GOSISDBHSA-N 0 0 303.365 3.487 10 30 DGEERN C#CCCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000733619490 574632036 /nfs/dbraw/zinc/63/20/36/574632036.db2.gz YWDUMYIBEXEKQQ-UHFFFAOYSA-N 0 0 320.698 3.426 10 30 DGEERN C#CCCNC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000733617674 574632743 /nfs/dbraw/zinc/63/27/43/574632743.db2.gz WZLDEAMDZNYSBZ-UHFFFAOYSA-N 0 0 321.352 3.157 10 30 DGEERN C#CCOc1cccc(COC(=O)[C@@H](CC)OC2CCCC2)c1 ZINC000733698705 574634525 /nfs/dbraw/zinc/63/45/25/574634525.db2.gz XYQKEIYPHLFPJY-GOSISDBHSA-N 0 0 316.397 3.480 10 30 DGEERN C=C(COC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)OCC ZINC000734029076 574647397 /nfs/dbraw/zinc/64/73/97/574647397.db2.gz RGMUZLSQVOWUDF-UHFFFAOYSA-N 0 0 307.733 3.097 10 30 DGEERN C=C(COC(=O)c1csc(-c2ccccc2)n1)C(=O)OCC ZINC000734026914 574647612 /nfs/dbraw/zinc/64/76/12/574647612.db2.gz FCQBZTKUDMTTND-UHFFFAOYSA-N 0 0 317.366 3.086 10 30 DGEERN C=C(COC(=O)C[C@@H]1CCCc2ccccc21)C(=O)OCC ZINC000734033415 574647834 /nfs/dbraw/zinc/64/78/34/574647834.db2.gz QKYRLOHUGQLGLD-HNNXBMFYSA-N 0 0 302.370 3.159 10 30 DGEERN C=C(COC(=O)Cc1csc2ccccc12)C(=O)OCC ZINC000734029756 574647901 /nfs/dbraw/zinc/64/79/01/574647901.db2.gz QTMXQYOHWAJABV-UHFFFAOYSA-N 0 0 304.367 3.106 10 30 DGEERN C=C(COC(=O)c1c(C)nc2ccccc2c1C)C(=O)OCC ZINC000734025399 574648316 /nfs/dbraw/zinc/64/83/16/574648316.db2.gz OLROINJMWACRMJ-UHFFFAOYSA-N 0 0 313.353 3.128 10 30 DGEERN C#CCOc1ccccc1CNC(=O)NC/C=C/c1ccccc1 ZINC000734170687 574652796 /nfs/dbraw/zinc/65/27/96/574652796.db2.gz MTVVMBMHACTMDU-DHZHZOJOSA-N 0 0 320.392 3.211 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N1CCCCC[C@@H]1C ZINC000734171905 574652933 /nfs/dbraw/zinc/65/29/33/574652933.db2.gz NTVPKYHZXNIKDY-HNNXBMFYSA-N 0 0 300.402 3.173 10 30 DGEERN CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(C#N)nc2)c1C ZINC000734600871 574669852 /nfs/dbraw/zinc/66/98/52/574669852.db2.gz JFIPLHADYODXJT-UHFFFAOYSA-N 0 0 322.364 3.438 10 30 DGEERN CC(C)c1noc(OCc2cc(Cl)ccc2OCC#N)n1 ZINC000735233270 574692051 /nfs/dbraw/zinc/69/20/51/574692051.db2.gz OVOWTNFPIQPLBM-UHFFFAOYSA-N 0 0 307.737 3.328 10 30 DGEERN COC(=O)C[C@@H](C)SCc1cc(Cl)ccc1OCC#N ZINC000735233834 574692152 /nfs/dbraw/zinc/69/21/52/574692152.db2.gz GDCOAYLJEYPCGD-SNVBAGLBSA-N 0 0 313.806 3.427 10 30 DGEERN CCOC(=O)CN(Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735308713 574696524 /nfs/dbraw/zinc/69/65/24/574696524.db2.gz QEFWBVIKMYXDEA-UHFFFAOYSA-N 0 0 324.808 3.016 10 30 DGEERN CCOC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308829 574696600 /nfs/dbraw/zinc/69/66/00/574696600.db2.gz UXROGYDKWWVALE-UHFFFAOYSA-N 0 0 308.809 3.243 10 30 DGEERN C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)NC1CC1 ZINC000735320516 574697650 /nfs/dbraw/zinc/69/76/50/574697650.db2.gz WEUJVQMNQIKRIV-JTQLQIEISA-N 0 0 324.833 3.143 10 30 DGEERN CSC[C@@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735350246 574699096 /nfs/dbraw/zinc/69/90/96/574699096.db2.gz LXFCQUUVVLXMGQ-SNVBAGLBSA-N 0 0 313.806 3.285 10 30 DGEERN COCCCCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735345028 574699132 /nfs/dbraw/zinc/69/91/32/574699132.db2.gz DDVYZYSLDUNFNJ-UHFFFAOYSA-N 0 0 311.765 3.102 10 30 DGEERN C#Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)cn1 ZINC000736041219 574728992 /nfs/dbraw/zinc/72/89/92/574728992.db2.gz HKKBQRLCDOSKIT-SNVBAGLBSA-N 0 0 302.736 3.346 10 30 DGEERN C=C(Cl)CNC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000736241875 574736805 /nfs/dbraw/zinc/73/68/05/574736805.db2.gz FIJMQZOAXNCBHF-FYJFLYSWSA-N 0 0 321.804 3.291 10 30 DGEERN CC(N=Nc1c(F)c(F)nc(F)c1F)c1cncc(F)c1 ZINC000737425145 574842794 /nfs/dbraw/zinc/84/27/94/574842794.db2.gz PTESVZZZQMLHDG-UHFFFAOYSA-N 0 0 302.206 3.008 10 30 DGEERN C#CCSCCNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000739821876 574912665 /nfs/dbraw/zinc/91/26/65/574912665.db2.gz XOROGFHMDBCKQW-UHFFFAOYSA-N 0 0 316.451 3.215 10 30 DGEERN C#CCSCCNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000739824983 574912707 /nfs/dbraw/zinc/91/27/07/574912707.db2.gz JOTSWFRNAPNJTO-UHFFFAOYSA-N 0 0 310.781 3.057 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000741519425 574961385 /nfs/dbraw/zinc/96/13/85/574961385.db2.gz NQSXVXWCHADEBW-CQSZACIVSA-N 0 0 309.365 3.198 10 30 DGEERN C#CCCNC(=O)c1nnn(-c2cccc(C(C)C)c2)c1CCC ZINC000741563579 574963019 /nfs/dbraw/zinc/96/30/19/574963019.db2.gz GVERJDILPMTHBX-UHFFFAOYSA-N 0 0 324.428 3.096 10 30 DGEERN C/C(=C/C(=O)NCCOc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000741971483 574978462 /nfs/dbraw/zinc/97/84/62/574978462.db2.gz KJHNFMNLUMBKAY-KAMYIIQDSA-N 0 0 324.355 3.296 10 30 DGEERN CCCCc1noc([C@H](C)ON=C(C)Cn2nc(C)cc2C)n1 ZINC000742354615 574991605 /nfs/dbraw/zinc/99/16/05/574991605.db2.gz RJLSVEQICDXIBY-AWEZNQCLSA-N 0 0 319.409 3.379 10 30 DGEERN C#CCOc1ccc(F)cc1NCc1ccc(-n2cncn2)cc1 ZINC000742376815 574993892 /nfs/dbraw/zinc/99/38/92/574993892.db2.gz IDHNKFXZVVMLTN-UHFFFAOYSA-N 0 0 322.343 3.031 10 30 DGEERN C#Cc1cccc(NC(=S)NCCc2ncc(CC)s2)c1 ZINC000743015435 575030061 /nfs/dbraw/zinc/03/00/61/575030061.db2.gz GHQBQPVUUZYHMW-UHFFFAOYSA-N 0 0 315.467 3.216 10 30 DGEERN C[C@H](NC(=S)NCc1ccc(C#N)cc1F)c1cccs1 ZINC000729822415 575264118 /nfs/dbraw/zinc/26/41/18/575264118.db2.gz VCPFSUWPAGZSRJ-JTQLQIEISA-N 0 0 319.430 3.484 10 30 DGEERN Cc1cccc2c1CCN(C(=O)NCc1ccc(C#N)cc1F)C2 ZINC000729880013 575264972 /nfs/dbraw/zinc/26/49/72/575264972.db2.gz SBOQZOBNKBBVOA-UHFFFAOYSA-N 0 0 323.371 3.274 10 30 DGEERN C#CCCCOC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000729889703 575265495 /nfs/dbraw/zinc/26/54/95/575265495.db2.gz NALINWDCIYXUDB-UHFFFAOYSA-N 0 0 310.275 3.012 10 30 DGEERN Cc1ncc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000726480972 576026535 /nfs/dbraw/zinc/02/65/35/576026535.db2.gz QDCPIWPFIJLMHG-UHFFFAOYSA-N 0 0 322.846 3.463 10 30 DGEERN Cc1ccc(NN=Cc2cccc(NC(=O)C(F)(F)F)c2)nc1 ZINC000727260438 576116764 /nfs/dbraw/zinc/11/67/64/576116764.db2.gz WTGOJZUSXHZSHE-UHFFFAOYSA-N 0 0 322.290 3.337 10 30 DGEERN COc1ccc(N2CCC(N=Nc3ccc(C)cn3)CC2)cc1 ZINC000727260137 576116824 /nfs/dbraw/zinc/11/68/24/576116824.db2.gz RKGVZICTUBASQL-UHFFFAOYSA-N 0 0 310.401 3.467 10 30 DGEERN Brc1ccc(N=NCc2cccc3c2OCO3)nc1 ZINC000727263319 576116837 /nfs/dbraw/zinc/11/68/37/576116837.db2.gz XUSHOADRPKHISC-UHFFFAOYSA-N 0 0 320.146 3.019 10 30 DGEERN Cc1ccc(NN=Cc2cc(Cl)c3c(c2)OCCO3)nc1 ZINC000727260406 576116862 /nfs/dbraw/zinc/11/68/62/576116862.db2.gz UZURDZKRSJTEKN-UHFFFAOYSA-N 0 0 303.749 3.261 10 30 DGEERN C#Cc1cccc(N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000728574128 576188796 /nfs/dbraw/zinc/18/87/96/576188796.db2.gz VWSYCIMOSYMKGD-UHFFFAOYSA-N 0 0 322.452 3.189 10 30 DGEERN C=C(Br)CNC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000728749855 576198492 /nfs/dbraw/zinc/19/84/92/576198492.db2.gz YBZQFYUGLFHSAU-RYUDHWBXSA-N 0 0 303.244 3.409 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)nc1 ZINC000728824893 576210667 /nfs/dbraw/zinc/21/06/67/576210667.db2.gz UGINGLKUFRGHID-OAHLLOKOSA-N 0 0 318.298 3.439 10 30 DGEERN C#CCCCCNC(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000155012755 620755578 /nfs/dbraw/zinc/75/55/78/620755578.db2.gz OUEPVRYETQLYLN-UHFFFAOYSA-N 0 0 315.373 3.096 10 30 DGEERN Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267157 618984306 /nfs/dbraw/zinc/98/43/06/618984306.db2.gz DGWXXHUYQIBJSH-BLLLJJGKSA-N 0 0 307.397 3.352 10 30 DGEERN C#CCN(CC#C)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000121314033 619051612 /nfs/dbraw/zinc/05/16/12/619051612.db2.gz MMPIUILXYQQUQW-MSOLQXFVSA-N 0 0 303.446 3.237 10 30 DGEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC000910489049 620296750 /nfs/dbraw/zinc/29/67/50/620296750.db2.gz ZMHWUFFMRJMHDI-AYSMAOOMSA-N 0 0 322.430 3.032 10 30 DGEERN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)c1nc(CC)cs1 ZINC000910743069 620311309 /nfs/dbraw/zinc/31/13/09/620311309.db2.gz UUKVEUPIMLWSKD-IACUBPJLSA-N 0 0 308.447 3.254 10 30 DGEERN C=CCC(CC=C)C(=O)OC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000151575798 620463732 /nfs/dbraw/zinc/46/37/32/620463732.db2.gz VBXMGUAPRRGWMC-HNNXBMFYSA-N 0 0 313.397 3.351 10 30 DGEERN C#C[C@H](OC(=O)CCCOc1ccc(OCC)cc1)C1CC1 ZINC000152379846 620503174 /nfs/dbraw/zinc/50/31/74/620503174.db2.gz OGLNVJGEUFKUOF-KRWDZBQOSA-N 0 0 302.370 3.199 10 30 DGEERN C#C[C@@H](OC(=O)CCc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000152535689 620512148 /nfs/dbraw/zinc/51/21/48/620512148.db2.gz RALOTBZKPXRZND-OAHLLOKOSA-N 0 0 301.386 3.147 10 30 DGEERN C#C[C@@H](OC(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CC1 ZINC000152767935 620521651 /nfs/dbraw/zinc/52/16/51/620521651.db2.gz CTWZPCFFEUCXLP-OAHLLOKOSA-N 0 0 300.745 3.094 10 30 DGEERN CO[C@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1ccccc1 ZINC000153320152 620550334 /nfs/dbraw/zinc/55/03/34/620550334.db2.gz RTNYCHSANCCZKP-CJNGLKHVSA-N 0 0 315.394 3.361 10 30 DGEERN C#CCC(C)(C)COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000153354812 620554188 /nfs/dbraw/zinc/55/41/88/620554188.db2.gz NZWGDWNMMPAMES-AWEZNQCLSA-N 0 0 323.433 3.273 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000112582133 620834093 /nfs/dbraw/zinc/83/40/93/620834093.db2.gz QYWKVVZLONGJMH-CABCVRRESA-N 0 0 302.370 3.199 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000112817389 620856200 /nfs/dbraw/zinc/85/62/00/620856200.db2.gz QUWAJXRWALZOLQ-GJZGRUSLSA-N 0 0 302.370 3.199 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccn1 ZINC000113660898 620935153 /nfs/dbraw/zinc/93/51/53/620935153.db2.gz FJAWFWYIDWFMFG-GUYCJALGSA-N 0 0 313.328 3.296 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000103102156 621259416 /nfs/dbraw/zinc/25/94/16/621259416.db2.gz RRXGMFXVNFBYJW-UHFFFAOYSA-N 0 0 319.320 3.334 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=C(C)OCCC1 ZINC000124013987 622875099 /nfs/dbraw/zinc/87/50/99/622875099.db2.gz GBNZQOXHSUJKBL-UHFFFAOYSA-N 0 0 316.357 3.194 10 30 DGEERN CCCCCCCCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000129369516 625603868 /nfs/dbraw/zinc/60/38/68/625603868.db2.gz LQWYQPGFWUWWQX-HNNXBMFYSA-N 0 0 321.469 3.033 10 30 DGEERN COc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1C#N ZINC000125036446 623279612 /nfs/dbraw/zinc/27/96/12/623279612.db2.gz QECHBHSCXYLGCM-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O[C@H](C#N)C(C)(C)C)C1 ZINC000126389079 623818108 /nfs/dbraw/zinc/81/81/08/623818108.db2.gz AKJLDAJHZZIZKS-QWHCGFSZSA-N 0 0 324.421 3.115 10 30 DGEERN CCCC[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000126615680 623964244 /nfs/dbraw/zinc/96/42/44/623964244.db2.gz ARBWPBHNTURXMH-ZDUSSCGKSA-N 0 0 305.422 3.468 10 30 DGEERN Cc1ccc(CCCCC(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 ZINC000126917232 624170832 /nfs/dbraw/zinc/17/08/32/624170832.db2.gz SUQNTENAVBEMMO-KRWDZBQOSA-N 0 0 312.413 3.039 10 30 DGEERN CC(=O)CCc1ccc(OCC(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000130581069 625876483 /nfs/dbraw/zinc/87/64/83/625876483.db2.gz TVOYEGMLNVBRSW-CQSZACIVSA-N 0 0 317.385 3.068 10 30 DGEERN C=CCCOC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000103647764 626405260 /nfs/dbraw/zinc/40/52/60/626405260.db2.gz XXQQHKKWFHJYTO-INIZCTEOSA-N 0 0 303.402 3.259 10 30 DGEERN COCCCOc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000131269237 626617000 /nfs/dbraw/zinc/61/70/00/626617000.db2.gz SHUUVUVMDUQAAV-CYBMUJFWSA-N 0 0 305.374 3.197 10 30 DGEERN C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000027688795 626682118 /nfs/dbraw/zinc/68/21/18/626682118.db2.gz HHUHJKVRIRZXFL-BUUCAEBMSA-N 0 0 320.348 3.178 10 30 DGEERN N#Cc1ccc2ncc(/C=C3\COc4c(F)cccc4C3=O)n2c1 ZINC000134291103 626869881 /nfs/dbraw/zinc/86/98/81/626869881.db2.gz BSAYBTOCPDEBII-WUXMJOGZSA-N 0 0 319.295 3.004 10 30 DGEERN CCOc1ccccc1OCCCC(=O)O[C@H](C#N)C(C)C ZINC000121591686 631200955 /nfs/dbraw/zinc/20/09/55/631200955.db2.gz RAMBTXUMWPSEMO-MRXNPFEDSA-N 0 0 305.374 3.336 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](C)OCCC=C ZINC000107059909 631517494 /nfs/dbraw/zinc/51/74/94/631517494.db2.gz MAHGUHBFNCWYFH-HUUCEWRRSA-N 0 0 302.370 3.284 10 30 DGEERN C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)cc1 ZINC000108185798 631823421 /nfs/dbraw/zinc/82/34/21/631823421.db2.gz ASJYHUPTMQKQCV-RBUKOAKNSA-N 0 0 321.376 3.449 10 30 DGEERN C#CCOc1cccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000108516609 631903519 /nfs/dbraw/zinc/90/35/19/631903519.db2.gz BKZTZNLAPNSJEZ-QZTJIDSGSA-N 0 0 306.365 3.376 10 30 DGEERN C#CCC(C)(C)COC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000185361349 660218626 /nfs/dbraw/zinc/21/86/26/660218626.db2.gz WSLSWPTZCNRMSX-UHFFFAOYSA-N 0 0 311.422 3.273 10 30 DGEERN COc1ccccc1OCCN(C)c1cc(C#N)ccc1C(C)=O ZINC000359535905 660489552 /nfs/dbraw/zinc/48/95/52/660489552.db2.gz DGNPPVLSPQIXIY-UHFFFAOYSA-N 0 0 324.380 3.285 10 30 DGEERN C#CCN(C(=O)CSc1nc2ccccc2o1)C1CCCC1 ZINC000163993078 660603140 /nfs/dbraw/zinc/60/31/40/660603140.db2.gz XJAKDMPPGWCRER-UHFFFAOYSA-N 0 0 314.410 3.324 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000700584512 660629431 /nfs/dbraw/zinc/62/94/31/660629431.db2.gz OUXBSABWLXBCBE-LLVKDONJSA-N 0 0 312.196 3.244 10 30 DGEERN C#C[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)C(C)(C)C ZINC000702236967 660717380 /nfs/dbraw/zinc/71/73/80/660717380.db2.gz UTGJAVDPFUIHMG-VIFPVBQESA-N 0 0 305.852 3.036 10 30 DGEERN N#Cc1cnccc1N1Cc2ccc(Br)cc2C1 ZINC000707988449 660915776 /nfs/dbraw/zinc/91/57/76/660915776.db2.gz XRRQHINPFLBVHT-UHFFFAOYSA-N 0 0 300.159 3.236 10 30 DGEERN C=CC[C@H](C)NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000187078146 660948690 /nfs/dbraw/zinc/94/86/90/660948690.db2.gz CRJZRILZDZZRRU-NSHDSACASA-N 0 0 305.378 3.123 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000187155180 660961553 /nfs/dbraw/zinc/96/15/53/660961553.db2.gz GXOMEJPVXHVERL-UONOGXRCSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000186948267 655539829 /nfs/dbraw/zinc/53/98/29/655539829.db2.gz HLQPMWVQMMJPRE-DOTOQJQBSA-N 0 0 318.417 3.273 10 30 DGEERN Cn1ncc2c1CCC(=Cc1c[nH]c(-c3ccccc3)n1)C2=O ZINC000254941942 655547079 /nfs/dbraw/zinc/54/70/79/655547079.db2.gz DAYALPOUUDZJFS-UKTHLTGXSA-N 0 0 304.353 3.023 10 30 DGEERN C=C[C@@H](C)OC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000187581403 655552121 /nfs/dbraw/zinc/55/21/21/655552121.db2.gz DEYBULNRLILWOX-LLVKDONJSA-N 0 0 304.321 3.234 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000187604010 655553091 /nfs/dbraw/zinc/55/30/91/655553091.db2.gz AUTUONXKJSYQCD-APWZRJJASA-N 0 0 317.429 3.285 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175765954 655557462 /nfs/dbraw/zinc/55/74/62/655557462.db2.gz DIMIUONMRJCJBV-UHFFFAOYSA-N 0 0 322.670 3.439 10 30 DGEERN O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cc(O)cc(O)c1 ZINC000255160100 655616630 /nfs/dbraw/zinc/61/66/30/655616630.db2.gz IASWKHFFCWRDID-SREVYHEPSA-N 0 0 306.321 3.384 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000160379901 655626542 /nfs/dbraw/zinc/62/65/42/655626542.db2.gz QJOKPWBGDSOYAQ-UHFFFAOYSA-N 0 0 319.364 3.011 10 30 DGEERN C=C[C@@H](C)OC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000187576477 655663048 /nfs/dbraw/zinc/66/30/48/655663048.db2.gz QAUBKDCPKRSSJY-RDTXWAMCSA-N 0 0 301.386 3.047 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)CCOC2CCOCC2)CC1 ZINC000175981889 655675484 /nfs/dbraw/zinc/67/54/84/655675484.db2.gz HPZOPMPPCOUWQJ-INIZCTEOSA-N 0 0 308.418 3.418 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)c1oc(CC)cc1C ZINC000157078262 655686504 /nfs/dbraw/zinc/68/65/04/655686504.db2.gz OXKNBKBLZIDZCC-UHFFFAOYSA-N 0 0 312.369 3.319 10 30 DGEERN C=CCc1ccccc1OC(=O)c1ccc([S@@](C)=O)cc1 ZINC000069837141 655703884 /nfs/dbraw/zinc/70/38/84/655703884.db2.gz WLAKWSKXWKYSSC-NRFANRHFSA-N 0 0 300.379 3.372 10 30 DGEERN N#C[C@H](OC(=O)/C=C/c1ccccc1OC(F)(F)F)C1CC1 ZINC000176078531 655732133 /nfs/dbraw/zinc/73/21/33/655732133.db2.gz WKDCAXAKEODGST-GWJCSSMESA-N 0 0 311.259 3.444 10 30 DGEERN Cn1cc(C#N)cc1C(=O)O[C@H](c1ccccc1)c1cccnc1 ZINC000176131332 655740878 /nfs/dbraw/zinc/74/08/78/655740878.db2.gz WNIRPCIBRGIQRT-GOSISDBHSA-N 0 0 317.348 3.238 10 30 DGEERN O=C(C#Cc1ccccc1)Nc1nc(-c2ccccn2)cs1 ZINC000176261606 655746381 /nfs/dbraw/zinc/74/63/81/655746381.db2.gz LKNKHOYIEGAYSS-UHFFFAOYSA-N 0 0 305.362 3.195 10 30 DGEERN CON=Cc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000255470133 655757357 /nfs/dbraw/zinc/75/73/57/655757357.db2.gz NSIXMHGFMNTKII-UHFFFAOYSA-N 0 0 309.325 3.369 10 30 DGEERN N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)c1ccccn1 ZINC000121982672 655798534 /nfs/dbraw/zinc/79/85/34/655798534.db2.gz RVLFQLYIMGYTHV-AWEZNQCLSA-N 0 0 316.307 3.492 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000188065988 655802554 /nfs/dbraw/zinc/80/25/54/655802554.db2.gz OJTPNLUJMPCYPR-AWEZNQCLSA-N 0 0 304.390 3.427 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000187583883 655809469 /nfs/dbraw/zinc/80/94/69/655809469.db2.gz OVKYEJIIKBRLSO-SCLBCKFNSA-N 0 0 320.385 3.291 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)CCc1ccccc1O ZINC000156512288 655813134 /nfs/dbraw/zinc/81/31/34/655813134.db2.gz ZTFZRVPAVWYJNE-UHFFFAOYSA-N 0 0 313.328 3.115 10 30 DGEERN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161816499 655822078 /nfs/dbraw/zinc/82/20/78/655822078.db2.gz XTZIPOLBHPTCMD-UHFFFAOYSA-N 0 0 321.380 3.177 10 30 DGEERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1ccc(F)cc1C#N ZINC000309716549 655874697 /nfs/dbraw/zinc/87/46/97/655874697.db2.gz KZUQGUQQKFERRT-WDEREUQCSA-N 0 0 307.369 3.411 10 30 DGEERN C[C@@H](Nc1ccc(F)cc1C#N)[C@H](C)NC(=O)OC(C)(C)C ZINC000309716543 655876894 /nfs/dbraw/zinc/87/68/94/655876894.db2.gz KZUQGUQQKFERRT-MNOVXSKESA-N 0 0 307.369 3.411 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000255714228 655891433 /nfs/dbraw/zinc/89/14/33/655891433.db2.gz VAXGCXQMNCZIEH-CFYYFVFUSA-N 0 0 318.804 3.368 10 30 DGEERN N#Cc1c(F)cccc1OS(=O)(=O)/C=C\c1ccccc1 ZINC000255716335 655891583 /nfs/dbraw/zinc/89/15/83/655891583.db2.gz ITQDBZHTJQSSJK-KTKRTIGZSA-N 0 0 303.314 3.077 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](C)CC#N ZINC000255772246 655901109 /nfs/dbraw/zinc/90/11/09/655901109.db2.gz MIMLZQVLPBYCFY-CKXPSTMWSA-N 0 0 323.396 3.455 10 30 DGEERN C=C(C)COC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000177198087 655916934 /nfs/dbraw/zinc/91/69/34/655916934.db2.gz OYAPTWBQUGMJGG-SNVBAGLBSA-N 0 0 314.307 3.028 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@@H]2CCCN(C(=O)CC)C2)CC1 ZINC000177693562 655940075 /nfs/dbraw/zinc/94/00/75/655940075.db2.gz BDRZDVKKWNIGJW-DLBZAZTESA-N 0 0 319.445 3.481 10 30 DGEERN C#CC[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(C)C ZINC000177724723 655943319 /nfs/dbraw/zinc/94/33/19/655943319.db2.gz WUSXCZQDSGCJPS-MRXNPFEDSA-N 0 0 301.411 3.383 10 30 DGEERN O=C(CCOCC(F)(F)F)OCC#Cc1ccc(Cl)cc1 ZINC000177895677 655949093 /nfs/dbraw/zinc/94/90/93/655949093.db2.gz RNTKAQRRLDMQHV-UHFFFAOYSA-N 0 0 320.694 3.204 10 30 DGEERN C#CCCCCC(=O)OC1CCN(c2ccc(Cl)cn2)CC1 ZINC000180755897 655968686 /nfs/dbraw/zinc/96/86/86/655968686.db2.gz RMEBJRGVZIDSKF-UHFFFAOYSA-N 0 0 320.820 3.441 10 30 DGEERN N#CC1(COC(=O)c2cnn(CCC(F)(F)F)c2)CCCC1 ZINC000181666427 656100392 /nfs/dbraw/zinc/10/03/92/656100392.db2.gz RWFVVEHCMYAODX-UHFFFAOYSA-N 0 0 315.295 3.076 10 30 DGEERN COc1ccc(COc2ccc3ccc(=O)oc3c2)cc1C#N ZINC000162356357 656135360 /nfs/dbraw/zinc/13/53/60/656135360.db2.gz KHYWGTKTQHMOMY-UHFFFAOYSA-N 0 0 307.305 3.252 10 30 DGEERN C[C@@H]1COc2ccccc2CN1C(=O)N[C@H]1COc2ccccc21 ZINC000329442476 656145882 /nfs/dbraw/zinc/14/58/82/656145882.db2.gz KGIYPRLDGZFFEQ-CJNGLKHVSA-N 0 0 324.380 3.317 10 30 DGEERN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189320710 656154065 /nfs/dbraw/zinc/15/40/65/656154065.db2.gz JCBDHJQWZNVWAL-OLZOCXBDSA-N 0 0 317.389 3.057 10 30 DGEERN C#CC[C@H](COC)NC(=O)CCc1ccc(Cl)cc1Cl ZINC000716946670 661234725 /nfs/dbraw/zinc/23/47/25/661234725.db2.gz DGGFTVLTOUNSPP-CYBMUJFWSA-N 0 0 314.212 3.081 10 30 DGEERN CCCCCCCS(=O)(=O)N1CCC(OCC(C)C)CC1 ZINC000195124670 656209176 /nfs/dbraw/zinc/20/91/76/656209176.db2.gz MZTLIJDBQLXXRI-UHFFFAOYSA-N 0 0 319.511 3.424 10 30 DGEERN C#CCN(C(=O)NCCc1cc(C)ccc1OC)C1CCCC1 ZINC000162822502 656415904 /nfs/dbraw/zinc/41/59/04/656415904.db2.gz UNEKSZIXBWSPAY-UHFFFAOYSA-N 0 0 314.429 3.134 10 30 DGEERN Cc1cc(S(=O)(=O)Oc2ccc(CC#N)cc2)c(C)s1 ZINC000032550871 656640382 /nfs/dbraw/zinc/64/03/82/656640382.db2.gz UZJVBVUYBLUEOH-UHFFFAOYSA-N 0 0 307.396 3.199 10 30 DGEERN COc1ccc(O)c(/C=N/[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000074374591 661286615 /nfs/dbraw/zinc/28/66/15/661286615.db2.gz VVHCQOLUYPUQLO-UOBPLZBXSA-N 0 0 324.380 3.015 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000328780919 656865865 /nfs/dbraw/zinc/86/58/65/656865865.db2.gz MRSLEWCBHWKVPE-UGFHNGPFSA-N 0 0 318.421 3.223 10 30 DGEERN C=CCC[C@H](OC(=O)c1nc(-c2cnn(C)c2)oc1C)C1CC1 ZINC000178810870 657070683 /nfs/dbraw/zinc/07/06/83/657070683.db2.gz SZNCRJDNPHOMOH-AWEZNQCLSA-N 0 0 315.373 3.285 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccn(-c2ccccc2)n1 ZINC000191137543 657370617 /nfs/dbraw/zinc/37/06/17/657370617.db2.gz RQWPQCBWTRTCKU-SFHVURJKSA-N 0 0 314.385 3.258 10 30 DGEERN CC#CCCCC(=O)OCCCNc1ncnc2ccccc21 ZINC000183737723 657381874 /nfs/dbraw/zinc/38/18/74/657381874.db2.gz SJBATYPNHWSGEG-UHFFFAOYSA-N 0 0 311.385 3.169 10 30 DGEERN C#CCN(C(=O)N[C@H]1CCCO[C@H]1CC(C)C)C1CCCC1 ZINC000186226549 657405826 /nfs/dbraw/zinc/40/58/26/657405826.db2.gz IIWPQCQZBUNPMQ-IRXDYDNUSA-N 0 0 306.450 3.168 10 30 DGEERN COc1c(Br)cc(Br)cc1C=NO ZINC000252369997 657565097 /nfs/dbraw/zinc/56/50/97/657565097.db2.gz MVSJGXIBRQAPML-UHFFFAOYSA-N 0 0 308.957 3.028 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cnc(C)nc1C(C)C ZINC000191114892 657789778 /nfs/dbraw/zinc/78/97/78/657789778.db2.gz KOTKQIPZRHSXQO-KRWDZBQOSA-N 0 0 306.406 3.294 10 30 DGEERN C=CCc1ccc(OCC(=O)OCc2ccoc2)c(OC)c1 ZINC000170722263 658014169 /nfs/dbraw/zinc/01/41/69/658014169.db2.gz VFYYQYCLZGCZCF-UHFFFAOYSA-N 0 0 302.326 3.139 10 30 DGEERN C#CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886212 658062498 /nfs/dbraw/zinc/06/24/98/658062498.db2.gz JSVHXRLRTYBQTD-IBGZPJMESA-N 0 0 318.376 3.428 10 30 DGEERN C=C(C)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016207732 658351615 /nfs/dbraw/zinc/35/16/15/658351615.db2.gz ZHZAUBSHPAEQBK-UHFFFAOYSA-N 0 0 309.365 3.203 10 30 DGEERN CC[C@@H](C#N)NC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000179245377 658390118 /nfs/dbraw/zinc/39/01/18/658390118.db2.gz DEPBUCOTSFEKRT-LBPRGKRZSA-N 0 0 313.382 3.032 10 30 DGEERN N#C[C@H](C(=O)CCCOc1ccc(F)cc1F)c1ccccn1 ZINC000067798236 658718396 /nfs/dbraw/zinc/71/83/96/658718396.db2.gz AOHPIJJHHZRGDA-ZDUSSCGKSA-N 0 0 316.307 3.395 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000163987269 658911085 /nfs/dbraw/zinc/91/10/85/658911085.db2.gz PSWNXJXOOVVNQF-LSDHHAIUSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)N[C@@H]1CCc2cc(F)ccc21)C1CCCC1 ZINC000164692381 658941589 /nfs/dbraw/zinc/94/15/89/658941589.db2.gz TWBVXHYSBUTDJE-QGZVFWFLSA-N 0 0 300.377 3.400 10 30 DGEERN Cc1ncccc1/C=C1/COC/C(=C/c2cccnc2C)C1=O ZINC000156767337 658942801 /nfs/dbraw/zinc/94/28/01/658942801.db2.gz HFPGCGZVHVNFLL-XFQWXJFMSA-N 0 0 306.365 3.160 10 30 DGEERN CC(=O)c1cccc(COC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000164733313 658944363 /nfs/dbraw/zinc/94/43/63/658944363.db2.gz WRKVTBHMAAQJBD-AWEZNQCLSA-N 0 0 323.348 3.272 10 30 DGEERN C#CC[C@H](OC(=O)CSCc1cscn1)c1ccccn1 ZINC000157072220 658984537 /nfs/dbraw/zinc/98/45/37/658984537.db2.gz NIRAHWXWVKATPG-AWEZNQCLSA-N 0 0 318.423 3.079 10 30 DGEERN C#CC[C@@H](OC(=O)CSCc1cscn1)c1ccccn1 ZINC000157072368 658984560 /nfs/dbraw/zinc/98/45/60/658984560.db2.gz NIRAHWXWVKATPG-CQSZACIVSA-N 0 0 318.423 3.079 10 30 DGEERN COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc2c1OCCO2 ZINC000059270131 659140459 /nfs/dbraw/zinc/14/04/59/659140459.db2.gz ATZRHCNKEABZQL-AATRIKPKSA-N 0 0 321.332 3.234 10 30 DGEERN COc1cc(C#N)ccc1OCCCC(=O)OCc1ccoc1 ZINC000170720607 659229904 /nfs/dbraw/zinc/22/99/04/659229904.db2.gz QKKDPORXGMRYLT-UHFFFAOYSA-N 0 0 315.325 3.062 10 30 DGEERN CC(=O)C1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000229212007 659244462 /nfs/dbraw/zinc/24/44/62/659244462.db2.gz SRKVIKMFBXCVJO-UHFFFAOYSA-N 0 0 307.191 3.126 10 30 DGEERN C=C(Br)COC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000171626812 659292214 /nfs/dbraw/zinc/29/22/14/659292214.db2.gz XILKPOIDCIDNFW-STQMWFEESA-N 0 0 311.175 3.251 10 30 DGEERN N#CCOc1ccc(CNC(=O)NC/C=C/c2ccccc2)cc1 ZINC000171853208 659301959 /nfs/dbraw/zinc/30/19/59/659301959.db2.gz WJEKLBULQDDBNA-QPJJXVBHSA-N 0 0 321.380 3.102 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC3(CCCC3)C2)ccc1Cl ZINC000173945694 659406070 /nfs/dbraw/zinc/40/60/70/659406070.db2.gz BBSRFVHCKYZYGD-UHFFFAOYSA-N 0 0 324.833 3.166 10 30 DGEERN C=CCSCCNc1nccn2nc(C(F)(F)F)cc12 ZINC000231955104 659406612 /nfs/dbraw/zinc/40/66/12/659406612.db2.gz POLIQFSYIUBFQO-UHFFFAOYSA-N 0 0 302.325 3.079 10 30 DGEERN C#CCCCNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000174112197 659414543 /nfs/dbraw/zinc/41/45/43/659414543.db2.gz 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C=CCC[C@H](C)OC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000089319078 662241732 /nfs/dbraw/zinc/24/17/32/662241732.db2.gz GTOUIYHYLVLWKT-LBPRGKRZSA-N 0 0 302.326 3.070 10 30 DGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000089319549 662241928 /nfs/dbraw/zinc/24/19/28/662241928.db2.gz FCACWFYGUAYEOZ-RDJZCZTQSA-N 0 0 315.413 3.118 10 30 DGEERN N#C[C@@H](COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)Cc1ccc(F)cc1 ZINC000246403891 662258047 /nfs/dbraw/zinc/25/80/47/662258047.db2.gz DLHOJSSUGADPIB-QMCVQRASSA-N 0 0 301.361 3.487 10 30 DGEERN COCC(C)(C)CCNc1ncc(Br)cc1C#N ZINC000718670556 662260366 /nfs/dbraw/zinc/26/03/66/662260366.db2.gz MSKBXZOZRYZWAV-UHFFFAOYSA-N 0 0 312.211 3.190 10 30 DGEERN CCOc1ccc(O)c(/C=N/CCCc2c(C)nn(C)c2C)c1 ZINC000091515564 662305372 /nfs/dbraw/zinc/30/53/72/662305372.db2.gz HGJJLLNDJQJHRC-XDHOZWIPSA-N 0 0 315.417 3.193 10 30 DGEERN C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000248196556 662336667 /nfs/dbraw/zinc/33/66/67/662336667.db2.gz 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/nfs/dbraw/zinc/70/73/77/1197707377.db2.gz VQCCBOCDIJTZRH-UHFFFAOYSA-N 0 0 324.096 3.315 10 30 DGEERN C=C[C@H](C)ONC(=O)c1ccc(Cl)cc1Br ZINC000400919276 1199374574 /nfs/dbraw/zinc/37/45/74/1199374574.db2.gz DYZHNBYOYACLEK-ZETCQYMHSA-N 0 0 304.571 3.338 10 30 DGEERN Cc1cc(C#N)cc(NC(=O)c2nscc2Br)c1 ZINC000404729061 1199579771 /nfs/dbraw/zinc/57/97/71/1199579771.db2.gz ATIIQQIJCWGELH-UHFFFAOYSA-N 0 0 322.187 3.338 10 30 DGEERN N#Cc1cccc(NC(=O)c2nscc2Br)c1 ZINC000404926163 1199587380 /nfs/dbraw/zinc/58/73/80/1199587380.db2.gz HQIPDFNMSLQZMU-UHFFFAOYSA-N 0 0 308.160 3.030 10 30 DGEERN CN(Cc1ccc(F)cc1)c1ncc(Br)cc1C#N ZINC000311951419 1199746389 /nfs/dbraw/zinc/74/63/89/1199746389.db2.gz JSYBBQJMPDREOY-UHFFFAOYSA-N 0 0 320.165 3.491 10 30 DGEERN N#Cc1ccc(Br)cc1NCCc1nccs1 ZINC000123266394 1200278342 /nfs/dbraw/zinc/27/83/42/1200278342.db2.gz QVSHQJRUGZSTLI-UHFFFAOYSA-N 0 0 308.204 3.432 10 30 DGEERN COCC1=CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123425532 1200280119 /nfs/dbraw/zinc/28/01/19/1200280119.db2.gz ATSYIVXTDWZCKL-UHFFFAOYSA-N 0 0 307.191 3.104 10 30 DGEERN C=CCCOCCNC(=O)NCc1ccccc1OC(C)(C)C ZINC000124908986 1200359076 /nfs/dbraw/zinc/35/90/76/1200359076.db2.gz WDNXOCRWXZHYGM-UHFFFAOYSA-N 0 0 320.433 3.256 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ncccc1N ZINC000132471338 1201172604 /nfs/dbraw/zinc/17/26/04/1201172604.db2.gz KCHDMLMUGDOHLI-UHFFFAOYSA-N 0 0 307.806 3.207 10 30 DGEERN N#Cc1ccc(OCc2cncc(Br)c2)cc1F ZINC000134481024 1201200869 /nfs/dbraw/zinc/20/08/69/1201200869.db2.gz ZYCOQESLQLOBKI-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C#CCN(C(=O)CCc1cn(C)c2ccccc12)c1nccs1 ZINC000154575762 1202597716 /nfs/dbraw/zinc/59/77/16/1202597716.db2.gz HYTCXJNQBNTMBJ-UHFFFAOYSA-N 0 0 323.421 3.234 10 30 DGEERN CO[C@@]1(C)CCCN(c2cc(Br)ccc2C#N)C1 ZINC000230264682 1202597755 /nfs/dbraw/zinc/59/77/55/1202597755.db2.gz OQCOBWFIUXLUMS-AWEZNQCLSA-N 0 0 309.207 3.326 10 30 DGEERN Clc1ccc(C#CCNc2ccc(-n3cncn3)cc2)cc1 ZINC000154740260 1202597883 /nfs/dbraw/zinc/59/78/83/1202597883.db2.gz XLFULNHDDNYLFP-UHFFFAOYSA-N 0 0 308.772 3.384 10 30 DGEERN CCN(C[C@@H](C)C#N)c1ccc(C#N)c(Br)c1F ZINC000231842943 1202600219 /nfs/dbraw/zinc/60/02/19/1202600219.db2.gz IXLTUXKAWLFUCH-VIFPVBQESA-N 0 0 310.170 3.446 10 30 DGEERN CCC[C@H](O)CNc1ccc(C#N)c(Br)c1F ZINC000231863982 1202600497 /nfs/dbraw/zinc/60/04/97/1202600497.db2.gz FZHZBINWTPXRIZ-VIFPVBQESA-N 0 0 301.159 3.033 10 30 DGEERN N#Cc1ccc(S(=O)(=O)CCSCC2CCCC2)cc1 ZINC000163306591 1203551563 /nfs/dbraw/zinc/55/15/63/1203551563.db2.gz ZGAKCKMKECMMQX-UHFFFAOYSA-N 0 0 309.456 3.255 10 30 DGEERN COc1ccc(/C(C)=C/C(=O)NCc2cccc(C#N)c2)cc1 ZINC000175501662 1203920386 /nfs/dbraw/zinc/92/03/86/1203920386.db2.gz WBOAYQILWWONHT-GXDHUFHOSA-N 0 0 306.365 3.287 10 30 DGEERN C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1cccc(C#N)c1 ZINC000175933616 1203922308 /nfs/dbraw/zinc/92/23/08/1203922308.db2.gz PJNCHMIWASDOOH-ZDUSSCGKSA-N 0 0 313.426 3.392 10 30 DGEERN Cn1ccnc1[C@@H](NCCCCC#N)c1ccccc1Cl ZINC000180640371 1204332946 /nfs/dbraw/zinc/33/29/46/1204332946.db2.gz HCQLBKSJMLAFAO-HNNXBMFYSA-N 0 0 302.809 3.446 10 30 DGEERN C#CCSCCN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000180645189 1204333524 /nfs/dbraw/zinc/33/35/24/1204333524.db2.gz BBWZAMQIHGTFJJ-OAHLLOKOSA-N 0 0 319.861 3.119 10 30 DGEERN CCC(O)(CC)CN(C)c1cc(Br)ccc1C#N ZINC000706413081 1081999365 /nfs/dbraw/zinc/99/93/65/1081999365.db2.gz HVUAYWANLIRSRM-UHFFFAOYSA-N 0 0 311.223 3.308 10 30 DGEERN CC(=Cc1ccc(C)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000588402207 1082143045 /nfs/dbraw/zinc/14/30/45/1082143045.db2.gz WWMZAONYROWXTJ-QBOMHBFWSA-N 0 0 319.364 3.141 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000588410382 1082169801 /nfs/dbraw/zinc/16/98/01/1082169801.db2.gz PDLXAWQAIVFNNJ-DJWKRKHSSA-N 0 0 312.321 3.068 10 30 DGEERN COc1ccc(O)cc1C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000588410412 1082170007 /nfs/dbraw/zinc/17/00/07/1082170007.db2.gz YDCZJTSISPLJJO-CLFYSBASSA-N 0 0 320.348 3.483 10 30 DGEERN COc1cc(/C=C2/Cc3ccccc3C2=O)cc2c1OCCO2 ZINC000211752810 1082213867 /nfs/dbraw/zinc/21/38/67/1082213867.db2.gz FAENDTKWKCDOCE-ZSOIEALJSA-N 0 0 308.333 3.289 10 30 DGEERN Cc1cccnc1C=CC(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000588456498 1082333840 /nfs/dbraw/zinc/33/38/40/1082333840.db2.gz PEGVDNZGXLCBRW-YXVBKTCISA-N 0 0 303.321 3.421 10 30 DGEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)C=Cc2ncccc2C)c1 ZINC000588456888 1082334695 /nfs/dbraw/zinc/33/46/95/1082334695.db2.gz ZKEYLLXCBSYTSW-HLRDLLSLSA-N 0 0 319.364 3.059 10 30 DGEERN Cc1nc(/C=C/c2cocn2)sc1C(=O)/C=C\c1cocn1 ZINC000588561379 1082636641 /nfs/dbraw/zinc/63/66/41/1082636641.db2.gz BHYFVTDFVLEUJG-VOERYJCWSA-N 0 0 313.338 3.494 10 30 DGEERN Cc1c(C(=O)/C=C\c2cocn2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000588578433 1082727511 /nfs/dbraw/zinc/72/75/11/1082727511.db2.gz CNJKJDDDLNNWGW-ARJAWSKDSA-N 0 0 317.257 3.004 10 30 DGEERN Cc1ccc2c(c1)C(=O)/C(=C/c1cn(C(C)(C)C)nn1)CCO2 ZINC000588579564 1082733319 /nfs/dbraw/zinc/73/33/19/1082733319.db2.gz QDCATQLLRLKDPS-JLHYYAGUSA-N 0 0 311.385 3.390 10 30 DGEERN C#CC[C@@H](COC)Nc1nccc2c(Br)cccc21 ZINC000716340031 1092105371 /nfs/dbraw/zinc/10/53/71/1092105371.db2.gz LRVXJGLBJKUYLJ-NSHDSACASA-N 0 0 319.202 3.448 10 30 DGEERN N#Cc1ccsc1NC(=O)c1nscc1Br ZINC000404792364 1094269152 /nfs/dbraw/zinc/26/91/52/1094269152.db2.gz FTKUJKGSLRWOJH-UHFFFAOYSA-N 0 0 314.189 3.091 10 30 DGEERN N#Cc1cccc2c1CN(C(=O)c1ccc(Br)o1)C2 ZINC000405106214 1094294266 /nfs/dbraw/zinc/29/42/66/1094294266.db2.gz YHMZLOKUYJJDHK-UHFFFAOYSA-N 0 0 317.142 3.070 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC000317232880 1095220441 /nfs/dbraw/zinc/22/04/41/1095220441.db2.gz DDGVZFQUUXUWMO-UHFFFAOYSA-N 0 0 300.333 3.059 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000278251436 214047489 /nfs/dbraw/zinc/04/74/89/214047489.db2.gz BWPHNRNRFZFOPL-IAGOWNOFSA-N 0 0 323.396 3.372 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000077442628 334927181 /nfs/dbraw/zinc/92/71/81/334927181.db2.gz RKNYFJMOUFWLEB-UHFFFAOYSA-N 0 0 308.378 3.142 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000278286838 214068864 /nfs/dbraw/zinc/06/88/64/214068864.db2.gz QHEIWAFWZAZHLE-CHWSQXEVSA-N 0 0 310.191 3.369 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F ZINC000278322416 214088580 /nfs/dbraw/zinc/08/85/80/214088580.db2.gz IUZBYIWZJRDEHF-OAHLLOKOSA-N 0 0 323.314 3.078 10 30 DGEERN C#CCC(CC#C)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC000278778940 214396434 /nfs/dbraw/zinc/39/64/34/214396434.db2.gz HFHLTDNCJQNDCM-ZDUSSCGKSA-N 0 0 302.443 3.196 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000278801355 214411740 /nfs/dbraw/zinc/41/17/40/214411740.db2.gz REVJCTOVAZSEPO-IAGOWNOFSA-N 0 0 317.404 3.246 10 30 DGEERN CC[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1[C@@H](O)CC2=O ZINC000253617740 529445527 /nfs/dbraw/zinc/44/55/27/529445527.db2.gz NANJFPZFEUIDND-ZFSNVMTLSA-N 0 0 302.414 3.058 10 30 DGEERN CC[C@@H](CC(F)(F)F)NC(=O)NCC1CCC(C#N)CC1 ZINC000440996644 529457551 /nfs/dbraw/zinc/45/75/51/529457551.db2.gz HLEIKLKNKCOAAB-MCIGGMRASA-N 0 0 305.344 3.347 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000278221222 214030683 /nfs/dbraw/zinc/03/06/83/214030683.db2.gz JBVXBYRHDQQLSM-ZIAGYGMSSA-N 0 0 313.319 3.303 10 30 DGEERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccc(OC)cc1 ZINC000302707344 529676637 /nfs/dbraw/zinc/67/66/37/529676637.db2.gz HFDMKLYHTDVWDB-ZDUSSCGKSA-N 0 0 312.329 3.433 10 30 DGEERN CCc1ccc(O)c(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188931316 529692618 /nfs/dbraw/zinc/69/26/18/529692618.db2.gz LBJDFQQVCULLMF-UHFFFAOYSA-N 0 0 306.365 3.497 10 30 DGEERN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000092666866 185332707 /nfs/dbraw/zinc/33/27/07/185332707.db2.gz FGANFKACNNCKCG-QGZVFWFLSA-N 0 0 314.360 3.472 10 30 DGEERN Cc1ccc(C#N)cc1NCC(=O)Nc1cc(F)cc(F)c1 ZINC000063889720 432007633 /nfs/dbraw/zinc/00/76/33/432007633.db2.gz XBRBCEXGLALYQE-UHFFFAOYSA-N 0 0 301.296 3.196 10 30 DGEERN CN(C)c1ccncc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000183524756 529799911 /nfs/dbraw/zinc/79/99/11/529799911.db2.gz JWGVTWPCEWCMHH-UHFFFAOYSA-N 0 0 324.384 3.082 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1ncc(C(C)(C)C)s1 ZINC000279331909 214799105 /nfs/dbraw/zinc/79/91/05/214799105.db2.gz QEXPQFWRWKESQV-BXUZGUMPSA-N 0 0 309.431 3.465 10 30 DGEERN CN(C)c1nc2ccc(NC(=O)[C@]3(C)CCC(=O)NC3)cc2o1 ZINC000328651761 282316824 /nfs/dbraw/zinc/31/68/24/282316824.db2.gz JTOBYNSOEQFPAK-MRXNPFEDSA-N 0 0 316.361 3.238 10 30 DGEERN COc1ccccc1CCN(C)C(=O)Nc1ccc(CC#N)cc1 ZINC000104985810 432017809 /nfs/dbraw/zinc/01/78/09/432017809.db2.gz HQMFRVBYFQNJSU-UHFFFAOYSA-N 0 0 323.396 3.468 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 ZINC000066712970 432019835 /nfs/dbraw/zinc/01/98/35/432019835.db2.gz SKXBBLHIOCNCHW-KSSFIOAISA-N 0 0 306.365 3.160 10 30 DGEERN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000272564701 209983208 /nfs/dbraw/zinc/98/32/08/209983208.db2.gz KDMDGSSLQGZCCL-GOEBONIOSA-N 0 0 315.417 3.128 10 30 DGEERN C[C@@H](Nc1cnc(C#N)cn1)c1cccc(Br)c1 ZINC000083647121 192376265 /nfs/dbraw/zinc/37/62/65/192376265.db2.gz BZZLOHBZCPXQIO-SECBINFHSA-N 0 0 303.163 3.284 10 30 DGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1CCOc1cccc(C#N)c1 ZINC000066851611 432022692 /nfs/dbraw/zinc/02/26/92/432022692.db2.gz VCIBSYBJBKQQIB-UZLBHIALSA-N 0 0 322.408 3.399 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000279960537 215272563 /nfs/dbraw/zinc/27/25/63/215272563.db2.gz HCRJEJGQUCNHIN-LBPRGKRZSA-N 0 0 304.390 3.114 10 30 DGEERN Cc1cc(N[C@H]2CCCC[C@H]2O)n2c3ccccc3nc2c1C#N ZINC000072085455 191036055 /nfs/dbraw/zinc/03/60/55/191036055.db2.gz NHPAOCUPZZODCF-DOTOQJQBSA-N 0 0 320.396 3.383 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)C2CCCC2)cc1 ZINC000172209391 198058226 /nfs/dbraw/zinc/05/82/26/198058226.db2.gz UVFBPIBIHAYVQO-ZDUSSCGKSA-N 0 0 315.417 3.303 10 30 DGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1cccnc1 ZINC000173876836 198263210 /nfs/dbraw/zinc/26/32/10/198263210.db2.gz ULKOGQSYGFZTMX-HNNXBMFYSA-N 0 0 307.397 3.496 10 30 DGEERN C=CCn1c2ccccc2nc1SCC(=O)NC(C)(C)C ZINC000004485624 181113719 /nfs/dbraw/zinc/11/37/19/181113719.db2.gz KSTRGVZQGUOULV-UHFFFAOYSA-N 0 0 303.431 3.229 10 30 DGEERN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000236807595 202020455 /nfs/dbraw/zinc/02/04/55/202020455.db2.gz XCNPPCZENPTIOP-UHFFFAOYSA-N 0 0 312.369 3.396 10 30 DGEERN COc1cc(C=NNc2ccc(C)cc2)cc(OC)c1OC ZINC000004925480 181173943 /nfs/dbraw/zinc/17/39/43/181173943.db2.gz PVPXUAITIPNEMI-WOJGMQOQSA-N 0 0 300.358 3.467 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000179198568 432049288 /nfs/dbraw/zinc/04/92/88/432049288.db2.gz URBLEEFEICWNML-GFCCVEGCSA-N 0 0 315.335 3.451 10 30 DGEERN CCCC(=O)Oc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000164529516 432049316 /nfs/dbraw/zinc/04/93/16/432049316.db2.gz RWWNQUAYWZKHRN-UHFFFAOYSA-N 0 0 309.321 3.483 10 30 DGEERN N#CC1(NC(=O)COc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000005169962 181212905 /nfs/dbraw/zinc/21/29/05/181212905.db2.gz SJMUJHHEMGVEOZ-UHFFFAOYSA-N 0 0 312.291 3.037 10 30 DGEERN Cc1nc(N2CCOCC2)sc1C(=O)/C=C/c1cccs1 ZINC000005212171 181217591 /nfs/dbraw/zinc/21/75/91/181217591.db2.gz RRYIHNJBQLAGAP-SNAWJCMRSA-N 0 0 320.439 3.246 10 30 DGEERN O=[N+]([O-])c1oc2ccccc2c1NNc1ccccc1Cl ZINC000005258480 181223016 /nfs/dbraw/zinc/22/30/16/181223016.db2.gz WXCGYNAHQZHEDP-INQVIGDZSA-N 0 0 303.705 3.151 10 30 DGEERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1cc(C#N)ccn1 ZINC000085333713 192491744 /nfs/dbraw/zinc/49/17/44/192491744.db2.gz DQZOHCOJCSGMQL-ZDUSSCGKSA-N 0 0 319.430 3.445 10 30 DGEERN N#Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000090567735 283200397 /nfs/dbraw/zinc/20/03/97/283200397.db2.gz PWTDPIJUUDHPHZ-UHFFFAOYSA-N 0 0 324.321 3.328 10 30 DGEERN COc1ccc(OC)c(CN(Cc2ccc(C#N)o2)C2CC2)c1 ZINC000133397264 432063253 /nfs/dbraw/zinc/06/32/53/432063253.db2.gz FHDLKLGIXLHXJU-UHFFFAOYSA-N 0 0 312.369 3.333 10 30 DGEERN C#CCCCCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000179671343 432066858 /nfs/dbraw/zinc/06/68/58/432066858.db2.gz JSVZDTPBCCYJLT-INIZCTEOSA-N 0 0 312.413 3.057 10 30 DGEERN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000168700003 432069707 /nfs/dbraw/zinc/06/97/07/432069707.db2.gz ZPTQSZXEIGXSJP-JTQLQIEISA-N 0 0 312.822 3.069 10 30 DGEERN Cc1cc(Cn2ccnc2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000179871410 432072990 /nfs/dbraw/zinc/07/29/90/432072990.db2.gz QHBADJGCKKKVKU-UHFFFAOYSA-N 0 0 309.760 3.222 10 30 DGEERN CC(C)c1ccc([C@H](NC(=O)Cn2ccnc2C#N)C(C)C)cc1 ZINC000179878338 432072740 /nfs/dbraw/zinc/07/27/40/432072740.db2.gz UZDYEVLYQIKSDZ-LJQANCHMSA-N 0 0 324.428 3.392 10 30 DGEERN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(C#N)o1 ZINC000179609766 199063996 /nfs/dbraw/zinc/06/39/96/199063996.db2.gz UBLPXPMCEIYMQN-UHFFFAOYSA-N 0 0 311.385 3.310 10 30 DGEERN C=CCCCN(C)C(=O)CCOCC(F)(F)C(F)(F)F ZINC000276699752 213054084 /nfs/dbraw/zinc/05/40/84/213054084.db2.gz WPIORBQZRKFYSK-UHFFFAOYSA-N 0 0 303.271 3.015 10 30 DGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CC(C)C ZINC000185186966 199821268 /nfs/dbraw/zinc/82/12/68/199821268.db2.gz WGWQZXFHLIXPLE-OAHLLOKOSA-N 0 0 302.418 3.215 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)CCCCNC(N)=O ZINC000276599149 212989770 /nfs/dbraw/zinc/98/97/70/212989770.db2.gz LPCSFPXIELGOEW-UHFFFAOYSA-N 0 0 317.433 3.316 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)C1CCC(C(=O)OC)CC1 ZINC000180175084 432080410 /nfs/dbraw/zinc/08/04/10/432080410.db2.gz PDLHQTBKMOKBHN-UHFFFAOYSA-N 0 0 322.449 3.144 10 30 DGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C2CCC2)ccc1Cl ZINC000170873379 432085781 /nfs/dbraw/zinc/08/57/81/432085781.db2.gz MEIBOLBJZYBXSE-HNNXBMFYSA-N 0 0 324.833 3.165 10 30 DGEERN Cc1cc(C)c(C)c(OCCC(=O)Nc2cc(C#N)ccn2)c1 ZINC000435989820 238379542 /nfs/dbraw/zinc/37/95/42/238379542.db2.gz APNVBSBIJQCFBW-UHFFFAOYSA-N 0 0 309.369 3.286 10 30 DGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000193496883 201063025 /nfs/dbraw/zinc/06/30/25/201063025.db2.gz DOOFZIKADFHWFO-AWEZNQCLSA-N 0 0 320.396 3.044 10 30 DGEERN CCNC(=S)N/N=C/c1ccc(N(C)c2ccccc2)cc1 ZINC000006418238 181339882 /nfs/dbraw/zinc/33/98/82/181339882.db2.gz SHRLMSOCJDSUNZ-CPNJWEJPSA-N 0 0 312.442 3.272 10 30 DGEERN C[C@H]1CCCC[C@@H]1OCCNC(=O)NCC1CCC(C#N)CC1 ZINC000441006986 239000164 /nfs/dbraw/zinc/00/01/64/239000164.db2.gz GQAZZEDVZZFSRD-OTBWCIGPSA-N 0 0 321.465 3.211 10 30 DGEERN CS[C@@H](CNC(=O)NCC1CCC(C#N)CC1)C(C)(C)C ZINC000440987355 239001356 /nfs/dbraw/zinc/00/13/56/239001356.db2.gz HNZHWMNRDXNKOU-RUXDESIVSA-N 0 0 311.495 3.393 10 30 DGEERN COc1cc(Cl)c(C)cc1NC(=O)c1ccnc(C#N)c1 ZINC000194985954 201321078 /nfs/dbraw/zinc/32/10/78/201321078.db2.gz PMELQIUOOQSVIP-UHFFFAOYSA-N 0 0 301.733 3.176 10 30 DGEERN CCOc1ccc(OCC)c(NC(=O)c2ccnc(C#N)c2)c1 ZINC000195107672 201340534 /nfs/dbraw/zinc/34/05/34/201340534.db2.gz ZBDGQGNOXLSPTE-UHFFFAOYSA-N 0 0 311.341 3.003 10 30 DGEERN Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C#N)n2C)cc1 ZINC000448982624 239953947 /nfs/dbraw/zinc/95/39/47/239953947.db2.gz DCOBMBMOEFPASQ-INIZCTEOSA-N 0 0 307.397 3.053 10 30 DGEERN COc1ccc(CSCc2nnc(C3CC3)n2C)cc1C#N ZINC000091037240 192974509 /nfs/dbraw/zinc/97/45/09/192974509.db2.gz BDHPUWQWYSPICI-UHFFFAOYSA-N 0 0 314.414 3.006 10 30 DGEERN CCCCn1ncc(NC(=O)c2ccc(C#N)n2C)c1C(C)C ZINC000451144247 241019691 /nfs/dbraw/zinc/01/96/91/241019691.db2.gz HMNDPAXUIFXUSG-UHFFFAOYSA-N 0 0 313.405 3.269 10 30 DGEERN N#Cc1ccc(F)c(CS(=O)(=O)NCC2CCCCCC2)c1 ZINC000451814441 241243303 /nfs/dbraw/zinc/24/33/03/241243303.db2.gz ULSGQBHVPGVISA-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN C=CCCS(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000452058641 241307665 /nfs/dbraw/zinc/30/76/65/241307665.db2.gz YEHRGBSFQCEBNP-AWEZNQCLSA-N 0 0 301.358 3.008 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000452190003 241346594 /nfs/dbraw/zinc/34/65/94/241346594.db2.gz WZSKOSWHFQLFMA-BZNIZROVSA-N 0 0 309.356 3.440 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000081539022 283920152 /nfs/dbraw/zinc/92/01/52/283920152.db2.gz NGWQXYHVNSBERX-UHFFFAOYSA-N 0 0 311.360 3.088 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cccc(COC2CCOCC2)c1 ZINC000452776977 241515856 /nfs/dbraw/zinc/51/58/56/241515856.db2.gz TVFOTRFARIGTAT-UHFFFAOYSA-N 0 0 317.429 3.324 10 30 DGEERN C=C(CC)CNC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000454275078 241908900 /nfs/dbraw/zinc/90/89/00/241908900.db2.gz RLVBNTXMKMXJBQ-UHFFFAOYSA-N 0 0 308.451 3.217 10 30 DGEERN C=CCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246252324 432112029 /nfs/dbraw/zinc/11/20/29/432112029.db2.gz GTDGBQDYLYQJNY-GOEBONIOSA-N 0 0 310.800 3.307 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000455309134 242165126 /nfs/dbraw/zinc/16/51/26/242165126.db2.gz KXDBOZQXNGAQGX-MRXNPFEDSA-N 0 0 302.418 3.378 10 30 DGEERN C=C(C)CCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000455320594 242169353 /nfs/dbraw/zinc/16/93/53/242169353.db2.gz HQKLZLFKUHFDBB-OAHLLOKOSA-N 0 0 316.449 3.075 10 30 DGEERN C=C(C)CCNC(=O)N1CCCN(c2ccccc2F)CC1 ZINC000455328204 242171048 /nfs/dbraw/zinc/17/10/48/242171048.db2.gz REBRTTYABXYVEZ-UHFFFAOYSA-N 0 0 305.397 3.014 10 30 DGEERN CC#CCN(C)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000455392361 242189246 /nfs/dbraw/zinc/18/92/46/242189246.db2.gz NXRZJAJDQHZWSC-UHFFFAOYSA-N 0 0 307.397 3.468 10 30 DGEERN C=C(CC)CNC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000455518360 242224046 /nfs/dbraw/zinc/22/40/46/242224046.db2.gz GFSNDZWOWHBMPS-GFCCVEGCSA-N 0 0 311.451 3.348 10 30 DGEERN C=C(CC)CNC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000455518361 242224053 /nfs/dbraw/zinc/22/40/53/242224053.db2.gz GFSNDZWOWHBMPS-LBPRGKRZSA-N 0 0 311.451 3.348 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)COCc1cccc(Cl)c1 ZINC000457514662 242790433 /nfs/dbraw/zinc/79/04/33/242790433.db2.gz MTQYIMCNQOQBDI-UHFFFAOYSA-N 0 0 321.726 3.434 10 30 DGEERN C=CCC[C@@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000458571154 243092883 /nfs/dbraw/zinc/09/28/83/243092883.db2.gz KVFCNQAVYIBLCR-GVDBMIGSSA-N 0 0 302.418 3.154 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC[C@](O)(C(F)F)C1)c1ccccc1 ZINC000458577447 243094341 /nfs/dbraw/zinc/09/43/41/243094341.db2.gz OVAASVAHZZOACN-RHSMWYFYSA-N 0 0 324.371 3.105 10 30 DGEERN C=C(CNC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000458769345 243152861 /nfs/dbraw/zinc/15/28/61/243152861.db2.gz WUTUQDXZHIRSLQ-SJLPKXTDSA-N 0 0 316.445 3.450 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458937141 243206324 /nfs/dbraw/zinc/20/63/24/243206324.db2.gz AEPQXCDHRMWTAH-AVGNSLFASA-N 0 0 322.371 3.124 10 30 DGEERN C[C@H]1CN(C(=O)NCC(C)(C)CC#N)C[C@@H](c2ccccc2)O1 ZINC000459261647 243304721 /nfs/dbraw/zinc/30/47/21/243304721.db2.gz SCWVLMJFBIVFME-HOCLYGCPSA-N 0 0 315.417 3.098 10 30 DGEERN N#Cc1ccc(N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)nc1 ZINC000459305251 243326246 /nfs/dbraw/zinc/32/62/46/243326246.db2.gz HREHGJNUEBBHCX-UHFFFAOYSA-N 0 0 318.424 3.153 10 30 DGEERN N#Cc1ccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)o1 ZINC000092973782 193190813 /nfs/dbraw/zinc/19/08/13/193190813.db2.gz NTJUMKHPEKGDMB-INIZCTEOSA-N 0 0 304.296 3.003 10 30 DGEERN Cc1ccc(OCCCNC(=O)c2ccc(C#N)cc2C)cc1 ZINC000118989640 284131558 /nfs/dbraw/zinc/13/15/58/284131558.db2.gz JJCXJSOJVRUCNC-UHFFFAOYSA-N 0 0 308.381 3.374 10 30 DGEERN C[C@H]1c2ccccc2CCN1Cc1cnc2ccc(C#N)cn12 ZINC000093149413 193207993 /nfs/dbraw/zinc/20/79/93/193207993.db2.gz JCMOADPSZQWJLL-AWEZNQCLSA-N 0 0 302.381 3.325 10 30 DGEERN C=CCCCCNC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000474073488 244368189 /nfs/dbraw/zinc/36/81/89/244368189.db2.gz MNFXZAQHMCAHSC-AWEZNQCLSA-N 0 0 310.438 3.106 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](C)C2 ZINC000181252046 432120282 /nfs/dbraw/zinc/12/02/82/432120282.db2.gz ASEZPTWNUIKOSF-XOBRGWDASA-N 0 0 304.393 3.459 10 30 DGEERN Cc1cc(NC(=O)c2ccc(C#N)cc2C)n(-c2ccccn2)n1 ZINC000120129167 284161952 /nfs/dbraw/zinc/16/19/52/284161952.db2.gz XUURAPUCKGMNMF-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN COc1cc(Cl)ccc1CNC(=O)c1ccc(C#N)cc1C ZINC000121758744 284205366 /nfs/dbraw/zinc/20/53/66/284205366.db2.gz GUJGLFXCKJMYRQ-UHFFFAOYSA-N 0 0 314.772 3.459 10 30 DGEERN CN(C1(C)CCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000486961017 245004954 /nfs/dbraw/zinc/00/49/54/245004954.db2.gz ZUSGETNEZDEWCC-UHFFFAOYSA-N 0 0 312.822 3.165 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000487676425 245090991 /nfs/dbraw/zinc/09/09/91/245090991.db2.gz RWJHJDWHWOPDLR-LBPRGKRZSA-N 0 0 301.390 3.065 10 30 DGEERN C=C1CCN(C(=O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC000264204921 203766884 /nfs/dbraw/zinc/76/68/84/203766884.db2.gz UMGLMKTXGICFBG-SNAWJCMRSA-N 0 0 301.386 3.286 10 30 DGEERN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000181325447 432124502 /nfs/dbraw/zinc/12/45/02/432124502.db2.gz OPHLECNZKOFDHQ-CYBMUJFWSA-N 0 0 316.364 3.439 10 30 DGEERN N#Cc1ccc(NCC(=O)Nc2cccc(F)c2)cc1Cl ZINC000011721294 181700809 /nfs/dbraw/zinc/70/08/09/181700809.db2.gz PHJLRRXIEGOYTF-UHFFFAOYSA-N 0 0 303.724 3.401 10 30 DGEERN C=C(C)CN1c2cc(NC(=O)CCC)ccc2O[C@@H](C)C1=O ZINC000012296045 181745959 /nfs/dbraw/zinc/74/59/59/181745959.db2.gz MZKYIQCXIGHAPE-LBPRGKRZSA-N 0 0 302.374 3.115 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000278191217 214015224 /nfs/dbraw/zinc/01/52/24/214015224.db2.gz DPIDQGPKWMAAFT-ZIAGYGMSSA-N 0 0 324.218 3.047 10 30 DGEERN N#Cc1cc(F)c(N2CC[C@H](CNc3ccccn3)C2)c(F)c1 ZINC000171364720 432125388 /nfs/dbraw/zinc/12/53/88/432125388.db2.gz ANUKOCFLLFTTBI-GFCCVEGCSA-N 0 0 314.339 3.170 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000126333977 284300900 /nfs/dbraw/zinc/30/09/00/284300900.db2.gz HEQWVKIHERSFQF-UHFFFAOYSA-N 0 0 309.344 3.102 10 30 DGEERN CCCCc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)n[nH]1 ZINC000126660416 284312938 /nfs/dbraw/zinc/31/29/38/284312938.db2.gz OMFLOOULIZLXTK-LBPRGKRZSA-N 0 0 312.373 3.030 10 30 DGEERN C=CCNC(=S)Nc1cccc(C(=O)N(CCC)CCC)c1 ZINC000014569390 181959923 /nfs/dbraw/zinc/95/99/23/181959923.db2.gz GOGAOYAGJBITBY-UHFFFAOYSA-N 0 0 319.474 3.421 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 ZINC000171382601 432129064 /nfs/dbraw/zinc/12/90/64/432129064.db2.gz NOSYNXUPTUPNFI-HNNXBMFYSA-N 0 0 317.389 3.036 10 30 DGEERN CCn1cc(C2CCN(Cc3ccc(F)cc3C#N)CC2)cn1 ZINC000171382680 432129180 /nfs/dbraw/zinc/12/91/80/432129180.db2.gz ZXHOIBRLSDJPRD-UHFFFAOYSA-N 0 0 312.392 3.293 10 30 DGEERN C=CCCCN(C)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000135108053 335019707 /nfs/dbraw/zinc/01/97/07/335019707.db2.gz PLDZQXFOOSJFLD-CQSZACIVSA-N 0 0 320.458 3.167 10 30 DGEERN CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccc(O)cc1 ZINC000016904530 182063939 /nfs/dbraw/zinc/06/39/39/182063939.db2.gz KOKZVVOMZAXGOP-FEGCFHEDSA-N 0 0 311.366 3.021 10 30 DGEERN O=C(C(=NNc1ccccc1)C(=O)C(F)(F)F)c1ccccc1 ZINC000017118059 182075749 /nfs/dbraw/zinc/07/57/49/182075749.db2.gz SYDYPXZOGXVAFW-FYJGNVAPSA-N 0 0 320.270 3.469 10 30 DGEERN N#CCC[C@H](C#N)CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246436829 432129786 /nfs/dbraw/zinc/12/97/86/432129786.db2.gz CXSAIVOYNQLQHI-JLSDUUJJSA-N 0 0 315.392 3.157 10 30 DGEERN N#Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128966851 284392920 /nfs/dbraw/zinc/39/29/20/284392920.db2.gz BZJWTVQMTPUWMG-HNNXBMFYSA-N 0 0 318.298 3.462 10 30 DGEERN CN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1 ZINC000020315015 182205827 /nfs/dbraw/zinc/20/58/27/182205827.db2.gz UMXRCRKTCZAVQC-QFQMRYFISA-N 0 0 319.360 3.294 10 30 DGEERN N#C[C@H](C(=O)NC1CCCCC1)C(=S)Nc1ccccc1 ZINC000022130359 182310028 /nfs/dbraw/zinc/31/00/28/182310028.db2.gz XBAMGOPCVTZYJS-CQSZACIVSA-N 0 0 301.415 3.015 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000494509950 246157638 /nfs/dbraw/zinc/15/76/38/246157638.db2.gz VPCXTARDCGRPAJ-OCCSQVGLSA-N 0 0 315.335 3.036 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000271827830 209250006 /nfs/dbraw/zinc/25/00/06/209250006.db2.gz RGPRHLZKFRXCEO-WFASDCNBSA-N 0 0 306.362 3.143 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(c1ncc(C(=O)OC)s1)C1CC1 ZINC000274373855 211557837 /nfs/dbraw/zinc/55/78/37/211557837.db2.gz WVTJWMHKLUUNBJ-JTQLQIEISA-N 0 0 308.403 3.027 10 30 DGEERN Cc1ccc(C(=O)NCC2CC2)cc1NCc1ccc(C#N)o1 ZINC000190360626 432148017 /nfs/dbraw/zinc/14/80/17/432148017.db2.gz MXBWRDPZKQFVBP-UHFFFAOYSA-N 0 0 309.369 3.212 10 30 DGEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000040307188 183053500 /nfs/dbraw/zinc/05/35/00/183053500.db2.gz MUOIULRZLTXJQA-UHFFFAOYSA-N 0 0 321.380 3.014 10 30 DGEERN C=CCNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040598736 183107949 /nfs/dbraw/zinc/10/79/49/183107949.db2.gz NRNZVFBEIWUMOA-UHFFFAOYSA-N 0 0 305.725 3.380 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000274279619 211481296 /nfs/dbraw/zinc/48/12/96/211481296.db2.gz KGOVXRLMWLAJPN-CJNGLKHVSA-N 0 0 315.392 3.367 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000287241711 335042347 /nfs/dbraw/zinc/04/23/47/335042347.db2.gz JECUBLOQQBTYKO-GFCCVEGCSA-N 0 0 318.214 3.289 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000287243736 335042445 /nfs/dbraw/zinc/04/24/45/335042445.db2.gz GNJKFWFCEBQYTA-QFBILLFUSA-N 0 0 321.424 3.419 10 30 DGEERN S=C(N/N=C\c1c[nH]c2ccccc12)NC1CCCCC1 ZINC000106383605 194205149 /nfs/dbraw/zinc/20/51/49/194205149.db2.gz POXSWKPALNREHK-WQRHYEAKSA-N 0 0 300.431 3.299 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C#N)cc1 ZINC000106505159 194220141 /nfs/dbraw/zinc/22/01/41/194220141.db2.gz PRTNSVIOKJPYMU-MRXNPFEDSA-N 0 0 301.390 3.371 10 30 DGEERN N#Cc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)nc1 ZINC000110289174 194320229 /nfs/dbraw/zinc/32/02/29/194320229.db2.gz HWBGKMLXYGCZIS-UHFFFAOYSA-N 0 0 323.743 3.045 10 30 DGEERN N#Cc1ccc(NC[C@H]2COc3ccccc3O2)cc1Cl ZINC000110676783 194349314 /nfs/dbraw/zinc/34/93/14/194349314.db2.gz GTFFOVKZMZYUHA-ZDUSSCGKSA-N 0 0 300.745 3.464 10 30 DGEERN CC(C)COC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000055339812 183981451 /nfs/dbraw/zinc/98/14/51/183981451.db2.gz VYRBROGDVVFXMP-UHFFFAOYSA-N 0 0 301.390 3.227 10 30 DGEERN CC[C@H]1S/C(=N\N=C\c2ccc(C(C)(C)C)cc2)NC1=O ZINC000059434421 184138582 /nfs/dbraw/zinc/13/85/82/184138582.db2.gz IUDKVGLPCOIFCH-VGSSETLESA-N 0 0 303.431 3.316 10 30 DGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892219 184192936 /nfs/dbraw/zinc/19/29/36/184192936.db2.gz OKMWVAHERGOLNT-PWSUYJOCSA-N 0 0 324.178 3.139 10 30 DGEERN Cc1ccc(CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)s1 ZINC000112832932 194526236 /nfs/dbraw/zinc/52/62/36/194526236.db2.gz VOIIMTGNWGTMIJ-UHFFFAOYSA-N 0 0 322.393 3.295 10 30 DGEERN C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000165701892 207590810 /nfs/dbraw/zinc/59/08/10/207590810.db2.gz ISOJACZTAWJAHD-WBMJQRKESA-N 0 0 307.353 3.244 10 30 DGEERN Cc1nc(C)c(C#N)c(SCc2nc(C3CCCC3)no2)n1 ZINC000119089639 194971885 /nfs/dbraw/zinc/97/18/85/194971885.db2.gz LCCFBNUMQSGZCV-UHFFFAOYSA-N 0 0 315.402 3.298 10 30 DGEERN N#Cc1cc(Cl)cc(Br)c1NCCCCO ZINC000336670642 252995477 /nfs/dbraw/zinc/99/54/77/252995477.db2.gz HTIWIDTZCCQYHY-UHFFFAOYSA-N 0 0 303.587 3.159 10 30 DGEERN COCCCNc1c(Br)cc(Cl)cc1C#N ZINC000336777419 253001269 /nfs/dbraw/zinc/00/12/69/253001269.db2.gz IKELENIEZUVGTL-UHFFFAOYSA-N 0 0 303.587 3.423 10 30 DGEERN COC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000180234973 533078898 /nfs/dbraw/zinc/07/88/98/533078898.db2.gz KIWBOJQTCNCMKD-SFHVURJKSA-N 0 0 320.392 3.359 10 30 DGEERN C[C@H](SC1CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000131489332 299575210 /nfs/dbraw/zinc/57/52/10/299575210.db2.gz DVMIXGSRLFEPSQ-AWEZNQCLSA-N 0 0 318.442 3.234 10 30 DGEERN N#Cc1ccc(F)cc1CN1CCO[C@H](c2cccs2)C1 ZINC000157405256 197185170 /nfs/dbraw/zinc/18/51/70/197185170.db2.gz IFONHBBKHFEATI-HNNXBMFYSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1F ZINC000343769785 254186471 /nfs/dbraw/zinc/18/64/71/254186471.db2.gz JZGFCNJADDPZIJ-WMZOPIPTSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCOCCCC(=O)Oc1cc(F)ccc1Br ZINC000155317353 197042980 /nfs/dbraw/zinc/04/29/80/197042980.db2.gz HPNWKXXNQWATJM-UHFFFAOYSA-N 0 0 317.154 3.476 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000155017104 197014015 /nfs/dbraw/zinc/01/40/15/197014015.db2.gz SRCVXUXWBCLWEB-ZWKOTPCHSA-N 0 0 314.429 3.088 10 30 DGEERN C#CCCCCNC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000154394992 196963294 /nfs/dbraw/zinc/96/32/94/196963294.db2.gz NJLNJQSLRLJFKA-CYBMUJFWSA-N 0 0 304.438 3.110 10 30 DGEERN N#Cc1cccnc1N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000120416475 195162416 /nfs/dbraw/zinc/16/24/16/195162416.db2.gz NOFINLYOGCWRMA-AWEZNQCLSA-N 0 0 314.776 3.049 10 30 DGEERN COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000120884611 195256913 /nfs/dbraw/zinc/25/69/13/195256913.db2.gz IUPFBSLMVANNKC-KRWDZBQOSA-N 0 0 324.428 3.254 10 30 DGEERN CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120885379 195257250 /nfs/dbraw/zinc/25/72/50/195257250.db2.gz XOFIHFZVZMHNHN-KRWDZBQOSA-N 0 0 324.428 3.163 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000271609468 209055184 /nfs/dbraw/zinc/05/51/84/209055184.db2.gz ZPWBBFRAOHAUDD-RHSMWYFYSA-N 0 0 320.433 3.379 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645908 209089566 /nfs/dbraw/zinc/08/95/66/209089566.db2.gz TUUVLPXXIHFXKT-ZIAGYGMSSA-N 0 0 319.405 3.059 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645899 209089077 /nfs/dbraw/zinc/08/90/77/209089077.db2.gz TUUVLPXXIHFXKT-KBPBESRZSA-N 0 0 319.405 3.059 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2ccc(Cn3cncn3)cc2)no1 ZINC000288947881 335059049 /nfs/dbraw/zinc/05/90/49/335059049.db2.gz KEOVINQGQMWUTB-ZDUSSCGKSA-N 0 0 309.373 3.446 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2cccc(NS(C)(=O)=O)c2)no1 ZINC000288944306 335059130 /nfs/dbraw/zinc/05/91/30/335059130.db2.gz JVLVUHKCKVVMIR-NSHDSACASA-N 0 0 321.402 3.178 10 30 DGEERN CCCCCOc1ccc(C=NN2CN=NC2=S)cc1OC ZINC000001916012 257211498 /nfs/dbraw/zinc/21/14/98/257211498.db2.gz QWCSJVXSSAXSAP-YVLHZVERSA-N 0 0 320.418 3.027 10 30 DGEERN CCc1nccn1[C@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 ZINC000122917317 195520506 /nfs/dbraw/zinc/52/05/06/195520506.db2.gz LTDMJSOLJVYDCK-HNNXBMFYSA-N 0 0 309.417 3.171 10 30 DGEERN COCCN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[C@H](C)C1 ZINC000442738578 533308005 /nfs/dbraw/zinc/30/80/05/533308005.db2.gz OTTNUZIRBVVXOM-OTBWCIGPSA-N 0 0 321.465 3.163 10 30 DGEERN COCCN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000442738582 533308401 /nfs/dbraw/zinc/30/84/01/533308401.db2.gz OTTNUZIRBVVXOM-RDHHWEPZSA-N 0 0 321.465 3.163 10 30 DGEERN C[C@H](CC(=O)N(C)CCC#N)c1ccc(Br)cc1 ZINC000162079692 533620920 /nfs/dbraw/zinc/62/09/20/533620920.db2.gz ONNFKRGEHGQWGV-LLVKDONJSA-N 0 0 309.207 3.315 10 30 DGEERN COc1cc(C)cc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000181576780 533639464 /nfs/dbraw/zinc/63/94/64/533639464.db2.gz JOXOTCKBRAIPLC-UHFFFAOYSA-N 0 0 320.392 3.489 10 30 DGEERN COc1cc(C)ccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181554601 533666103 /nfs/dbraw/zinc/66/61/03/533666103.db2.gz FTOXXWCPFWBBBA-UHFFFAOYSA-N 0 0 320.392 3.489 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCCC[C@H]1CCC ZINC000616114800 400085668 /nfs/dbraw/zinc/08/56/68/400085668.db2.gz DRFXUOASPPBMMT-ZACQAIPSSA-N 0 0 308.466 3.180 10 30 DGEERN CC(=O)c1cccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000584688068 400088950 /nfs/dbraw/zinc/08/89/50/400088950.db2.gz BACBGOWZZIZLHH-UHFFFAOYSA-N 0 0 318.376 3.374 10 30 DGEERN CC#CCCNc1cccc(F)c1I ZINC000300788523 400100237 /nfs/dbraw/zinc/10/02/37/400100237.db2.gz ZDOHYBNNPLNWME-UHFFFAOYSA-N 0 0 303.118 3.256 10 30 DGEERN C=C[C@H](NCC/C=C\c1ccc(Br)cc1)C(=O)OC ZINC000600603476 400105397 /nfs/dbraw/zinc/10/53/97/400105397.db2.gz KHAYXBFRRGZQTR-SDQPKGBYSA-N 0 0 324.218 3.170 10 30 DGEERN C=CCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000581439152 400079457 /nfs/dbraw/zinc/07/94/57/400079457.db2.gz KZTGCQCCRSODAH-CYBMUJFWSA-N 0 0 322.836 3.321 10 30 DGEERN C=CCCO[C@H](C)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000066337296 400079601 /nfs/dbraw/zinc/07/96/01/400079601.db2.gz QZSBIXYEMURMNZ-CQSZACIVSA-N 0 0 300.402 3.382 10 30 DGEERN Cn1cc(-c2nc(CN(CCC#N)CC(C)(C)C)cs2)cn1 ZINC000609540067 400173840 /nfs/dbraw/zinc/17/38/40/400173840.db2.gz SETRIZCOUJZVKA-UHFFFAOYSA-N 0 0 317.462 3.305 10 30 DGEERN C=CCNC(=O)[C@H](C)Sc1nnc(Nc2ccccc2)s1 ZINC000016825231 400177262 /nfs/dbraw/zinc/17/72/62/400177262.db2.gz SNHXSGKEAMAIRY-JTQLQIEISA-N 0 0 320.443 3.065 10 30 DGEERN Cn1ccnc1C[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000587987828 400177318 /nfs/dbraw/zinc/17/73/18/400177318.db2.gz FRJXNGPAUBGRIZ-MRXNPFEDSA-N 0 0 303.369 3.083 10 30 DGEERN CCc1nn(C)cc1C(=O)NC[C@H]1CCCc2sc(C)nc21 ZINC000328627790 400182683 /nfs/dbraw/zinc/18/26/83/400182683.db2.gz NCVMRMLPSQKDNE-LLVKDONJSA-N 0 0 318.446 3.172 10 30 DGEERN CC(C)(C)OC(=O)NCCN1CCC[C@@H]1c1ccccc1C#N ZINC000616608377 400182875 /nfs/dbraw/zinc/18/28/75/400182875.db2.gz SEERXZSINJMGPH-MRXNPFEDSA-N 0 0 315.417 3.220 10 30 DGEERN C[C@H]1CN(c2ncc(Br)cc2C#N)C[C@H](C)S1 ZINC000310393796 400133700 /nfs/dbraw/zinc/13/37/00/400133700.db2.gz SDAPBWWZMFCXIE-IUCAKERBSA-N 0 0 312.236 3.046 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)sc1-n1cccc1 ZINC000616408862 400142182 /nfs/dbraw/zinc/14/21/82/400142182.db2.gz CJKAYMDRSSAHIP-ZFWWWQNUSA-N 0 0 316.426 3.168 10 30 DGEERN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000609293643 400157464 /nfs/dbraw/zinc/15/74/64/400157464.db2.gz QUVSNBAFOPJWOQ-SFHVURJKSA-N 0 0 323.371 3.493 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCC[C@H]2CCCO2)c1 ZINC000067318194 400161319 /nfs/dbraw/zinc/16/13/19/400161319.db2.gz CAZWICVDUSEQHV-OAHLLOKOSA-N 0 0 304.390 3.332 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1F ZINC000015800983 400168172 /nfs/dbraw/zinc/16/81/72/400168172.db2.gz PHEDPCHNZBRQRB-SNVBAGLBSA-N 0 0 302.280 3.242 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Cl)cc1 ZINC000015800955 400168235 /nfs/dbraw/zinc/16/82/35/400168235.db2.gz TXBOACDJKKJDBN-GFCCVEGCSA-N 0 0 314.772 3.295 10 30 DGEERN C=C(C)C[C@H](C)c1nc(-c2cnc(OCCCOC)cn2)no1 ZINC000350462263 400219488 /nfs/dbraw/zinc/21/94/88/400219488.db2.gz PURQWIFAZOCLLQ-LBPRGKRZSA-N 0 0 318.377 3.012 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O ZINC000601067854 400219870 /nfs/dbraw/zinc/21/98/70/400219870.db2.gz DCZQOICLERYLPE-HOTGVXAUSA-N 0 0 311.385 3.308 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000610196529 400220513 /nfs/dbraw/zinc/22/05/13/400220513.db2.gz IYOADXTYCVZGCS-KFKAGJAMSA-N 0 0 312.413 3.171 10 30 DGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068032104 400226188 /nfs/dbraw/zinc/22/61/88/400226188.db2.gz BTZBNZCHUVILBZ-XYZLTOARSA-N 0 0 324.424 3.363 10 30 DGEERN Cn1ccnc1C[C@@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000610282354 400234225 /nfs/dbraw/zinc/23/42/25/400234225.db2.gz NRCNRWLJMOPDTL-MRXNPFEDSA-N 0 0 303.369 3.083 10 30 DGEERN N#Cc1ccc(CNC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000610352562 400247514 /nfs/dbraw/zinc/24/75/14/400247514.db2.gz AOHGQFGFAVUOCA-FUHWJXTLSA-N 0 0 323.371 3.128 10 30 DGEERN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000026126366 400250846 /nfs/dbraw/zinc/25/08/46/400250846.db2.gz BGCXIJSLIBSFFA-KGLIPLIRSA-N 0 0 324.380 3.212 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(OCCCC(=O)OC)cc2)C1 ZINC000601158507 400252605 /nfs/dbraw/zinc/25/26/05/400252605.db2.gz UFEHMSGAFSPJQJ-UHFFFAOYSA-N 0 0 317.385 3.313 10 30 DGEERN C=C(C)C[C@@H]1NC(=O)N(c2cccc(CSCC)c2)C1=O ZINC000600947479 400192893 /nfs/dbraw/zinc/19/28/93/400192893.db2.gz BJWDGLJTWHCRLK-AWEZNQCLSA-N 0 0 304.415 3.331 10 30 DGEERN COCCN(CCC#N)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092678281 400193481 /nfs/dbraw/zinc/19/34/81/400193481.db2.gz KUQJPCLEGCIULN-UHFFFAOYSA-N 0 0 314.776 3.126 10 30 DGEERN CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616664058 400196895 /nfs/dbraw/zinc/19/68/95/400196895.db2.gz MPZOCMDCRBRALR-HNNXBMFYSA-N 0 0 302.374 3.257 10 30 DGEERN COc1ccc(COCCC(=O)N[C@](C)(C#N)CC(C)C)cc1 ZINC000609874820 400197954 /nfs/dbraw/zinc/19/79/54/400197954.db2.gz HCXQCOIHWQNIDD-SFHVURJKSA-N 0 0 318.417 3.046 10 30 DGEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1cnn(-c2ccccc2)c1 ZINC000022135583 400199364 /nfs/dbraw/zinc/19/93/64/400199364.db2.gz FNWROXYAAPKAEL-UHFFFAOYSA-N 0 0 319.324 3.264 10 30 DGEERN N#Cc1cc(Br)ccc1CN1CC[C@@H](C(F)F)C1 ZINC000588203858 400200853 /nfs/dbraw/zinc/20/08/53/400200853.db2.gz GITPSHZMGFVLMO-SNVBAGLBSA-N 0 0 315.161 3.408 10 30 DGEERN C=CCSCCNC(=O)c1scc(Br)c1C ZINC000601020248 400205520 /nfs/dbraw/zinc/20/55/20/400205520.db2.gz VSFUHORJYOHQRJ-UHFFFAOYSA-N 0 0 320.277 3.468 10 30 DGEERN C=CCCCCCNC(=O)[C@H](Oc1ccccc1)C(C)(C)O ZINC000616696973 400207695 /nfs/dbraw/zinc/20/76/95/400207695.db2.gz MVGFVAXCHNXELV-INIZCTEOSA-N 0 0 305.418 3.068 10 30 DGEERN N#Cc1ccc(N[C@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000092960828 400216190 /nfs/dbraw/zinc/21/61/90/400216190.db2.gz KNVHTNCFIAVYEF-CQSZACIVSA-N 0 0 317.732 3.265 10 30 DGEERN Cc1c(C(=O)NCc2ccc(C#N)cc2F)cnc2ccccc12 ZINC000610501951 400265290 /nfs/dbraw/zinc/26/52/90/400265290.db2.gz IHJPWFJHSIEMEE-UHFFFAOYSA-N 0 0 319.339 3.484 10 30 DGEERN C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)c1ccncc1 ZINC000610526568 400271679 /nfs/dbraw/zinc/27/16/79/400271679.db2.gz PHBSPYIZIWYMAN-CQSZACIVSA-N 0 0 318.380 3.093 10 30 DGEERN N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000610548847 400274086 /nfs/dbraw/zinc/27/40/86/400274086.db2.gz IKOQFDLIFCILDU-ZHALLVOQSA-N 0 0 323.440 3.176 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CC(Cc3ccccc3)C2)c(F)c1 ZINC000610642752 400284903 /nfs/dbraw/zinc/28/49/03/400284903.db2.gz HNSUWNNWSULNMC-UHFFFAOYSA-N 0 0 323.371 3.081 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(N)=O)c1 ZINC000617034776 400286657 /nfs/dbraw/zinc/28/66/57/400286657.db2.gz DHUFHYCIYQOYMY-DOMZBBRYSA-N 0 0 301.390 3.042 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CNC(C)=O)cc1 ZINC000617035513 400286965 /nfs/dbraw/zinc/28/69/65/400286965.db2.gz NMLMAAXBABYXRQ-WMZOPIPTSA-N 0 0 314.429 3.187 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)COCc1ccc(OC)cc1 ZINC000617037812 400287548 /nfs/dbraw/zinc/28/75/48/400287548.db2.gz QXTZXINTXBDRNZ-FUHWJXTLSA-N 0 0 317.429 3.463 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617037920 400287985 /nfs/dbraw/zinc/28/79/85/400287985.db2.gz SNSQIVISTODVBA-JSGCOSHPSA-N 0 0 313.401 3.144 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1nnn(-c2ccccc2)c1C ZINC000617037216 400288027 /nfs/dbraw/zinc/28/80/27/400288027.db2.gz JQWUUUTYWRRUDS-NVXWUHKLSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617039740 400288680 /nfs/dbraw/zinc/28/86/80/400288680.db2.gz LEBYOSPTJSLWJA-WMLDXEAASA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nncn1C(C)C ZINC000617038440 400288742 /nfs/dbraw/zinc/28/87/42/400288742.db2.gz XERJYLAHRWGCQR-ZIAGYGMSSA-N 0 0 322.478 3.202 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)Nc1ccccc1 ZINC000617038411 400288997 /nfs/dbraw/zinc/28/89/97/400288997.db2.gz WXTDUPZOXNJXDJ-HOCLYGCPSA-N 0 0 315.417 3.059 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1csc2nccn12 ZINC000617039263 400289110 /nfs/dbraw/zinc/28/91/10/400289110.db2.gz FGTDEZPAZIEKNJ-JSGCOSHPSA-N 0 0 303.431 3.189 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000617039036 400289395 /nfs/dbraw/zinc/28/93/95/400289395.db2.gz BCVUDJHQISWQGN-KSSFIOAISA-N 0 0 324.428 3.347 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(NC(C)=O)ccc1O ZINC000617040498 400289966 /nfs/dbraw/zinc/28/99/66/400289966.db2.gz VEFXNMBXQQHROS-BBRMVZONSA-N 0 0 316.401 3.215 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000617040108 400290038 /nfs/dbraw/zinc/29/00/38/400290038.db2.gz PNYQXGZPEFUIFB-RDJZCZTQSA-N 0 0 324.428 3.196 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000617040396 400290163 /nfs/dbraw/zinc/29/01/63/400290163.db2.gz TZQGICDFXRCYML-APHBMKBZSA-N 0 0 303.450 3.392 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CCCC2 ZINC000617044470 400291825 /nfs/dbraw/zinc/29/18/25/400291825.db2.gz OGSOUKKMHZCDQM-DZGCQCFKSA-N 0 0 301.434 3.164 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccncc2)c1 ZINC000617043991 400292027 /nfs/dbraw/zinc/29/20/27/400292027.db2.gz HMCMVMYIJAWFLD-RHSMWYFYSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2c(n1)CCCC2 ZINC000617045011 400292320 /nfs/dbraw/zinc/29/23/20/400292320.db2.gz WJGVRBGQPMNABV-ZBFHGGJFSA-N 0 0 301.434 3.013 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2COc3c2cccc3Cl)c1 ZINC000610709363 400293718 /nfs/dbraw/zinc/29/37/18/400293718.db2.gz GXJGZODQEJFYON-OAHLLOKOSA-N 0 0 312.756 3.004 10 30 DGEERN C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000601654481 400323694 /nfs/dbraw/zinc/32/36/94/400323694.db2.gz HMAVGJFVBCBEJG-KBPBESRZSA-N 0 0 307.434 3.169 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)CCCC1 ZINC000617416526 400383974 /nfs/dbraw/zinc/38/39/74/400383974.db2.gz UQRZGZFCBZACAN-MRXNPFEDSA-N 0 0 320.477 3.278 10 30 DGEERN C=CCCC1(CNC(=O)CC[C@]2(C)CCC(=O)N2)CCCC1 ZINC000617417177 400385064 /nfs/dbraw/zinc/38/50/64/400385064.db2.gz OSDVUZQWKZCKLS-QGZVFWFLSA-N 0 0 306.450 3.078 10 30 DGEERN C=CCCC1(CNC(=O)C(C)(C)c2cnn(C)c2)CCCC1 ZINC000617416974 400385284 /nfs/dbraw/zinc/38/52/84/400385284.db2.gz FZNBYJMHQMUMPP-UHFFFAOYSA-N 0 0 303.450 3.341 10 30 DGEERN C=CCCC1(CNC(=O)c2cnn3c2CCCC3)CCCC1 ZINC000617417010 400385380 /nfs/dbraw/zinc/38/53/80/400385380.db2.gz HTLIFCHLGDTAQE-UHFFFAOYSA-N 0 0 301.434 3.476 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](C)Oc2cccnc2)CCCC1 ZINC000617417297 400385442 /nfs/dbraw/zinc/38/54/42/400385442.db2.gz TVSNJTOCVGUKIN-HNNXBMFYSA-N 0 0 302.418 3.492 10 30 DGEERN C=CCCC1(CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CCCC1 ZINC000617418211 400385729 /nfs/dbraw/zinc/38/57/29/400385729.db2.gz WPDBQHPYCMBUKW-HOCLYGCPSA-N 0 0 308.466 3.180 10 30 DGEERN C=CCCC1(CNC(=O)c2cc3c([nH]2)CCOC3)CCCC1 ZINC000617418693 400386079 /nfs/dbraw/zinc/38/60/79/400386079.db2.gz BPFLSGNNXKZAJT-UHFFFAOYSA-N 0 0 302.418 3.344 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000030525976 400327666 /nfs/dbraw/zinc/32/76/66/400327666.db2.gz IOWLZZOBOJTDDK-QGZVFWFLSA-N 0 0 320.392 3.327 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1nccc(OCc2ccccc2)n1 ZINC000578954632 400333262 /nfs/dbraw/zinc/33/32/62/400333262.db2.gz TVOWIIPPXFGSLW-CVEARBPZSA-N 0 0 311.385 3.201 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000579115806 400336100 /nfs/dbraw/zinc/33/61/00/400336100.db2.gz VAQCOODJHFRGGC-FZMZJTMJSA-N 0 0 324.808 3.451 10 30 DGEERN CC[C@@H](CC#N)Nc1ccccc1I ZINC000036680716 400391473 /nfs/dbraw/zinc/39/14/73/400391473.db2.gz ICRLQHKTARWGRA-VIFPVBQESA-N 0 0 300.143 3.395 10 30 DGEERN C=CCC1(c2nc(-c3c(C)nsc3C)no2)CCOCC1 ZINC000579581355 400339678 /nfs/dbraw/zinc/33/96/78/400339678.db2.gz UAKJTXHWAUHZRE-UHFFFAOYSA-N 0 0 305.403 3.434 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1c(C)coc1CC(=O)OC ZINC000601744506 400343777 /nfs/dbraw/zinc/34/37/77/400343777.db2.gz LBAMQOLWOUIPKJ-UHFFFAOYSA-N 0 0 307.390 3.026 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000601748004 400345407 /nfs/dbraw/zinc/34/54/07/400345407.db2.gz WFDZVOYOTXYCQB-UHFFFAOYSA-N 0 0 306.362 3.326 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cccc(C(=O)OC)c1C)OCC ZINC000611114552 400347371 /nfs/dbraw/zinc/34/73/71/400347371.db2.gz XLCJCFGMTOLLLY-HNNXBMFYSA-N 0 0 305.374 3.091 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000580877385 400348462 /nfs/dbraw/zinc/34/84/62/400348462.db2.gz VCNJWGZBKQEOHM-MSOLQXFVSA-N 0 0 312.413 3.259 10 30 DGEERN C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000601781562 400348597 /nfs/dbraw/zinc/34/85/97/400348597.db2.gz JBIHECFRYJGVRX-SMDDNHRTSA-N 0 0 309.793 3.068 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)C(=O)OC ZINC000601785627 400348998 /nfs/dbraw/zinc/34/89/98/400348998.db2.gz MCERDFUBJVQGIN-GFCCVEGCSA-N 0 0 320.776 3.059 10 30 DGEERN C=C(C)C[C@H](NC(=O)c1cc2sccc2s1)C(=O)OC ZINC000601787586 400349248 /nfs/dbraw/zinc/34/92/48/400349248.db2.gz ZIMYVSISXGIYJL-VIFPVBQESA-N 0 0 309.412 3.200 10 30 DGEERN N#Cc1ccc2c(c1)N(C(=O)C[C@@H]1CCOc3ccccc31)CC2 ZINC000611139711 400350706 /nfs/dbraw/zinc/35/07/06/400350706.db2.gz JZGLXSNRDWJYFL-INIZCTEOSA-N 0 0 318.376 3.404 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)Cc1ccc(F)cc1C ZINC000617320219 400351296 /nfs/dbraw/zinc/35/12/96/400351296.db2.gz LOYUJAKSXBBCET-KBXCAEBGSA-N 0 0 307.409 3.410 10 30 DGEERN C=C[C@@H](CC(=O)N1C2CCC1(C(=O)OC)CC2)c1ccccc1 ZINC000601830314 400361619 /nfs/dbraw/zinc/36/16/19/400361619.db2.gz AFSUPBDQMVMBHL-ASFAAARLSA-N 0 0 313.397 3.043 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(SC)CC1 ZINC000601854744 400364916 /nfs/dbraw/zinc/36/49/16/400364916.db2.gz MVGFGVNXRXGYPF-ZDUSSCGKSA-N 0 0 324.519 3.364 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601865547 400367315 /nfs/dbraw/zinc/36/73/15/400367315.db2.gz YVAZMUZPYXHSDF-LSDHHAIUSA-N 0 0 301.438 3.181 10 30 DGEERN C=CC1CCN(C(=O)Nc2cc(OC)c(OC)cc2C)CC1 ZINC000111709228 400367482 /nfs/dbraw/zinc/36/74/82/400367482.db2.gz PUNYUYNCYIANLA-UHFFFAOYSA-N 0 0 304.390 3.442 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(SC)CC1 ZINC000601874865 400368924 /nfs/dbraw/zinc/36/89/24/400368924.db2.gz PPXHMXZOWARSHO-CQSZACIVSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c(N(C)[C@H]2CCC[C@H]2C#N)nnc1C(C)(C)C ZINC000601874911 400368969 /nfs/dbraw/zinc/36/89/69/400368969.db2.gz RSFUICPEXCKCAM-KBPBESRZSA-N 0 0 301.438 3.280 10 30 DGEERN C=CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601874477 400369083 /nfs/dbraw/zinc/36/90/83/400369083.db2.gz YVEKWVFIXPRCSC-ZIAGYGMSSA-N 0 0 311.389 3.161 10 30 DGEERN C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601873853 400369217 /nfs/dbraw/zinc/36/92/17/400369217.db2.gz HMEYIKPOMUFBGG-HOCLYGCPSA-N 0 0 322.416 3.045 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601875262 400369371 /nfs/dbraw/zinc/36/93/71/400369371.db2.gz VIJSBXIKLTYFQC-ZFWWWQNUSA-N 0 0 311.389 3.243 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC(CCC(=O)OCC)CC1 ZINC000611437733 400400589 /nfs/dbraw/zinc/40/05/89/400400589.db2.gz YGMKPGRCXGVMQB-HNNXBMFYSA-N 0 0 324.465 3.496 10 30 DGEERN C=CCN(C(=O)Cc1coc2cc(OC)ccc12)[C@H](C)COC ZINC000617574502 400415520 /nfs/dbraw/zinc/41/55/20/400415520.db2.gz BRAWWSPJCHVACT-CYBMUJFWSA-N 0 0 317.385 3.033 10 30 DGEERN CC1(C#N)CCN(C(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000611555924 400420991 /nfs/dbraw/zinc/42/09/91/400420991.db2.gz LQQODTXLLITOQQ-UHFFFAOYSA-N 0 0 323.400 3.089 10 30 DGEERN C=CCN(C(=O)C[C@H]1OCc2cc(Cl)ccc21)[C@H](C)COC ZINC000617584416 400418774 /nfs/dbraw/zinc/41/87/74/400418774.db2.gz BOQXGCOHCDELFV-MLGOLLRUSA-N 0 0 323.820 3.351 10 30 DGEERN CN(CCC#N)C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000042361539 400430534 /nfs/dbraw/zinc/43/05/34/400430534.db2.gz QOBPSZRKBLMBIZ-UHFFFAOYSA-N 0 0 321.424 3.061 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C#N)(CC)CC ZINC000602251144 400430661 /nfs/dbraw/zinc/43/06/61/400430661.db2.gz IVNJHIYEOZIBKP-UHFFFAOYSA-N 0 0 315.373 3.439 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](OCC)C(C)C ZINC000602252366 400430977 /nfs/dbraw/zinc/43/09/77/400430977.db2.gz QZGZUQHFZLZIGR-QGZVFWFLSA-N 0 0 300.402 3.134 10 30 DGEERN C=CCCOCC(=O)Nc1cccc2cc(C(=O)OC)sc21 ZINC000590773414 400432533 /nfs/dbraw/zinc/43/25/33/400432533.db2.gz QHSMVDPKJIYOSC-UHFFFAOYSA-N 0 0 319.382 3.219 10 30 DGEERN C=CCCNC(=O)CCc1cccc(F)c1Br ZINC000617619454 400427260 /nfs/dbraw/zinc/42/72/60/400427260.db2.gz WGVWVBBXFWDLDI-UHFFFAOYSA-N 0 0 300.171 3.213 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000617619761 400427387 /nfs/dbraw/zinc/42/73/87/400427387.db2.gz CXXGPONOTWAAND-NSHDSACASA-N 0 0 301.308 3.015 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000602347969 400443990 /nfs/dbraw/zinc/44/39/90/400443990.db2.gz XYDIBOWHCQHFEI-HNNXBMFYSA-N 0 0 324.465 3.354 10 30 DGEERN C=CC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2CCCO2)C1 ZINC000611861324 400459885 /nfs/dbraw/zinc/45/98/85/400459885.db2.gz CZGQRPBYQAGZPL-HOTGVXAUSA-N 0 0 318.465 3.373 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cn2ncc3ccccc32)C1 ZINC000617778930 400451977 /nfs/dbraw/zinc/45/19/77/400451977.db2.gz RCWIIJFZPQMIQH-HOTGVXAUSA-N 0 0 311.429 3.487 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)[C@H](C)Cn2ncc3ccccc32)C1 ZINC000617778929 400452102 /nfs/dbraw/zinc/45/21/02/400452102.db2.gz RCWIIJFZPQMIQH-CVEARBPZSA-N 0 0 311.429 3.487 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2cc(Cl)c(O)c(OC)c2)C1 ZINC000617787721 400455082 /nfs/dbraw/zinc/45/50/82/400455082.db2.gz VOMZWOYCFGWDCR-NSHDSACASA-N 0 0 309.793 3.483 10 30 DGEERN C=C(C)C[C@@H](NC(=O)c1ccccc1CSCC)C(=O)OC ZINC000602414789 400456565 /nfs/dbraw/zinc/45/65/65/400456565.db2.gz PLWABKJPYOUIGK-OAHLLOKOSA-N 0 0 321.442 3.177 10 30 DGEERN C=C[C@H](CC(=O)Nc1ccc(C(=O)OC)nc1)c1ccccc1 ZINC000611876708 400460966 /nfs/dbraw/zinc/46/09/66/400460966.db2.gz GJBAWPJCQOCIFN-CYBMUJFWSA-N 0 0 310.353 3.167 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000618029828 400511116 /nfs/dbraw/zinc/51/11/16/400511116.db2.gz VORPNWAIMRXBJN-HDICACEKSA-N 0 0 317.454 3.463 10 30 DGEERN N#Cc1cc(NCCC(=O)N2CCCCCC2)nc2ccccc12 ZINC000122722178 400463754 /nfs/dbraw/zinc/46/37/54/400463754.db2.gz IHGKNWLICMNWLR-UHFFFAOYSA-N 0 0 322.412 3.311 10 30 DGEERN CCCCCCCC[C@H]([C@@H](C)O)n1cnc2c1ncnc2N ZINC000043379700 400465753 /nfs/dbraw/zinc/46/57/53/400465753.db2.gz MFFHYWGQFAGVAQ-CHWSQXEVSA-N 0 0 305.426 3.081 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(CC(=O)NC)cc1 ZINC000124691005 400478161 /nfs/dbraw/zinc/47/81/61/400478161.db2.gz HJVCKYDYIUMUFG-UHFFFAOYSA-N 0 0 310.397 3.152 10 30 DGEERN C=CCN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000073982206 400483673 /nfs/dbraw/zinc/48/36/73/400483673.db2.gz UHZICDZSDSFIPV-MRXNPFEDSA-N 0 0 306.365 3.332 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CC(COC)(C2CCC2)C1 ZINC000617981324 400495401 /nfs/dbraw/zinc/49/54/01/400495401.db2.gz OCUCYSWQZRONFT-UHFFFAOYSA-N 0 0 315.413 3.140 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000126930441 400497112 /nfs/dbraw/zinc/49/71/12/400497112.db2.gz FSWRKFJLMQBZAV-AWEZNQCLSA-N 0 0 321.490 3.102 10 30 DGEERN C#CCCNc1ncc(Br)cc1Br ZINC000128683244 400516742 /nfs/dbraw/zinc/51/67/42/400516742.db2.gz SPDAIOKNTANKQZ-UHFFFAOYSA-N 0 0 303.985 3.042 10 30 DGEERN N#CCc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000129978939 400533464 /nfs/dbraw/zinc/53/34/64/400533464.db2.gz JWSNILFHRCDYAV-UHFFFAOYSA-N 0 0 320.308 3.394 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc(C)n1 ZINC000612485942 400551550 /nfs/dbraw/zinc/55/15/50/400551550.db2.gz DMFYFSYICXCVBX-SJLPKXTDSA-N 0 0 320.396 3.005 10 30 DGEERN C=CCC1(NC(=O)c2sc(CC3CC3)nc2C)CCOCC1 ZINC000618249534 400551724 /nfs/dbraw/zinc/55/17/24/400551724.db2.gz XVROYZXSYAXXFY-UHFFFAOYSA-N 0 0 320.458 3.259 10 30 DGEERN C=C(C)C[C@@H](NCc1ncc(-c2ccccc2)s1)C(=O)OC ZINC000602734619 400557281 /nfs/dbraw/zinc/55/72/81/400557281.db2.gz PYDYSUMFYAAREB-CQSZACIVSA-N 0 0 316.426 3.408 10 30 DGEERN C=C(C)C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)OC ZINC000602738040 400558192 /nfs/dbraw/zinc/55/81/92/400558192.db2.gz GRYNPMIWKWRDOA-INIZCTEOSA-N 0 0 300.402 3.085 10 30 DGEERN C=C[C@](C)(O)CC(=O)Nc1ccc(COC)c(C(F)(F)F)c1 ZINC000618344215 400568836 /nfs/dbraw/zinc/56/88/36/400568836.db2.gz XUTCQRWDEYJNNV-AWEZNQCLSA-N 0 0 317.307 3.117 10 30 DGEERN N#CCc1cccc(-c2nnc(-c3cc(F)c(F)nc3F)o2)c1 ZINC000140083869 400614395 /nfs/dbraw/zinc/61/43/95/400614395.db2.gz XAKQOYXXHZMWNN-UHFFFAOYSA-N 0 0 316.242 3.282 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000140834039 400622619 /nfs/dbraw/zinc/62/26/19/400622619.db2.gz ILBNHQDKXCBPHE-OAHLLOKOSA-N 0 0 315.392 3.415 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603113438 400643425 /nfs/dbraw/zinc/64/34/25/400643425.db2.gz NRIVFMDQNBUTBP-JKSUJKDBSA-N 0 0 314.385 3.169 10 30 DGEERN C=CCSCCNC(=O)NC1(c2ccccc2F)CCC1 ZINC000591937471 400583838 /nfs/dbraw/zinc/58/38/38/400583838.db2.gz XVNWWWLLSAUWEI-UHFFFAOYSA-N 0 0 308.422 3.423 10 30 DGEERN C=CCCCN(C)C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000135667386 400588146 /nfs/dbraw/zinc/58/81/46/400588146.db2.gz CHZYAFQOMPHNBR-KRWDZBQOSA-N 0 0 318.486 3.201 10 30 DGEERN C=CCCCN(C)C(=O)Cc1ccc(NC(=O)NCCC)cc1 ZINC000135658215 400588797 /nfs/dbraw/zinc/58/87/97/400588797.db2.gz MSXTUJBNPMBLKL-UHFFFAOYSA-N 0 0 317.433 3.185 10 30 DGEERN C=CCOCCCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000618515218 400608195 /nfs/dbraw/zinc/60/81/95/400608195.db2.gz UJBLFZWQJIGVBA-UHFFFAOYSA-N 0 0 305.418 3.072 10 30 DGEERN C=CCOCCCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000618514298 400608446 /nfs/dbraw/zinc/60/84/46/400608446.db2.gz HDILWXDLVGJRJO-ROUUACIJSA-N 0 0 301.430 3.354 10 30 DGEERN CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(C#N)cc1F ZINC000612815232 400609194 /nfs/dbraw/zinc/60/91/94/400609194.db2.gz QFYXCONRIYONBC-NSHDSACASA-N 0 0 317.286 3.228 10 30 DGEERN C=CCOCCCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000618516352 400609142 /nfs/dbraw/zinc/60/91/42/400609142.db2.gz NHHZRNGGAAOSGW-HOAMVYINSA-N 0 0 319.367 3.310 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC000618516552 400609173 /nfs/dbraw/zinc/60/91/73/400609173.db2.gz BGOAYXSMVLITSP-UHFFFAOYSA-N 0 0 310.397 3.380 10 30 DGEERN C=CCOCCCNC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000618521554 400611073 /nfs/dbraw/zinc/61/10/73/400611073.db2.gz XILPXIQHGSGUPU-UHFFFAOYSA-N 0 0 320.776 3.318 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(C)c1Br ZINC000618525752 400611574 /nfs/dbraw/zinc/61/15/74/400611574.db2.gz HRLCNNAZBYFLIV-UHFFFAOYSA-N 0 0 312.207 3.080 10 30 DGEERN C=CCOCCCNC(=O)c1nc2ccccc2cc1Cl ZINC000618525122 400611660 /nfs/dbraw/zinc/61/16/60/400611660.db2.gz APIIANDDINRAOW-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN C=CCCCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000603117877 400644862 /nfs/dbraw/zinc/64/48/62/400644862.db2.gz QTVTXBHXVWOOMN-LSDHHAIUSA-N 0 0 302.374 3.051 10 30 DGEERN COc1cc(C)cc(NCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000618650115 400655083 /nfs/dbraw/zinc/65/50/83/400655083.db2.gz IIOHNUIYFJVGAK-UHFFFAOYSA-N 0 0 309.369 3.234 10 30 DGEERN C=CCCCN(C)C(=O)c1cnn(-c2ccccn2)c1C(C)C ZINC000076488023 400657802 /nfs/dbraw/zinc/65/78/02/400657802.db2.gz QZBQUZCXRIIPOY-UHFFFAOYSA-N 0 0 312.417 3.429 10 30 DGEERN N#Cc1cn2c(nc3ccccc32)nc1NC(=O)c1ccccc1 ZINC000048524445 400657929 /nfs/dbraw/zinc/65/79/29/400657929.db2.gz HXTJBLKCKHMJSX-UHFFFAOYSA-N 0 0 313.320 3.006 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](CCF)C1 ZINC000618695025 400669470 /nfs/dbraw/zinc/66/94/70/400669470.db2.gz DVDPNQXVHFMGMY-CQSZACIVSA-N 0 0 321.392 3.472 10 30 DGEERN C=CC[C@@H](C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1SC)c1ccccc1 ZINC000592708999 400689332 /nfs/dbraw/zinc/68/93/32/400689332.db2.gz OYLJWFDHSYIFKD-VQHPVUNQSA-N 0 0 319.470 3.372 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000618768948 400684821 /nfs/dbraw/zinc/68/48/21/400684821.db2.gz CLUDVRWKBNMPNO-KRWDZBQOSA-N 0 0 303.377 3.494 10 30 DGEERN COc1cc(C)cc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1C ZINC000618778842 400687369 /nfs/dbraw/zinc/68/73/69/400687369.db2.gz OHKIXEYNZZNRKD-KRWDZBQOSA-N 0 0 301.390 3.470 10 30 DGEERN C=C[C@H](CC(=O)N[C@@H](CC(C)(C)C)C(=O)OC)c1ccccc1 ZINC000592694921 400687496 /nfs/dbraw/zinc/68/74/96/400687496.db2.gz ZIPSEKQCPJEFFC-ZBFHGGJFSA-N 0 0 317.429 3.440 10 30 DGEERN N#Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000613430421 400718453 /nfs/dbraw/zinc/71/84/53/400718453.db2.gz NRKKIIGONHDBRU-QGZVFWFLSA-N 0 0 315.373 3.252 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000618845924 400699406 /nfs/dbraw/zinc/69/94/06/400699406.db2.gz IJQRDAQOODYNKF-NUJGCVRESA-N 0 0 309.413 3.377 10 30 DGEERN Cc1cc(C)c2ncc(C#N)c(NCCCCn3cnnc3)c2c1 ZINC000078509806 400806074 /nfs/dbraw/zinc/80/60/74/400806074.db2.gz ATJJUZORHZCLGA-UHFFFAOYSA-N 0 0 320.400 3.207 10 30 DGEERN C=CCOCCCC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000619099899 400766046 /nfs/dbraw/zinc/76/60/46/400766046.db2.gz AABODVBRSFIUPM-HUUCEWRRSA-N 0 0 309.450 3.212 10 30 DGEERN N#Cc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000053357118 400777068 /nfs/dbraw/zinc/77/70/68/400777068.db2.gz ZQSXJVKMCPGEJX-KRWDZBQOSA-N 0 0 316.364 3.412 10 30 DGEERN CC(C)OC(=O)N1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000078254755 400780380 /nfs/dbraw/zinc/78/03/80/400780380.db2.gz CAGQOROYTZDYAY-UHFFFAOYSA-N 0 0 305.353 3.119 10 30 DGEERN C=C(C)CCSCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593197548 400789460 /nfs/dbraw/zinc/78/94/60/400789460.db2.gz PGVKILUOBUMOFI-UHFFFAOYSA-N 0 0 311.472 3.327 10 30 DGEERN C=CCC[C@@H](C(=O)NCCc1cncc(C)n1)c1ccccc1 ZINC000619201522 400799331 /nfs/dbraw/zinc/79/93/31/400799331.db2.gz VPERVLBOKNBEDM-GOSISDBHSA-N 0 0 309.413 3.194 10 30 DGEERN C[C@H]1CCCCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000619592654 400870601 /nfs/dbraw/zinc/87/06/01/400870601.db2.gz QWYNUYBRVVOHOF-AWEZNQCLSA-N 0 0 308.385 3.149 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)[C@@H]1Cc3ccccc31)CCCC2 ZINC000614299390 400873202 /nfs/dbraw/zinc/87/32/02/400873202.db2.gz PUXUMVMOASHFGN-MRXNPFEDSA-N 0 0 303.365 3.110 10 30 DGEERN COc1ccc(C(=O)NCC2CCC(C#N)CC2)c(Cl)c1 ZINC000619660446 400879613 /nfs/dbraw/zinc/87/96/13/400879613.db2.gz SCQSVTCJACAOLK-UHFFFAOYSA-N 0 0 306.793 3.408 10 30 DGEERN C=CC[C@@H]1CC[C@H](N[C@@H](C(=O)OCC)c2cccc(O)c2)C1 ZINC000593616093 400881092 /nfs/dbraw/zinc/88/10/92/400881092.db2.gz GRONIPBODLZGFZ-UKPHBRMFSA-N 0 0 303.402 3.331 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000605804025 400884465 /nfs/dbraw/zinc/88/44/65/400884465.db2.gz HZKXIMVNOJZGFF-UHFFFAOYSA-N 0 0 304.415 3.130 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000605804358 400884720 /nfs/dbraw/zinc/88/47/20/400884720.db2.gz NZQHCDGVXIKTAQ-UHFFFAOYSA-N 0 0 319.426 3.435 10 30 DGEERN C=CCOc1ccc(CC(=O)NC[C@H]2C(C)(C)C2(F)F)cc1 ZINC000619385083 400832265 /nfs/dbraw/zinc/83/22/65/400832265.db2.gz WWZFODNOEOYXBR-AWEZNQCLSA-N 0 0 309.356 3.201 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)CCCCC1 ZINC000614105541 400838436 /nfs/dbraw/zinc/83/84/36/400838436.db2.gz LLFFWWWKZZLUFL-JKSUJKDBSA-N 0 0 308.441 3.158 10 30 DGEERN C=CCOCCCC(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000629516440 400954670 /nfs/dbraw/zinc/95/46/70/400954670.db2.gz FXEDPWRXWPRXGN-ZDUSSCGKSA-N 0 0 316.401 3.078 10 30 DGEERN CC(C)(C)OC(=O)NCc1ccc(C#N)c(Br)c1 ZINC000201203795 400938237 /nfs/dbraw/zinc/93/82/37/400938237.db2.gz OEQGYUMBXWNFQL-UHFFFAOYSA-N 0 0 311.179 3.345 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000633410698 400939524 /nfs/dbraw/zinc/93/95/24/400939524.db2.gz ROPHQSHMMOXSFC-HNNXBMFYSA-N 0 0 304.381 3.044 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ccc(COC)c(OC)c1)OCC ZINC000629497539 400943372 /nfs/dbraw/zinc/94/33/72/400943372.db2.gz KWXZMHVRZFDORH-OAHLLOKOSA-N 0 0 307.390 3.151 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000620685958 400943742 /nfs/dbraw/zinc/94/37/42/400943742.db2.gz ARTQCSIIWFSVIG-QFBILLFUSA-N 0 0 301.430 3.404 10 30 DGEERN C=CCNC(=O)Nc1ccc(NC(=O)c2ccncc2CC)cc1 ZINC000182506660 400893244 /nfs/dbraw/zinc/89/32/44/400893244.db2.gz POIFALAPICXVCP-UHFFFAOYSA-N 0 0 324.384 3.204 10 30 DGEERN C=C[C@](C)(O)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000614400128 400893690 /nfs/dbraw/zinc/89/36/90/400893690.db2.gz VRALHLZHQYHBBS-HNNXBMFYSA-N 0 0 311.784 3.064 10 30 DGEERN C[C@H](C#N)CNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000182724810 400896733 /nfs/dbraw/zinc/89/67/33/400896733.db2.gz DDUHBANWSKQMCU-UKRRQHHQSA-N 0 0 313.401 3.282 10 30 DGEERN COc1cc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)ccn1 ZINC000182795447 400897207 /nfs/dbraw/zinc/89/72/07/400897207.db2.gz GGRUJXSMOMFCRC-UHFFFAOYSA-N 0 0 318.336 3.362 10 30 DGEERN N#CCCCNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000619760628 400900849 /nfs/dbraw/zinc/90/08/49/400900849.db2.gz XBBGHEWBLYUASI-LLVKDONJSA-N 0 0 303.328 3.054 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000183337232 400901134 /nfs/dbraw/zinc/90/11/34/400901134.db2.gz KKZAPHSADLKHJT-SECBINFHSA-N 0 0 303.189 3.360 10 30 DGEERN C[C@H](C#N)CNC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000189871038 400910094 /nfs/dbraw/zinc/91/00/94/400910094.db2.gz OUVRUELMHIDPKW-GFCCVEGCSA-N 0 0 313.323 3.310 10 30 DGEERN C=CCSCCNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000194479821 400920970 /nfs/dbraw/zinc/92/09/70/400920970.db2.gz FSGNVUPZXIFAOY-UHFFFAOYSA-N 0 0 319.348 3.163 10 30 DGEERN C=CCCn1cc(C[S@](=O)c2ccc(C(C)C)cc2)nn1 ZINC000593938360 400922530 /nfs/dbraw/zinc/92/25/30/400922530.db2.gz KZMGBJGMVGLGGT-NRFANRHFSA-N 0 0 303.431 3.285 10 30 DGEERN C=CCCn1cc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)nn1 ZINC000593936334 400922667 /nfs/dbraw/zinc/92/26/67/400922667.db2.gz 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DGEERN C=CC(C)(C)CCNC(=O)c1ccc(C)c(N2CCOCC2)c1 ZINC000633669376 401052258 /nfs/dbraw/zinc/05/22/58/401052258.db2.gz LAHYRXJRFBODQF-UHFFFAOYSA-N 0 0 316.445 3.164 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000620312851 401054182 /nfs/dbraw/zinc/05/41/82/401054182.db2.gz OMUQHXHNZDWQHR-BETUJISGSA-N 0 0 310.353 3.370 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000629719450 401057891 /nfs/dbraw/zinc/05/78/91/401057891.db2.gz CQRHMEGHQSHGOX-ZFWWWQNUSA-N 0 0 321.392 3.131 10 30 DGEERN CC(=O)c1ccc(C(=O)N2CCc3c(CC#N)cccc3C2)s1 ZINC000629729933 401061203 /nfs/dbraw/zinc/06/12/03/401061203.db2.gz KFRXYEUWHXTDRG-UHFFFAOYSA-N 0 0 324.405 3.215 10 30 DGEERN C=C1CC(C)(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000633615378 401025815 /nfs/dbraw/zinc/02/58/15/401025815.db2.gz ZQLOSJBKXCTHTJ-GFCCVEGCSA-N 0 0 305.340 3.349 10 30 DGEERN C=CCSCCNC(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594225990 401027108 /nfs/dbraw/zinc/02/71/08/401027108.db2.gz 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ZINC000625453276 401133259 /nfs/dbraw/zinc/13/32/59/401133259.db2.gz IEKPVTWWOASMNY-WKILWMFISA-N 0 0 317.495 3.246 10 30 DGEERN C=CCCC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633777434 401098610 /nfs/dbraw/zinc/09/86/10/401098610.db2.gz ZLECXHDEXBBTMI-NILFDRSVSA-N 0 0 306.203 3.170 10 30 DGEERN C=CC(C)(C)CCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000625326305 401100232 /nfs/dbraw/zinc/10/02/32/401100232.db2.gz QEIVQTAIQAWQBC-UHFFFAOYSA-N 0 0 301.839 3.362 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000633965138 401169698 /nfs/dbraw/zinc/16/96/98/401169698.db2.gz ZPECUXMZJNNSPW-LBPRGKRZSA-N 0 0 316.401 3.128 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cn(C2CC2)c(C)cc1=O ZINC000633966436 401169825 /nfs/dbraw/zinc/16/98/25/401169825.db2.gz MARFQHZQECPPBI-UHFFFAOYSA-N 0 0 302.418 3.214 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cc2ccccc2c(=O)n1C ZINC000633966926 401169895 /nfs/dbraw/zinc/16/98/95/401169895.db2.gz VVZWZZHRYNMADZ-UHFFFAOYSA-N 0 0 312.413 3.261 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000594788965 401170954 /nfs/dbraw/zinc/17/09/54/401170954.db2.gz HEFCDIYQXPYSCS-GJZGRUSLSA-N 0 0 310.463 3.125 10 30 DGEERN C=CCCC1(CNS(=O)(=O)CC2(CC#N)CC2)CCCC1 ZINC000594799150 401171132 /nfs/dbraw/zinc/17/11/32/401171132.db2.gz PDLLBTNNZHZGJI-UHFFFAOYSA-N 0 0 310.463 3.126 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)c(C(=O)OC)o1 ZINC000600087176 401176982 /nfs/dbraw/zinc/17/69/82/401176982.db2.gz KRPFUFLBDILLKZ-STQMWFEESA-N 0 0 305.374 3.239 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000625725135 401193385 /nfs/dbraw/zinc/19/33/85/401193385.db2.gz QZYZTQGBAVGIQU-LLVKDONJSA-N 0 0 315.339 3.204 10 30 DGEERN C=CC(C)(C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000600167244 401204647 /nfs/dbraw/zinc/20/46/47/401204647.db2.gz QTTWUINHTRLVJC-UHFFFAOYSA-N 0 0 308.403 3.405 10 30 DGEERN C=C[C@H](CC(=O)N1CCO[C@@H](C(F)F)CC1)c1ccccc1 ZINC000634167272 401225602 /nfs/dbraw/zinc/22/56/02/401225602.db2.gz XJLSPDWKEFOFFT-UKRRQHHQSA-N 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303.402 3.419 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1csc([C@H](C)OC)n1 ZINC000623702882 401569947 /nfs/dbraw/zinc/56/99/47/401569947.db2.gz NLLDFXMRCYQTPL-NSHDSACASA-N 0 0 311.451 3.252 10 30 DGEERN C=CCCn1cc(CN[C@@H]2CCc3cc(Cl)ccc32)nn1 ZINC000623708754 401570126 /nfs/dbraw/zinc/57/01/26/401570126.db2.gz TZLIYFUCPORLSF-MRXNPFEDSA-N 0 0 302.809 3.285 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cncc(Br)c1C ZINC000628311858 401573894 /nfs/dbraw/zinc/57/38/94/401573894.db2.gz DFYDUIIUJWTKAA-UHFFFAOYSA-N 0 0 311.223 3.485 10 30 DGEERN C=CC(C)(C)CCNC(=O)CCCOc1ccc2c(c1)OCO2 ZINC000628314481 401574503 /nfs/dbraw/zinc/57/45/03/401574503.db2.gz BEKMLVCWYXKVIB-UHFFFAOYSA-N 0 0 319.401 3.293 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1[nH]nc(CC)c1Br ZINC000628313178 401574506 /nfs/dbraw/zinc/57/45/06/401574506.db2.gz GFUVBUGBRSCEHU-UHFFFAOYSA-N 0 0 314.227 3.067 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000628312532 401574554 /nfs/dbraw/zinc/57/45/54/401574554.db2.gz FZGPZXJPTZYMEH-UHFFFAOYSA-N 0 0 317.433 3.398 10 30 DGEERN C=CC(C)(C)CCNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000628312715 401574573 /nfs/dbraw/zinc/57/45/73/401574573.db2.gz MCTMXCPZEJBWRG-JCYILVPMSA-N 0 0 323.477 3.459 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1c(F)cccc1-n1cccn1 ZINC000628312875 401574590 /nfs/dbraw/zinc/57/45/90/401574590.db2.gz RLJXSAGSFDENKA-UHFFFAOYSA-N 0 0 301.365 3.344 10 30 DGEERN C=C1CC(C)(C(=O)NCc2cccc(OCCCOC)c2)C1 ZINC000632055904 401574784 /nfs/dbraw/zinc/57/47/84/401574784.db2.gz LGNANKXDVWQYPK-UHFFFAOYSA-N 0 0 303.402 3.074 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccn(-c2ccc(OC)cc2)n1 ZINC000628316876 401575002 /nfs/dbraw/zinc/57/50/02/401575002.db2.gz MRBMQJWHFJPVLW-UHFFFAOYSA-N 0 0 313.401 3.213 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000628318677 401575393 /nfs/dbraw/zinc/57/53/93/401575393.db2.gz OVVUGLNLSQYYMB-LLVKDONJSA-N 0 0 318.442 3.451 10 30 DGEERN C=CC(C)(C)CCNC(=O)c1cc(OC)c(OC)cc1OC ZINC000628318586 401575706 /nfs/dbraw/zinc/57/57/06/401575706.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000632840859 401630845 /nfs/dbraw/zinc/63/08/45/401630845.db2.gz NBYLZPSPQVSIAL-KCXAZCMYSA-N 0 0 305.805 3.077 10 30 DGEERN C=CC[C@H](CC)NC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC000632848062 401631307 /nfs/dbraw/zinc/63/13/07/401631307.db2.gz DYHCMGCLNXYFCF-NSHDSACASA-N 0 0 317.355 3.416 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000624210663 401639638 /nfs/dbraw/zinc/63/96/38/401639638.db2.gz TZWWWENTGISENW-KZNAEPCWSA-N 0 0 314.429 3.041 10 30 DGEERN C=CCCC(C)(C)CNC(=O)NCc1c(C)nn(CC)c1C ZINC000632985770 401644513 /nfs/dbraw/zinc/64/45/13/401644513.db2.gz SBQDMGKJZRULFR-UHFFFAOYSA-N 0 0 306.454 3.311 10 30 DGEERN C=CCOCCNC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000632359829 401602876 /nfs/dbraw/zinc/60/28/76/401602876.db2.gz UAMZMHXBTOTMAG-QGZVFWFLSA-N 0 0 302.418 3.064 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)C1 ZINC000623961667 401605561 /nfs/dbraw/zinc/60/55/61/401605561.db2.gz KKBVUVSDXKFYLR-VIFPVBQESA-N 0 0 316.298 3.351 10 30 DGEERN C=CCCCNC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000623963513 401606043 /nfs/dbraw/zinc/60/60/43/401606043.db2.gz JCRAFMDCECPJRA-CQSZACIVSA-N 0 0 306.381 3.299 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)C1 ZINC000628485289 401606299 /nfs/dbraw/zinc/60/62/99/401606299.db2.gz GNCSMZULNGGKMC-LSDHHAIUSA-N 0 0 303.402 3.025 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000628487291 401606632 /nfs/dbraw/zinc/60/66/32/401606632.db2.gz BVNCLBDFEFKWEF-LLVKDONJSA-N 0 0 322.202 3.056 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CN(C)c2nc3ccccc3s2)C1 ZINC000628487153 401606734 /nfs/dbraw/zinc/60/67/34/401606734.db2.gz YULJBJVTCVOSSL-CYBMUJFWSA-N 0 0 315.442 3.157 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000628487626 401606753 /nfs/dbraw/zinc/60/67/53/401606753.db2.gz JFHWZOCJXIVVSU-ZIAGYGMSSA-N 0 0 303.377 3.459 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000628487933 401606843 /nfs/dbraw/zinc/60/68/43/401606843.db2.gz OLPZWNIPJWEWGD-NSHDSACASA-N 0 0 314.307 3.061 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)nc2)C1 ZINC000628486882 401606851 /nfs/dbraw/zinc/60/68/51/401606851.db2.gz SGNMQQCMZZEXOR-MRXNPFEDSA-N 0 0 313.445 3.356 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000628489506 401607022 /nfs/dbraw/zinc/60/70/22/401607022.db2.gz XWVCPZHRTWYBNX-GFCCVEGCSA-N 0 0 307.340 3.352 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2csc(-c3ncccc3F)n2)C1 ZINC000628490072 401607246 /nfs/dbraw/zinc/60/72/46/401607246.db2.gz OZVQVPHMBVALBW-LLVKDONJSA-N 0 0 317.389 3.382 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000628492128 401607453 /nfs/dbraw/zinc/60/74/53/401607453.db2.gz OLXPYADKCVUURH-AQEOSJORSA-N 0 0 321.461 3.165 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)C1 ZINC000628491997 401607524 /nfs/dbraw/zinc/60/75/24/401607524.db2.gz MDNPYYLIENIQQF-HOTGVXAUSA-N 0 0 313.445 3.356 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)[C@@H]2OCCc3sccc32)C1 ZINC000628491871 401607636 /nfs/dbraw/zinc/60/76/36/401607636.db2.gz JLLMIFUZOBMKEB-IOASZLSFSA-N 0 0 305.443 3.423 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)C1 ZINC000628492415 401607763 /nfs/dbraw/zinc/60/77/63/401607763.db2.gz UEPGMZFYGKJZCH-QQFBHYJXSA-N 0 0 320.477 3.132 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)C1 ZINC000628494304 401608350 /nfs/dbraw/zinc/60/83/50/401608350.db2.gz KMWMYNVSFZRWLJ-GFCCVEGCSA-N 0 0 311.385 3.115 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2cc(C)n([C@@H]3CCOC3)c2C)C1 ZINC000628494502 401608386 /nfs/dbraw/zinc/60/83/86/401608386.db2.gz QOLINNKAQCZTPP-JKSUJKDBSA-N 0 0 302.418 3.105 10 30 DGEERN C=CC[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)C1 ZINC000628494305 401608387 /nfs/dbraw/zinc/60/83/87/401608387.db2.gz KMWMYNVSFZRWLJ-LBPRGKRZSA-N 0 0 311.385 3.115 10 30 DGEERN C=C1CC(C)(C(=O)NCCc2cn(C)c3cc(F)ccc23)C1 ZINC000632520477 401612448 /nfs/dbraw/zinc/61/24/48/401612448.db2.gz 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/nfs/dbraw/zinc/66/03/06/401660306.db2.gz KWZJYEBUQWXAOK-UHFFFAOYSA-N 0 0 322.290 3.125 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ocnc1C(F)F ZINC000624455576 401661893 /nfs/dbraw/zinc/66/18/93/401661893.db2.gz OWSXTWJFOKYDDT-UHFFFAOYSA-N 0 0 322.311 3.449 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)C1 ZINC000633219736 401661935 /nfs/dbraw/zinc/66/19/35/401661935.db2.gz KUTHJDUXDRITOB-UHFFFAOYSA-N 0 0 311.385 3.391 10 30 DGEERN C=CCSc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629092070 401662323 /nfs/dbraw/zinc/66/23/23/401662323.db2.gz QCXJCCRACIENMS-KBXCAEBGSA-N 0 0 317.454 3.199 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000624463171 401662734 /nfs/dbraw/zinc/66/27/34/401662734.db2.gz WMTQMWWGPFGODW-UHFFFAOYSA-N 0 0 324.428 3.500 10 30 DGEERN C=C(C)CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633307629 401671315 /nfs/dbraw/zinc/67/13/15/401671315.db2.gz SJTBKRJSASRINC-UHFFFAOYSA-N 0 0 306.353 3.263 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1ccc(C(F)F)cc1 ZINC000633320367 401672531 /nfs/dbraw/zinc/67/25/31/401672531.db2.gz MRUQQSYBYLIAKF-CABCVRRESA-N 0 0 309.356 3.407 10 30 DGEERN C=CCC[C@H](CO)NC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000633357617 401675828 /nfs/dbraw/zinc/67/58/28/401675828.db2.gz QNLTYWAYRCFVHN-MSOLQXFVSA-N 0 0 316.445 3.189 10 30 DGEERN C=C(CC)CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633361731 401676405 /nfs/dbraw/zinc/67/64/05/401676405.db2.gz ZAZJKNPKEWHUDH-RRFJBIMHSA-N 0 0 320.230 3.417 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1cccc2c1CCOC2 ZINC000633377622 401678483 /nfs/dbraw/zinc/67/84/83/401678483.db2.gz VACKYUAOSDWYRL-UHFFFAOYSA-N 0 0 302.418 3.161 10 30 DGEERN C=CCn1c(C)cc(C(=O)COc2ccc(C)nc2OC)c1C ZINC000629381975 401682976 /nfs/dbraw/zinc/68/29/76/401682976.db2.gz BEVGQHVFGCDWNT-UHFFFAOYSA-N 0 0 314.385 3.265 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1N1C(=O)[C@H]2c3ccoc3CCN2C1=O ZINC000629474513 401687065 /nfs/dbraw/zinc/68/70/65/401687065.db2.gz MWHCACCJMAHUOE-XNRPHZJLSA-N 0 0 314.385 3.276 10 30 DGEERN Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1C#N ZINC000408436448 165958021 /nfs/dbraw/zinc/95/80/21/165958021.db2.gz CRUGIVXTRZEYPK-SUMWQHHRSA-N 0 0 318.442 3.068 10 30 DGEERN Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1Cc1cccs1 ZINC000179874467 164868819 /nfs/dbraw/zinc/86/88/19/164868819.db2.gz YOKHLTBCIYCICP-UHFFFAOYSA-N 0 0 324.409 3.166 10 30 DGEERN N#Cc1cccnc1-n1cc(NCc2cc(F)cc(F)c2)cn1 ZINC000185844183 165018667 /nfs/dbraw/zinc/01/86/67/165018667.db2.gz LAFVLECNFSNLLP-UHFFFAOYSA-N 0 0 311.295 3.029 10 30 DGEERN C[C@H](CCc1ccco1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186020812 165025235 /nfs/dbraw/zinc/02/52/35/165025235.db2.gz FPFQJQWVOIXGPH-CYBMUJFWSA-N 0 0 307.357 3.165 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C#N)cc1 ZINC000186016232 165025287 /nfs/dbraw/zinc/02/52/87/165025287.db2.gz MRJGWBXJSNLFKD-ZDUSSCGKSA-N 0 0 314.352 3.184 10 30 DGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Cl)nc1 ZINC000186023149 165025690 /nfs/dbraw/zinc/02/56/90/165025690.db2.gz SWERUATWFBVOEI-LLVKDONJSA-N 0 0 324.775 3.360 10 30 DGEERN CCO[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCC2 ZINC000187349404 165086859 /nfs/dbraw/zinc/08/68/59/165086859.db2.gz FZWXROQNBKPRII-SJORKVTESA-N 0 0 324.424 3.054 10 30 DGEERN N#Cc1ccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1F ZINC000187931444 165107749 /nfs/dbraw/zinc/10/77/49/165107749.db2.gz KGSJMLXNRHXHIN-UHFFFAOYSA-N 0 0 323.302 3.108 10 30 DGEERN N#Cc1ccc(CNc2ccccc2C(=O)NC2CC2)cc1F ZINC000190322347 165197058 /nfs/dbraw/zinc/19/70/58/165197058.db2.gz HNLBEUFZFBFZJS-UHFFFAOYSA-N 0 0 309.344 3.202 10 30 DGEERN N#Cc1ccc(CNc2ccccc2N2CCCC2=O)cc1F ZINC000190320536 165197232 /nfs/dbraw/zinc/19/72/32/165197232.db2.gz GIHRDSJYOXLJRD-UHFFFAOYSA-N 0 0 309.344 3.436 10 30 DGEERN COC(=O)[C@@H](NCc1ccc(C2CC2)cc1)c1cccc(C#N)c1 ZINC000190803532 165216406 /nfs/dbraw/zinc/21/64/06/165216406.db2.gz MTJQOISLTTYOEP-IBGZPJMESA-N 0 0 320.392 3.440 10 30 DGEERN CNC(=O)c1ccc(CSCc2ccc(C#N)c(F)c2)cc1 ZINC000190942151 165221965 /nfs/dbraw/zinc/22/19/65/165221965.db2.gz ZEEXCWCBHRNCNQ-UHFFFAOYSA-N 0 0 314.385 3.490 10 30 DGEERN CC(C)c1cccc2c1CCN(C(=O)c1cc(C#N)cn1C)C2 ZINC000191533991 165257847 /nfs/dbraw/zinc/25/78/47/165257847.db2.gz QXXXHGFYGJJSNW-UHFFFAOYSA-N 0 0 307.397 3.219 10 30 DGEERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccnc(C#N)c1 ZINC000192455663 165292912 /nfs/dbraw/zinc/29/29/12/165292912.db2.gz IPPXUWLXZXDVDF-UHFFFAOYSA-N 0 0 317.352 3.008 10 30 DGEERN N#Cc1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)ccn1 ZINC000192659098 165299824 /nfs/dbraw/zinc/29/98/24/165299824.db2.gz HUCUCESFBDHKJR-UHFFFAOYSA-N 0 0 321.258 3.147 10 30 DGEERN N#Cc1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)ccn1 ZINC000192698379 165302644 /nfs/dbraw/zinc/30/26/44/165302644.db2.gz PYCRICBCIFLDNM-UHFFFAOYSA-N 0 0 323.249 3.041 10 30 DGEERN Cn1c2ccc(F)cc2nc1NCc1c(F)cc(C#N)cc1F ZINC000192756879 165305449 /nfs/dbraw/zinc/30/54/49/165305449.db2.gz IEMHKZBXECYVCK-UHFFFAOYSA-N 0 0 316.286 3.474 10 30 DGEERN N#Cc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)ccn1 ZINC000193559870 165329617 /nfs/dbraw/zinc/32/96/17/165329617.db2.gz UDPFGMBLWNJYCT-UHFFFAOYSA-N 0 0 324.340 3.468 10 30 DGEERN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccnc(C#N)c3)cc2O1 ZINC000194211526 165339200 /nfs/dbraw/zinc/33/92/00/165339200.db2.gz RKRLCIRBQHPTPV-KRWDZBQOSA-N 0 0 309.325 3.103 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000194201283 165339858 /nfs/dbraw/zinc/33/98/58/165339858.db2.gz KRJMRPOUGARDPX-NSHDSACASA-N 0 0 314.414 3.122 10 30 DGEERN C[C@H](CNc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000194692872 165352206 /nfs/dbraw/zinc/35/22/06/165352206.db2.gz RWSGLUWTGPXYAO-CQSZACIVSA-N 0 0 303.369 3.355 10 30 DGEERN N#Cc1cccc(C#N)c1N1CCC(Cc2ccccn2)CC1 ZINC000195263884 165364334 /nfs/dbraw/zinc/36/43/34/165364334.db2.gz OLZAXNHXSPBOOK-UHFFFAOYSA-N 0 0 302.381 3.284 10 30 DGEERN C=CCOc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000129266372 196034382 /nfs/dbraw/zinc/03/43/82/196034382.db2.gz PXZMEFAJZJQEIB-MRXNPFEDSA-N 0 0 316.426 3.281 10 30 DGEERN N#Cc1ccc(NC(=O)NCCOc2ccc(F)cc2F)cc1 ZINC000171680676 432159954 /nfs/dbraw/zinc/15/99/54/432159954.db2.gz CLOZXZBSXAHYID-UHFFFAOYSA-N 0 0 317.295 3.037 10 30 DGEERN COc1ccc(Nc2ccccc2C(=O)NC[C@H](C)C#N)cc1 ZINC000171784359 432171921 /nfs/dbraw/zinc/17/19/21/432171921.db2.gz OCHQILBOXSRNPA-CYBMUJFWSA-N 0 0 309.369 3.328 10 30 DGEERN N#Cc1ccc(C[S@](=O)Cc2noc3c2CCCC3)cc1F ZINC000190795012 432190865 /nfs/dbraw/zinc/19/08/65/432190865.db2.gz DEKFNADANWIUJW-QFIPXVFZSA-N 0 0 318.373 3.013 10 30 DGEERN CCOc1ccccc1CCC(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000150783723 432191395 /nfs/dbraw/zinc/19/13/95/432191395.db2.gz DTMMEZBAULYZEN-UHFFFAOYSA-N 0 0 319.364 3.400 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000150790822 432191420 /nfs/dbraw/zinc/19/14/20/432191420.db2.gz OTOBNOHMSAQEML-UHFFFAOYSA-N 0 0 320.389 3.058 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000172062628 432194530 /nfs/dbraw/zinc/19/45/30/432194530.db2.gz XZHHGZMXEYKDFK-SGTLLEGYSA-N 0 0 322.364 3.460 10 30 DGEERN C=CCC[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccccc1 ZINC000130968682 196127984 /nfs/dbraw/zinc/12/79/84/196127984.db2.gz NJMRIQHPLHSXGR-QAPCUYQASA-N 0 0 316.445 3.496 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)C(C)C)cc1 ZINC000172439581 432214794 /nfs/dbraw/zinc/21/47/94/432214794.db2.gz MBWSFTQKMJERSW-ZDUSSCGKSA-N 0 0 303.406 3.016 10 30 DGEERN CC(C)c1csc(NC(=O)Nc2ccn(CCC#N)n2)n1 ZINC000172220628 432204038 /nfs/dbraw/zinc/20/40/38/432204038.db2.gz WSQCOOLATFHYGZ-UHFFFAOYSA-N 0 0 304.379 3.021 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000191131576 432225629 /nfs/dbraw/zinc/22/56/29/432225629.db2.gz HOAIGXXZXCCHNV-HNNXBMFYSA-N 0 0 308.809 3.171 10 30 DGEERN CSc1ccccc1S(=O)(=O)NC1(C#N)CCCCCC1 ZINC000191092637 432219675 /nfs/dbraw/zinc/21/96/75/432219675.db2.gz AVJMAWCVFOEALL-UHFFFAOYSA-N 0 0 324.471 3.303 10 30 DGEERN CC(C)COc1ccc([C@@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182718559 432222504 /nfs/dbraw/zinc/22/25/04/432222504.db2.gz YHLXGEXMOKWWEB-ZIAGYGMSSA-N 0 0 303.406 3.241 10 30 DGEERN C[C@@H](Oc1ccc(C#N)cc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000134290968 196376777 /nfs/dbraw/zinc/37/67/77/196376777.db2.gz DTYZYRFMSPILKD-CHWSQXEVSA-N 0 0 312.344 3.342 10 30 DGEERN C[C@@H]1C[C@@H](CNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000296730127 226170039 /nfs/dbraw/zinc/17/00/39/226170039.db2.gz ILBVGJSRMJLQEW-JGPRNRPPSA-N 0 0 324.222 3.331 10 30 DGEERN N#CC1(C(=O)NCc2cccc(-c3ccccn3)c2)CCCC1 ZINC000152924884 227079416 /nfs/dbraw/zinc/07/94/16/227079416.db2.gz ANXRTEZGJOTSFZ-UHFFFAOYSA-N 0 0 305.381 3.449 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000184618917 335080658 /nfs/dbraw/zinc/08/06/58/335080658.db2.gz WVBYNTXFKMSREJ-OAHLLOKOSA-N 0 0 316.445 3.436 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000121604367 545897021 /nfs/dbraw/zinc/89/70/21/545897021.db2.gz XJPIMKVNDDXTTR-AWEZNQCLSA-N 0 0 306.406 3.038 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)CCCOc1ccccc1 ZINC000161362614 228251404 /nfs/dbraw/zinc/25/14/04/228251404.db2.gz MMFVGJAVZSPHOO-UHFFFAOYSA-N 0 0 308.381 3.408 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000161687173 228253629 /nfs/dbraw/zinc/25/36/29/228253629.db2.gz LCWNLMQEPKAQKT-OAHLLOKOSA-N 0 0 307.397 3.121 10 30 DGEERN N#CC1(NC(=O)CCCc2ccc(F)c(F)c2)CCSCC1 ZINC000162174131 228256599 /nfs/dbraw/zinc/25/65/99/228256599.db2.gz VZHOLJJESJYSHU-UHFFFAOYSA-N 0 0 324.396 3.193 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(Br)cn1 ZINC000162360846 228256833 /nfs/dbraw/zinc/25/68/33/228256833.db2.gz ZSSKUZVBTIRZEC-UHFFFAOYSA-N 0 0 316.158 3.277 10 30 DGEERN Cc1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)s1 ZINC000171045339 228269978 /nfs/dbraw/zinc/26/99/78/228269978.db2.gz RGBRHDWUJFTYIY-ONEGZZNKSA-N 0 0 320.439 3.246 10 30 DGEERN C[C@H](COCc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000172973634 228278443 /nfs/dbraw/zinc/27/84/43/228278443.db2.gz XXKGQWKWFDFPRE-OAHLLOKOSA-N 0 0 308.381 3.088 10 30 DGEERN CO[C@H](C)c1nc(C)c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)s1 ZINC000176741790 228319592 /nfs/dbraw/zinc/31/95/92/228319592.db2.gz JYOHPQHIRXGKAL-IETSOEAISA-N 0 0 321.446 3.361 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000177439784 228330345 /nfs/dbraw/zinc/33/03/45/228330345.db2.gz RLNXPRWIEGBADM-UHFFFAOYSA-N 0 0 313.332 3.077 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000178554956 228342899 /nfs/dbraw/zinc/34/28/99/228342899.db2.gz SSSCDBMFZHVAAO-LBPRGKRZSA-N 0 0 323.352 3.478 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCn1cnc2ccccc21 ZINC000178554811 228343165 /nfs/dbraw/zinc/34/31/65/228343165.db2.gz ZOINFBKPTAKLBW-UHFFFAOYSA-N 0 0 318.380 3.037 10 30 DGEERN COCc1cccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000183070441 228371295 /nfs/dbraw/zinc/37/12/95/228371295.db2.gz USYFSDFRXWRYAT-UHFFFAOYSA-N 0 0 320.392 3.318 10 30 DGEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CCCC1 ZINC000184744654 228385679 /nfs/dbraw/zinc/38/56/79/228385679.db2.gz HCQMRACICRDUCV-GHMZBOCLSA-N 0 0 308.303 3.160 10 30 DGEERN C[C@H](SCc1nsc(N(C)C)n1)c1cccc(C#N)c1 ZINC000190823208 228514971 /nfs/dbraw/zinc/51/49/71/228514971.db2.gz CXHHNZVOLNNWDX-JTQLQIEISA-N 0 0 304.444 3.470 10 30 DGEERN C[C@]1(C(=O)NCc2nc3c(s2)CCCC3)CCC(=O)NC1 ZINC000328688278 228908435 /nfs/dbraw/zinc/90/84/35/228908435.db2.gz ZTPHXWPSBMSLBM-HNNXBMFYSA-N 0 0 307.419 3.235 10 30 DGEERN CCc1noc2ncc(C(=O)N[C@H](C)C[C@@H]3CCCO3)cc12 ZINC000328696742 228909218 /nfs/dbraw/zinc/90/92/18/228909218.db2.gz KZKDYQOWUKQRAC-PWSUYJOCSA-N 0 0 303.362 3.047 10 30 DGEERN O=C(NCCc1cnc(C2CC2)nc1)N[C@@H]1CC12CCCCC2 ZINC000329128587 228929415 /nfs/dbraw/zinc/92/94/15/228929415.db2.gz VMJWPLQIZSSRHJ-OAHLLOKOSA-N 0 0 314.433 3.123 10 30 DGEERN C[C@@]1(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCCNC1=O ZINC000330288963 228987904 /nfs/dbraw/zinc/98/79/04/228987904.db2.gz BUSMBTDYTIUEKN-YVEFUNNKSA-N 0 0 315.373 3.475 10 30 DGEERN N#Cc1nc(N(Cc2ccc(F)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000302688485 230353547 /nfs/dbraw/zinc/35/35/47/230353547.db2.gz BQYQLAVGYHXOAZ-UHFFFAOYSA-N 0 0 312.304 3.170 10 30 DGEERN COc1ccc(OCCN(C)c2cc(C#N)ccc2C(C)=O)cc1 ZINC000359552830 269788631 /nfs/dbraw/zinc/78/86/31/269788631.db2.gz DXCZYJCILDZDSJ-UHFFFAOYSA-N 0 0 324.380 3.285 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000185639946 263641121 /nfs/dbraw/zinc/64/11/21/263641121.db2.gz KNJLLOWADKNTBK-LBPRGKRZSA-N 0 0 310.328 3.434 10 30 DGEERN N#Cc1c(F)cccc1C(=O)NCCCc1cccc(F)c1 ZINC000187835507 263681071 /nfs/dbraw/zinc/68/10/71/263681071.db2.gz JSWHFEZZTVSPSV-UHFFFAOYSA-N 0 0 300.308 3.199 10 30 DGEERN CC(C)OCc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531145649 266930732 /nfs/dbraw/zinc/93/07/32/266930732.db2.gz AXCGUQXTXJZMGM-UHFFFAOYSA-N 0 0 322.408 3.342 10 30 DGEERN CCO[C@H]1C[C@@H](NC(=O)Cc2cccc(C#N)c2)C1(CC)CC ZINC000530683104 267157373 /nfs/dbraw/zinc/15/73/73/267157373.db2.gz FZZCSLWUSDZGQC-SJORKVTESA-N 0 0 314.429 3.201 10 30 DGEERN CCOc1ccc(CN(C)C(=O)Cc2cccc(C#N)c2)cc1 ZINC000530670431 267169017 /nfs/dbraw/zinc/16/90/17/267169017.db2.gz NDOQJUTZQISFPJ-UHFFFAOYSA-N 0 0 308.381 3.158 10 30 DGEERN CCS[C@H]1CCC[C@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000531153774 267181349 /nfs/dbraw/zinc/18/13/49/267181349.db2.gz XOPXUOKJQHIKJN-HOTGVXAUSA-N 0 0 302.443 3.281 10 30 DGEERN Cc1cc(C#N)nc(N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000367469074 267317323 /nfs/dbraw/zinc/31/73/23/267317323.db2.gz HBNPRIOAGRNTLM-QGZVFWFLSA-N 0 0 319.343 3.392 10 30 DGEERN Cc1ccc(-c2nc(CC(=O)Nc3cc(C#N)ccn3)cs2)o1 ZINC000357405513 267369266 /nfs/dbraw/zinc/36/92/66/267369266.db2.gz ZASNLLBRWHJLBP-UHFFFAOYSA-N 0 0 324.365 3.159 10 30 DGEERN Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccn3)on2)cc1 ZINC000357416622 267369709 /nfs/dbraw/zinc/36/97/09/267369709.db2.gz WRRYLYFTFAEINK-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN Cn1c2cc(Nc3cc(C#N)ccc3[N+](=O)[O-])ccc2ccc1=O ZINC000362677651 267772472 /nfs/dbraw/zinc/77/24/72/267772472.db2.gz ZJUXIOBTNXSFMR-UHFFFAOYSA-N 0 0 320.308 3.062 10 30 DGEERN Cc1cc(C#N)nc(N2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000517602710 267977823 /nfs/dbraw/zinc/97/78/23/267977823.db2.gz IGBJGTKPTKTUBY-UHFFFAOYSA-N 0 0 322.412 3.212 10 30 DGEERN Cc1ccc(-c2nnco2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531384763 268023025 /nfs/dbraw/zinc/02/30/25/268023025.db2.gz QCWLPIOOBFNDFT-UHFFFAOYSA-N 0 0 318.336 3.098 10 30 DGEERN Cc1nnc(-c2ccccc2NC(=O)Cc2cccc(C#N)c2)o1 ZINC000531389624 268094198 /nfs/dbraw/zinc/09/41/98/268094198.db2.gz MAZMHYGYSQYOCY-UHFFFAOYSA-N 0 0 318.336 3.098 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000531152865 268274034 /nfs/dbraw/zinc/27/40/34/268274034.db2.gz ZNIOWXPIMXMKSX-IBGZPJMESA-N 0 0 304.393 3.192 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000531154356 268277102 /nfs/dbraw/zinc/27/71/02/268277102.db2.gz ICILQXQKFCVAMU-CZUORRHYSA-N 0 0 312.319 3.051 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000530674103 268277195 /nfs/dbraw/zinc/27/71/95/268277195.db2.gz XPLHFSXHGYEHQK-INIZCTEOSA-N 0 0 309.756 3.135 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000531409241 268277643 /nfs/dbraw/zinc/27/76/43/268277643.db2.gz QINLLMSWWSHLIA-UHFFFAOYSA-N 0 0 304.349 3.258 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000531386860 268278695 /nfs/dbraw/zinc/27/86/95/268278695.db2.gz PRPDPOVKVZQTQI-UHFFFAOYSA-N 0 0 302.337 3.130 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1 ZINC000362519477 271039997 /nfs/dbraw/zinc/03/99/97/271039997.db2.gz NDVPSYICMQPJOA-NXEZZACHSA-N 0 0 303.774 3.410 10 30 DGEERN N#Cc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1C#N ZINC000173098666 432258858 /nfs/dbraw/zinc/25/88/58/432258858.db2.gz YYUFJJSCUURVHZ-ZDUSSCGKSA-N 0 0 317.348 3.325 10 30 DGEERN C[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000041423195 274576398 /nfs/dbraw/zinc/57/63/98/274576398.db2.gz HCILYSNNFDAELS-SCLBCKFNSA-N 0 0 324.355 3.300 10 30 DGEERN N#Cc1cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)c[nH]1 ZINC000181384029 274919181 /nfs/dbraw/zinc/91/91/81/274919181.db2.gz WNLOIDUPFYBOED-AWEZNQCLSA-N 0 0 315.760 3.183 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000278290230 275740755 /nfs/dbraw/zinc/74/07/55/275740755.db2.gz RCFLOJWOYUUWBA-VHDGCEQUSA-N 0 0 321.804 3.261 10 30 DGEERN C=CCn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453441271 275749844 /nfs/dbraw/zinc/74/98/44/275749844.db2.gz NVJHAIVNOYVFAX-KEYYUXOJSA-N 0 0 304.438 3.115 10 30 DGEERN C#CCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000369287090 276777140 /nfs/dbraw/zinc/77/71/40/276777140.db2.gz YYPGKGSJJNKBCF-CQSZACIVSA-N 0 0 321.218 3.319 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000437927068 276872258 /nfs/dbraw/zinc/87/22/58/276872258.db2.gz BWSBKLWKWRHCHX-WPXTXCOCSA-N 0 0 318.461 3.188 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000424752655 276882616 /nfs/dbraw/zinc/88/26/16/276882616.db2.gz KXLNFLWFSWDYOV-ZDUSSCGKSA-N 0 0 318.373 3.145 10 30 DGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC000424117343 276912655 /nfs/dbraw/zinc/91/26/55/276912655.db2.gz BJPUMNKTLHJDIY-MCIONIFRSA-N 0 0 322.478 3.036 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(-c3ccccc3)nn2)c1 ZINC000532062392 430151211 /nfs/dbraw/zinc/15/12/11/430151211.db2.gz GCALAVXZZHFFJK-UHFFFAOYSA-N 0 0 314.348 3.196 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)ccnc1C ZINC000287652952 277697744 /nfs/dbraw/zinc/69/77/44/277697744.db2.gz WNIIFQFSIMUPEZ-QGZVFWFLSA-N 0 0 307.397 3.455 10 30 DGEERN C=CCCS(=O)(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000372247546 277833661 /nfs/dbraw/zinc/83/36/61/277833661.db2.gz NANLAAZFZZLEEG-INIZCTEOSA-N 0 0 322.474 3.323 10 30 DGEERN C[C@@H]1CN(C)c2ccccc2N(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246264503 277877174 /nfs/dbraw/zinc/87/71/74/277877174.db2.gz AXPZDMPEBCERTK-FOIQADDNSA-N 0 0 321.424 3.184 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(CC)C[C@H]1CCCO1 ZINC000351159442 277893294 /nfs/dbraw/zinc/89/32/94/277893294.db2.gz DONFBHQJDFSWJY-OAHLLOKOSA-N 0 0 306.454 3.058 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000275496669 277908190 /nfs/dbraw/zinc/90/81/90/277908190.db2.gz QFISJFHRHVYWAP-LRDDRELGSA-N 0 0 306.362 3.001 10 30 DGEERN CC1(C)CCCN(C(=O)c2csc(C(F)(F)F)n2)[C@@H]1C#N ZINC000408021903 278214313 /nfs/dbraw/zinc/21/43/13/278214313.db2.gz KEYMLHACANUABB-SECBINFHSA-N 0 0 317.336 3.316 10 30 DGEERN Cc1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)c(C#N)cc1N(C)C ZINC000408465127 278725627 /nfs/dbraw/zinc/72/56/27/278725627.db2.gz GNXJNPASHNXFAO-CZUORRHYSA-N 0 0 312.417 3.339 10 30 DGEERN CCC(C)(C)NC(=O)CNc1ccccc1SCCC#N ZINC000108352085 431131672 /nfs/dbraw/zinc/13/16/72/431131672.db2.gz QXJWZVYRYRYCJN-UHFFFAOYSA-N 0 0 305.447 3.409 10 30 DGEERN CCOc1ccc2nc(N(CCC#N)CCC#N)sc2c1 ZINC000003077829 431281641 /nfs/dbraw/zinc/28/16/41/431281641.db2.gz HZFXAHQLZJANQD-UHFFFAOYSA-N 0 0 300.387 3.329 10 30 DGEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(O)c(O)ccc4[C@H]3CC[C@@]21C ZINC000005764437 431310335 /nfs/dbraw/zinc/31/03/35/431310335.db2.gz SYFHJXSYRPNSOI-RXUQYVRZSA-N 0 0 312.409 3.318 10 30 in-vitro DGEERN CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)C(=O)c1ccccc1 ZINC000005457102 431312214 /nfs/dbraw/zinc/31/22/14/431312214.db2.gz KJNXYOIXYJZAHZ-GDNBJRDFSA-N 0 0 324.332 3.245 10 30 DGEERN CC[C@H](C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000112889563 431312338 /nfs/dbraw/zinc/31/23/38/431312338.db2.gz QWCJNHMJGMSBFJ-PSASIEDQSA-N 0 0 301.173 3.179 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113150451 431332182 /nfs/dbraw/zinc/33/21/82/431332182.db2.gz JXZZYSROIUYHBP-LBPRGKRZSA-N 0 0 315.348 3.031 10 30 DGEERN N#CCSCCC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000072486766 431334609 /nfs/dbraw/zinc/33/46/09/431334609.db2.gz JOZXNWGXIXCFEI-UHFFFAOYSA-N 0 0 307.438 3.349 10 30 DGEERN COc1ccc(CNc2cccc(N(C)C(C)=O)c2)cc1C#N ZINC000072927964 431360553 /nfs/dbraw/zinc/36/05/53/431360553.db2.gz HNBLWPZHVKFFEW-UHFFFAOYSA-N 0 0 309.369 3.162 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)CSc1nc2cc(C)ccc2o1 ZINC000113776900 431361890 /nfs/dbraw/zinc/36/18/90/431361890.db2.gz CBDROBYAQOBXDW-GFCCVEGCSA-N 0 0 317.414 3.237 10 30 DGEERN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C#N)nc1 ZINC000115000657 431422676 /nfs/dbraw/zinc/42/26/76/431422676.db2.gz MNGCLEQSBBDSLP-UHFFFAOYSA-N 0 0 301.733 3.176 10 30 DGEERN C[C@H]1CN(C(=O)c2ccnc(C#N)c2)c2cccc(Cl)c2O1 ZINC000193750119 279823303 /nfs/dbraw/zinc/82/33/03/279823303.db2.gz UKSNGKFFOMNMPZ-JTQLQIEISA-N 0 0 313.744 3.034 10 30 DGEERN COc1cc(F)ccc1N1CCN(c2ccc(C#N)cc2)CC1 ZINC000115520115 431457399 /nfs/dbraw/zinc/45/73/99/431457399.db2.gz IKWAACUPUPYDNF-UHFFFAOYSA-N 0 0 311.360 3.033 10 30 DGEERN CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000075680686 431492773 /nfs/dbraw/zinc/49/27/73/431492773.db2.gz PRCMOJQWPBDZKN-YJBOKZPZSA-N 0 0 322.408 3.463 10 30 DGEERN CCS[C@@H]1CCC[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000357134278 280049665 /nfs/dbraw/zinc/04/96/65/280049665.db2.gz WIMCHBDEQCWTJN-UONOGXRCSA-N 0 0 309.479 3.386 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000076953051 431563847 /nfs/dbraw/zinc/56/38/47/431563847.db2.gz TURDSDGXLUOVJL-HNNXBMFYSA-N 0 0 319.424 3.260 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117573498 431567128 /nfs/dbraw/zinc/56/71/28/431567128.db2.gz XYWIXJICVRTJIL-DIFFPNOSSA-N 0 0 309.321 3.037 10 30 DGEERN COc1cc(C#N)ccc1OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117573478 431568262 /nfs/dbraw/zinc/56/82/62/431568262.db2.gz RPPVLHAOOQVQEU-AWEZNQCLSA-N 0 0 323.348 3.429 10 30 DGEERN COc1cc(O)cc(OC)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000014726235 431595664 /nfs/dbraw/zinc/59/56/64/431595664.db2.gz SJULMVKFURWCFM-VMPITWQZSA-N 0 0 300.310 3.011 10 30 endogenous,in-man DGEERN C=CCCCN(C)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000077280405 431578158 /nfs/dbraw/zinc/57/81/58/431578158.db2.gz RVGZVZMDNLCAKY-UHFFFAOYSA-N 0 0 309.797 3.130 10 30 DGEERN O=C1c2ccccc2S/C1=N\Nc1ccc2c(c1)OCCO2 ZINC000015357272 431607531 /nfs/dbraw/zinc/60/75/31/431607531.db2.gz GFFZAJZYPVWBPU-VLGSPTGOSA-N 0 0 312.350 3.172 10 30 DGEERN C=CCCC(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000078153598 431644149 /nfs/dbraw/zinc/64/41/49/431644149.db2.gz FPHTXBKRMCFQFN-HUUCEWRRSA-N 0 0 302.418 3.201 10 30 DGEERN CCc1oc(C(=O)N(CCOC)c2ccc(C#N)cc2)cc1C ZINC000119361866 431682603 /nfs/dbraw/zinc/68/26/03/431682603.db2.gz VPCLNXWZYFXUDL-UHFFFAOYSA-N 0 0 312.369 3.315 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000078553936 431683703 /nfs/dbraw/zinc/68/37/03/431683703.db2.gz NDVFHRPTDGELIX-UHFFFAOYSA-N 0 0 319.364 3.164 10 30 DGEERN C#CCCCCC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000120238532 431723897 /nfs/dbraw/zinc/72/38/97/431723897.db2.gz HVHUQCYAHKHCNT-QGZVFWFLSA-N 0 0 315.413 3.299 10 30 DGEERN N#CC1(NC(=O)Cc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000120796927 431733685 /nfs/dbraw/zinc/73/36/85/431733685.db2.gz WFHXWHIUBFNFAA-UHFFFAOYSA-N 0 0 312.291 3.080 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000079602943 431734575 /nfs/dbraw/zinc/73/45/75/431734575.db2.gz QXKUJBSHFJUCSJ-LBPRGKRZSA-N 0 0 324.384 3.236 10 30 DGEERN Cc1nccn1-c1ccc([C@H](C)NC(=O)C2(C#N)CCCC2)cc1 ZINC000080253785 431763941 /nfs/dbraw/zinc/76/39/41/431763941.db2.gz MKILGHCHZYKWMM-AWEZNQCLSA-N 0 0 322.412 3.442 10 30 DGEERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000032801413 431792174 /nfs/dbraw/zinc/79/21/74/431792174.db2.gz KKWZWGLJUBWSPM-SJCJKPOMSA-N 0 0 319.364 3.405 10 30 DGEERN C=CCCCC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000081639151 431799250 /nfs/dbraw/zinc/79/92/50/431799250.db2.gz NCJZUMGBMZQJHD-CQSZACIVSA-N 0 0 303.402 3.376 10 30 DGEERN C=CCOc1ccc(CNc2ccc(OCCOC)nc2)cc1 ZINC000121740022 431806314 /nfs/dbraw/zinc/80/63/14/431806314.db2.gz MASNLMOENOELPP-UHFFFAOYSA-N 0 0 314.385 3.284 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Br)cc1F ZINC000080938070 431778244 /nfs/dbraw/zinc/77/82/44/431778244.db2.gz XPTOAINKHQNARB-UHFFFAOYSA-N 0 0 322.137 3.051 10 30 DGEERN CCOc1ccccc1N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000121435751 431787525 /nfs/dbraw/zinc/78/75/25/431787525.db2.gz FMTHFLJOCSBTRY-CQSZACIVSA-N 0 0 324.380 3.387 10 30 DGEERN Cc1noc(-c2ccccc2)c1NC(=O)c1cc(C#N)cn1C ZINC000122634747 431840077 /nfs/dbraw/zinc/84/00/77/431840077.db2.gz KAEDJTMVCZBZBI-UHFFFAOYSA-N 0 0 306.325 3.113 10 30 DGEERN C=CCCOCCNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000122898737 431847483 /nfs/dbraw/zinc/84/74/83/431847483.db2.gz KWMKFSPQYHNINM-OAHLLOKOSA-N 0 0 308.809 3.219 10 30 DGEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000122903730 431847712 /nfs/dbraw/zinc/84/77/12/431847712.db2.gz JPPAIZBXBPHGHX-LLVKDONJSA-N 0 0 314.788 3.432 10 30 DGEERN Cc1cc(OCC(=O)NC2(C#N)CCCC2)cc(C)c1Cl ZINC000042178618 431862122 /nfs/dbraw/zinc/86/21/22/431862122.db2.gz FGQGPOMJMDIDAA-UHFFFAOYSA-N 0 0 306.793 3.288 10 30 DGEERN C=C[C@@H](CC(=O)Nc1cc(-c2nccn2C)[nH]n1)c1ccccc1 ZINC000089512601 431869024 /nfs/dbraw/zinc/86/90/24/431869024.db2.gz GOSBKBBXVQAUNP-ZDUSSCGKSA-N 0 0 321.384 3.109 10 30 DGEERN C[C@@H](SCc1nsc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000089603803 431872211 /nfs/dbraw/zinc/87/22/11/431872211.db2.gz BPHBHTOYZFWIQI-SNVBAGLBSA-N 0 0 304.444 3.470 10 30 DGEERN COC(=O)c1ccc(F)c(NCc2ccc(OC)c(C#N)c2)c1 ZINC000124953112 431909156 /nfs/dbraw/zinc/90/91/56/431909156.db2.gz NWDKTHSPGWGEGR-UHFFFAOYSA-N 0 0 314.316 3.105 10 30 DGEERN C=CCN(Cc1cn(C)nc1-c1cccnc1)CC(F)(F)F ZINC000092471868 431909521 /nfs/dbraw/zinc/90/95/21/431909521.db2.gz PYROLOJSVYNJQU-UHFFFAOYSA-N 0 0 310.323 3.032 10 30 DGEERN C=CCSCCNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000125262697 431919186 /nfs/dbraw/zinc/91/91/86/431919186.db2.gz RLGUUEWJJHZJGB-OAHLLOKOSA-N 0 0 306.475 3.487 10 30 DGEERN N#CCOc1cccc(CC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000089810896 431880485 /nfs/dbraw/zinc/88/04/85/431880485.db2.gz YNCAVUYDGWHENJ-MRXNPFEDSA-N 0 0 310.353 3.088 10 30 DGEERN CC(C)NC(=O)c1ccccc1NCc1ccc(F)c(C#N)c1 ZINC000123993134 431880568 /nfs/dbraw/zinc/88/05/68/431880568.db2.gz UHGUMQLSROHJJJ-UHFFFAOYSA-N 0 0 311.360 3.448 10 30 DGEERN C=CCCOCCNC(=O)Nc1cc(F)ccc1OC(C)C ZINC000124489821 431895476 /nfs/dbraw/zinc/89/54/76/431895476.db2.gz SJKNHESNTZETNT-UHFFFAOYSA-N 0 0 310.369 3.327 10 30 DGEERN CCc1ccc(NCC(=O)N(CC)C[C@@H](C)C#N)cc1CC ZINC000091551695 431904686 /nfs/dbraw/zinc/90/46/86/431904686.db2.gz REOUROBHPSVSPS-AWEZNQCLSA-N 0 0 301.434 3.231 10 30 DGEERN Cc1nc(CC(C)C)c(NC(=O)c2cc(C#N)cn2C)s1 ZINC000127749314 431980218 /nfs/dbraw/zinc/98/02/18/431980218.db2.gz VUVKQLSFOFFUPL-UHFFFAOYSA-N 0 0 302.403 3.113 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)c1cnn2c1CCCC2 ZINC000126386279 431949021 /nfs/dbraw/zinc/94/90/21/431949021.db2.gz SIRAXNQHRHXMCA-UHFFFAOYSA-N 0 0 313.376 3.187 10 30 DGEERN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097477831 431969202 /nfs/dbraw/zinc/96/92/02/431969202.db2.gz IUUKLCJNDNUUDA-KBPBESRZSA-N 0 0 321.852 3.341 10 30 DGEERN CCCCCC/C=C/CCCC(=O)CC(=O)N[C@H]1CCOC1=O ZINC000100165428 431981234 /nfs/dbraw/zinc/98/12/34/431981234.db2.gz MGGGOCSKDLGISA-WAVCKPEOSA-N 0 0 323.433 3.074 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](CC)SC ZINC000128003003 431985197 /nfs/dbraw/zinc/98/51/97/431985197.db2.gz JFMDYSUTURFGKW-CQSZACIVSA-N 0 0 308.403 3.251 10 30 DGEERN CC1(C)CN(c2cc(C#N)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000302701029 281266277 /nfs/dbraw/zinc/26/62/77/281266277.db2.gz XKKOZGUBVWEABZ-UHFFFAOYSA-N 0 0 315.373 3.394 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@H](O)COC ZINC000191510959 432273324 /nfs/dbraw/zinc/27/33/24/432273324.db2.gz QFMKKCDEDCIHNH-HNNXBMFYSA-N 0 0 320.433 3.057 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000248383363 432283762 /nfs/dbraw/zinc/28/37/62/432283762.db2.gz ZXGBCGWEFBQZFO-CYBMUJFWSA-N 0 0 312.344 3.123 10 30 DGEERN C[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000128554900 431996038 /nfs/dbraw/zinc/99/60/38/431996038.db2.gz HHOMHOQRZBCHJT-KBXCAEBGSA-N 0 0 320.392 3.172 10 30 DGEERN C[C@H]1C[C@H](C(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000248578950 432302860 /nfs/dbraw/zinc/30/28/60/432302860.db2.gz PROVMTUPNWQYNT-FOLVSLTJSA-N 0 0 300.402 3.126 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000128851782 432001250 /nfs/dbraw/zinc/00/12/50/432001250.db2.gz UFPHGVNQMRTXGO-SFHVURJKSA-N 0 0 307.397 3.431 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000191447727 432264966 /nfs/dbraw/zinc/26/49/66/432264966.db2.gz LJDLSOKGNAANBS-CYBMUJFWSA-N 0 0 321.442 3.014 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NCCCOCCO ZINC000191465381 432267550 /nfs/dbraw/zinc/26/75/50/432267550.db2.gz MJSSXCVOXMMITO-UHFFFAOYSA-N 0 0 320.433 3.059 10 30 DGEERN C=CCN(CCOC)C(=O)c1ncoc1-c1ccccc1Cl ZINC000191969337 432320303 /nfs/dbraw/zinc/32/03/03/432320303.db2.gz JSABZCZBTSNSTJ-UHFFFAOYSA-N 0 0 320.776 3.270 10 30 DGEERN CCC(CC)c1cc(CNCc2cnc3ccc(C#N)cn23)on1 ZINC000174546465 432355186 /nfs/dbraw/zinc/35/51/86/432355186.db2.gz CFLGRYWQOOBSIW-UHFFFAOYSA-N 0 0 323.400 3.387 10 30 DGEERN COc1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2nccn2C)cc1 ZINC000248864525 432325443 /nfs/dbraw/zinc/32/54/43/432325443.db2.gz PZSYSSUYHWACTH-HFTRVMKXSA-N 0 0 324.428 3.190 10 30 DGEERN CC(C)C1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000174501367 432351848 /nfs/dbraw/zinc/35/18/48/432351848.db2.gz MTSLRCKSSKCRDI-AWEZNQCLSA-N 0 0 300.402 3.220 10 30 DGEERN CSc1ccccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000173882666 432306823 /nfs/dbraw/zinc/30/68/23/432306823.db2.gz DPOJORXMKBNHSV-UHFFFAOYSA-N 0 0 312.394 3.089 10 30 DGEERN N#Cc1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 ZINC000173891649 432306995 /nfs/dbraw/zinc/30/69/95/432306995.db2.gz TYPWUWDTCSZWLZ-UHFFFAOYSA-N 0 0 300.745 3.020 10 30 DGEERN C[C@H](CC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173908615 432307297 /nfs/dbraw/zinc/30/72/97/432307297.db2.gz PRVBHHPYDUOAIU-OAHLLOKOSA-N 0 0 308.381 3.247 10 30 DGEERN CCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(C#N)c(Cl)c1 ZINC000191932350 432315359 /nfs/dbraw/zinc/31/53/59/432315359.db2.gz HGDDMVLGDNTTCV-BXUZGUMPSA-N 0 0 306.793 3.380 10 30 DGEERN CCNC(=O)c1cccc(C)c1OCc1ccc(OC)c(C#N)c1 ZINC000153122138 432384928 /nfs/dbraw/zinc/38/49/28/432384928.db2.gz LAEARYANANZJAB-UHFFFAOYSA-N 0 0 324.380 3.204 10 30 DGEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000254290659 432401537 /nfs/dbraw/zinc/40/15/37/432401537.db2.gz PCVFZLPONQXWCM-UHFFFAOYSA-N 0 0 322.817 3.351 10 30 DGEERN C[C@@H]1CCCC(=NNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000254512576 432403921 /nfs/dbraw/zinc/40/39/21/432403921.db2.gz AKLZITCECTUCBB-SNVBAGLBSA-N 0 0 300.811 3.184 10 30 DGEERN C=CCCCN(C)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000153386161 432404354 /nfs/dbraw/zinc/40/43/54/432404354.db2.gz KIUXCYCMKWYQHW-UHFFFAOYSA-N 0 0 316.430 3.313 10 30 DGEERN COc1ccc(N=Cc2cc(OC)c3c(c2OC)OCO3)cc1 ZINC000254853845 432405134 /nfs/dbraw/zinc/40/51/34/432405134.db2.gz JNVODDUQSWYCQT-UHFFFAOYSA-N 0 0 315.325 3.192 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC000184774246 432431970 /nfs/dbraw/zinc/43/19/70/432431970.db2.gz SXZRIGWVHGWOME-DLBZAZTESA-N 0 0 300.402 3.190 10 30 DGEERN Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)c(C)c1 ZINC000175436166 432434958 /nfs/dbraw/zinc/43/49/58/432434958.db2.gz ZHDBFMLUMCIAKR-UHFFFAOYSA-N 0 0 323.396 3.053 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193010532 432438178 /nfs/dbraw/zinc/43/81/78/432438178.db2.gz PXJNCZSDCWXTHS-UHFFFAOYSA-N 0 0 323.462 3.410 10 30 DGEERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCO1 ZINC000193046779 432442097 /nfs/dbraw/zinc/44/20/97/432442097.db2.gz ZZPDDNCHGMPKHV-IUODEOHRSA-N 0 0 301.390 3.177 10 30 DGEERN CC(C)c1noc2ncc(C(=O)NCc3cccc(C#N)c3)cc21 ZINC000193084230 432447486 /nfs/dbraw/zinc/44/74/86/432447486.db2.gz ZBNDTERBGWNCOZ-UHFFFAOYSA-N 0 0 320.352 3.148 10 30 DGEERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193199315 432456978 /nfs/dbraw/zinc/45/69/78/432456978.db2.gz JTNYGOMAPMOAJL-AWEZNQCLSA-N 0 0 305.381 3.394 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645903 432422398 /nfs/dbraw/zinc/42/23/98/432422398.db2.gz TUUVLPXXIHFXKT-KGLIPLIRSA-N 0 0 319.405 3.059 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185164164 432472959 /nfs/dbraw/zinc/47/29/59/432472959.db2.gz BLBJZOLOCKQFIE-HZPDHXFCSA-N 0 0 302.374 3.402 10 30 DGEERN Cc1noc(C2CC2)c1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000154109799 432473054 /nfs/dbraw/zinc/47/30/54/432473054.db2.gz RCMHSUVSUFERJO-LLVKDONJSA-N 0 0 311.341 3.138 10 30 DGEERN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccnc(C#N)c1 ZINC000193527513 432480057 /nfs/dbraw/zinc/48/00/57/432480057.db2.gz VOWVCNAQMPNAGA-GOSISDBHSA-N 0 0 307.397 3.437 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193596279 432482310 /nfs/dbraw/zinc/48/23/10/432482310.db2.gz PLYKDRAJYJTODO-RDJZCZTQSA-N 0 0 301.386 3.035 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(CC)CC(=C)C ZINC000154264900 432486105 /nfs/dbraw/zinc/48/61/05/432486105.db2.gz RVSJGDLXOQMNLV-CALCHBBNSA-N 0 0 320.477 3.252 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)OCC)Cc1ccc(F)cc1 ZINC000185382371 432496350 /nfs/dbraw/zinc/49/63/50/432496350.db2.gz DLCPDIFGTMUFBN-AWEZNQCLSA-N 0 0 321.392 3.320 10 30 DGEERN COc1ccc(F)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000154559208 432505860 /nfs/dbraw/zinc/50/58/60/432505860.db2.gz LUPXAZBPXZILDR-LLVKDONJSA-N 0 0 314.316 3.112 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000185982362 432551935 /nfs/dbraw/zinc/55/19/35/432551935.db2.gz MOAPBNFBNREPJV-OLZOCXBDSA-N 0 0 323.462 3.215 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000186014893 432552796 /nfs/dbraw/zinc/55/27/96/432552796.db2.gz LRIRAKTVDNBLBR-CQSZACIVSA-N 0 0 312.417 3.221 10 30 DGEERN C#C[C@H](C)NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000186009823 432553286 /nfs/dbraw/zinc/55/32/86/432553286.db2.gz DFAIASYOUATLBW-QWHCGFSZSA-N 0 0 305.447 3.177 10 30 DGEERN COc1cc(OCc2ccn(-c3ccc(F)cc3)n2)ccc1C#N ZINC000194492943 432554540 /nfs/dbraw/zinc/55/45/40/432554540.db2.gz KOAFWUCXWHKDTF-UHFFFAOYSA-N 0 0 323.327 3.471 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000186057599 432556400 /nfs/dbraw/zinc/55/64/00/432556400.db2.gz KAQRTBKUZXATCF-LBPRGKRZSA-N 0 0 314.389 3.343 10 30 DGEERN C=CCn1c2ccccc2nc1SCc1nnc(CC)n1C ZINC000194652212 432565284 /nfs/dbraw/zinc/56/52/84/432565284.db2.gz PUPDHLBYLSGETO-UHFFFAOYSA-N 0 0 313.430 3.206 10 30 DGEERN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(C#N)cc1C ZINC000186121584 432560785 /nfs/dbraw/zinc/56/07/85/432560785.db2.gz YCMCQVHCKMWEBD-UHFFFAOYSA-N 0 0 322.290 3.180 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000186142187 432562499 /nfs/dbraw/zinc/56/24/99/432562499.db2.gz TXBINMGMBFFDHQ-CYBMUJFWSA-N 0 0 313.405 3.462 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000185776278 432531506 /nfs/dbraw/zinc/53/15/06/432531506.db2.gz WHSSDEOYKWWLKU-CYBMUJFWSA-N 0 0 320.399 3.369 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C1(c2ccccc2C)CCCCC1 ZINC000185882327 432540926 /nfs/dbraw/zinc/54/09/26/432540926.db2.gz OPYMBZHQBQFUGY-INIZCTEOSA-N 0 0 301.430 3.250 10 30 DGEERN C[C@@H]1COCC[C@H]1C(=O)Nc1ccccc1SCCC#N ZINC000194317771 432541607 /nfs/dbraw/zinc/54/16/07/432541607.db2.gz AHILEPCUGNZWRZ-CHWSQXEVSA-N 0 0 304.415 3.303 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000185915468 432544770 /nfs/dbraw/zinc/54/47/70/432544770.db2.gz MCTJOIXSOVUFNK-INIZCTEOSA-N 0 0 319.445 3.052 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000186542138 432605404 /nfs/dbraw/zinc/60/54/04/432605404.db2.gz MZGZOLLQQMBNKB-LBPRGKRZSA-N 0 0 316.323 3.240 10 30 DGEERN C=C(C)CN(CC)C(=O)CN1CCC(c2nc(C)cs2)CC1 ZINC000156723285 432605646 /nfs/dbraw/zinc/60/56/46/432605646.db2.gz AIVCIWXWFRQITP-UHFFFAOYSA-N 0 0 321.490 3.056 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195142663 432607646 /nfs/dbraw/zinc/60/76/46/432607646.db2.gz BWFDRQZTMVMTKH-UHFFFAOYSA-N 0 0 317.370 3.188 10 30 DGEERN COc1ccc(Nc2ccccc2C(=O)N[C@@H](C)CC#N)cc1 ZINC000194746998 432573829 /nfs/dbraw/zinc/57/38/29/432573829.db2.gz HDYHQSSYBATSME-ZDUSSCGKSA-N 0 0 309.369 3.471 10 30 DGEERN COc1cccc([C@@H]2CN(Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186259742 432574557 /nfs/dbraw/zinc/57/45/57/432574557.db2.gz GHVNQMHVVWRVKB-FQEVSTJZSA-N 0 0 322.408 3.449 10 30 DGEERN N#CC1(NC(=O)c2cccc(F)c2Br)CCCC1 ZINC000155831297 432577389 /nfs/dbraw/zinc/57/73/89/432577389.db2.gz JGZXTGYFUPRZNK-UHFFFAOYSA-N 0 0 311.154 3.154 10 30 DGEERN COC1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCCCC1 ZINC000186306041 432579610 /nfs/dbraw/zinc/57/96/10/432579610.db2.gz MKZCXXWSOBFIRZ-UHFFFAOYSA-N 0 0 312.413 3.321 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000186295135 432579682 /nfs/dbraw/zinc/57/96/82/432579682.db2.gz NLQGFHQXZKAOCG-SECBINFHSA-N 0 0 300.255 3.112 10 30 DGEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000156186275 432591685 /nfs/dbraw/zinc/59/16/85/432591685.db2.gz VVNWFCAITDLZAP-JTQLQIEISA-N 0 0 324.789 3.153 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000186409637 432592927 /nfs/dbraw/zinc/59/29/27/432592927.db2.gz KBLBSJBVZDKNEF-GDBMZVCRSA-N 0 0 304.434 3.318 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000186525684 432604326 /nfs/dbraw/zinc/60/43/26/432604326.db2.gz CZEVCFMEMSZGLF-CYBMUJFWSA-N 0 0 311.476 3.217 10 30 DGEERN CCc1csc([C@H]2CCCN(C[C@H](C#N)CCC#N)C2)n1 ZINC000195404158 432622061 /nfs/dbraw/zinc/62/20/61/432622061.db2.gz RISMIURRYIFLNQ-KBPBESRZSA-N 0 0 302.447 3.328 10 30 DGEERN C=CCCO[C@@H](C)c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000273655184 432623212 /nfs/dbraw/zinc/62/32/12/432623212.db2.gz DEFZFMQJQRJNNL-NSHDSACASA-N 0 0 302.330 3.043 10 30 DGEERN CN(CCc1ccc(F)cc1)C(=O)c1cccc(F)c1C#N ZINC000187067745 432644322 /nfs/dbraw/zinc/64/43/22/432644322.db2.gz WPVDPLRAXIYCNW-UHFFFAOYSA-N 0 0 300.308 3.151 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)CN(C(C)C)CC2 ZINC000274296275 432649075 /nfs/dbraw/zinc/64/90/75/432649075.db2.gz DDWQSURHOXZJBU-LBPRGKRZSA-N 0 0 307.463 3.450 10 30 DGEERN C#CCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000187175655 432650318 /nfs/dbraw/zinc/65/03/18/432650318.db2.gz QDUYDNSRFYOAHG-ACJLOTCBSA-N 0 0 307.349 3.202 10 30 DGEERN CC(C)CSCCCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000158606667 432651149 /nfs/dbraw/zinc/65/11/49/432651149.db2.gz OOTZGMMWSJMEOI-CQSZACIVSA-N 0 0 320.458 3.221 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000274314289 432651477 /nfs/dbraw/zinc/65/14/77/432651477.db2.gz YSZALEURGNUOCZ-XJKSGUPXSA-N 0 0 315.392 3.367 10 30 DGEERN COc1ccc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1C#N ZINC000158607651 432651741 /nfs/dbraw/zinc/65/17/41/432651741.db2.gz NQOOHBBVXQAYDM-GOSISDBHSA-N 0 0 312.369 3.042 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C1CC1 ZINC000188020320 432699382 /nfs/dbraw/zinc/69/93/82/432699382.db2.gz VZFUXWQDMAFCNQ-UHFFFAOYSA-N 0 0 300.402 3.098 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000188073534 432702104 /nfs/dbraw/zinc/70/21/04/432702104.db2.gz GVSQTQNIZYLEPG-UHFFFAOYSA-N 0 0 311.385 3.218 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000188066587 432702195 /nfs/dbraw/zinc/70/21/95/432702195.db2.gz XOFORZUOGOKEDZ-UHFFFAOYSA-N 0 0 314.345 3.422 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000188125450 432705061 /nfs/dbraw/zinc/70/50/61/432705061.db2.gz SYMVRBKJCFKDSN-FZKQIMNGSA-N 0 0 321.417 3.110 10 30 DGEERN CC(C)c1nc2c(n1C)CCN(CC#Cc1ccc(F)cc1)C2 ZINC000160035244 432705205 /nfs/dbraw/zinc/70/52/05/432705205.db2.gz ZLJBVTOVVXDBRU-UHFFFAOYSA-N 0 0 311.404 3.092 10 30 DGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000188290821 432716809 /nfs/dbraw/zinc/71/68/09/432716809.db2.gz CMFBMTNYOOTCMR-ONGXEEELSA-N 0 0 317.216 3.291 10 30 DGEERN CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(F)c1C#N ZINC000187669051 432676453 /nfs/dbraw/zinc/67/64/53/432676453.db2.gz YTRVLZHWWCAHSS-CYBMUJFWSA-N 0 0 304.365 3.119 10 30 DGEERN C=C(C)[C@@H](NCc1nnc(C)n1CC)c1ccc(F)c(F)c1 ZINC000187759085 432683603 /nfs/dbraw/zinc/68/36/03/432683603.db2.gz BNTQHMPVCUFYOG-MRXNPFEDSA-N 0 0 306.360 3.292 10 30 DGEERN C[C@H](Cc1cccs1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187896471 432691825 /nfs/dbraw/zinc/69/18/25/432691825.db2.gz DJRWQSQLTHZRAU-CYBMUJFWSA-N 0 0 310.422 3.399 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@](C)(C(=O)OCC)c1ccccc1 ZINC000188909441 432752382 /nfs/dbraw/zinc/75/23/82/432752382.db2.gz AVOYDRUUEYAMMN-KXBFYZLASA-N 0 0 317.429 3.226 10 30 DGEERN Cc1ccccc1N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000178552503 432752599 /nfs/dbraw/zinc/75/25/99/432752599.db2.gz IWBLHKLMXOIXLC-UHFFFAOYSA-N 0 0 319.408 3.138 10 30 DGEERN C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000178562587 432753012 /nfs/dbraw/zinc/75/30/12/432753012.db2.gz LDZMDHKFIZCQQH-CQSZACIVSA-N 0 0 313.372 3.181 10 30 DGEERN COc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2C)cc1OC ZINC000178579052 432753564 /nfs/dbraw/zinc/75/35/64/432753564.db2.gz XYSORFLLBAZBFZ-ZDUSSCGKSA-N 0 0 324.380 3.375 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000189141991 432766081 /nfs/dbraw/zinc/76/60/81/432766081.db2.gz GTKUSPAAPAUKQZ-YVEFUNNKSA-N 0 0 311.372 3.413 10 30 DGEERN CCOCc1ccccc1CNC(=O)c1ccc(C#N)cc1C ZINC000161208099 432767301 /nfs/dbraw/zinc/76/73/01/432767301.db2.gz LFMKLYNEKZCSDN-UHFFFAOYSA-N 0 0 308.381 3.333 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000178704626 432768643 /nfs/dbraw/zinc/76/86/43/432768643.db2.gz JYUKMLKWKSVJIU-UHFFFAOYSA-N 0 0 313.445 3.203 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189193169 432770223 /nfs/dbraw/zinc/77/02/23/432770223.db2.gz KHKGPBDDEZTMOA-KRWDZBQOSA-N 0 0 309.450 3.165 10 30 DGEERN COc1cccc(N2CCC[C@@H](Nc3nc(C)ccc3C#N)C2)c1 ZINC000161488294 432781498 /nfs/dbraw/zinc/78/14/98/432781498.db2.gz GTURQTVJNWISJS-MRXNPFEDSA-N 0 0 322.412 3.351 10 30 DGEERN C=CCC[C@H](C(=O)N[C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000188481389 432726857 /nfs/dbraw/zinc/72/68/57/432726857.db2.gz ZTVZCPJYOUYBGI-DLBZAZTESA-N 0 0 324.428 3.288 10 30 DGEERN C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1F ZINC000188596383 432733663 /nfs/dbraw/zinc/73/36/63/432733663.db2.gz VFHYFXXWIIMBAS-SNVBAGLBSA-N 0 0 316.307 3.076 10 30 DGEERN CC1(C)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000188754031 432743361 /nfs/dbraw/zinc/74/33/61/432743361.db2.gz KJFPGVOZASCELU-UHFFFAOYSA-N 0 0 302.378 3.170 10 30 DGEERN C[C@@H](C#N)CNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000178503903 432745322 /nfs/dbraw/zinc/74/53/22/432745322.db2.gz BMANFHHTFBBRBZ-WDEREUQCSA-N 0 0 309.207 3.219 10 30 DGEERN C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000188777141 432746053 /nfs/dbraw/zinc/74/60/53/432746053.db2.gz RGCSZRLKNOMLGH-ZDUSSCGKSA-N 0 0 306.365 3.173 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1cccc(N(C)C)c1 ZINC000276606509 432822445 /nfs/dbraw/zinc/82/24/45/432822445.db2.gz OZDMVHSBBREMTC-UHFFFAOYSA-N 0 0 314.351 3.262 10 30 DGEERN N#C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C1CC1 ZINC000161691126 432793277 /nfs/dbraw/zinc/79/32/77/432793277.db2.gz BMXTYTJYKFJCEW-KRWDZBQOSA-N 0 0 324.355 3.437 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000161752763 432797102 /nfs/dbraw/zinc/79/71/02/432797102.db2.gz TXKMTBRMEPLZKA-CXAGYDPISA-N 0 0 300.402 3.192 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000189590973 432802246 /nfs/dbraw/zinc/80/22/46/432802246.db2.gz WJTGGDFCFXDBCH-CRAIPNDOSA-N 0 0 303.402 3.164 10 30 DGEERN CCOC(=O)[C@@H](NCc1ccc(C#N)o1)c1cccc(C)c1C ZINC000189667599 432808870 /nfs/dbraw/zinc/80/88/70/432808870.db2.gz LNXIIDANHFKCNM-KRWDZBQOSA-N 0 0 312.369 3.162 10 30 DGEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000245865607 432866384 /nfs/dbraw/zinc/86/63/84/432866384.db2.gz JTOHHLDHIPVAOL-KBRIMQKVSA-N 0 0 318.442 3.041 10 30 DGEERN Cc1c(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cccc1NC(=O)N(C)C ZINC000329918662 432883822 /nfs/dbraw/zinc/88/38/22/432883822.db2.gz RIAUGKCKTBTXPY-GLQYFDAESA-N 0 0 317.389 3.115 10 30 DGEERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000330037676 432889794 /nfs/dbraw/zinc/88/97/94/432889794.db2.gz ZKBRSWUKTCCBKA-NWDGAFQWSA-N 0 0 305.378 3.334 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000288196259 432890526 /nfs/dbraw/zinc/89/05/26/432890526.db2.gz PDQAJYBVFRJSNN-GJZGRUSLSA-N 0 0 324.346 3.261 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1cnc(C(C)(C)C)s1 ZINC000278401421 432892991 /nfs/dbraw/zinc/89/29/91/432892991.db2.gz NSTWRUMDUSNCEH-CHWSQXEVSA-N 0 0 309.431 3.465 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000330115018 432893163 /nfs/dbraw/zinc/89/31/63/432893163.db2.gz FIFFGYGPDPOJSP-SQWLQELKSA-N 0 0 314.385 3.023 10 30 DGEERN C=CCC[C@@H](C(=O)N1CCc2cc[nH]c(=O)c2C1)c1ccccc1 ZINC000277352832 432841365 /nfs/dbraw/zinc/84/13/65/432841365.db2.gz ZWUJLZAJPONKPO-QGZVFWFLSA-N 0 0 322.408 3.422 10 30 DGEERN COc1ccc(CNc2ccccc2C(=O)NC(C)C)cc1C#N ZINC000163070559 432842041 /nfs/dbraw/zinc/84/20/41/432842041.db2.gz PUWLWWVTZBFUQT-UHFFFAOYSA-N 0 0 323.396 3.317 10 30 DGEERN N#Cc1cc(F)c(C(=O)NCCc2cc(F)ccc2F)c(F)c1 ZINC000154675205 292687149 /nfs/dbraw/zinc/68/71/49/292687149.db2.gz LSQCWMVHMOGWAH-UHFFFAOYSA-N 0 0 322.261 3.087 10 30 DGEERN C=CCC[C@@H](NC(=O)NCc1nccn1CC)c1ccccc1 ZINC000296596313 432924025 /nfs/dbraw/zinc/92/40/25/432924025.db2.gz VXFKURXZUIIJDT-MRXNPFEDSA-N 0 0 312.417 3.410 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000297015011 432950230 /nfs/dbraw/zinc/95/02/30/432950230.db2.gz VUCXPXBDJCGHMV-QGZVFWFLSA-N 0 0 322.412 3.055 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc2cnccc2c1 ZINC000296817446 432928113 /nfs/dbraw/zinc/92/81/13/432928113.db2.gz GSEIBTVBZZIUOC-NVXWUHKLSA-N 0 0 311.385 3.338 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H]1CCOC1(C)C)c1ccc(F)c(F)c1 ZINC000296847500 432931503 /nfs/dbraw/zinc/93/15/03/432931503.db2.gz MBWCQGAOFMRVHL-CABCVRRESA-N 0 0 324.371 3.449 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000296882453 432934834 /nfs/dbraw/zinc/93/48/34/432934834.db2.gz NGITZLATFCSBHU-CQSZACIVSA-N 0 0 310.319 3.152 10 30 DGEERN C#CCC(CC#C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000289348511 432946970 /nfs/dbraw/zinc/94/69/70/432946970.db2.gz LFSVFYLIKFFNHR-XUVXKRRUSA-N 0 0 305.421 3.444 10 30 DGEERN CC[C@@H]1OCCC[C@H]1C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000330281007 432901988 /nfs/dbraw/zinc/90/19/88/432901988.db2.gz TZUCNPYZYVWTGX-HIFRSBDPSA-N 0 0 314.389 3.275 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000278911142 432916414 /nfs/dbraw/zinc/91/64/14/432916414.db2.gz ZYBTVYNXWKXLJA-BSDSXHPESA-N 0 0 315.413 3.004 10 30 DGEERN C#CCOc1ccccc1NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000296553944 432922099 /nfs/dbraw/zinc/92/20/99/432922099.db2.gz CAIWGYMLJVGIOI-GOEBONIOSA-N 0 0 320.339 3.208 10 30 DGEERN C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000279625739 432989157 /nfs/dbraw/zinc/98/91/57/432989157.db2.gz IDPSBTYGWNETOR-RHSMWYFYSA-N 0 0 312.413 3.007 10 30 DGEERN C=C(C)CN(CC)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000297366420 432993179 /nfs/dbraw/zinc/99/31/79/432993179.db2.gz PGTMMMGUABFTPL-UHFFFAOYSA-N 0 0 315.339 3.251 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2cccn2C)cc1 ZINC000297471864 432995901 /nfs/dbraw/zinc/99/59/01/432995901.db2.gz DDXRVQCAQQODSY-IBGZPJMESA-N 0 0 321.424 3.443 10 30 DGEERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000156154455 292724668 /nfs/dbraw/zinc/72/46/68/292724668.db2.gz KYLAQAPFQAYQGO-LBPRGKRZSA-N 0 0 318.373 3.045 10 30 DGEERN C=C[C@](C)(O)CC(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC000425030287 433078856 /nfs/dbraw/zinc/07/88/56/433078856.db2.gz MEJGKAHZOOKABF-INIZCTEOSA-N 0 0 311.809 3.027 10 30 DGEERN CC#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425037523 433081195 /nfs/dbraw/zinc/08/11/95/433081195.db2.gz KPPBFQWYGHTDET-GDBMZVCRSA-N 0 0 307.434 3.149 10 30 DGEERN C=CCC[C@@H]1NC(=O)N([C@H]2CCCc3c(F)cccc32)C1=O ZINC000419964570 433088195 /nfs/dbraw/zinc/08/81/95/433088195.db2.gz IVNCHMZOSPKXLU-GJZGRUSLSA-N 0 0 302.349 3.090 10 30 DGEERN Cc1sc(NC(=O)CN2CCCC23CCC3)c(C#N)c1C ZINC000373094377 433090420 /nfs/dbraw/zinc/09/04/20/433090420.db2.gz HVGMLPDQKPHWEJ-UHFFFAOYSA-N 0 0 303.431 3.194 10 30 DGEERN C=C[C@@H](CC(=O)NCCc1cccnc1OC)c1ccccc1 ZINC000290567873 433102789 /nfs/dbraw/zinc/10/27/89/433102789.db2.gz XPJAKCYZFWFPHI-HNNXBMFYSA-N 0 0 310.397 3.109 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C(C)C)C2)cc1 ZINC000446825479 433111868 /nfs/dbraw/zinc/11/18/68/433111868.db2.gz ZSXHDICKMHMFQY-HNNXBMFYSA-N 0 0 315.417 3.112 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374514494 433207062 /nfs/dbraw/zinc/20/70/62/433207062.db2.gz PARQCJFWBQKQJM-IRXDYDNUSA-N 0 0 302.418 3.372 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373764550 433159687 /nfs/dbraw/zinc/15/96/87/433159687.db2.gz DNSCSZXAYJSBIC-OVWQWFNUSA-N 0 0 324.465 3.099 10 30 DGEERN C=CCC[C@H](C(=O)N[C@H]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000298526568 433166162 /nfs/dbraw/zinc/16/61/62/433166162.db2.gz WWYUQGFJQZKQLB-NJAFHUGGSA-N 0 0 301.430 3.404 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000373986026 433173595 /nfs/dbraw/zinc/17/35/95/433173595.db2.gz MQYRBGKBRDXXTF-INIZCTEOSA-N 0 0 310.401 3.298 10 30 DGEERN CN(c1cccc(F)c1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336658690 433175443 /nfs/dbraw/zinc/17/54/43/433175443.db2.gz SCQRMWOWVPLUDY-MRXNPFEDSA-N 0 0 309.388 3.408 10 30 DGEERN C=CCn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453434363 433182274 /nfs/dbraw/zinc/18/22/74/433182274.db2.gz FLUJGIGTQVOMOG-CRAIPNDOSA-N 0 0 318.465 3.362 10 30 DGEERN C=CCn1c(N(CC)CCC2CC2)nnc1[C@]1(C)CCCO1 ZINC000453446682 433189683 /nfs/dbraw/zinc/18/96/83/433189683.db2.gz WIJSOFXERARNRY-KRWDZBQOSA-N 0 0 304.438 3.116 10 30 DGEERN C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](COC)CC1 ZINC000453447969 433190201 /nfs/dbraw/zinc/19/02/01/433190201.db2.gz BOKYYWWFGMDWKU-HNNXBMFYSA-N 0 0 318.465 3.375 10 30 DGEERN C=CCn1c(N(C)[C@H](C)c2ccco2)nnc1[C@@]1(C)CCCO1 ZINC000453443622 433191518 /nfs/dbraw/zinc/19/15/18/433191518.db2.gz RBSZZAYLAUMRGJ-CXAGYDPISA-N 0 0 316.405 3.280 10 30 DGEERN C=C(C)Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453470906 433201607 /nfs/dbraw/zinc/20/16/07/433201607.db2.gz RSLXQIOHJKRXCL-GRDNDAEWSA-N 0 0 304.438 3.115 10 30 DGEERN C=C(C)Cn1c(N(C)CCCSC)nnc1[C@@]1(C)CCCO1 ZINC000453471187 433202609 /nfs/dbraw/zinc/20/26/09/433202609.db2.gz SNWYBGKSQCBWNL-MRXNPFEDSA-N 0 0 324.494 3.069 10 30 DGEERN C=C1CCN(c2nnc([C@@]3(C)CCCO3)n2CC(C)C)CC1 ZINC000453486313 433205728 /nfs/dbraw/zinc/20/57/28/433205728.db2.gz ZGZROAFWXIQZTB-QGZVFWFLSA-N 0 0 304.438 3.116 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(C)c1 ZINC000447495259 433206293 /nfs/dbraw/zinc/20/62/93/433206293.db2.gz HXQOUUVGXQOSHO-UHFFFAOYSA-N 0 0 311.341 3.127 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N1CCc2cccc(F)c2C1 ZINC000291078313 433221502 /nfs/dbraw/zinc/22/15/02/433221502.db2.gz RENWJXYAJGBPMJ-UHFFFAOYSA-N 0 0 312.392 3.433 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000281066602 433260500 /nfs/dbraw/zinc/26/05/00/433260500.db2.gz MEPRVVDWWPZLOR-INWMFGNUSA-N 0 0 300.402 3.366 10 30 DGEERN C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000281140784 433268122 /nfs/dbraw/zinc/26/81/22/433268122.db2.gz VEJOXSQJMSHRBW-SOUVJXGZSA-N 0 0 301.386 3.032 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)Cc1ccc(Cl)cc1 ZINC000425594442 433314787 /nfs/dbraw/zinc/31/47/87/433314787.db2.gz YUUUPCPJMQZHMC-HOCLYGCPSA-N 0 0 322.836 3.463 10 30 DGEERN C=CCOc1cccc(NC(=O)[C@@H](OC)c2ccc(O)cc2)c1 ZINC000361602447 433280698 /nfs/dbraw/zinc/28/06/98/433280698.db2.gz RHGDSOWSLXTQNN-KRWDZBQOSA-N 0 0 313.353 3.283 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CC)CC=C)C1 ZINC000298962676 433286109 /nfs/dbraw/zinc/28/61/09/433286109.db2.gz OLFIRAFEHHIRCU-WNKDZCFJSA-N 0 0 320.477 3.345 10 30 DGEERN C=CCCCNc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000447814732 433290215 /nfs/dbraw/zinc/29/02/15/433290215.db2.gz AXMALHKWTPGABP-UHFFFAOYSA-N 0 0 307.397 3.663 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000425565187 433301840 /nfs/dbraw/zinc/30/18/40/433301840.db2.gz BBSKAVRMXQFKRA-BBWFWOEESA-N 0 0 306.450 3.332 10 30 DGEERN Cc1ccnc(C2CCN(c3c(F)cc(C#N)cc3F)CC2)n1 ZINC000374925975 433310878 /nfs/dbraw/zinc/31/08/78/433310878.db2.gz JQKRGWOFVKTNSV-UHFFFAOYSA-N 0 0 314.339 3.319 10 30 DGEERN C=CCCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000448029177 433350401 /nfs/dbraw/zinc/35/04/01/433350401.db2.gz GHQBZXHHHYEJII-UHFFFAOYSA-N 0 0 307.825 3.138 10 30 DGEERN C=CCCCNC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000448034494 433356808 /nfs/dbraw/zinc/35/68/08/433356808.db2.gz IYQPEELNGRIYMP-UHFFFAOYSA-N 0 0 321.852 3.133 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C(C)C ZINC000425855980 433362697 /nfs/dbraw/zinc/36/26/97/433362697.db2.gz NJAVHJHVFPFWQZ-IRXDYDNUSA-N 0 0 302.418 3.198 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCCC[C@@H](CCOC)C2)c1 ZINC000375114157 433363789 /nfs/dbraw/zinc/36/37/89/433363789.db2.gz LJKSPHLMXCCKSY-INIZCTEOSA-N 0 0 300.402 3.338 10 30 DGEERN C=CC(C)(C)CNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C ZINC000454302111 433367273 /nfs/dbraw/zinc/36/72/73/433367273.db2.gz MPMKIATYSVFLFT-UHFFFAOYSA-N 0 0 318.808 3.078 10 30 DGEERN C=C(CC)CNC(=O)NCc1cc(F)cc(Br)c1 ZINC000454309566 433371280 /nfs/dbraw/zinc/37/12/80/433371280.db2.gz VTULYKMFCNTRDN-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCOCC1 ZINC000425642487 433333325 /nfs/dbraw/zinc/33/33/25/433333325.db2.gz YXJPBZROYQBXMT-HNNXBMFYSA-N 0 0 312.413 3.451 10 30 DGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC000413985446 433335766 /nfs/dbraw/zinc/33/57/66/433335766.db2.gz KDECNLUDSSJDGJ-KRWDZBQOSA-N 0 0 311.429 3.001 10 30 DGEERN C=CCCCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000447974146 433335948 /nfs/dbraw/zinc/33/59/48/433335948.db2.gz WUQLYWCLEHAZRF-KRWDZBQOSA-N 0 0 318.417 3.420 10 30 DGEERN C=CCCCNC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000447980603 433336770 /nfs/dbraw/zinc/33/67/70/433336770.db2.gz CVWAWIZHHFQQGL-UHFFFAOYSA-N 0 0 303.406 3.168 10 30 DGEERN C=CCCCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000447983140 433338018 /nfs/dbraw/zinc/33/80/18/433338018.db2.gz PGEQHDBVSZBFAM-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000447994560 433340788 /nfs/dbraw/zinc/34/07/88/433340788.db2.gz XBTBALRALSPSKN-AWEZNQCLSA-N 0 0 307.825 3.184 10 30 DGEERN C=CCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000447989645 433342275 /nfs/dbraw/zinc/34/22/75/433342275.db2.gz ITLDPZICBLQWBQ-HZPDHXFCSA-N 0 0 321.852 3.351 10 30 DGEERN C=CCCCNC(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000447997812 433343176 /nfs/dbraw/zinc/34/31/76/433343176.db2.gz FKHGKLCVEDYMGM-MRXNPFEDSA-N 0 0 301.434 3.168 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000425982954 433393700 /nfs/dbraw/zinc/39/37/00/433393700.db2.gz YVNMDYISZVDORE-SQNIBIBYSA-N 0 0 313.445 3.182 10 30 DGEERN C=CCCCNC(=O)N1CCc2ccc(Br)cc21 ZINC000448388023 433404426 /nfs/dbraw/zinc/40/44/26/433404426.db2.gz YNTZIEHSXHNFFJ-UHFFFAOYSA-N 0 0 309.207 3.487 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000448373752 433405607 /nfs/dbraw/zinc/40/56/07/433405607.db2.gz IJEPCCHCFFFFDD-UHFFFAOYSA-N 0 0 301.173 3.014 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000361842891 433415958 /nfs/dbraw/zinc/41/59/58/433415958.db2.gz KLYAKKVVEDFOSM-MRXNPFEDSA-N 0 0 310.401 3.481 10 30 DGEERN C=CCOc1ccccc1CNC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000454484859 433443346 /nfs/dbraw/zinc/44/33/46/433443346.db2.gz MFZXWTGVVBMFEH-HOTGVXAUSA-N 0 0 300.402 3.097 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N1CCC[C@](C)(F)C1 ZINC000454484816 433445618 /nfs/dbraw/zinc/44/56/18/433445618.db2.gz MFMSMCZJHSWWHM-KRWDZBQOSA-N 0 0 306.381 3.285 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000448611188 433453799 /nfs/dbraw/zinc/45/37/99/433453799.db2.gz MROQBVUXIRPFKP-OWCLPIDISA-N 0 0 305.805 3.498 10 30 DGEERN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C#N)n1C ZINC000448640287 433470333 /nfs/dbraw/zinc/47/03/33/433470333.db2.gz URWHQVWIUSSUKP-UHFFFAOYSA-N 0 0 321.302 3.188 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282176637 433521432 /nfs/dbraw/zinc/52/14/32/433521432.db2.gz OEURHIXGRRZCEG-CABCVRRESA-N 0 0 316.449 3.073 10 30 DGEERN COc1ccc([C@@H](O)CNc2cc(C#N)nc3ccccc32)cc1 ZINC000301362114 433523313 /nfs/dbraw/zinc/52/33/13/433523313.db2.gz QSQBWHQNRAJAKU-IBGZPJMESA-N 0 0 319.364 3.261 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000455415212 433541610 /nfs/dbraw/zinc/54/16/10/433541610.db2.gz ROPWTUSNJSIRGU-NKKGCODLSA-N 0 0 318.392 3.262 10 30 DGEERN C=C[C@@H](Cc1nc(COC[C@@H]2CCOC2)no1)c1ccccc1 ZINC000351397622 433502453 /nfs/dbraw/zinc/50/24/53/433502453.db2.gz FCXAEQMLODFBFI-CABCVRRESA-N 0 0 314.385 3.135 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000292481872 433567263 /nfs/dbraw/zinc/56/72/63/433567263.db2.gz APDFINMMWGBCMM-UHFFFAOYSA-N 0 0 322.405 3.436 10 30 DGEERN C=CCCOCCCCC(=O)N1CCC(n2cncc2C)CC1 ZINC000356286769 433569615 /nfs/dbraw/zinc/56/96/15/433569615.db2.gz YIBSOPUQEGLNKN-UHFFFAOYSA-N 0 0 319.449 3.118 10 30 DGEERN COc1cc(CC(=O)N[C@](C)(C#N)CC(C)C)ccc1Cl ZINC000448846594 433577747 /nfs/dbraw/zinc/57/77/47/433577747.db2.gz UCYLYHRDFXNKNG-INIZCTEOSA-N 0 0 308.809 3.336 10 30 DGEERN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(F)c2C#N)C1 ZINC000188262418 296970547 /nfs/dbraw/zinc/97/05/47/296970547.db2.gz NCTZFMNSAJSHHN-CYBMUJFWSA-N 0 0 323.371 3.430 10 30 DGEERN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167157 292830244 /nfs/dbraw/zinc/83/02/44/292830244.db2.gz IPIYOTDKTMVNIL-SMDDNHRTSA-N 0 0 314.414 3.083 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000362143847 433546781 /nfs/dbraw/zinc/54/67/81/433546781.db2.gz YLDPINDFUXVABP-MSOLQXFVSA-N 0 0 316.420 3.456 10 30 DGEERN O[C@@H](CN[C@@H](c1ccc(F)cc1)C(F)(F)F)CC(F)(F)F ZINC000362154461 433548446 /nfs/dbraw/zinc/54/84/46/433548446.db2.gz HKZKSDNIDPHEPK-ZJUUUORDSA-N 0 0 319.220 3.332 10 30 DGEERN Cc1nnc(NCc2cc(Cl)c(Cl)n2C)c(C#N)c1C ZINC000301637890 433649157 /nfs/dbraw/zinc/64/91/57/433649157.db2.gz LHYFJSJKVJJTLV-UHFFFAOYSA-N 0 0 310.188 3.223 10 30 DGEERN Cc1cc(C#N)cc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342352940 433632631 /nfs/dbraw/zinc/63/26/31/433632631.db2.gz VFXPZEBLLWRMCU-KRWDZBQOSA-N 0 0 320.440 3.363 10 30 DGEERN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)C1CC1 ZINC000293163239 433638883 /nfs/dbraw/zinc/63/88/83/433638883.db2.gz XIEKPNGBTLAXDE-CQSZACIVSA-N 0 0 311.433 3.075 10 30 DGEERN C=CCn1c(C2CC2)nnc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000282645052 433621817 /nfs/dbraw/zinc/62/18/17/433621817.db2.gz QCYGNQTVCGDFIV-JTQLQIEISA-N 0 0 300.328 3.120 10 30 DGEERN CCCc1nc([C@@H](Nc2ccc(C#N)cn2)c2ccccc2)no1 ZINC000301641482 433653138 /nfs/dbraw/zinc/65/31/38/433653138.db2.gz BKHLFSJRCYDCJH-KRWDZBQOSA-N 0 0 319.368 3.490 10 30 DGEERN C=C[C@@H](C)NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000362369935 433663807 /nfs/dbraw/zinc/66/38/07/433663807.db2.gz IQRNTDWURZUTPT-GFCCVEGCSA-N 0 0 304.390 3.016 10 30 DGEERN C[C@H](Nc1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1 ZINC000301667779 433666008 /nfs/dbraw/zinc/66/60/08/433666008.db2.gz PBJPUADEKBDFLB-LBPRGKRZSA-N 0 0 307.332 3.451 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000293238883 433666039 /nfs/dbraw/zinc/66/60/39/433666039.db2.gz FFAPUDHWYJCIIS-KOLCDFICSA-N 0 0 314.838 3.015 10 30 DGEERN C=CCC1(CNC(=O)[C@@H]2CCCN2c2nccs2)CCCC1 ZINC000456489390 433690713 /nfs/dbraw/zinc/69/07/13/433690713.db2.gz UEPZQIYAAXYHJN-AWEZNQCLSA-N 0 0 319.474 3.365 10 30 DGEERN CCc1nnc(N[C@H](C)c2ccc3c(c2)OCO3)c(C#N)c1CC ZINC000301631072 433651568 /nfs/dbraw/zinc/65/15/68/433651568.db2.gz TUFKBYXUOGAJLL-LLVKDONJSA-N 0 0 324.384 3.375 10 30 DGEERN Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC000407961179 293053808 /nfs/dbraw/zinc/05/38/08/293053808.db2.gz BNGZQUVRDKNBPT-ZDUSSCGKSA-N 0 0 300.387 3.019 10 30 DGEERN Cc1cc(NCc2ccnc(N3CCCC3)c2)c(C#N)c(C)n1 ZINC000301778513 433721553 /nfs/dbraw/zinc/72/15/53/433721553.db2.gz MCDOSKSYMTUQDI-UHFFFAOYSA-N 0 0 307.401 3.177 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362491779 433732929 /nfs/dbraw/zinc/73/29/29/433732929.db2.gz FSTSPKFHVONSPC-NWDGAFQWSA-N 0 0 304.415 3.455 10 30 DGEERN COc1cccc([C@@H]2C[C@@H](O)CN2c2cccc(F)c2C#N)c1 ZINC000283517322 433739473 /nfs/dbraw/zinc/73/94/73/433739473.db2.gz MVPQYGHHMWBORL-ACJLOTCBSA-N 0 0 312.344 3.018 10 30 DGEERN C=CCC[C@@H](NC(=O)c1coc2cc(F)ccc12)C(=O)OCC ZINC000456609638 433747117 /nfs/dbraw/zinc/74/71/17/433747117.db2.gz OWULRPQTGHIZGA-CQSZACIVSA-N 0 0 319.332 3.200 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000283629357 433752853 /nfs/dbraw/zinc/75/28/53/433752853.db2.gz XZVKSBKZOQDAHW-HNNXBMFYSA-N 0 0 324.424 3.442 10 30 DGEERN C=CCC[C@@H](NC(=O)c1cccc(SC)c1)C(=O)OCC ZINC000456638459 433757656 /nfs/dbraw/zinc/75/76/56/433757656.db2.gz GZBWFLSIMBTDFQ-CQSZACIVSA-N 0 0 307.415 3.036 10 30 DGEERN C=CCC1(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)CCC1 ZINC000456640062 433759327 /nfs/dbraw/zinc/75/93/27/433759327.db2.gz GGXQHJMAYFFVIG-ZDUSSCGKSA-N 0 0 318.383 3.075 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)CCCCC1 ZINC000456673827 433770943 /nfs/dbraw/zinc/77/09/43/433770943.db2.gz DYOUSIQUVJZDOX-OLZOCXBDSA-N 0 0 319.367 3.285 10 30 DGEERN Cc1nccn1-c1ccc(CNc2cc(C)nc(C)c2C#N)cn1 ZINC000301787793 433723835 /nfs/dbraw/zinc/72/38/35/433723835.db2.gz PNZNVHFKBQZOPS-UHFFFAOYSA-N 0 0 318.384 3.071 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H]1CSc2ccccc2O1 ZINC000449828461 433823221 /nfs/dbraw/zinc/82/32/21/433823221.db2.gz XEDPQCBLZKWRMD-DYVFJYSZSA-N 0 0 318.442 3.374 10 30 DGEERN C=CCCCC(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000362591973 433779265 /nfs/dbraw/zinc/77/92/65/433779265.db2.gz LRNTWPGCHAMUTN-NSHDSACASA-N 0 0 310.419 3.162 10 30 DGEERN CC#CC(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283825603 433783049 /nfs/dbraw/zinc/78/30/49/433783049.db2.gz UFKUYWPQTUZHHZ-NVXWUHKLSA-N 0 0 322.811 3.142 10 30 DGEERN CC(C)Oc1ccccc1CC(=O)N1CCC(C)(C#N)CC1 ZINC000356979113 433796764 /nfs/dbraw/zinc/79/67/64/433796764.db2.gz QVSOIPXMWJYJSK-UHFFFAOYSA-N 0 0 300.402 3.169 10 30 DGEERN N#Cc1cccc([C@@H]2CN(C(=O)c3ccoc3C3CC3)CCO2)c1 ZINC000376753668 433813067 /nfs/dbraw/zinc/81/30/67/433813067.db2.gz YWZFXYOTXVEQSE-KRWDZBQOSA-N 0 0 322.364 3.242 10 30 DGEERN C=CCC1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCCC1 ZINC000449852289 433836848 /nfs/dbraw/zinc/83/68/48/433836848.db2.gz SNCBEMXOONJLAO-INIZCTEOSA-N 0 0 312.413 3.045 10 30 DGEERN C[C@H](CN1CCN(C2CC2)[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000377010930 433843241 /nfs/dbraw/zinc/84/32/41/433843241.db2.gz WTNNANPOWSVLMI-CXAGYDPISA-N 0 0 303.837 3.116 10 30 DGEERN C=C(C)CS(=O)(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000377063719 433847755 /nfs/dbraw/zinc/84/77/55/433847755.db2.gz YQYSOTVGMDWKEW-CQSZACIVSA-N 0 0 316.426 3.305 10 30 DGEERN CN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302765041 433855707 /nfs/dbraw/zinc/85/57/07/433855707.db2.gz ZJRZIQZZUMFKKD-UHFFFAOYSA-N 0 0 302.721 3.151 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000285382521 433932691 /nfs/dbraw/zinc/93/26/91/433932691.db2.gz LBGKNQLAISPEST-ZIAGYGMSSA-N 0 0 323.458 3.260 10 30 DGEERN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)n2C)C1 ZINC000449957775 433892764 /nfs/dbraw/zinc/89/27/64/433892764.db2.gz DTHUUFLWVCJKNX-SJCJKPOMSA-N 0 0 311.360 3.259 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@@H](COC)CC1 ZINC000457028884 433943766 /nfs/dbraw/zinc/94/37/66/433943766.db2.gz HJFMSDXMMKCNIK-OAHLLOKOSA-N 0 0 303.402 3.140 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1sc([C@@H](C)OC)nc1C ZINC000362993860 433944142 /nfs/dbraw/zinc/94/41/42/433944142.db2.gz SYPHOTKMEMVIME-SECBINFHSA-N 0 0 322.352 3.349 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](CO)c2ccccc2)CCCCC1 ZINC000450059324 433947455 /nfs/dbraw/zinc/94/74/55/433947455.db2.gz STAWPMFBKCDLBJ-KRWDZBQOSA-N 0 0 301.430 3.405 10 30 DGEERN C=CCC1(C(=O)N(C)Cc2nc([C@H](C)OC)no2)CCCCC1 ZINC000450036362 433936564 /nfs/dbraw/zinc/93/65/64/433936564.db2.gz XBOCXFWSIIMUMN-ZDUSSCGKSA-N 0 0 321.421 3.262 10 30 DGEERN C=CCc1cccc(C(C)C)c1NCCCS(=O)(=O)N(C)C ZINC000352555045 434047016 /nfs/dbraw/zinc/04/70/16/434047016.db2.gz ZMGYDAWWFBMFOO-UHFFFAOYSA-N 0 0 324.490 3.232 10 30 DGEERN Cc1nnc([C@H](C)NC(=O)N2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000329550827 293870819 /nfs/dbraw/zinc/87/08/19/293870819.db2.gz AHJFBUBQRCWIGL-JOYOIKCWSA-N 0 0 306.435 3.086 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC000285570658 433999919 /nfs/dbraw/zinc/99/99/19/433999919.db2.gz AGHUQAKXCNICLH-GUDVDZBRSA-N 0 0 313.441 3.333 10 30 DGEERN CC(=O)c1ccc(CNc2cc(C#N)c3ccccc3n2)nc1C ZINC000346213029 434208011 /nfs/dbraw/zinc/20/80/11/434208011.db2.gz XXZLDRRIPWVVKP-UHFFFAOYSA-N 0 0 316.364 3.625 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000450509426 434239827 /nfs/dbraw/zinc/23/98/27/434239827.db2.gz KKMOOLREUSKWPA-ZNFPLGDCSA-N 0 0 305.381 3.215 10 30 DGEERN C=CCN(CCC#N)c1nc(C)cc(OCc2ccccc2)n1 ZINC000450540492 434254089 /nfs/dbraw/zinc/25/40/89/434254089.db2.gz PQSSQBITZMSXBO-UHFFFAOYSA-N 0 0 308.385 3.270 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(F)c(CSC)c1 ZINC000437483055 434268252 /nfs/dbraw/zinc/26/82/52/434268252.db2.gz KRMNSOQNNXZETG-CJNGLKHVSA-N 0 0 323.433 3.400 10 30 DGEERN CC[C@@H](CO)Nc1c(Br)cc(Cl)cc1C#N ZINC000381749090 434275682 /nfs/dbraw/zinc/27/56/82/434275682.db2.gz QSHSXTXPGANENU-VIFPVBQESA-N 0 0 303.587 3.157 10 30 DGEERN CC1(C#N)CCN(C(=O)c2ccsc2Br)CC1 ZINC000450502209 434231361 /nfs/dbraw/zinc/23/13/61/434231361.db2.gz SRLCEFLDARNONK-UHFFFAOYSA-N 0 0 313.220 3.276 10 30 DGEERN CCO[C@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)C12CCCC2 ZINC000365018298 434287530 /nfs/dbraw/zinc/28/75/30/434287530.db2.gz VXWROMNXEULQQN-GJZGRUSLSA-N 0 0 319.449 3.059 10 30 DGEERN O=C(CCCn1ccnc1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328616071 434287658 /nfs/dbraw/zinc/28/76/58/434287658.db2.gz ZYWYMEBHVQBNDK-SJLPKXTDSA-N 0 0 313.401 3.398 10 30 DGEERN C=C[C@H](CC(=O)N1CCOC[C@@H]1CC(F)F)c1ccccc1 ZINC000286760422 434290864 /nfs/dbraw/zinc/29/08/64/434290864.db2.gz PMLHHFVVTFKFDK-HIFRSBDPSA-N 0 0 309.356 3.229 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CC=C(c2cccc(OC)c2)CC1 ZINC000365238042 434292095 /nfs/dbraw/zinc/29/20/95/434292095.db2.gz NBFTUTVRXUFICV-AWEZNQCLSA-N 0 0 300.402 3.459 10 30 DGEERN CC(C)NC(=O)CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328625596 434292188 /nfs/dbraw/zinc/29/21/88/434292188.db2.gz DHSRNDZCKBAOLW-OAHLLOKOSA-N 0 0 304.438 3.180 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000437571819 434292928 /nfs/dbraw/zinc/29/29/28/434292928.db2.gz UPBXCCMRKYMVSV-SFHVURJKSA-N 0 0 318.417 3.448 10 30 DGEERN C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)C1CCC1 ZINC000328626335 434293373 /nfs/dbraw/zinc/29/33/73/434293373.db2.gz LOUQXCJFGFBNKJ-IAOVAPTHSA-N 0 0 302.418 3.456 10 30 DGEERN C=C(C)CN(C)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000365454258 434299087 /nfs/dbraw/zinc/29/90/87/434299087.db2.gz BKQYJGNHLLISMI-UHFFFAOYSA-N 0 0 302.353 3.266 10 30 DGEERN C=CCC1(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)CCCC1 ZINC000450630115 434306530 /nfs/dbraw/zinc/30/65/30/434306530.db2.gz SSRHOFVZACAILZ-UHFFFAOYSA-N 0 0 324.428 3.267 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)CCC[C@H]1C)CCC2 ZINC000328728243 434306457 /nfs/dbraw/zinc/30/64/57/434306457.db2.gz VLUYLRJSAGFWKT-BMFZPTHFSA-N 0 0 318.465 3.493 10 30 DGEERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000328812162 434315016 /nfs/dbraw/zinc/31/50/16/434315016.db2.gz FMFPSYSBBOINQF-COLVAYQJSA-N 0 0 308.809 3.472 10 30 DGEERN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328882809 434321451 /nfs/dbraw/zinc/32/14/51/434321451.db2.gz LZYNUVNIPZZLQA-IXDOHACOSA-N 0 0 300.402 3.209 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1 ZINC000287283947 434325513 /nfs/dbraw/zinc/32/55/13/434325513.db2.gz KWPUNPVNHQYMNU-GOSISDBHSA-N 0 0 307.393 3.076 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000437740925 434328048 /nfs/dbraw/zinc/32/80/48/434328048.db2.gz AYEKEURSNXRWEL-NXOAAHMSSA-N 0 0 308.466 3.483 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000364642028 434276889 /nfs/dbraw/zinc/27/68/89/434276889.db2.gz ZBXFELFHJSDFOW-RBUKOAKNSA-N 0 0 301.430 3.405 10 30 DGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)CC(F)(F)F ZINC000457818310 434362925 /nfs/dbraw/zinc/36/29/25/434362925.db2.gz YERYJEFTYSKQAR-NSHDSACASA-N 0 0 319.323 3.265 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(C)ccc1C ZINC000437934602 434368951 /nfs/dbraw/zinc/36/89/51/434368951.db2.gz PWMRZCPKDSNKLD-WMZOPIPTSA-N 0 0 316.445 3.426 10 30 DGEERN CO[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3ccccc3C2=O)C1 ZINC000328986160 434338607 /nfs/dbraw/zinc/33/86/07/434338607.db2.gz GYIADWPYCOYHBV-LZWOXQAQSA-N 0 0 301.386 3.346 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1cccc(C(C)C)c1 ZINC000457800664 434351754 /nfs/dbraw/zinc/35/17/54/434351754.db2.gz XLZSNZRLIWHVNC-HKUYNNGSSA-N 0 0 301.430 3.450 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000295930581 434442638 /nfs/dbraw/zinc/44/26/38/434442638.db2.gz HDXKOZHYYRPFBP-MRVPVSSYSA-N 0 0 308.592 3.314 10 30 DGEERN C[C@@H]1CC[C@]2(CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342596 434392564 /nfs/dbraw/zinc/39/25/64/434392564.db2.gz OOLWVZVKEYFOPM-BPAFIMBUSA-N 0 0 321.424 3.279 10 30 DGEERN C=C(C)Cn1c(N2C[C@H](C)[C@H](C)[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000417501679 434412104 /nfs/dbraw/zinc/41/21/04/434412104.db2.gz JWXBIPALWGPDIK-YRBFXIGRSA-N 0 0 318.465 3.361 10 30 DGEERN C=CC[C@H](CC)N1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O ZINC000359184783 434415719 /nfs/dbraw/zinc/41/57/19/434415719.db2.gz VRCJQFOTFNZMLO-KBPBESRZSA-N 0 0 306.793 3.158 10 30 DGEERN C=CCOc1ccc(CNc2nnc(Cc3ccccc3)o2)cc1 ZINC000359285794 434415948 /nfs/dbraw/zinc/41/59/48/434415948.db2.gz WHMICYHVYFUEPN-UHFFFAOYSA-N 0 0 321.380 3.837 10 30 DGEERN C=CCNc1nnc(Sc2ncnc3c(C)csc32)s1 ZINC000359438684 434418251 /nfs/dbraw/zinc/41/82/51/434418251.db2.gz MYPUQXAEUGMKRZ-UHFFFAOYSA-N 0 0 321.456 3.600 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438144728 434423022 /nfs/dbraw/zinc/42/30/22/434423022.db2.gz MRWVGSIRBJORGK-ZOMKSWQUSA-N 0 0 303.402 3.037 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329606958 434439565 /nfs/dbraw/zinc/43/95/65/434439565.db2.gz CFMCGQXCESNAPS-MEDUHNTESA-N 0 0 317.433 3.401 10 30 DGEERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329604477 434441971 /nfs/dbraw/zinc/44/19/71/434441971.db2.gz GUNVOJBPTLISBU-KYOSRNDESA-N 0 0 302.422 3.496 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000417622180 434473008 /nfs/dbraw/zinc/47/30/08/434473008.db2.gz GTQRKHCLJZNYNH-NSHDSACASA-N 0 0 305.271 3.354 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1csc(Br)c1 ZINC000417626983 434476776 /nfs/dbraw/zinc/47/67/76/434476776.db2.gz OVEKKTARYKUMEB-VIFPVBQESA-N 0 0 304.209 3.020 10 30 DGEERN Cc1nnc([C@@H]2CCCCN2c2nc(C)c(C#N)cc2Cl)[nH]1 ZINC000360066411 434503978 /nfs/dbraw/zinc/50/39/78/434503978.db2.gz PHMVYCXOFZTYAG-ZDUSSCGKSA-N 0 0 316.796 3.073 10 30 DGEERN CC[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000329663745 434451678 /nfs/dbraw/zinc/45/16/78/434451678.db2.gz JNJJLHIHRXHMSE-ULQDDVLXSA-N 0 0 324.465 3.139 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458041117 434453329 /nfs/dbraw/zinc/45/33/29/434453329.db2.gz HLQOUTAEJJLTNI-SCDSUCTJSA-N 0 0 309.431 3.040 10 30 DGEERN COc1cc(C)c(S(=O)(=O)N(C)[C@H](C)CC#N)cc1C(C)C ZINC000193860343 294952879 /nfs/dbraw/zinc/95/28/79/294952879.db2.gz FQHAOSIQVJGAQK-CYBMUJFWSA-N 0 0 324.446 3.050 10 30 DGEERN C=CCCCN(C)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000366964036 434533248 /nfs/dbraw/zinc/53/32/48/434533248.db2.gz WXLKEAFIBDEBEB-MRXNPFEDSA-N 0 0 315.417 3.092 10 30 DGEERN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(C#N)n3C)cc2O1 ZINC000451027957 434538680 /nfs/dbraw/zinc/53/86/80/434538680.db2.gz XZOVJKCQLKDDIE-KRWDZBQOSA-N 0 0 311.341 3.046 10 30 DGEERN C=CC[C@@H]1N(C(=O)C[C@H]2CCOC[C@H]2OC)CCCC1(C)C ZINC000451218508 434561302 /nfs/dbraw/zinc/56/13/02/434561302.db2.gz RRUNZXMKKDJKJT-OAGGEKHMSA-N 0 0 309.450 3.021 10 30 DGEERN C=CCC(CC=C)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367324205 434544932 /nfs/dbraw/zinc/54/49/32/434544932.db2.gz JSQJXKMLQIFFQQ-FQEVSTJZSA-N 0 0 313.441 3.308 10 30 DGEERN CC1(C)CN(C(=O)c2cc(C#N)ccn2)CC[C@@H]1C(F)(F)F ZINC000408161619 434547975 /nfs/dbraw/zinc/54/79/75/434547975.db2.gz ODCIDCGGQCCFAJ-LBPRGKRZSA-N 0 0 311.307 3.004 10 30 DGEERN Cc1c(C(=O)N[C@@H]2CCC[C@H]2C#N)cnn1C1CCCCC1 ZINC000408168232 434548087 /nfs/dbraw/zinc/54/80/87/434548087.db2.gz HZBKSIMQBXTKCH-XJKSGUPXSA-N 0 0 300.406 3.119 10 30 DGEERN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408203277 434552658 /nfs/dbraw/zinc/55/26/58/434552658.db2.gz CFKMTLZQLREMKU-HOCLYGCPSA-N 0 0 315.417 3.128 10 30 DGEERN COc1ccccc1C1(CNc2nc(C)cc(C#N)n2)CCCC1 ZINC000439107433 434566130 /nfs/dbraw/zinc/56/61/30/434566130.db2.gz LXADTKRFASDLLB-UHFFFAOYSA-N 0 0 322.412 3.589 10 30 DGEERN C=CCOCCCC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368239631 434569780 /nfs/dbraw/zinc/56/97/80/434569780.db2.gz AIOIOZYYCFBVPV-SJORKVTESA-N 0 0 303.402 3.006 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368252255 434569939 /nfs/dbraw/zinc/56/99/39/434569939.db2.gz LDEVQOROCIFGAA-UAGQMJEPSA-N 0 0 303.402 3.004 10 30 DGEERN COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC2(C1)CCCOC2 ZINC000329485069 295108215 /nfs/dbraw/zinc/10/82/15/295108215.db2.gz SNSHEIOLDGFVCN-CQSZACIVSA-N 0 0 318.417 3.091 10 30 DGEERN Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1C#N ZINC000408436445 434573343 /nfs/dbraw/zinc/57/33/43/434573343.db2.gz CRUGIVXTRZEYPK-CXAGYDPISA-N 0 0 318.442 3.068 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000408421961 434573547 /nfs/dbraw/zinc/57/35/47/434573547.db2.gz DFHUBTIJGQNGHP-WXRRBKDZSA-N 0 0 317.355 3.300 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](O)[C@H](C)C3)c2c1 ZINC000408456104 434578065 /nfs/dbraw/zinc/57/80/65/434578065.db2.gz ZTIKTIBKLZDLOK-FZKQIMNGSA-N 0 0 309.413 3.437 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000369106564 434587277 /nfs/dbraw/zinc/58/72/77/434587277.db2.gz JQZHPMXTZARQRQ-SFHVURJKSA-N 0 0 302.393 3.379 10 30 DGEERN N#C[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C1CC1 ZINC000369231633 434590676 /nfs/dbraw/zinc/59/06/76/434590676.db2.gz MOUOSIMEXMHBCC-MRXNPFEDSA-N 0 0 320.396 3.044 10 30 DGEERN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000330257536 295385833 /nfs/dbraw/zinc/38/58/33/295385833.db2.gz LPRCWYKKVPTKLI-GDBMZVCRSA-N 0 0 315.417 3.028 10 30 DGEERN C=CCC1(C(=O)NCc2noc(-c3cccc(F)c3)n2)CCC1 ZINC000370601488 434616151 /nfs/dbraw/zinc/61/61/51/434616151.db2.gz JMRIJAIQQHWULJ-UHFFFAOYSA-N 0 0 315.348 3.238 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)CCCSC ZINC000424118341 434628097 /nfs/dbraw/zinc/62/80/97/434628097.db2.gz CIQKGZUSLCEKEE-GFCCVEGCSA-N 0 0 312.508 3.222 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000439463675 434607139 /nfs/dbraw/zinc/60/71/39/434607139.db2.gz SNUKHFIWGZPWEC-ZDUSSCGKSA-N 0 0 306.410 3.019 10 30 DGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(C)(C)C1CC1 ZINC000360781020 434691206 /nfs/dbraw/zinc/69/12/06/434691206.db2.gz NGWRCBVGXOBEKA-SFHVURJKSA-N 0 0 322.449 3.191 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1Cc2ccc(Cl)cc2C1 ZINC000459754861 434698602 /nfs/dbraw/zinc/69/86/02/434698602.db2.gz FFAQWLQIXDCGDR-CYBMUJFWSA-N 0 0 304.821 3.245 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCSC[C@H]1C ZINC000424230495 434663077 /nfs/dbraw/zinc/66/30/77/434663077.db2.gz ACNSEAUPARCKPV-OLZOCXBDSA-N 0 0 324.519 3.364 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)C[C@@H]1CCCO1 ZINC000424232378 434663142 /nfs/dbraw/zinc/66/31/42/434663142.db2.gz BYZSBGVQWILLHG-UONOGXRCSA-N 0 0 322.478 3.038 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000424235785 434663207 /nfs/dbraw/zinc/66/32/07/434663207.db2.gz FDGNCDSYNUPQOL-MJBXVCDLSA-N 0 0 322.478 3.036 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000424249489 434666691 /nfs/dbraw/zinc/66/66/91/434666691.db2.gz OYLVZLOLQSQVKC-RWMBFGLXSA-N 0 0 322.503 3.116 10 30 DGEERN C=CC[C@H](CC)NC(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000459721370 434677369 /nfs/dbraw/zinc/67/73/69/434677369.db2.gz YBJVRFGQTHANTR-AWEZNQCLSA-N 0 0 321.396 3.139 10 30 DGEERN CCn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)CC1CC1 ZINC000460269396 434750855 /nfs/dbraw/zinc/75/08/55/434750855.db2.gz ZXPFFSQSGYQNPO-UHFFFAOYSA-N 0 0 321.428 3.463 10 30 DGEERN C=CCOc1ccccc1C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000452892337 434751389 /nfs/dbraw/zinc/75/13/89/434751389.db2.gz OVLKJNZNGVGKNW-QAPCUYQASA-N 0 0 317.429 3.432 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC000424596651 434753964 /nfs/dbraw/zinc/75/39/64/434753964.db2.gz PDBJSSGUPGOWQR-KGLIPLIRSA-N 0 0 304.365 3.069 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411048117 434705063 /nfs/dbraw/zinc/70/50/63/434705063.db2.gz NOQFLFGWYBKGHP-YPMHNXCESA-N 0 0 324.764 3.020 10 30 DGEERN C=C(C)CN(C)c1nnc([C@H]2CCCS2)n1C[C@H]1CCCO1 ZINC000424361273 434711189 /nfs/dbraw/zinc/71/11/89/434711189.db2.gz XDTBHVDJBFAXBV-ZIAGYGMSSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCC1(c2nc(-c3cn(C)nc3C(C)C)no2)CCOCC1 ZINC000424357043 434711545 /nfs/dbraw/zinc/71/15/45/434711545.db2.gz DBLQEFQPTMWEHI-UHFFFAOYSA-N 0 0 316.405 3.218 10 30 DGEERN C=CCOc1ccc(C(=O)N2CC3CC2(C(F)(F)F)C3)cc1 ZINC000411122296 434726680 /nfs/dbraw/zinc/72/66/80/434726680.db2.gz OBGOXDQOYBENAI-UHFFFAOYSA-N 0 0 311.303 3.418 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2ccccc2OC)CCOCC1 ZINC000424537109 434735611 /nfs/dbraw/zinc/73/56/11/434735611.db2.gz FESKFYOFVFFIDQ-CQSZACIVSA-N 0 0 303.402 3.245 10 30 DGEERN C=CCC1(C(=O)NCc2nc3ccccc3s2)CCOCC1 ZINC000424558537 434740207 /nfs/dbraw/zinc/74/02/07/434740207.db2.gz JMWNCTICWXVGRA-UHFFFAOYSA-N 0 0 316.426 3.285 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)CCCCO1 ZINC000460061672 434741421 /nfs/dbraw/zinc/74/14/21/434741421.db2.gz LRTZKMQOZSIYEF-QGZVFWFLSA-N 0 0 318.373 3.069 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000452922838 434758197 /nfs/dbraw/zinc/75/81/97/434758197.db2.gz KWWPMJGOMSDTBS-IKGGRYGDSA-N 0 0 317.429 3.427 10 30 DGEERN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000424637837 434765326 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10 30 DGEERN N#Cc1ccccc1CSCCNC(=O)N1CCC12CCC2 ZINC000530725541 435048479 /nfs/dbraw/zinc/04/84/79/435048479.db2.gz UOUZSUVCHMLTCH-UHFFFAOYSA-N 0 0 315.442 3.129 10 30 DGEERN COc1cc(SC)c(I)cc1CC#N ZINC000575708880 435049453 /nfs/dbraw/zinc/04/94/53/435049453.db2.gz OPPPCPVOPAIKJM-UHFFFAOYSA-N 0 0 319.167 3.088 10 30 DGEERN Cn1ncc(NC(=O)Cc2cccc(C#N)c2)c1-c1ccccc1 ZINC000557442573 435052188 /nfs/dbraw/zinc/05/21/88/435052188.db2.gz QGIHETMBCXTEFV-UHFFFAOYSA-N 0 0 316.364 3.140 10 30 DGEERN C=CCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000466782254 435093047 /nfs/dbraw/zinc/09/30/47/435093047.db2.gz JGKSDYHHUVZFMF-JKSUJKDBSA-N 0 0 321.852 3.303 10 30 DGEERN C=CCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000466782252 435093508 /nfs/dbraw/zinc/09/35/08/435093508.db2.gz JGKSDYHHUVZFMF-HOTGVXAUSA-N 0 0 321.852 3.303 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CSC1(C)C ZINC000558992266 435117825 /nfs/dbraw/zinc/11/78/25/435117825.db2.gz UUTSRDBUVAQOLD-CQSZACIVSA-N 0 0 308.422 3.417 10 30 DGEERN C=CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1 ZINC000467372958 435118779 /nfs/dbraw/zinc/11/87/79/435118779.db2.gz HSVCTODTFPXBIN-SZMVWBNQSA-N 0 0 315.413 3.025 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000467634699 435125528 /nfs/dbraw/zinc/12/55/28/435125528.db2.gz BFKOKBLUPIBADV-SNVBAGLBSA-N 0 0 305.328 3.896 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000469532693 435131294 /nfs/dbraw/zinc/13/12/94/435131294.db2.gz GZYINJBLRLMTPT-AAVRWANBSA-N 0 0 319.367 3.453 10 30 DGEERN CCO[C@H]1C[C@@H](N(C)c2nc(C)cc(C#N)n2)C1(CC)CC ZINC000561223624 435206741 /nfs/dbraw/zinc/20/67/41/435206741.db2.gz CIWIRFXEABMCBB-CABCVRRESA-N 0 0 302.422 3.077 10 30 DGEERN CC1(c2cc(NC(=O)N(CCC#N)CC3CC3)no2)CCCC1 ZINC000581719443 435238377 /nfs/dbraw/zinc/23/83/77/435238377.db2.gz LPDJQYCSHJRFED-UHFFFAOYSA-N 0 0 316.405 3.664 10 30 DGEERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000448940476 298259950 /nfs/dbraw/zinc/25/99/50/298259950.db2.gz GZWOLVSNJAFBGK-CQSZACIVSA-N 0 0 307.397 3.338 10 30 DGEERN C=CCCCCCNS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000583945171 435259149 /nfs/dbraw/zinc/25/91/49/435259149.db2.gz KHKRIUAPZOOHDW-UHFFFAOYSA-N 0 0 314.451 3.138 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000565876090 435282522 /nfs/dbraw/zinc/28/25/22/435282522.db2.gz NYIHGSPKZSGCKB-AHCXZYCDSA-N 0 0 314.429 3.274 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1SC ZINC000567162076 435291086 /nfs/dbraw/zinc/29/10/86/435291086.db2.gz IKLFNZLTCVTNLQ-YDHLFZDLSA-N 0 0 320.458 3.360 10 30 DGEERN C=CCN(CCOC)C(=O)NCc1ccc(Cl)cc1Cl ZINC000478427388 435299342 /nfs/dbraw/zinc/29/93/42/435299342.db2.gz LZABAHMHAGBJBS-UHFFFAOYSA-N 0 0 317.216 3.337 10 30 DGEERN C=C(C)CN(C)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000479287210 435325437 /nfs/dbraw/zinc/32/54/37/435325437.db2.gz WFSNHTIXRVUQBJ-UHFFFAOYSA-N 0 0 303.402 3.030 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000567725402 435346472 /nfs/dbraw/zinc/34/64/72/435346472.db2.gz GNPPZRGWPNDDIP-UVBJJODRSA-N 0 0 320.820 3.218 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000479761865 435352582 /nfs/dbraw/zinc/35/25/82/435352582.db2.gz DEKJKSHDLXAQPC-GFCCVEGCSA-N 0 0 319.430 3.201 10 30 DGEERN C=CCOCCCC(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000567387378 435313554 /nfs/dbraw/zinc/31/35/54/435313554.db2.gz OEABRWOGEOCBSZ-DLBZAZTESA-N 0 0 317.429 3.332 10 30 DGEERN C=CCCCCCNC(=O)c1c(C)nn2c1nc(C)cc2C ZINC000568527394 435444783 /nfs/dbraw/zinc/44/47/83/435444783.db2.gz VMHPSBJBVDSIAQ-UHFFFAOYSA-N 0 0 300.406 3.131 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC000514950813 435450512 /nfs/dbraw/zinc/45/05/12/435450512.db2.gz QGYVXARDBVJHPW-VQIMIIECSA-N 0 0 316.420 3.146 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1COc2ccc(OC)cc2C1 ZINC000568881954 435479482 /nfs/dbraw/zinc/47/94/82/435479482.db2.gz ZPHKVQXYPKADEC-OAHLLOKOSA-N 0 0 303.402 3.109 10 30 DGEERN C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC000568487547 435440925 /nfs/dbraw/zinc/44/09/25/435440925.db2.gz PLMZUEICJUOCBF-OAHLLOKOSA-N 0 0 320.481 3.447 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000541794995 435645590 /nfs/dbraw/zinc/64/55/90/435645590.db2.gz ZDLKPXZWTJBHTD-MPGHIAIKSA-N 0 0 316.445 3.150 10 30 DGEERN C=CCN(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000491002577 435696678 /nfs/dbraw/zinc/69/66/78/435696678.db2.gz KQTJRBOPGAPOBZ-UHFFFAOYSA-N 0 0 324.302 3.434 10 30 DGEERN N#Cc1cnccc1NCc1cccnc1Oc1cccc(F)c1 ZINC000548481681 435696609 /nfs/dbraw/zinc/69/66/09/435696609.db2.gz PKPLQCIIRWBTGP-UHFFFAOYSA-N 0 0 320.327 3.314 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000519653800 435697464 /nfs/dbraw/zinc/69/74/64/435697464.db2.gz OOMJATMJTHQTPI-WFASDCNBSA-N 0 0 308.397 3.149 10 30 DGEERN COc1ccc2c(c1)N(C(=O)Cc1cccc(C#N)c1)CCCC2 ZINC000571703177 435728319 /nfs/dbraw/zinc/72/83/19/435728319.db2.gz QZRZXEPGUUPKKN-UHFFFAOYSA-N 0 0 320.392 3.479 10 30 DGEERN C=CCN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000491107065 435705619 /nfs/dbraw/zinc/70/56/19/435705619.db2.gz MLQRJCWVKZGSKG-ZDUSSCGKSA-N 0 0 317.389 3.089 10 30 DGEERN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(C#N)ccn1 ZINC000282880731 302966566 /nfs/dbraw/zinc/96/65/66/302966566.db2.gz FHPRYYWBPCLHPX-KRWDZBQOSA-N 0 0 308.385 3.049 10 30 DGEERN Cc1c(Cl)cnc(N2CCN(c3ccccc3)CC2)c1C#N ZINC000543135139 314116211 /nfs/dbraw/zinc/11/62/11/314116211.db2.gz CITSVOKMRCYSCL-UHFFFAOYSA-N 0 0 312.804 3.242 10 30 DGEERN COc1ccccc1Cc1noc(Cc2cccc(C#N)c2)n1 ZINC000545549015 314257068 /nfs/dbraw/zinc/25/70/68/314257068.db2.gz AZZRHSRZJJEMOJ-UHFFFAOYSA-N 0 0 305.337 3.131 10 30 DGEERN N#Cc1cnccc1NCc1ccc(OC2CCCCC2)nc1 ZINC000547824624 314399337 /nfs/dbraw/zinc/39/93/37/314399337.db2.gz NDMTUROTCAQTAK-UHFFFAOYSA-N 0 0 308.385 3.094 10 30 DGEERN N#Cc1cnccc1NCCCCOc1ccc(Cl)cc1 ZINC000547824841 314399427 /nfs/dbraw/zinc/39/94/27/314399427.db2.gz QSYSJAGRRAHITB-UHFFFAOYSA-N 0 0 301.777 3.300 10 30 DGEERN COc1ccc(Nc2ccncc2C#N)cc1OCC(F)(F)F ZINC000547825774 314399740 /nfs/dbraw/zinc/39/97/40/314399740.db2.gz LHFUYHVWNJPDHZ-UHFFFAOYSA-N 0 0 323.274 3.068 10 30 DGEERN N#Cc1cc2c(nc1NC(=O)c1cnc(C3CC3)s1)CCCC2 ZINC000548520458 314456434 /nfs/dbraw/zinc/45/64/34/314456434.db2.gz FGSOIFHNMCTOPT-UHFFFAOYSA-N 0 0 324.409 3.418 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2csc(-c3ccncc3)n2)c1 ZINC000549321660 314503662 /nfs/dbraw/zinc/50/36/62/314503662.db2.gz JABIZXOWECMBAX-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN C[C@](O)(CNC(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC000564021598 315153121 /nfs/dbraw/zinc/15/31/21/315153121.db2.gz JYSXJNHDCYGIGU-KRWDZBQOSA-N 0 0 320.820 3.273 10 30 DGEERN CC1(C)c2ccccc2CCN1C(=O)Cc1cccc(C#N)c1 ZINC000564719942 315194388 /nfs/dbraw/zinc/19/43/88/315194388.db2.gz UJPJNKVUDDWCJT-UHFFFAOYSA-N 0 0 304.393 3.421 10 30 DGEERN N#Cc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)ncn1 ZINC000569419639 315579156 /nfs/dbraw/zinc/57/91/56/315579156.db2.gz HEIMKMBVZCBZRX-UHFFFAOYSA-N 0 0 313.320 3.479 10 30 DGEERN N#Cc1cccc(Cc2nc(-c3ccc4cc[nH]c4n3)no2)c1 ZINC000570909242 315683721 /nfs/dbraw/zinc/68/37/21/315683721.db2.gz HMWCQHIWEYOFBP-UHFFFAOYSA-N 0 0 301.309 3.075 10 30 DGEERN Cc1cc(F)cc2c1ncc(C#N)c2NCCOCC1CCC1 ZINC000574854849 316007775 /nfs/dbraw/zinc/00/77/75/316007775.db2.gz NOZMQPUNMCNDID-UHFFFAOYSA-N 0 0 313.376 3.205 10 30 DGEERN Cc1ccc(C[C@@H]2CCCN(c3nc(C)cc(C#N)n3)C2)cc1 ZINC000577640400 316256380 /nfs/dbraw/zinc/25/63/80/316256380.db2.gz DEUFWBDWZSXGRP-KRWDZBQOSA-N 0 0 306.413 3.424 10 30 DGEERN CC[C@@H](C)Oc1cc(CNC(=O)c2ccc(C#N)cc2C)ccn1 ZINC000180827655 323239432 /nfs/dbraw/zinc/23/94/32/323239432.db2.gz VQMRXWZWWKACKK-CQSZACIVSA-N 0 0 323.396 3.369 10 30 DGEERN CCNc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cn1 ZINC000183156543 323327711 /nfs/dbraw/zinc/32/77/11/323327711.db2.gz MNGMRFALYVWGPO-UHFFFAOYSA-N 0 0 300.749 3.291 10 30 DGEERN N#Cc1cc(-c2nc(-c3ccc(Br)o3)no2)ccn1 ZINC000193213263 323462295 /nfs/dbraw/zinc/46/22/95/323462295.db2.gz FPRZIOHYDTYMLT-UHFFFAOYSA-N 0 0 317.102 3.026 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000186399690 332924755 /nfs/dbraw/zinc/92/47/55/332924755.db2.gz BCYALXUEXMFZSS-CVEARBPZSA-N 0 0 304.434 3.318 10 30 DGEERN C=CCC1(C(=O)Nc2cc3c(cn2)CCCC3)CCOCC1 ZINC000584108628 331743324 /nfs/dbraw/zinc/74/33/24/331743324.db2.gz MKOLUCPVPIUPPF-UHFFFAOYSA-N 0 0 300.402 3.272 10 30 DGEERN C=CCC[C@H](Nc1cccc(C(=O)NCCOC)c1)C1CC1 ZINC000556913254 331752972 /nfs/dbraw/zinc/75/29/72/331752972.db2.gz XWDGFVRKHDIVGO-KRWDZBQOSA-N 0 0 302.418 3.220 10 30 DGEERN N#CC1CCC(CNC(=O)Nc2nccn2-c2ccccc2)CC1 ZINC000517894559 331976764 /nfs/dbraw/zinc/97/67/64/331976764.db2.gz WUBXLBGBNIXPJA-UHFFFAOYSA-N 0 0 323.400 3.324 10 30 DGEERN N#CC1(CNC(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000559343776 332032286 /nfs/dbraw/zinc/03/22/86/332032286.db2.gz PQTONRCEYFCNEZ-UHFFFAOYSA-N 0 0 313.279 3.053 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1sc(C2CCCCC2)nc1C ZINC000518475099 332061529 /nfs/dbraw/zinc/06/15/29/332061529.db2.gz ZIUWWCFLYHDZSR-ZDUSSCGKSA-N 0 0 308.447 3.166 10 30 DGEERN C=C(C)COCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181458379 332195325 /nfs/dbraw/zinc/19/53/25/332195325.db2.gz IHJCRCXWEDDSAP-WMLDXEAASA-N 0 0 302.418 3.120 10 30 DGEERN CC[C@H](Oc1ccccc1F)C(=O)N[C@@](C)(C#N)CC(C)C ZINC000533877621 332229991 /nfs/dbraw/zinc/22/99/91/332229991.db2.gz ANFAQKQVHFPYSP-WMLDXEAASA-N 0 0 306.381 3.428 10 30 DGEERN C=CCN(CCc1ccco1)Cc1nc(C(=O)OCC)cs1 ZINC000292882776 335096952 /nfs/dbraw/zinc/09/69/52/335096952.db2.gz IOXAQVSKGOMWGF-UHFFFAOYSA-N 0 0 320.414 3.144 10 30 DGEERN C=C(C)COc1cccc(NC(=O)NCC2=CCOCC2)c1 ZINC000560403305 332336891 /nfs/dbraw/zinc/33/68/91/332336891.db2.gz BIXSQOXPIUYPKB-UHFFFAOYSA-N 0 0 302.374 3.110 10 30 DGEERN C=CCC1(CNC(=O)Cn2cnc3c2CCCC3)CCCC1 ZINC000560466902 332342447 /nfs/dbraw/zinc/34/24/47/332342447.db2.gz BWMPJNYSHZCCLZ-UHFFFAOYSA-N 0 0 301.434 3.015 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000185016390 335103681 /nfs/dbraw/zinc/10/36/81/335103681.db2.gz NJVNYHGYSULRCZ-LSDHHAIUSA-N 0 0 312.417 3.389 10 30 DGEERN C=CCSCCNC(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000561487425 332455997 /nfs/dbraw/zinc/45/59/97/332455997.db2.gz ZYBOMDWBXTYIBL-MRXNPFEDSA-N 0 0 308.422 3.186 10 30 DGEERN C=CCCCNC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000561777028 332495615 /nfs/dbraw/zinc/49/56/15/332495615.db2.gz DNHMDSPERHOHFO-UHFFFAOYSA-N 0 0 312.360 3.388 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000248603764 332614256 /nfs/dbraw/zinc/61/42/56/332614256.db2.gz VSRIYQRIEAZBCJ-KSZLIROESA-N 0 0 316.445 3.024 10 30 DGEERN C=CCCCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569865447 332686808 /nfs/dbraw/zinc/68/68/08/332686808.db2.gz XNULAMVHCBOEDX-UHFFFAOYSA-N 0 0 317.389 3.409 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000570141960 332716649 /nfs/dbraw/zinc/71/66/49/332716649.db2.gz ADQNVDKKKWGQHH-IUODEOHRSA-N 0 0 322.792 3.218 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000185191663 335118285 /nfs/dbraw/zinc/11/82/85/335118285.db2.gz OWGZTPYJYBXPNP-KBPBESRZSA-N 0 0 323.458 3.212 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)c(C)cc1C ZINC000563030606 333085032 /nfs/dbraw/zinc/08/50/32/333085032.db2.gz WMUWKKNHMYMTJM-ZFWWWQNUSA-N 0 0 304.390 3.025 10 30 DGEERN CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000185703461 333212481 /nfs/dbraw/zinc/21/24/81/333212481.db2.gz AHCSXHJITUWPDB-SJORKVTESA-N 0 0 317.433 3.080 10 30 DGEERN C=CCC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000295195615 335130622 /nfs/dbraw/zinc/13/06/22/335130622.db2.gz RQSGASSUCLBWEU-XIRDDKMYSA-N 0 0 323.458 3.181 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000497937282 333311943 /nfs/dbraw/zinc/31/19/43/333311943.db2.gz LERGDXNFSMSONB-GFCCVEGCSA-N 0 0 300.402 3.391 10 30 DGEERN C=CCOc1ccc(CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000295254716 335134238 /nfs/dbraw/zinc/13/42/38/335134238.db2.gz GFFJLDLLENUZLV-WBVHZDCISA-N 0 0 321.367 3.298 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N(C)C2CCOCC2)c1 ZINC000531314188 333343552 /nfs/dbraw/zinc/34/35/52/333343552.db2.gz XHMDEHPJAJIJIO-UHFFFAOYSA-N 0 0 304.390 3.284 10 30 DGEERN COc1ccc(C(=O)NC2(C#N)CCCC2)c(OCC(C)C)c1 ZINC000188364807 333364430 /nfs/dbraw/zinc/36/44/30/333364430.db2.gz YNIMIRPTYXARGH-UHFFFAOYSA-N 0 0 316.401 3.296 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cnc(-c2cccnc2)s1 ZINC000534156201 333564051 /nfs/dbraw/zinc/56/40/51/333564051.db2.gz PBMXITWVSSZCPX-MRXNPFEDSA-N 0 0 314.414 3.263 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C)OCC ZINC000534408833 333585041 /nfs/dbraw/zinc/58/50/41/333585041.db2.gz BEMWVTVAPCPAOG-XNWVLMOPSA-N 0 0 317.429 3.427 10 30 DGEERN Cc1c(Cl)cccc1OCC(=O)N[C@@](C)(C#N)CC(C)C ZINC000534597764 334290695 /nfs/dbraw/zinc/29/06/95/334290695.db2.gz QFMVMPJWJVFGGH-MRXNPFEDSA-N 0 0 308.809 3.472 10 30 DGEERN C=CC1CCN(C(=O)N[C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000111466232 334327970 /nfs/dbraw/zinc/32/79/70/334327970.db2.gz LISFPVIOPIHURN-ZDUSSCGKSA-N 0 0 318.417 3.372 10 30 DGEERN N#CCc1ccnc(NC(=O)c2cc(C3CCCCC3)[nH]n2)c1 ZINC000534711567 334331747 /nfs/dbraw/zinc/33/17/47/334331747.db2.gz RZKMZXPDINZHST-UHFFFAOYSA-N 0 0 309.373 3.171 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCC[C@H]1OC ZINC000583513154 335648280 /nfs/dbraw/zinc/64/82/80/335648280.db2.gz QSZILDBEYOHFAD-ZWKOTPCHSA-N 0 0 317.429 3.415 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000519825175 335898503 /nfs/dbraw/zinc/89/85/03/335898503.db2.gz KMTCKEMAFQOEOJ-OAHLLOKOSA-N 0 0 306.454 3.056 10 30 DGEERN C=CC[C@H](C)NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532371940 336243911 /nfs/dbraw/zinc/24/39/11/336243911.db2.gz UGYKRDKGMFNBCY-KBPBESRZSA-N 0 0 310.438 3.104 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000152449615 336385169 /nfs/dbraw/zinc/38/51/69/336385169.db2.gz JFXYUJVZXQUQGO-HNNXBMFYSA-N 0 0 319.424 3.402 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000514637594 336387105 /nfs/dbraw/zinc/38/71/05/336387105.db2.gz RWRPOIHBZVSHNU-MJGOQNOKSA-N 0 0 301.430 3.327 10 30 DGEERN C=CCSCCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000354791358 336482437 /nfs/dbraw/zinc/48/24/37/336482437.db2.gz MDAAJAYCONRESY-UHFFFAOYSA-N 0 0 304.390 3.265 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000358209586 336616968 /nfs/dbraw/zinc/61/69/68/336616968.db2.gz HZTQYAFXEORMBX-QGZVFWFLSA-N 0 0 323.364 3.088 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2cc(C)ccc2n1CC ZINC000584358494 337102183 /nfs/dbraw/zinc/10/21/83/337102183.db2.gz XIVJUALVVSWNGF-CZUORRHYSA-N 0 0 313.401 3.284 10 30 DGEERN C=CCCCNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000582526528 337104896 /nfs/dbraw/zinc/10/48/96/337104896.db2.gz NTMGKINNQYWUKU-AWEZNQCLSA-N 0 0 310.438 3.106 10 30 DGEERN CCCCCCCCCCCC(=O)NC[C@H](CO)OCC ZINC000584602247 337371042 /nfs/dbraw/zinc/37/10/42/337371042.db2.gz KPTIKIFJCSPNRM-MRXNPFEDSA-N 0 0 301.471 3.421 10 30 DGEERN Cc1c2cc(F)cc(-c3ccc(C#N)cc3)c2n(C)c1C(N)=O ZINC000584618828 337373274 /nfs/dbraw/zinc/37/32/74/337373274.db2.gz SDBMYGKXPRXNBF-UHFFFAOYSA-N 0 0 307.328 3.263 10 30 DGEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2cc(F)c(F)c(F)c2)c1 ZINC000584618727 337373327 /nfs/dbraw/zinc/37/33/27/337373327.db2.gz NIBMAJBVBJZBHA-UHFFFAOYSA-N 0 0 315.254 3.223 10 30 DGEERN CCCCCCCCCCCCS(=O)(=O)CC(=O)OC ZINC000584591280 337373376 /nfs/dbraw/zinc/37/33/76/337373376.db2.gz CSPWKWMBOLCFCQ-UHFFFAOYSA-N 0 0 306.468 3.495 10 30 DGEERN Ic1ccc(C#Cc2ccccn2)cc1 ZINC000584621883 337374960 /nfs/dbraw/zinc/37/49/60/337374960.db2.gz SYAIDAOXOYGVRU-UHFFFAOYSA-N 0 0 305.118 3.086 10 30 DGEERN N#C[C@@H]1CCCN(c2nc3ccnc(Br)c3s2)C1 ZINC000584631675 337377004 /nfs/dbraw/zinc/37/70/04/337377004.db2.gz KCZNXJFSZJDPOK-QMMMGPOBSA-N 0 0 323.219 3.194 10 30 DGEERN C#Cc1ccc2c(c1)[C@@H](Nc1ncc3c(n1)CCCC3=O)CC2 ZINC000584637332 337379338 /nfs/dbraw/zinc/37/93/38/337379338.db2.gz XZILKBOWRXWFQG-KRWDZBQOSA-N 0 0 303.365 3.076 10 30 DGEERN N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](C#N)C1CC1 ZINC000161892065 337599151 /nfs/dbraw/zinc/59/91/51/337599151.db2.gz KMYYGYXINLNIEC-GOSISDBHSA-N 0 0 301.349 3.257 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528279299 337799537 /nfs/dbraw/zinc/79/95/37/337799537.db2.gz JOGOWCLKFHHPPD-XFMPKHEZSA-N 0 0 308.447 3.258 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC000528300636 337801249 /nfs/dbraw/zinc/80/12/49/337801249.db2.gz RTPCWKHLAHDXSZ-NSHDSACASA-N 0 0 308.332 3.348 10 30 DGEERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000108839500 337842433 /nfs/dbraw/zinc/84/24/33/337842433.db2.gz FJMTZTGXYCEJJZ-CJNGLKHVSA-N 0 0 300.402 3.304 10 30 DGEERN C=CC[C@H](CO)CNC(=O)NCc1ccc(C(C)(C)CC)cc1 ZINC000537112162 337890835 /nfs/dbraw/zinc/89/08/35/337890835.db2.gz HIPZZRKJHNYWBB-INIZCTEOSA-N 0 0 318.461 3.358 10 30 DGEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1cccc2ccccc21 ZINC000083981940 337999504 /nfs/dbraw/zinc/99/95/04/337999504.db2.gz RMHZDHJESXZGRP-CYBMUJFWSA-N 0 0 302.399 3.010 10 30 DGEERN C=CCCCN(C)c1nnc(CCC(C)C)n1C[C@@H]1CCOC1 ZINC000516495010 338013772 /nfs/dbraw/zinc/01/37/72/338013772.db2.gz WMJXYBMNTHYWDC-INIZCTEOSA-N 0 0 320.481 3.306 10 30 DGEERN Cc1ccc(C)c([C@H]2CN(C(=O)C(C)(C)C#N)[C@@H](C)CO2)c1 ZINC000174706965 533717110 /nfs/dbraw/zinc/71/71/10/533717110.db2.gz CXPUNQUQVNOZNN-GOEBONIOSA-N 0 0 300.402 3.142 10 30 DGEERN CC#CCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000499031228 340028011 /nfs/dbraw/zinc/02/80/11/340028011.db2.gz PYFFBCAJLGMJKQ-UHFFFAOYSA-N 0 0 308.219 3.256 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000502513635 340106622 /nfs/dbraw/zinc/10/66/22/340106622.db2.gz CVBLLLBYOVACQR-MRVWCRGKSA-N 0 0 311.834 3.341 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000503250521 340123964 /nfs/dbraw/zinc/12/39/64/340123964.db2.gz IHOWVOQHBXQSEV-CJNGLKHVSA-N 0 0 304.459 3.447 10 30 DGEERN C=CC[C@@H](CO)NC(=O)NCC1(c2cccc(C)c2)CCCC1 ZINC000503892882 340135880 /nfs/dbraw/zinc/13/58/80/340135880.db2.gz MJCLJUJLDIZYSP-KRWDZBQOSA-N 0 0 316.445 3.043 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000505673003 340174902 /nfs/dbraw/zinc/17/49/02/340174902.db2.gz LLGRPTTZCONPFJ-GOEBONIOSA-N 0 0 314.429 3.439 10 30 DGEERN CC[C@](C)(C#N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000506534689 340196362 /nfs/dbraw/zinc/19/63/62/340196362.db2.gz YJZFXBDWRWPYRC-IAQYHMDHSA-N 0 0 323.234 3.436 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C)C1 ZINC000508488542 340244679 /nfs/dbraw/zinc/24/46/79/340244679.db2.gz KCLKHPRQRZJYER-AWEZNQCLSA-N 0 0 314.458 3.381 10 30 DGEERN C=CCn1c(CCCc2ccccc2)nnc1N(C)CC1CC1 ZINC000508504821 340245097 /nfs/dbraw/zinc/24/50/97/340245097.db2.gz APEYAMHUUHETLE-UHFFFAOYSA-N 0 0 310.445 3.486 10 30 DGEERN C=CCn1c(-c2ccccn2)nnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000508839649 340254115 /nfs/dbraw/zinc/25/41/15/340254115.db2.gz GUPCYLYGAVUIEW-HUUCEWRRSA-N 0 0 309.417 3.153 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCO[C@H](C2CCCCC2)C1 ZINC000508844931 340254274 /nfs/dbraw/zinc/25/42/74/340254274.db2.gz LRLDDUYVNMKUKK-INIZCTEOSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000508930717 340255946 /nfs/dbraw/zinc/25/59/46/340255946.db2.gz GCMIBQMGWCEATM-ZBFHGGJFSA-N 0 0 318.465 3.056 10 30 DGEERN C=C(C)CN(CC)C(=O)Cc1ccc(Br)s1 ZINC000510086775 340288197 /nfs/dbraw/zinc/28/81/97/340288197.db2.gz FFUGSVXZVDBVLW-UHFFFAOYSA-N 0 0 302.237 3.478 10 30 DGEERN COc1ccc2sc(C(=O)N[C@H](C#N)C3CC3)c(C)c2c1 ZINC000173629828 340369423 /nfs/dbraw/zinc/36/94/23/340369423.db2.gz KRFDATYHFCTYFF-CYBMUJFWSA-N 0 0 300.383 3.250 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000185164134 340498523 /nfs/dbraw/zinc/49/85/23/340498523.db2.gz BLBJZOLOCKQFIE-CVEARBPZSA-N 0 0 302.374 3.402 10 30 DGEERN CC#CCCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000185365278 340500375 /nfs/dbraw/zinc/50/03/75/340500375.db2.gz ZGSDHOHMTCRNFK-INIZCTEOSA-N 0 0 315.413 3.018 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000185639290 340503812 /nfs/dbraw/zinc/50/38/12/340503812.db2.gz NSQBMFGWVVYWIX-WFASDCNBSA-N 0 0 320.820 3.164 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000185639274 340503821 /nfs/dbraw/zinc/50/38/21/340503821.db2.gz NSQBMFGWVVYWIX-IUODEOHRSA-N 0 0 320.820 3.164 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000185753877 340504886 /nfs/dbraw/zinc/50/48/86/340504886.db2.gz XXDQPINEVBXFPL-DOTOQJQBSA-N 0 0 314.429 3.243 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000186296108 340510766 /nfs/dbraw/zinc/51/07/66/340510766.db2.gz AEWMZNJUCUSREB-WBVHZDCISA-N 0 0 317.429 3.045 10 30 DGEERN C=CCCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C ZINC000564168961 340527757 /nfs/dbraw/zinc/52/77/57/340527757.db2.gz YXJWZRUOSRUGKV-UHFFFAOYSA-N 0 0 317.838 3.325 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000194515731 340593118 /nfs/dbraw/zinc/59/31/18/340593118.db2.gz KXGIEGAICBHBBT-UHFFFAOYSA-N 0 0 313.279 3.169 10 30 DGEERN C=CCOc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000529352330 340753314 /nfs/dbraw/zinc/75/33/14/340753314.db2.gz XUJUCJMNZWTXGB-DZGCQCFKSA-N 0 0 324.218 3.041 10 30 DGEERN C=CCCOCCNC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000127066921 340843175 /nfs/dbraw/zinc/84/31/75/340843175.db2.gz JFBNOUDCVFJYMS-UHFFFAOYSA-N 0 0 320.433 3.046 10 30 DGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)nc1C ZINC000068743125 340927929 /nfs/dbraw/zinc/92/79/29/340927929.db2.gz SNJRMMXIYHZAGC-UHFFFAOYSA-N 0 0 305.381 3.399 10 30 DGEERN CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000541864564 340986358 /nfs/dbraw/zinc/98/63/58/340986358.db2.gz YVYUJYVOSICXIR-QGZVFWFLSA-N 0 0 320.364 3.050 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000544179723 341073076 /nfs/dbraw/zinc/07/30/76/341073076.db2.gz ZOPQNUJEUGUBMU-OLZOCXBDSA-N 0 0 323.387 3.197 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000074876483 341154085 /nfs/dbraw/zinc/15/40/85/341154085.db2.gz XRNPFZWYWJWYDJ-HNNXBMFYSA-N 0 0 310.401 3.317 10 30 DGEERN C#C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000134022717 341204829 /nfs/dbraw/zinc/20/48/29/341204829.db2.gz ALNWGFCTYUWZJJ-ILXRZTDVSA-N 0 0 321.417 3.025 10 30 DGEERN C=CCCCCNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000547448243 341214226 /nfs/dbraw/zinc/21/42/26/341214226.db2.gz HMLPNOUUZGYYQQ-UHFFFAOYSA-N 0 0 303.406 3.001 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CSC ZINC000077626790 341227617 /nfs/dbraw/zinc/22/76/17/341227617.db2.gz MUGWOHSBTNMRAL-GFCCVEGCSA-N 0 0 323.418 3.044 10 30 DGEERN C=C(C)COc1cc(CNc2cc(OC)n(C)n2)ccc1OC ZINC000547820167 341234712 /nfs/dbraw/zinc/23/47/12/341234712.db2.gz VCEKPRCWMMAGFT-UHFFFAOYSA-N 0 0 317.389 3.004 10 30 DGEERN C=C(C)COCCNC(=O)Nc1cc(F)ccc1OC(C)C ZINC000137341332 341274129 /nfs/dbraw/zinc/27/41/29/341274129.db2.gz SMIXCLIXYHATAW-UHFFFAOYSA-N 0 0 310.369 3.327 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC(OC(C)C)CC1 ZINC000548854683 341278120 /nfs/dbraw/zinc/27/81/20/341278120.db2.gz SPCSJZQFISXWCA-UHFFFAOYSA-N 0 0 320.481 3.447 10 30 DGEERN C=CCCCN(C)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000089812563 341409174 /nfs/dbraw/zinc/40/91/74/341409174.db2.gz BJBZKCBKJOLHGG-UHFFFAOYSA-N 0 0 323.383 3.438 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCCC1(C)C ZINC000565422998 341526907 /nfs/dbraw/zinc/52/69/07/341526907.db2.gz XMKVOCSCEGVFPP-UHFFFAOYSA-N 0 0 303.435 3.275 10 30 DGEERN C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000565748019 341537048 /nfs/dbraw/zinc/53/70/48/341537048.db2.gz XODQZOQXMICKAA-UCLAIMLFSA-N 0 0 301.430 3.357 10 30 DGEERN C=C(C)CNC(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000567760730 341632119 /nfs/dbraw/zinc/63/21/19/341632119.db2.gz YVCQUPQTSRQNAW-UONOGXRCSA-N 0 0 312.417 3.464 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000328623160 341735071 /nfs/dbraw/zinc/73/50/71/341735071.db2.gz IYRDLLSJQFUESK-XJKCOSOUSA-N 0 0 315.373 3.125 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)CN1CC(C)(C)C1 ZINC000574461645 341759354 /nfs/dbraw/zinc/75/93/54/341759354.db2.gz AOIYSEDCQKEAID-UHFFFAOYSA-N 0 0 312.866 3.258 10 30 DGEERN C=CCC[C@H]1NC(=O)N(c2nn(C3CCCCC3)cc2C)C1=O ZINC000574662707 341765276 /nfs/dbraw/zinc/76/52/76/341765276.db2.gz KORWDQQNUVHVGB-CQSZACIVSA-N 0 0 316.405 3.088 10 30 DGEERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(CC#N)c1 ZINC000171445826 341778144 /nfs/dbraw/zinc/77/81/44/341778144.db2.gz ALBJHEXLHSTOEX-GFCCVEGCSA-N 0 0 321.336 3.252 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC(C)(F)F ZINC000580584087 341881776 /nfs/dbraw/zinc/88/17/76/341881776.db2.gz UCBHSEKYVVJIMF-UHFFFAOYSA-N 0 0 324.371 3.248 10 30 DGEERN C=CC[C@@H](CC)NC(=O)Nc1ccnc(C)c1Br ZINC000577718804 341931410 /nfs/dbraw/zinc/93/14/10/341931410.db2.gz UYKWGNYTWUBWMW-SNVBAGLBSA-N 0 0 312.211 3.051 10 30 DGEERN N#CCc1ccc(NC(=O)c2nscc2Br)cc1 ZINC000404785266 1176911186 /nfs/dbraw/zinc/91/11/86/1176911186.db2.gz FBMNQGNGNGTIQB-UHFFFAOYSA-N 0 0 322.187 3.224 10 30 DGEERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329604480 533756096 /nfs/dbraw/zinc/75/60/96/533756096.db2.gz GUNVOJBPTLISBU-ZLDLUXBVSA-N 0 0 302.422 3.496 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1c(F)cc(F)cc1F ZINC000175297187 533965001 /nfs/dbraw/zinc/96/50/01/533965001.db2.gz XVPTXQIDDVACMK-SECBINFHSA-N 0 0 320.270 3.382 10 30 DGEERN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C#N)ccn1 ZINC000436011693 533968524 /nfs/dbraw/zinc/96/85/24/533968524.db2.gz DSOJKPTZWXRHED-SNVBAGLBSA-N 0 0 301.733 3.013 10 30 DGEERN COc1ccccc1CCN(C)c1cc(C#N)ccc1C(C)=O ZINC000302104979 534035235 /nfs/dbraw/zinc/03/52/35/534035235.db2.gz NCEQEPHPUXXBJN-UHFFFAOYSA-N 0 0 308.381 3.448 10 30 DGEERN C[C@@H](CNC(=O)c1sccc1C#N)c1ccc(F)cc1F ZINC000174323644 534051938 /nfs/dbraw/zinc/05/19/38/534051938.db2.gz AKXLMZONQLUZGO-VIFPVBQESA-N 0 0 306.337 3.431 10 30 DGEERN C[C@@H]1CC[C@@H](NS(=O)(=O)CCCCC#N)c2ccccc21 ZINC000162334990 534191089 /nfs/dbraw/zinc/19/10/89/534191089.db2.gz MBHQHKQYAVTQHS-CZUORRHYSA-N 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/nfs/dbraw/zinc/43/67/43/534436743.db2.gz BXQCOKQVDUSBNA-DYVFJYSZSA-N 0 0 323.400 3.160 10 30 DGEERN C=CC(C)(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000450097441 534500846 /nfs/dbraw/zinc/50/08/46/534500846.db2.gz OQQOWPWTYRFWNI-SNVBAGLBSA-N 0 0 310.419 3.018 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000455384969 534512796 /nfs/dbraw/zinc/51/27/96/534512796.db2.gz MXUSRTXAMQROFB-HZPDHXFCSA-N 0 0 302.418 3.276 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000455384965 534513190 /nfs/dbraw/zinc/51/31/90/534513190.db2.gz MXUSRTXAMQROFB-CVEARBPZSA-N 0 0 302.418 3.276 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000494181213 534548543 /nfs/dbraw/zinc/54/85/43/534548543.db2.gz ACUOVBKRVVOYSD-MRXNPFEDSA-N 0 0 310.401 3.122 10 30 DGEERN N#CC1(c2ccc(C(=O)N3CCO[C@@H](c4ccco4)C3)cc2)CC1 ZINC000180528912 534572116 /nfs/dbraw/zinc/57/21/16/534572116.db2.gz YYWOJBPFOZPTKA-QGZVFWFLSA-N 0 0 322.364 3.048 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC000182306531 534575194 /nfs/dbraw/zinc/57/51/94/534575194.db2.gz IUFVIIRMKSALDK-UHFFFAOYSA-N 0 0 308.356 3.353 10 30 DGEERN N#CC1CCC(CNC(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000440991364 534578196 /nfs/dbraw/zinc/57/81/96/534578196.db2.gz XCRTZMDIMNRKID-UHFFFAOYSA-N 0 0 317.355 3.300 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000451149592 534579486 /nfs/dbraw/zinc/57/94/86/534579486.db2.gz RDTGLAVEFLUJCF-WOPDTQHZSA-N 0 0 305.340 3.015 10 30 DGEERN N#CC1CCC(CNC(=O)NCC2Cc3ccccc3C2)CC1 ZINC000440985639 534580255 /nfs/dbraw/zinc/58/02/55/534580255.db2.gz MQTQBCOODGXMIH-UHFFFAOYSA-N 0 0 311.429 3.031 10 30 DGEERN N#CC1CCC(CNC(=O)NCc2cccc3cc[nH]c32)CC1 ZINC000440990591 534581310 /nfs/dbraw/zinc/58/13/10/534581310.db2.gz VLPMKXSVJCKOQJ-UHFFFAOYSA-N 0 0 310.401 3.297 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000455052878 534605338 /nfs/dbraw/zinc/60/53/38/534605338.db2.gz ZQQGFBDAESWUBF-HIFRSBDPSA-N 0 0 320.437 3.128 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489451433 534712402 /nfs/dbraw/zinc/71/24/02/534712402.db2.gz YMHVTUAXWXCYSV-UHFFFAOYSA-N 0 0 310.444 3.191 10 30 DGEERN C=CCCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1CC ZINC000468384603 534732813 /nfs/dbraw/zinc/73/28/13/534732813.db2.gz OKTDKNGWNZSLFM-UHFFFAOYSA-N 0 0 318.808 3.179 10 30 DGEERN C=CCCCS(=O)(=O)N(CCC)[C@@H]1CCCc2cccnc21 ZINC000489638221 534738908 /nfs/dbraw/zinc/73/89/08/534738908.db2.gz KJYIHKKWGPUNPI-MRXNPFEDSA-N 0 0 322.474 3.467 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000489662895 534741653 /nfs/dbraw/zinc/74/16/53/534741653.db2.gz SFZDTCBNUPLYGY-MRXNPFEDSA-N 0 0 307.459 3.389 10 30 DGEERN C=CCCCS(=O)(=O)NCc1cccc(-c2ccccn2)c1 ZINC000489720177 534744573 /nfs/dbraw/zinc/74/45/73/534744573.db2.gz LJIJINJGHIDTKC-UHFFFAOYSA-N 0 0 316.426 3.134 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000488181976 534747710 /nfs/dbraw/zinc/74/77/10/534747710.db2.gz SWBYPYVKOZTADE-JKSUJKDBSA-N 0 0 316.445 3.076 10 30 DGEERN O=C(NCCOC1CCCC1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329624415 534753084 /nfs/dbraw/zinc/75/30/84/534753084.db2.gz UYSRWMIWSIOWBT-QGZVFWFLSA-N 0 0 324.465 3.141 10 30 DGEERN Cc1cccc2[nH]c(CCC(=O)N[C@@H](C#N)C3CCCCC3)nc21 ZINC000177716697 534770431 /nfs/dbraw/zinc/77/04/31/534770431.db2.gz GVVRUZVRLMEUQS-INIZCTEOSA-N 0 0 324.428 3.393 10 30 DGEERN COc1ccc(NC(=O)c2ccc(C#N)cc2C)c([N+](=O)[O-])c1 ZINC000154412992 524630802 /nfs/dbraw/zinc/63/08/02/524630802.db2.gz NPBRZFMWXGGPNO-UHFFFAOYSA-N 0 0 311.297 3.036 10 30 DGEERN Cc1ccccc1SCC(=O)NCc1cc(C#N)ccc1F ZINC000174426334 525337619 /nfs/dbraw/zinc/33/76/19/525337619.db2.gz FQZBMNIHILJRBR-UHFFFAOYSA-N 0 0 314.385 3.414 10 30 DGEERN Cc1cc(Sc2ccc(S(C)(=O)=O)cc2)c(C#N)c(C)n1 ZINC000156824065 525442479 /nfs/dbraw/zinc/44/24/79/525442479.db2.gz FSEQHWMUJNROIP-UHFFFAOYSA-N 0 0 318.423 3.125 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000438446042 526291603 /nfs/dbraw/zinc/29/16/03/526291603.db2.gz QSNXOSFVGHCZIV-KOMQPUFPSA-N 0 0 322.836 3.430 10 30 DGEERN C=CCN(CCc1ccccc1)C(=O)COc1ccc(O)cc1 ZINC000357807910 526309153 /nfs/dbraw/zinc/30/91/53/526309153.db2.gz MQRHALFFNBXCLN-UHFFFAOYSA-N 0 0 311.381 3.028 10 30 DGEERN C=CCN(CCc1ccccc1)c1nc([C@H](C)OC)ns1 ZINC000337905404 526314557 /nfs/dbraw/zinc/31/45/57/526314557.db2.gz BDHIEYMJQCEYJQ-ZDUSSCGKSA-N 0 0 303.431 3.481 10 30 DGEERN CC#CCCNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000434334753 526317277 /nfs/dbraw/zinc/31/72/77/526317277.db2.gz PKNYVLKITFBRAQ-UHFFFAOYSA-N 0 0 323.234 3.312 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)C1 ZINC000336914309 526347945 /nfs/dbraw/zinc/34/79/45/526347945.db2.gz KVRDPTIWXLFYBX-CYBMUJFWSA-N 0 0 303.362 3.045 10 30 DGEERN CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000443370486 526375612 /nfs/dbraw/zinc/37/56/12/526375612.db2.gz PLFBJCXHWHLLDS-NSHDSACASA-N 0 0 304.699 3.266 10 30 DGEERN C=CCN(Cc1cccs1)Cc1ccc(C(=O)OC)cn1 ZINC000352096460 526377494 /nfs/dbraw/zinc/37/74/94/526377494.db2.gz GMDWVXIUOQKQAH-UHFFFAOYSA-N 0 0 302.399 3.118 10 30 DGEERN C=CCN(c1nnc(CCc2ccco2)n1CC(=C)C)C1CC1 ZINC000359243273 526387098 /nfs/dbraw/zinc/38/70/98/526387098.db2.gz OYNJCWYLBWNJQD-UHFFFAOYSA-N 0 0 312.417 3.387 10 30 DGEERN C=C(C)CCSCC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000350767875 526460433 /nfs/dbraw/zinc/46/04/33/526460433.db2.gz PFBUCFWWNGAKKL-UHFFFAOYSA-N 0 0 306.431 3.074 10 30 DGEERN C=C(C)CCc1noc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000285051495 526468567 /nfs/dbraw/zinc/46/85/67/526468567.db2.gz HPLYYGIVIYUFSS-CQSZACIVSA-N 0 0 311.385 3.407 10 30 DGEERN C=CCNC(=O)Cc1noc(/C(C)=C/c2ccc(Cl)cc2)n1 ZINC000445332714 526579579 /nfs/dbraw/zinc/57/95/79/526579579.db2.gz LWQUOVOLONTVFU-PKNBQFBNSA-N 0 0 317.776 3.128 10 30 DGEERN C=CCNC(=O)c1ccc(N2CC[C@@](C)(c3ccccc3)C2)nc1 ZINC000446847625 526642780 /nfs/dbraw/zinc/64/27/80/526642780.db2.gz AYVSNYCPSNHESA-HXUWFJFHSA-N 0 0 321.424 3.165 10 30 DGEERN C=C(C)COCCNC(=O)NCc1ccccc1OC1CCC1 ZINC000134979556 526643300 /nfs/dbraw/zinc/64/33/00/526643300.db2.gz WFZFAAOBGPAJOR-UHFFFAOYSA-N 0 0 318.417 3.010 10 30 DGEERN C=CCNC(=O)c1ccc(NC(=O)N2CC(C)=C[C@H](C)C2)cc1 ZINC000431975523 526646501 /nfs/dbraw/zinc/64/65/01/526646501.db2.gz XKEAVMDBLYDQGE-ZDUSSCGKSA-N 0 0 313.401 3.032 10 30 DGEERN C=C(C)COCCNC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000346755596 526647458 /nfs/dbraw/zinc/64/74/58/526647458.db2.gz XLQNZJLOJHRMLJ-UHFFFAOYSA-N 0 0 322.453 3.377 10 30 DGEERN C#CCCCCC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000180532973 526687454 /nfs/dbraw/zinc/68/74/54/526687454.db2.gz JNLMBQHJNCWZJG-KRWDZBQOSA-N 0 0 303.377 3.228 10 30 DGEERN C#CCCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000180532339 526690336 /nfs/dbraw/zinc/69/03/36/526690336.db2.gz QKUCCGVOOMYRBA-WMZOPIPTSA-N 0 0 320.383 3.020 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338514838 526694012 /nfs/dbraw/zinc/69/40/12/526694012.db2.gz PZQODGMJVOKHAK-OAHLLOKOSA-N 0 0 324.428 3.361 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000184300946 526699036 /nfs/dbraw/zinc/69/90/36/526699036.db2.gz WDVDQAZCPWDBAS-IUODEOHRSA-N 0 0 315.335 3.155 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccc(C)cc1OCCOC ZINC000185819698 526699050 /nfs/dbraw/zinc/69/90/50/526699050.db2.gz RRNGRDIRUQLXSC-OAHLLOKOSA-N 0 0 305.418 3.239 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000185576544 526699201 /nfs/dbraw/zinc/69/92/01/526699201.db2.gz VDNNTHRRISCXJW-DOMZBBRYSA-N 0 0 310.388 3.286 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2cccs2)nn1CCO ZINC000185637588 526702363 /nfs/dbraw/zinc/70/23/63/526702363.db2.gz OAGKUKGHUVSLJN-GFCCVEGCSA-N 0 0 319.430 3.145 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000184853521 526702501 /nfs/dbraw/zinc/70/25/01/526702501.db2.gz QYIGYOZNCHQHHU-CYBMUJFWSA-N 0 0 313.401 3.025 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000184230995 526703335 /nfs/dbraw/zinc/70/33/35/526703335.db2.gz QLSPQNDYNTXLOE-CQSZACIVSA-N 0 0 302.418 3.189 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000185658977 526703951 /nfs/dbraw/zinc/70/39/51/526703951.db2.gz NVHRLJQIPDWAGG-CYBMUJFWSA-N 0 0 306.381 3.203 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000184970154 526704892 /nfs/dbraw/zinc/70/48/92/526704892.db2.gz XMUDHZAYMVIPPU-AWEZNQCLSA-N 0 0 318.417 3.085 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000185665222 526705109 /nfs/dbraw/zinc/70/51/09/526705109.db2.gz UDTTYBAPHGEOTC-LBPRGKRZSA-N 0 0 307.390 3.278 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000183736092 526706976 /nfs/dbraw/zinc/70/69/76/526706976.db2.gz JLRXAUFVOOUMCA-LSDHHAIUSA-N 0 0 304.438 3.167 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000185093529 526710467 /nfs/dbraw/zinc/71/04/67/526710467.db2.gz PNIANSCLRWQTEY-UONOGXRCSA-N 0 0 306.475 3.213 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000185332337 526711765 /nfs/dbraw/zinc/71/17/65/526711765.db2.gz ZCGXQPANGOHBHI-AWEZNQCLSA-N 0 0 300.402 3.032 10 30 DGEERN C#CCCCNC(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000173329043 526712166 /nfs/dbraw/zinc/71/21/66/526712166.db2.gz AJUYSPSYYKMHGZ-XJKSGUPXSA-N 0 0 320.820 3.225 10 30 DGEERN C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000355594845 526712846 /nfs/dbraw/zinc/71/28/46/526712846.db2.gz WXHXDMLTLCDJCK-LBPRGKRZSA-N 0 0 307.699 3.262 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000185493918 526712958 /nfs/dbraw/zinc/71/29/58/526712958.db2.gz BNLGHXJLQXPQGX-UONOGXRCSA-N 0 0 305.418 3.353 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000185600046 526713246 /nfs/dbraw/zinc/71/32/46/526713246.db2.gz IWKVPIBFNJCBJP-HOTGVXAUSA-N 0 0 316.445 3.383 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000184853499 526713855 /nfs/dbraw/zinc/71/38/55/526713855.db2.gz QYIGYOZNCHQHHU-ZDUSSCGKSA-N 0 0 313.401 3.025 10 30 DGEERN C=CCOCC(=O)N[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000435401643 526717597 /nfs/dbraw/zinc/71/75/97/526717597.db2.gz LPEASIRZQOSQTI-IRXDYDNUSA-N 0 0 303.402 3.004 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N(CC)C[C@H]1CCCO1 ZINC000358932750 526718991 /nfs/dbraw/zinc/71/89/91/526718991.db2.gz FORIDZBXELDWEP-OAHLLOKOSA-N 0 0 316.405 3.120 10 30 DGEERN C=C(C)Cn1c(C)nnc1N(C[C@H]1CCCO1)C1CCCC1 ZINC000358961148 526722304 /nfs/dbraw/zinc/72/23/04/526722304.db2.gz UKWAFPCVVWVHOJ-MRXNPFEDSA-N 0 0 304.438 3.091 10 30 DGEERN C=C(C)Cn1c(C2CC2)nnc1N(C)CCc1ncc(C)s1 ZINC000283708517 526724771 /nfs/dbraw/zinc/72/47/71/526724771.db2.gz WBHSAKSODWZGPU-UHFFFAOYSA-N 0 0 317.462 3.175 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H]1C ZINC000359246891 526729280 /nfs/dbraw/zinc/72/92/80/526729280.db2.gz VQQVNPLKFYQBKV-CQSZACIVSA-N 0 0 300.406 3.221 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)C1CCC1 ZINC000359248433 526729507 /nfs/dbraw/zinc/72/95/07/526729507.db2.gz CFELKOKWDSPGTN-UHFFFAOYSA-N 0 0 300.406 3.221 10 30 DGEERN C=C(C)Cn1c(COCC)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000359114110 526730478 /nfs/dbraw/zinc/73/04/78/526730478.db2.gz GZJNNDOVYFTOBT-AWEZNQCLSA-N 0 0 304.438 3.160 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173422199 526731611 /nfs/dbraw/zinc/73/16/11/526731611.db2.gz SFUYDSAELALCJN-CQSZACIVSA-N 0 0 308.447 3.140 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@@H](C)CC#N ZINC000424240019 526735888 /nfs/dbraw/zinc/73/58/88/526735888.db2.gz HWGWJNYZYBYDAQ-STQMWFEESA-N 0 0 305.451 3.161 10 30 DGEERN C=CCOCCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000173623317 526737158 /nfs/dbraw/zinc/73/71/58/526737158.db2.gz RYOXPODXVWDYDQ-NVXWUHKLSA-N 0 0 317.429 3.382 10 30 DGEERN C=C(C)[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1 ZINC000185836737 526754976 /nfs/dbraw/zinc/75/49/76/526754976.db2.gz RWINPMRBSLNGRV-OWCLPIDISA-N 0 0 324.371 3.185 10 30 DGEERN C=C(C)[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(F)c(F)c1 ZINC000186032136 526756942 /nfs/dbraw/zinc/75/69/42/526756942.db2.gz IQJFRGDMRJWJGM-MRXNPFEDSA-N 0 0 315.323 3.222 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1OC ZINC000281496553 526777495 /nfs/dbraw/zinc/77/74/95/526777495.db2.gz QLHHZAJUEFPLKL-CPUCHLNUSA-N 0 0 318.417 3.037 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC(F)F)CC1CCC1 ZINC000438059291 526794435 /nfs/dbraw/zinc/79/44/35/526794435.db2.gz ZEMAHXPZWXZXES-ZFWWWQNUSA-N 0 0 316.392 3.044 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000281847341 526794489 /nfs/dbraw/zinc/79/44/89/526794489.db2.gz ROXDVXPFFGDIGU-XIRDDKMYSA-N 0 0 317.433 3.155 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1OC ZINC000281496558 526798869 /nfs/dbraw/zinc/79/88/69/526798869.db2.gz QLHHZAJUEFPLKL-KEYYUXOJSA-N 0 0 318.417 3.037 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@@H](C)[C@H]1COc2ccccc21)OCC ZINC000339487622 526814721 /nfs/dbraw/zinc/81/47/21/526814721.db2.gz MKRCTSJXIIEGMZ-LXZKKBNFSA-N 0 0 303.402 3.039 10 30 DGEERN C=C(C)[C@H](CC(=O)Nc1cc(OC)cc(OC)c1C)OCC ZINC000337159085 526815509 /nfs/dbraw/zinc/81/55/09/526815509.db2.gz RJKMPGNMWTWRAX-HNNXBMFYSA-N 0 0 307.390 3.322 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H](c1nccs1)C(F)(F)F)OCC ZINC000356911704 526816003 /nfs/dbraw/zinc/81/60/03/526816003.db2.gz JFBDENQKPLHXKZ-GXSJLCMTSA-N 0 0 322.352 3.234 10 30 DGEERN C=C(C)[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(F)c(F)c1 ZINC000355726435 526820518 /nfs/dbraw/zinc/82/05/18/526820518.db2.gz JSTRENZGIMMXQV-INIZCTEOSA-N 0 0 313.307 3.279 10 30 DGEERN C=CCOc1ccc(-c2nnc(SCCC3(O)CC3)o2)cc1 ZINC000442909490 526831061 /nfs/dbraw/zinc/83/10/61/526831061.db2.gz VVCAQKIYGDFSKM-UHFFFAOYSA-N 0 0 318.398 3.309 10 30 DGEERN C=CCOc1ccc(C(=O)N(CC(=O)OCC)C(C)(C)C)cc1 ZINC000187480079 526835998 /nfs/dbraw/zinc/83/59/98/526835998.db2.gz KMXHBWVGKDLSGQ-UHFFFAOYSA-N 0 0 319.401 3.055 10 30 DGEERN C=CCOc1ccc(C(=O)N(C[C@H](C)OC)C(C)C)cc1OC ZINC000354474992 526837012 /nfs/dbraw/zinc/83/70/12/526837012.db2.gz QRROMOJORWWNPI-AWEZNQCLSA-N 0 0 321.417 3.146 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000292211229 526843317 /nfs/dbraw/zinc/84/33/17/526843317.db2.gz IBBVQWVFELWPFV-NOZJJQNGSA-N 0 0 310.737 3.168 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC(F)F)CC1CCC1 ZINC000438059286 526845391 /nfs/dbraw/zinc/84/53/91/526845391.db2.gz ZEMAHXPZWXZXES-DZGCQCFKSA-N 0 0 316.392 3.044 10 30 DGEERN C=CCOc1ccc(C(=O)Nc2ccc3nc(C)cn3c2)cc1 ZINC000339116067 526852497 /nfs/dbraw/zinc/85/24/97/526852497.db2.gz LBQRUSCPRPEEAK-UHFFFAOYSA-N 0 0 307.353 3.460 10 30 DGEERN C=C(CN1C(=O)N[C@H](CCC(C)(C)C)C1=O)c1ccccc1 ZINC000352689855 526863077 /nfs/dbraw/zinc/86/30/77/526863077.db2.gz AXOAOEORYAYCSL-OAHLLOKOSA-N 0 0 300.402 3.447 10 30 DGEERN C=CCOc1ccc(CN(CCOC)Cc2cccnc2)cc1 ZINC000348997604 526862982 /nfs/dbraw/zinc/86/29/82/526862982.db2.gz BXHGNSZABHKRQF-UHFFFAOYSA-N 0 0 312.413 3.295 10 30 DGEERN C=CCOc1ccc(CN(CCOC)Cc2ccccn2)cc1 ZINC000349061754 526863778 /nfs/dbraw/zinc/86/37/78/526863778.db2.gz JUUQSOCVSLCZGP-UHFFFAOYSA-N 0 0 312.413 3.295 10 30 DGEERN C=C(CNC(=O)Nc1ccc(CC(=O)OC)cc1)c1ccccc1 ZINC000348895992 526876339 /nfs/dbraw/zinc/87/63/39/526876339.db2.gz UOPGDMZBDIPNHI-UHFFFAOYSA-N 0 0 324.380 3.237 10 30 DGEERN C=CCOc1ccc(CNC(=O)c2ccnc3ccncc32)cc1 ZINC000359105395 526884754 /nfs/dbraw/zinc/88/47/54/526884754.db2.gz VGAITYSJXUDOIE-UHFFFAOYSA-N 0 0 319.364 3.125 10 30 DGEERN C=CCOc1ccc(CNCc2ncn(-c3ccccc3)n2)cc1 ZINC000339581597 526887215 /nfs/dbraw/zinc/88/72/15/526887215.db2.gz MVNJPMDGUTXUDE-UHFFFAOYSA-N 0 0 320.396 3.122 10 30 DGEERN C=CCOc1ccc(CNc2ccc(CNC(N)=O)cc2)cc1 ZINC000354214167 526891569 /nfs/dbraw/zinc/89/15/69/526891569.db2.gz VUIGEUOQRQKZLZ-UHFFFAOYSA-N 0 0 311.385 3.032 10 30 DGEERN C=C1CCN(C(=O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC000354143416 526895504 /nfs/dbraw/zinc/89/55/04/526895504.db2.gz UMGLMKTXGICFBG-PLNGDYQASA-N 0 0 301.386 3.286 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cc(-n3ccnc3)ccn2)c1 ZINC000352225398 526918989 /nfs/dbraw/zinc/91/89/89/526918989.db2.gz LCFGMMIXRYXDEH-UHFFFAOYSA-N 0 0 320.352 3.084 10 30 DGEERN C=CCOc1ccccc1C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000352420026 526924190 /nfs/dbraw/zinc/92/41/90/526924190.db2.gz XYSWRUQDIHEVKW-LJQANCHMSA-N 0 0 315.413 3.284 10 30 DGEERN C=CCOc1ccccc1CNC(=O)C[C@@H](C)c1cccnc1 ZINC000360214851 526936806 /nfs/dbraw/zinc/93/68/06/526936806.db2.gz XWIDWCYGHRCWPS-OAHLLOKOSA-N 0 0 310.397 3.456 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1cnc2cnccc2c1 ZINC000336989427 526948818 /nfs/dbraw/zinc/94/88/18/526948818.db2.gz JTJYTJZUOJAQNE-UHFFFAOYSA-N 0 0 319.364 3.125 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000292742674 526988959 /nfs/dbraw/zinc/98/89/59/526988959.db2.gz JVWHQEQFAJJVGZ-INIZCTEOSA-N 0 0 303.402 3.197 10 30 DGEERN C=CCSCCNC(=O)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000338061067 526995193 /nfs/dbraw/zinc/99/51/93/526995193.db2.gz RQSASCGJTMNEOX-CQSZACIVSA-N 0 0 324.421 3.040 10 30 DGEERN C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000432566948 527010126 /nfs/dbraw/zinc/01/01/26/527010126.db2.gz DROSADZGCSRGJT-OAHLLOKOSA-N 0 0 318.465 3.223 10 30 DGEERN C=CCC(C)(C)CNC(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000292514401 527010286 /nfs/dbraw/zinc/01/02/86/527010286.db2.gz DGPAXHFMSVWDBO-UHFFFAOYSA-N 0 0 304.390 3.126 10 30 DGEERN C=CC[C@@H](C(=O)N[C@H](CO)c1ccsc1)c1ccccc1 ZINC000356246589 527017437 /nfs/dbraw/zinc/01/74/37/527017437.db2.gz ADDLOCBYUDHWQZ-HZPDHXFCSA-N 0 0 301.411 3.258 10 30 DGEERN C=CCC(C)(C)c1noc(-c2cnc(-c3cnn(C)c3)s2)n1 ZINC000340817085 527021194 /nfs/dbraw/zinc/02/11/94/527021194.db2.gz IDSRIHVTOZAHKR-UHFFFAOYSA-N 0 0 315.402 3.447 10 30 DGEERN C=CC[C@@H](C)NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000116851205 527021684 /nfs/dbraw/zinc/02/16/84/527021684.db2.gz OHYFUYKKOREXRU-SNVBAGLBSA-N 0 0 311.307 3.136 10 30 DGEERN C#CCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184754714 527031845 /nfs/dbraw/zinc/03/18/45/527031845.db2.gz WKRLIOVNNPIBFZ-JSGCOSHPSA-N 0 0 312.196 3.211 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434328101 527032887 /nfs/dbraw/zinc/03/28/87/527032887.db2.gz RZOVDMNMTPIFGW-UHFFFAOYSA-N 0 0 303.406 3.250 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@]3(CCSC3)C2)CCOCC1 ZINC000424869374 527041583 /nfs/dbraw/zinc/04/15/83/527041583.db2.gz WBUILBMPSWLTSP-MRXNPFEDSA-N 0 0 309.475 3.105 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(C)cc2C)CCOCC1 ZINC000424620126 527053005 /nfs/dbraw/zinc/05/30/05/527053005.db2.gz MFVPCDYTNLCYTL-UHFFFAOYSA-N 0 0 301.430 3.335 10 30 DGEERN C=CCC1(C(=O)NCCc2ccc(C)c(OC)c2)CCOCC1 ZINC000424685675 527053184 /nfs/dbraw/zinc/05/31/84/527053184.db2.gz PJJMEPSTQSKROP-UHFFFAOYSA-N 0 0 317.429 3.035 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000191447714 527056729 /nfs/dbraw/zinc/05/67/29/527056729.db2.gz LJDLSOKGNAANBS-ZDUSSCGKSA-N 0 0 321.442 3.014 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)CCOCC1 ZINC000424980509 527057671 /nfs/dbraw/zinc/05/76/71/527057671.db2.gz KPTDUHPAABDPJV-QAPCUYQASA-N 0 0 303.377 3.113 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(N(CC)CC)nc2)CCOCC1 ZINC000424602294 527060485 /nfs/dbraw/zinc/06/04/85/527060485.db2.gz YWLYBRHIRCQFHA-UHFFFAOYSA-N 0 0 317.433 3.239 10 30 DGEERN C=CC[C@@H](CO)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000185818067 527088068 /nfs/dbraw/zinc/08/80/68/527088068.db2.gz BMNRTXHSQPAYCC-RISCZKNCSA-N 0 0 315.335 3.252 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000350741604 527095227 /nfs/dbraw/zinc/09/52/27/527095227.db2.gz PXIBHQWBUCYAHG-QMMMGPOBSA-N 0 0 304.724 3.336 10 30 DGEERN C=CCCCC(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000345298940 527104045 /nfs/dbraw/zinc/10/40/45/527104045.db2.gz MXVFDRMNELWYDG-UHFFFAOYSA-N 0 0 315.442 3.301 10 30 DGEERN C=CCCCC(=O)N[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000356217627 527110664 /nfs/dbraw/zinc/11/06/64/527110664.db2.gz OAFXYXIEWOTKJD-KRWDZBQOSA-N 0 0 307.365 3.077 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000358327603 527118773 /nfs/dbraw/zinc/11/87/73/527118773.db2.gz SLJXIZJTYXEVHU-UHFFFAOYSA-N 0 0 306.450 3.030 10 30 DGEERN C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cn1)c1ccccc1 ZINC000348553738 527123288 /nfs/dbraw/zinc/12/32/88/527123288.db2.gz OVURPIZDUSTGNP-INIZCTEOSA-N 0 0 323.396 3.082 10 30 DGEERN C=CCCCCCN(C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000153239028 527125268 /nfs/dbraw/zinc/12/52/68/527125268.db2.gz YDNXAHZIVJDEFS-CQSZACIVSA-N 0 0 319.453 3.063 10 30 DGEERN C=CC[C@H](C)NC(=O)N(C)Cc1csc([C@H](C)OCC)n1 ZINC000176865958 527126849 /nfs/dbraw/zinc/12/68/49/527126849.db2.gz KLUOAQWDUALMJL-RYUDHWBXSA-N 0 0 311.451 3.347 10 30 DGEERN C=CC[C@H](CC)N1C(=O)[C@@H](Cc2ccccc2)N(C2CC2)C1=O ZINC000285835968 527142974 /nfs/dbraw/zinc/14/29/74/527142974.db2.gz BKMIGNHWFFWMKU-DOTOQJQBSA-N 0 0 312.413 3.379 10 30 DGEERN C=CC[C@H](CC)NC(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000356876381 527155730 /nfs/dbraw/zinc/15/57/30/527155730.db2.gz RHLMSSOYCPOUAJ-DZGCQCFKSA-N 0 0 315.421 3.080 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)CSCc1ccccn1 ZINC000287161994 527160031 /nfs/dbraw/zinc/16/00/31/527160031.db2.gz GPVIHRJOXRMTPF-KRWDZBQOSA-N 0 0 324.449 3.066 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccn1 ZINC000286761243 527161921 /nfs/dbraw/zinc/16/19/21/527161921.db2.gz UDXRUIONHLBXNF-RDJZCZTQSA-N 0 0 307.397 3.076 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CCCC(C)(C)[C@H]1CC=C ZINC000297833693 527173946 /nfs/dbraw/zinc/17/39/46/527173946.db2.gz QWHSPKRDQKIUBB-OAHLLOKOSA-N 0 0 306.450 3.004 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000297649616 527175170 /nfs/dbraw/zinc/17/51/70/527175170.db2.gz DYPJZAAWZXIPBD-HUUCEWRRSA-N 0 0 318.417 3.004 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000354222046 527179673 /nfs/dbraw/zinc/17/96/73/527179673.db2.gz INXIENCHCLURMP-UHFFFAOYSA-N 0 0 323.396 3.112 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000132769452 527184387 /nfs/dbraw/zinc/18/43/87/527184387.db2.gz ZEAXCOJZUNOATR-ZDUSSCGKSA-N 0 0 318.417 3.126 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000434286860 527185970 /nfs/dbraw/zinc/18/59/70/527185970.db2.gz ICHKGVKCETYZJR-AWEZNQCLSA-N 0 0 312.479 3.039 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000180824950 527188111 /nfs/dbraw/zinc/18/81/11/527188111.db2.gz OQVZPHZAZIWRFA-AWEZNQCLSA-N 0 0 305.418 3.307 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000173844693 527189667 /nfs/dbraw/zinc/18/96/67/527189667.db2.gz IEXBLAHFTHXIAW-HNNXBMFYSA-N 0 0 320.820 3.118 10 30 DGEERN C=CCCCN(C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000184790189 527192020 /nfs/dbraw/zinc/19/20/20/527192020.db2.gz PNIUNPZARDPMRB-UHFFFAOYSA-N 0 0 307.415 3.038 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)C)n1C[C@@H]1CCCO1 ZINC000339018466 527195417 /nfs/dbraw/zinc/19/54/17/527195417.db2.gz YWTBQXGIGHNHIJ-HNNXBMFYSA-N 0 0 306.454 3.058 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000185791925 527200307 /nfs/dbraw/zinc/20/03/07/527200307.db2.gz RQYVSJKBRFCWRD-CJNGLKHVSA-N 0 0 302.418 3.035 10 30 DGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000359002334 527200541 /nfs/dbraw/zinc/20/05/41/527200541.db2.gz NXVBHZWZNUMGRG-CHWSQXEVSA-N 0 0 316.376 3.276 10 30 DGEERN CC(=O)c1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)n(C)c1 ZINC000352165645 527201053 /nfs/dbraw/zinc/20/10/53/527201053.db2.gz HOZBIAAMOQEUHO-KRWDZBQOSA-N 0 0 323.396 3.393 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H](CC)Oc1ccccc1C(C)C ZINC000337080913 527205185 /nfs/dbraw/zinc/20/51/85/527205185.db2.gz VWROEUFCDFNTIC-ZBFHGGJFSA-N 0 0 305.418 3.021 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1ccccc1SCC=C(C)C ZINC000185774553 527207746 /nfs/dbraw/zinc/20/77/46/527207746.db2.gz ZEAMBESLAJMKNT-CQSZACIVSA-N 0 0 305.443 3.412 10 30 DGEERN C=CCCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000448373158 527209724 /nfs/dbraw/zinc/20/97/24/527209724.db2.gz GKCHXHKJNAOLPM-UHFFFAOYSA-N 0 0 319.163 3.153 10 30 DGEERN C=CC[C@H](CO)Nc1cncc(OCc2cccc(Cl)c2)n1 ZINC000182662643 527211768 /nfs/dbraw/zinc/21/17/68/527211768.db2.gz SGKAOEPGEBWXKT-CQSZACIVSA-N 0 0 319.792 3.058 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cnc(CC)o1 ZINC000413605807 527218311 /nfs/dbraw/zinc/21/83/11/527218311.db2.gz KKGWSRFQOQZQBV-OAHLLOKOSA-N 0 0 313.401 3.224 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000413832620 527218813 /nfs/dbraw/zinc/21/88/13/527218813.db2.gz JHWCICJXTZWRGE-KZNAEPCWSA-N 0 0 316.445 3.024 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000413832613 527219438 /nfs/dbraw/zinc/21/94/38/527219438.db2.gz JHWCICJXTZWRGE-KSZLIROESA-N 0 0 316.445 3.024 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000302097171 527229032 /nfs/dbraw/zinc/22/90/32/527229032.db2.gz JRGOZDUTWXKBBC-LJQANCHMSA-N 0 0 322.364 3.044 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000432285319 527239664 /nfs/dbraw/zinc/23/96/64/527239664.db2.gz KTMMDVKSWCTJCR-CQSZACIVSA-N 0 0 313.850 3.425 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000376267138 527263938 /nfs/dbraw/zinc/26/39/38/527263938.db2.gz RNYGUXWPYPTVDX-NVXWUHKLSA-N 0 0 301.434 3.400 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N(C)CC(F)(F)F ZINC000282334104 527266848 /nfs/dbraw/zinc/26/68/48/527266848.db2.gz RBIJMRLWQWKXSX-UHFFFAOYSA-N 0 0 314.311 3.339 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000343238168 527270934 /nfs/dbraw/zinc/27/09/34/527270934.db2.gz MQRHOZNZKRFWSK-HUUCEWRRSA-N 0 0 301.434 3.402 10 30 DGEERN C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000337919627 527271379 /nfs/dbraw/zinc/27/13/79/527271379.db2.gz XQNQPUMZHWWUFM-RDTXWAMCSA-N 0 0 311.433 3.476 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC000337873784 527279275 /nfs/dbraw/zinc/27/92/75/527279275.db2.gz XDAIJMWBBCQJJX-UHFFFAOYSA-N 0 0 319.368 3.232 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N(C)Cc1ccc(C)o1 ZINC000337900177 527282076 /nfs/dbraw/zinc/28/20/76/527282076.db2.gz IFXWNIVAGYONLW-UHFFFAOYSA-N 0 0 323.400 3.372 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000181097452 527287133 /nfs/dbraw/zinc/28/71/33/527287133.db2.gz DVSKGTYDQPEVFZ-DZGCQCFKSA-N 0 0 320.437 3.087 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000350742408 527315996 /nfs/dbraw/zinc/31/59/96/527315996.db2.gz WABXTFBJKKLTSV-HNNXBMFYSA-N 0 0 318.465 3.058 10 30 DGEERN C=CCn1c(CCC(C)C)nnc1N1CCC(C)(COC)CC1 ZINC000337837340 527316151 /nfs/dbraw/zinc/31/61/51/527316151.db2.gz CTTGLKCSTAUPJJ-UHFFFAOYSA-N 0 0 320.481 3.306 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(C)CCC1CC1 ZINC000337770221 527319651 /nfs/dbraw/zinc/31/96/51/527319651.db2.gz DALVKFWJHOOLSM-UHFFFAOYSA-N 0 0 300.406 3.079 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(C)(C)CC1 ZINC000337862382 527320016 /nfs/dbraw/zinc/32/00/16/527320016.db2.gz NUYMZXITUIJVSS-UHFFFAOYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000337810042 527320376 /nfs/dbraw/zinc/32/03/76/527320376.db2.gz KOJDHAZCTMNGTN-CABCVRRESA-N 0 0 314.433 3.325 10 30 DGEERN C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1C ZINC000351071602 527351847 /nfs/dbraw/zinc/35/18/47/527351847.db2.gz DOZXAFOEBDMEQU-RRFJBIMHSA-N 0 0 318.465 3.371 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C)C1 ZINC000337824912 527353207 /nfs/dbraw/zinc/35/32/07/527353207.db2.gz VCSJHGKOXBHILR-YOEHRIQHSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1C ZINC000350728452 527360634 /nfs/dbraw/zinc/36/06/34/527360634.db2.gz BXQXVPKHLBPKOM-CZUORRHYSA-N 0 0 310.401 3.129 10 30 DGEERN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCCC1 ZINC000337709290 527361076 /nfs/dbraw/zinc/36/10/76/527361076.db2.gz BPXIYFNUOJDCDE-MRXNPFEDSA-N 0 0 310.401 3.131 10 30 DGEERN C=CCCOCCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000129619159 527365069 /nfs/dbraw/zinc/36/50/69/527365069.db2.gz PGEICVAQEGLPGH-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000362491778 527383624 /nfs/dbraw/zinc/38/36/24/527383624.db2.gz FSTSPKFHVONSPC-NEPJUHHUSA-N 0 0 304.415 3.455 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CCN(c2ccccc2)C[C@H]1CC ZINC000183611232 527392103 /nfs/dbraw/zinc/39/21/03/527392103.db2.gz PACPZXLAWUESRI-IAGOWNOFSA-N 0 0 316.445 3.095 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@@](F)(c2ccccc2C)C1 ZINC000337332128 527393794 /nfs/dbraw/zinc/39/37/94/527393794.db2.gz JDHRDUVSOSKLKI-QAPCUYQASA-N 0 0 305.393 3.373 10 30 DGEERN C=CCCO[C@H](C)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000346493100 527398312 /nfs/dbraw/zinc/39/83/12/527398312.db2.gz LDEVQOROCIFGAA-DJIMGWMZSA-N 0 0 303.402 3.004 10 30 DGEERN C=CCCS(=O)(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000120168270 527407079 /nfs/dbraw/zinc/40/70/79/527407079.db2.gz HHHKRMAVGLEKTI-KRWDZBQOSA-N 0 0 305.443 3.434 10 30 DGEERN CC(=O)c1ccsc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000427420416 527408956 /nfs/dbraw/zinc/40/89/56/527408956.db2.gz KIYOZVISUXEYEY-UHFFFAOYSA-N 0 0 324.365 3.484 10 30 DGEERN C=CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000435123472 527419484 /nfs/dbraw/zinc/41/94/84/527419484.db2.gz HBLNBPQBVXSRFZ-IRXDYDNUSA-N 0 0 323.458 3.181 10 30 DGEERN C#Cc1ccc(CNC(=O)C[C@H](C)c2ccccc2OC)cc1 ZINC000295619280 527434412 /nfs/dbraw/zinc/43/44/12/527434412.db2.gz YMBSKVSWFHRJMB-HNNXBMFYSA-N 0 0 307.393 3.487 10 30 DGEERN C#Cc1ccc(CNC(=O)[C@H]2CCc3ccc(OC)cc32)cc1 ZINC000295494093 527437071 /nfs/dbraw/zinc/43/70/71/527437071.db2.gz OTKHKBNIQGGHCU-SFHVURJKSA-N 0 0 305.377 3.023 10 30 DGEERN C=CCC[C@@H](NC(=O)NC[C@@H](CO)C1CC1)c1ccccc1 ZINC000358802640 527440805 /nfs/dbraw/zinc/44/08/05/527440805.db2.gz FSXJITONXKXOSL-DLBZAZTESA-N 0 0 302.418 3.012 10 30 DGEERN C=CCC[C@@H](NC(=O)NC[C@H](CO)C1CC1)c1ccccc1 ZINC000358802641 527441059 /nfs/dbraw/zinc/44/10/59/527441059.db2.gz FSXJITONXKXOSL-IAGOWNOFSA-N 0 0 302.418 3.012 10 30 DGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@]2(C)CCCO2)c1 ZINC000132325949 527443391 /nfs/dbraw/zinc/44/33/91/527443391.db2.gz PXQJUOGPVYICJP-LJQANCHMSA-N 0 0 309.365 3.363 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000425561853 527495514 /nfs/dbraw/zinc/49/55/14/527495514.db2.gz DBQWOVYKQFINRA-UBDQQSCGSA-N 0 0 314.429 3.370 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000424921241 527498060 /nfs/dbraw/zinc/49/80/60/527498060.db2.gz FJVZZOFGGJXJSV-BBRMVZONSA-N 0 0 318.373 3.039 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC12CCCC2 ZINC000337540284 527503216 /nfs/dbraw/zinc/50/32/16/527503216.db2.gz JATLNYOARMKNTA-MRXNPFEDSA-N 0 0 312.413 3.193 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000337525203 527505882 /nfs/dbraw/zinc/50/58/82/527505882.db2.gz BAAGINGXJKZPNM-CQSZACIVSA-N 0 0 302.418 3.430 10 30 DGEERN C=CCN(C(=O)CC1(C)CC1)c1nc(C(=O)OCC)cs1 ZINC000428916614 527533891 /nfs/dbraw/zinc/53/38/91/527533891.db2.gz TYPCDFLURWSLKX-UHFFFAOYSA-N 0 0 308.403 3.029 10 30 DGEERN C=CCN(C(=O)C[C@H](NC(C)=O)c1ccccc1)c1ccccc1 ZINC000351771547 527537282 /nfs/dbraw/zinc/53/72/82/527537282.db2.gz UXHORDISDLPTEE-IBGZPJMESA-N 0 0 322.408 3.473 10 30 DGEERN C=CCN(C(=O)C[C@H]1C=CCC1)c1nc(C(=O)OCC)cs1 ZINC000337070242 527537595 /nfs/dbraw/zinc/53/75/95/527537595.db2.gz WRGYSTIJQYOOSL-LBPRGKRZSA-N 0 0 320.414 3.195 10 30 DGEERN C=CCN(C(=O)Cn1ccc(=O)c2ccccc21)c1ccccc1 ZINC000344295368 527537930 /nfs/dbraw/zinc/53/79/30/527537930.db2.gz JYQZTGSEUGONOH-UHFFFAOYSA-N 0 0 318.376 3.221 10 30 DGEERN C=CCN(C(=O)Nc1csc(-c2ccccn2)n1)C1CC1 ZINC000350188275 527541567 /nfs/dbraw/zinc/54/15/67/527541567.db2.gz YYSGYIDLJNVPMV-UHFFFAOYSA-N 0 0 300.387 3.387 10 30 DGEERN C=C[C@H](CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000181377704 527574451 /nfs/dbraw/zinc/57/44/51/527574451.db2.gz BENAFAAXSWZHQB-ZBFHGGJFSA-N 0 0 310.401 3.218 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)CCc1c(C)noc1Cl ZINC000299708025 527585703 /nfs/dbraw/zinc/58/57/03/527585703.db2.gz SZYMSENZTCVOOM-UHFFFAOYSA-N 0 0 310.703 3.146 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC000342007716 527586861 /nfs/dbraw/zinc/58/68/61/527586861.db2.gz MSIQVPQZIWAAPY-GFCCVEGCSA-N 0 0 303.328 3.028 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000431602461 527587902 /nfs/dbraw/zinc/58/79/02/527587902.db2.gz GHOVLNISAFAZMF-UHFFFAOYSA-N 0 0 315.320 3.329 10 30 DGEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000135008529 527610954 /nfs/dbraw/zinc/61/09/54/527610954.db2.gz DYVJLFKAJLLIRE-HNAYVOBHSA-N 0 0 316.445 3.240 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1(C)CCC1 ZINC000175105021 527745842 /nfs/dbraw/zinc/74/58/42/527745842.db2.gz SMSJBTODZGYTLX-INIZCTEOSA-N 0 0 300.402 3.268 10 30 DGEERN CC1(C)[C@H](Nc2cnc(C#N)cn2)C[C@@H]1OCc1ccccc1 ZINC000302421737 527877560 /nfs/dbraw/zinc/87/75/60/527877560.db2.gz OEWOADOVMFPWEM-CVEARBPZSA-N 0 0 308.385 3.144 10 30 DGEERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000441013863 527901856 /nfs/dbraw/zinc/90/18/56/527901856.db2.gz OGSDCWXGVLDDCX-BHUNQDJPSA-N 0 0 321.465 3.067 10 30 DGEERN CCCCCCCC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000154034218 528119493 /nfs/dbraw/zinc/11/94/93/528119493.db2.gz ATBZQMCADPGUCK-UHFFFAOYSA-N 0 0 305.344 3.416 10 30 DGEERN CCOc1ccc(C#N)cc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000179468266 528377218 /nfs/dbraw/zinc/37/72/18/528377218.db2.gz HCRRAYWPZPAGSR-RYUDHWBXSA-N 0 0 302.374 3.099 10 30 DGEERN CCCCN(CCOC)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180559207 528437024 /nfs/dbraw/zinc/43/70/24/528437024.db2.gz WSIJVZBJRCHNNI-UHFFFAOYSA-N 0 0 300.402 3.130 10 30 DGEERN CCOCCC1(CNC(=O)NCC2CCC(C#N)CC2)CCC1 ZINC000440981963 528618749 /nfs/dbraw/zinc/61/87/49/528618749.db2.gz IMZNWVQNIBIXGB-UHFFFAOYSA-N 0 0 321.465 3.212 10 30 DGEERN CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCc3cncnc3C2)CC1 ZINC000329918697 528683087 /nfs/dbraw/zinc/68/30/87/528683087.db2.gz RITXLSDNOHVGKN-ZBFHGGJFSA-N 0 0 316.449 3.354 10 30 DGEERN CC(C)Cc1nsc(NCCOc2ccc(C#N)cc2)n1 ZINC000302265971 528687690 /nfs/dbraw/zinc/68/76/90/528687690.db2.gz FWIKMMUURTVWEF-UHFFFAOYSA-N 0 0 302.403 3.099 10 30 DGEERN CCN(C[C@H](C)C#N)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000094015758 528703431 /nfs/dbraw/zinc/70/34/31/528703431.db2.gz KXWLPTZXOZHAKM-CYBMUJFWSA-N 0 0 316.401 3.264 10 30 DGEERN CCC(CC)[C@H](CCNC(=O)NCC1CCC(C#N)CC1)OC ZINC000440999090 528848775 /nfs/dbraw/zinc/84/87/75/528848775.db2.gz AZFVJNZZCIAFEX-DQPZFDDXSA-N 0 0 323.481 3.457 10 30 DGEERN CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333610939 528883226 /nfs/dbraw/zinc/88/32/26/528883226.db2.gz OCRGWOLRVIYDMC-VUHPKUFZSA-N 0 0 311.429 3.370 10 30 DGEERN CCN(Cc1nc2cc(Br)ccc2[nH]1)C[C@H](C)C#N ZINC000184959480 528887901 /nfs/dbraw/zinc/88/79/01/528887901.db2.gz AREAHFMLFHNPQY-SNVBAGLBSA-N 0 0 321.222 3.307 10 30 DGEERN CCCC[C@H](C)N(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000359710254 528890464 /nfs/dbraw/zinc/89/04/64/528890464.db2.gz WZTIVRLTDODZHB-SUMWQHHRSA-N 0 0 310.438 3.285 10 30 DGEERN CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](C)c1cccnc1 ZINC000089810688 528977441 /nfs/dbraw/zinc/97/74/41/528977441.db2.gz YILSTXDORHTBMS-OAHLLOKOSA-N 0 0 323.396 3.136 10 30 DGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330151555 529213505 /nfs/dbraw/zinc/21/35/05/529213505.db2.gz WFVFOQIZLXTPSK-AYRXBEOTSA-N 0 0 323.462 3.128 10 30 DGEERN CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000451996000 535806784 /nfs/dbraw/zinc/80/67/84/535806784.db2.gz OVAPOBKFEKRISB-MRXNPFEDSA-N 0 0 324.421 3.086 10 30 DGEERN COc1ccc(OC)c([C@H](C)NC(=O)c2sccc2C#N)c1 ZINC000052029119 545690720 /nfs/dbraw/zinc/69/07/20/545690720.db2.gz DULOCKMWAFMRMP-JTQLQIEISA-N 0 0 316.382 3.128 10 30 DGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC(c2nccs2)CC1 ZINC000328753496 546481464 /nfs/dbraw/zinc/48/14/64/546481464.db2.gz NTCOXJLCWYXBTB-OCCSQVGLSA-N 0 0 323.462 3.194 10 30 DGEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NCC1CCCC1)C2 ZINC000329278764 546484017 /nfs/dbraw/zinc/48/40/17/546484017.db2.gz MDLCPQQWPXYXDC-CQSZACIVSA-N 0 0 318.465 3.189 10 30 DGEERN O=C(NCc1ccc(Cl)cn1)N1CCC[C@H]1C1CCOCC1 ZINC000329409868 546485864 /nfs/dbraw/zinc/48/58/64/546485864.db2.gz BRVAYVDXQNRQPJ-HNNXBMFYSA-N 0 0 323.824 3.040 10 30 DGEERN O=C(N[C@@H]1CC[C@H](F)C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000329483227 546486264 /nfs/dbraw/zinc/48/62/64/546486264.db2.gz WJBYUYOVKKMBSO-HRDYMLBCSA-N 0 0 319.302 3.381 10 30 DGEERN Cc1nc([C@H](C)NC(=O)c2cn(C3CC3)c(C)cc2=O)cs1 ZINC000329532525 546487014 /nfs/dbraw/zinc/48/70/14/546487014.db2.gz JYVWILTYTHZTPO-JTQLQIEISA-N 0 0 317.414 3.322 10 30 DGEERN CCC1CCC(NC(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1 ZINC000329859549 546493074 /nfs/dbraw/zinc/49/30/74/546493074.db2.gz OWIMOGNDSWAHBU-ROKHWSDSSA-N 0 0 305.422 3.197 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cscc1Br ZINC000417605742 546801359 /nfs/dbraw/zinc/80/13/59/546801359.db2.gz CEUFIQFVCAIJPO-VIFPVBQESA-N 0 0 304.209 3.020 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)C(=O)c1cc(F)ccc1F ZINC000730302425 574525060 /nfs/dbraw/zinc/52/50/60/574525060.db2.gz ABCDRCJFWXJXQZ-MNOVXSKESA-N 0 0 312.312 3.060 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)C(=O)c1cc(F)ccc1F ZINC000730302427 574525084 /nfs/dbraw/zinc/52/50/84/574525084.db2.gz ABCDRCJFWXJXQZ-WDEREUQCSA-N 0 0 312.312 3.060 10 30 DGEERN C=C(Br)COC(=O)c1c[nH]c2ccc(OC)cc21 ZINC000730361968 574528182 /nfs/dbraw/zinc/52/81/82/574528182.db2.gz FBHMBBQURZXFCJ-UHFFFAOYSA-N 0 0 310.147 3.242 10 30 DGEERN C#CCOc1cccc(COC(=O)COC2CCCCC2)c1 ZINC000730405369 574528963 /nfs/dbraw/zinc/52/89/63/574528963.db2.gz VBJFVKUOVUNTJC-UHFFFAOYSA-N 0 0 302.370 3.091 10 30 DGEERN C#CCOc1ccccc1[C@H](C)OC(=O)[C@H]1CC1(Cl)Cl ZINC000730424917 574529244 /nfs/dbraw/zinc/52/92/44/574529244.db2.gz KNBPNYURZFQHPK-CMPLNLGQSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)COC2CCCC2)cc1 ZINC000730424884 574529286 /nfs/dbraw/zinc/52/92/86/574529286.db2.gz DEOPDWCGUKYYPL-AWEZNQCLSA-N 0 0 302.370 3.262 10 30 DGEERN C#CCOc1ccc([C@H](C)OC(=O)[C@@H](C)OCC(C)C)cc1 ZINC000730426372 574529384 /nfs/dbraw/zinc/52/93/84/574529384.db2.gz VYBQNWMXTAQPLP-LSDHHAIUSA-N 0 0 304.386 3.364 10 30 DGEERN C#CCOc1ccccc1OC(=O)CCCOc1ccccc1 ZINC000730510054 574530718 /nfs/dbraw/zinc/53/07/18/574530718.db2.gz XGVMSVRQSMGKNR-UHFFFAOYSA-N 0 0 310.349 3.463 10 30 DGEERN C#CCOc1ccc(NC(=O)c2ccc(C)nc2Cl)cc1 ZINC000730982825 574540242 /nfs/dbraw/zinc/54/02/42/574540242.db2.gz ONJDOWURTBQAPF-UHFFFAOYSA-N 0 0 300.745 3.308 10 30 DGEERN N#Cc1ccsc1C(=O)O[C@H]1CCCc2ccccc2C1=O ZINC000731515820 574551384 /nfs/dbraw/zinc/55/13/84/574551384.db2.gz KHFIYUKKSAUMRQ-AWEZNQCLSA-N 0 0 311.362 3.364 10 30 DGEERN Cc1n[nH]c(C)c1C=CC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000731564389 574551921 /nfs/dbraw/zinc/55/19/21/574551921.db2.gz CNIRTWAJORUGCA-HYXAFXHYSA-N 0 0 311.263 3.042 10 30 DGEERN C=C(C)CN(CC)C(=O)COC(=O)/C=C(/C)c1cccc(F)c1 ZINC000732369039 574572517 /nfs/dbraw/zinc/57/25/17/574572517.db2.gz XMGDNIHOZAASHO-ZROIWOOFSA-N 0 0 319.376 3.197 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H](C)Cc1ccccc1 ZINC000732580610 574576257 /nfs/dbraw/zinc/57/62/57/574576257.db2.gz DNEIFUFTIQMRAQ-HZPDHXFCSA-N 0 0 317.429 3.222 10 30 DGEERN C#Cc1cccc(NC(=O)N[C@@H](C)Cc2cccc(OC)c2)c1 ZINC000733031560 574592272 /nfs/dbraw/zinc/59/22/72/574592272.db2.gz MSDDIMRTZCVENL-AWEZNQCLSA-N 0 0 308.381 3.429 10 30 DGEERN C#CCCNC(=S)NCCc1ccc(Cl)cc1Cl ZINC000733211921 574608157 /nfs/dbraw/zinc/60/81/57/574608157.db2.gz INRYXTUEWAYZPI-UHFFFAOYSA-N 0 0 301.242 3.023 10 30 DGEERN C#CCCNC(=O)CCCCc1ccc(Br)cc1 ZINC000733248116 574610084 /nfs/dbraw/zinc/61/00/84/574610084.db2.gz ZAHIULDSTASTMX-UHFFFAOYSA-N 0 0 308.219 3.301 10 30 DGEERN C#CCCNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000733247651 574610112 /nfs/dbraw/zinc/61/01/12/574610112.db2.gz MLXMXRMKIJQPLQ-UHFFFAOYSA-N 0 0 307.397 3.030 10 30 DGEERN C#CCCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000733248154 574610146 /nfs/dbraw/zinc/61/01/46/574610146.db2.gz LRXAFCMFRHKIQO-UHFFFAOYSA-N 0 0 320.414 3.486 10 30 DGEERN CN(C)c1cc(C(=O)OCc2cccc(C#N)c2)cc(Cl)n1 ZINC000733570375 574629058 /nfs/dbraw/zinc/62/90/58/574629058.db2.gz KBVNHJAYPKRRQS-UHFFFAOYSA-N 0 0 315.760 3.030 10 30 DGEERN C#CCCNC(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC000733617042 574632716 /nfs/dbraw/zinc/63/27/16/574632716.db2.gz IQNLVBGGLUXQRO-UHFFFAOYSA-N 0 0 308.381 3.431 10 30 DGEERN C#CCCNC(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000733629332 574632850 /nfs/dbraw/zinc/63/28/50/574632850.db2.gz NSOKEOGXEXMMMD-UHFFFAOYSA-N 0 0 312.398 3.081 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Oc1ccccc1F)c1ccccn1 ZINC000733691525 574633975 /nfs/dbraw/zinc/63/39/75/574633975.db2.gz VWCJKKZOKWZWNQ-GUYCJALGSA-N 0 0 313.328 3.296 10 30 DGEERN C=C(CSc1nc2sc(C)c(C)c2c(N)n1)C(=O)OCC ZINC000733870061 574641162 /nfs/dbraw/zinc/64/11/62/574641162.db2.gz VMAJVVDZPWGSDS-UHFFFAOYSA-N 0 0 323.443 3.102 10 30 DGEERN C#CC(C)(C)NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000733976808 574645458 /nfs/dbraw/zinc/64/54/58/574645458.db2.gz XLYHALPOHOSKQY-UHFFFAOYSA-N 0 0 301.333 3.326 10 30 DGEERN C=C(COC(=O)c1ccc(Cl)c2cccnc12)C(=O)OCC ZINC000734027764 574647431 /nfs/dbraw/zinc/64/74/31/574647431.db2.gz XTYJZBHBFCJNKT-UHFFFAOYSA-N 0 0 319.744 3.164 10 30 DGEERN C=C(COC(=O)/C=C(/C)c1ccccc1Cl)C(=O)OCC ZINC000734030431 574647887 /nfs/dbraw/zinc/64/78/87/574647887.db2.gz VHABNJMYDJCJLU-LUAWRHEFSA-N 0 0 308.761 3.406 10 30 DGEERN C=C(COC(=O)CSc1ccc(C)cc1C)C(=O)OCC ZINC000734022294 574648298 /nfs/dbraw/zinc/64/82/98/574648298.db2.gz CCRIMYSIICUNPO-UHFFFAOYSA-N 0 0 308.399 3.058 10 30 DGEERN C=C(COC(=O)C1(c2ccccc2F)CCCC1)C(=O)OCC ZINC000734025641 574648438 /nfs/dbraw/zinc/64/84/38/574648438.db2.gz YYNDRUXWRQKYMQ-UHFFFAOYSA-N 0 0 320.360 3.300 10 30 DGEERN C#CCOc1ccccc1CNC(=O)N1CCCCC[C@H]1C ZINC000734171906 574652808 /nfs/dbraw/zinc/65/28/08/574652808.db2.gz NTVPKYHZXNIKDY-OAHLLOKOSA-N 0 0 300.402 3.173 10 30 DGEERN C=CC[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccncc1 ZINC000734670075 574672773 /nfs/dbraw/zinc/67/27/73/574672773.db2.gz YNGNKYRFSJKEFH-QGZVFWFLSA-N 0 0 324.359 3.209 10 30 DGEERN CC(C)C[C@@H]1COCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735311830 574697115 /nfs/dbraw/zinc/69/71/15/574697115.db2.gz WKKUVJCPZUJDQT-MRXNPFEDSA-N 0 0 322.836 3.489 10 30 DGEERN Cc1ncsc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735345572 574699117 /nfs/dbraw/zinc/69/91/17/574699117.db2.gz XFEMNWGICBMZQY-UHFFFAOYSA-N 0 0 322.773 3.364 10 30 DGEERN C=CCCO[C@H](C)C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735346995 574699279 /nfs/dbraw/zinc/69/92/79/574699279.db2.gz FFDSYVFCDSBSLZ-GFCCVEGCSA-N 0 0 323.776 3.267 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000736577845 574759040 /nfs/dbraw/zinc/75/90/40/574759040.db2.gz OSQSLKOCGOTMEF-KBPBESRZSA-N 0 0 312.454 3.350 10 30 DGEERN C=C(COC(=O)C[C@@H](C)c1ccc(CC)cc1)C(=O)OCC ZINC000738686819 574878216 /nfs/dbraw/zinc/87/82/16/574878216.db2.gz YVRVXACYNVBRIN-CYBMUJFWSA-N 0 0 304.386 3.405 10 30 DGEERN C=C(COC(=O)C[C@H](C)c1ccc(CC)cc1)C(=O)OCC ZINC000738686820 574878334 /nfs/dbraw/zinc/87/83/34/574878334.db2.gz YVRVXACYNVBRIN-ZDUSSCGKSA-N 0 0 304.386 3.405 10 30 DGEERN C#CCN(CC#CC)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000742003071 574979212 /nfs/dbraw/zinc/97/92/12/574979212.db2.gz MPYQAEVBHJRRAR-UHFFFAOYSA-N 0 0 308.406 3.217 10 30 DGEERN C#CCOc1ccc(F)cc1NCC(=O)Nc1ccccc1F ZINC000742261406 574988351 /nfs/dbraw/zinc/98/83/51/574988351.db2.gz XLYQNCFZBFAYBJ-UHFFFAOYSA-N 0 0 316.307 3.027 10 30 DGEERN C(=NNCc1cccc2cccnc21)c1cnn2ccccc12 ZINC000729637209 575257707 /nfs/dbraw/zinc/25/77/07/575257707.db2.gz IKIBBVWDZMZLNB-UHFFFAOYSA-N 0 0 301.353 3.006 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCc1cccnc1 ZINC000729803956 575263468 /nfs/dbraw/zinc/26/34/68/575263468.db2.gz RWLSLVZXMOBSJQ-SFHVURJKSA-N 0 0 324.380 3.143 10 30 DGEERN C=CCOc1cccc(C=Nn2cnnc2-c2ccccc2)c1 ZINC000725855790 575933869 /nfs/dbraw/zinc/93/38/69/575933869.db2.gz GVMFDPFWGHBZBG-UHFFFAOYSA-N 0 0 304.353 3.392 10 30 DGEERN C#CCSCCNC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000740039814 576079418 /nfs/dbraw/zinc/07/94/18/576079418.db2.gz UWBVYQAMDLUEAZ-IRXDYDNUSA-N 0 0 316.470 3.378 10 30 DGEERN C#CCCOC(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000727042537 576097126 /nfs/dbraw/zinc/09/71/26/576097126.db2.gz IYDRHTGHPRDDBW-UHFFFAOYSA-N 0 0 314.410 3.148 10 30 DGEERN CC(N=Nc1ccc(Br)cn1)c1cccc(O)c1 ZINC000727266058 576116242 /nfs/dbraw/zinc/11/62/42/576116242.db2.gz IIIVXZOVWNAORE-UHFFFAOYSA-N 0 0 306.163 3.386 10 30 DGEERN C#Cc1cccc(NC(=S)N[C@H](C)c2nc(C)cs2)c1 ZINC000727659736 576137534 /nfs/dbraw/zinc/13/75/34/576137534.db2.gz RBDYZAXEWOSOLW-LLVKDONJSA-N 0 0 301.440 3.480 10 30 DGEERN C#Cc1ccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)nc1 ZINC000728805577 576206595 /nfs/dbraw/zinc/20/65/95/576206595.db2.gz CFEMZQXMGPBTHQ-LJQANCHMSA-N 0 0 314.344 3.404 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)nc1 ZINC000728809920 576207615 /nfs/dbraw/zinc/20/76/15/576207615.db2.gz BDUSTXQHGGBHPS-NSHDSACASA-N 0 0 300.308 3.174 10 30 DGEERN CCCCCCCCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154211706 620648108 /nfs/dbraw/zinc/64/81/08/620648108.db2.gz NEGSICFUUVNHPS-MRXNPFEDSA-N 0 0 320.481 3.256 10 30 DGEERN CC(C)(C)[C@@H](C#N)OC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000154577753 620688472 /nfs/dbraw/zinc/68/84/72/620688472.db2.gz WLGDVKFBQXIVIY-CYBMUJFWSA-N 0 0 319.311 3.246 10 30 DGEERN N#C[C@@H](COC(=O)C[C@@H]1CSCCS1)Cc1ccccc1 ZINC000155015505 620755605 /nfs/dbraw/zinc/75/56/05/620755605.db2.gz LEVXKHVXPQFJTG-LSDHHAIUSA-N 0 0 321.467 3.151 10 30 DGEERN CCCCCCCCCCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121652491 619052113 /nfs/dbraw/zinc/05/21/13/619052113.db2.gz LXKMCSIZZGBXJP-OAHLLOKOSA-N 0 0 317.495 3.163 10 30 DGEERN C#C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1Br)C1CC1 ZINC000152366528 620502810 /nfs/dbraw/zinc/50/28/10/620502810.db2.gz PJMSWIAXAYGLKW-ZWNOBZJWSA-N 0 0 323.186 3.171 10 30 DGEERN C#C[C@@H](OC(=O)CCCOc1ccc(OCC)cc1)C1CC1 ZINC000152379928 620503022 /nfs/dbraw/zinc/50/30/22/620503022.db2.gz OGLNVJGEUFKUOF-QGZVFWFLSA-N 0 0 302.370 3.199 10 30 DGEERN CCCCCCCCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114870042 621058111 /nfs/dbraw/zinc/05/81/11/621058111.db2.gz APYAWAIFURDZMS-OAHLLOKOSA-N 0 0 320.481 3.412 10 30 DGEERN C=CCc1ccccc1OC(=O)CCn1c(C)c(C)sc1=O ZINC000115902140 621157926 /nfs/dbraw/zinc/15/79/26/621157926.db2.gz LLEWILNZSYYOQK-UHFFFAOYSA-N 0 0 317.410 3.251 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2ccccc2OCCOCC)c1 ZINC000103030306 621224061 /nfs/dbraw/zinc/22/40/61/621224061.db2.gz CMGRJXHBRXCDLE-UHFFFAOYSA-N 0 0 323.392 3.360 10 30 DGEERN COc1cc(/C=C/C(=O)c2ccc(C)o2)cc2c1OCCO2 ZINC000024717834 625498064 /nfs/dbraw/zinc/49/80/64/625498064.db2.gz DYQLNZKDYZMUIT-SNAWJCMRSA-N 0 0 300.310 3.264 10 30 DGEERN C#CCN(C(=O)NCCc1cc(F)cc(F)c1)C1CCCC1 ZINC000119596087 621700288 /nfs/dbraw/zinc/70/02/88/621700288.db2.gz YSVSAIYWFDJUEB-UHFFFAOYSA-N 0 0 306.356 3.095 10 30 DGEERN C=C[C@H](CC(=O)OCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000122040501 622218593 /nfs/dbraw/zinc/21/85/93/622218593.db2.gz ASZSWKJJMYZLCF-CQSZACIVSA-N 0 0 319.401 3.414 10 30 DGEERN CCCC[C@@H](CC)COC(=O)CSc1cnc(C#N)cn1 ZINC000122204949 622259968 /nfs/dbraw/zinc/25/99/68/622259968.db2.gz VAAGUFFORIJMCA-GFCCVEGCSA-N 0 0 307.419 3.200 10 30 DGEERN O=C(/C=C/c1ccc(Br)c(F)c1)c1cnccn1 ZINC000122281401 622283735 /nfs/dbraw/zinc/28/37/35/622283735.db2.gz HOODXSCKBSMIFS-DUXPYHPUSA-N 0 0 307.122 3.274 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)CCc1ccnn1C ZINC000123095148 622463049 /nfs/dbraw/zinc/46/30/49/622463049.db2.gz BGEGVKPEIWROQO-UHFFFAOYSA-N 0 0 314.385 3.086 10 30 DGEERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C#N)cc1C ZINC000129386865 625606440 /nfs/dbraw/zinc/60/64/40/625606440.db2.gz VRWJVODZHKKTHW-UHFFFAOYSA-N 0 0 312.281 3.003 10 30 DGEERN C=CCc1ccc(OC(=O)c2cnn3c2CCCC3)c(OC)c1 ZINC000125596067 623492777 /nfs/dbraw/zinc/49/27/77/623492777.db2.gz FPEPQYJLEMACHT-UHFFFAOYSA-N 0 0 312.369 3.176 10 30 DGEERN CC(=O)N(C)c1cccc(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000126916317 624170997 /nfs/dbraw/zinc/17/09/97/624170997.db2.gz BBQWLUQVJHINJU-UHFFFAOYSA-N 0 0 307.353 3.102 10 30 DGEERN CCc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)oc1CC ZINC000128725201 625177117 /nfs/dbraw/zinc/17/71/17/625177117.db2.gz FDFCGWDOVDBCEJ-AWEZNQCLSA-N 0 0 310.353 3.366 10 30 DGEERN COc1ccc(C(C)=O)c(OC(=O)c2ccc(C#N)cc2C)c1 ZINC000129732199 625756518 /nfs/dbraw/zinc/75/65/18/625756518.db2.gz ZKWFVJHHOAKXSX-UHFFFAOYSA-N 0 0 309.321 3.297 10 30 DGEERN C[C@@H](OC(=O)c1ccn(-c2c(F)cccc2F)n1)C(C)(C)C#N ZINC000130744926 625897581 /nfs/dbraw/zinc/89/75/81/625897581.db2.gz MCYLIPGCPAQDQG-SNVBAGLBSA-N 0 0 319.311 3.246 10 30 DGEERN C=CCCOC(=O)CSc1nncn1-c1ccccc1CC ZINC000103650088 626409356 /nfs/dbraw/zinc/40/93/56/626409356.db2.gz WGZAITVHOHSUNV-UHFFFAOYSA-N 0 0 317.414 3.041 10 30 DGEERN C=C(Br)CN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000131473381 626641157 /nfs/dbraw/zinc/64/11/57/626641157.db2.gz ZTKMYXBFNKJPHV-SMDDNHRTSA-N 0 0 314.198 3.496 10 30 DGEERN C=CCNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000131631480 626660955 /nfs/dbraw/zinc/66/09/55/626660955.db2.gz MQTLCZLWPOQLKY-UONOGXRCSA-N 0 0 310.438 3.152 10 30 DGEERN C=CCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000132814292 626742985 /nfs/dbraw/zinc/74/29/85/626742985.db2.gz NYRODQPVQIGHJC-PMPSAXMXSA-N 0 0 315.417 3.124 10 30 DGEERN C#CCN(C(=O)NC[C@@H](C)Oc1ccccc1)C1CCCC1 ZINC000121451927 630145882 /nfs/dbraw/zinc/14/58/82/630145882.db2.gz FYFBYBHLMBASLZ-OAHLLOKOSA-N 0 0 300.402 3.041 10 30 DGEERN COc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(C#N)cc2OC)c1 ZINC000106596658 631345950 /nfs/dbraw/zinc/34/59/50/631345950.db2.gz NRRQSIRTUKORPN-JKSUJKDBSA-N 0 0 323.348 3.285 10 30 DGEERN C#CCOc1cccc(NC(=O)[C@H](CC)c2c(C)noc2C)c1 ZINC000108183405 631822197 /nfs/dbraw/zinc/82/21/97/631822197.db2.gz JLRMEZJPGSVDGV-MRXNPFEDSA-N 0 0 312.369 3.436 10 30 DGEERN C#CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000108185064 631823515 /nfs/dbraw/zinc/82/35/15/631823515.db2.gz MOXVLWHBAUBCIO-UHFFFAOYSA-N 0 0 316.338 3.229 10 30 DGEERN Cc1cccnc1/C=C/C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000185265954 660212404 /nfs/dbraw/zinc/21/24/04/660212404.db2.gz VFXNUTNTMJEAPK-ROJDOSBLSA-N 0 0 324.355 3.468 10 30 DGEERN C=CCn1c(C)nnc1SC[C@H](O)c1ccccc1Cl ZINC000076453847 660222043 /nfs/dbraw/zinc/22/20/43/660222043.db2.gz PNMUVOHWMQVBHI-ZDUSSCGKSA-N 0 0 309.822 3.252 10 30 DGEERN C#CCOc1ccc(CNc2cccc(N(C)C(C)=O)c2)cc1 ZINC000072927950 660230899 /nfs/dbraw/zinc/23/08/99/660230899.db2.gz BKFBTVNIXBDRIX-UHFFFAOYSA-N 0 0 308.381 3.293 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cn(C)nc1C ZINC000073087903 660239808 /nfs/dbraw/zinc/23/98/08/660239808.db2.gz PXCOGIMEVACPRE-UHFFFAOYSA-N 0 0 300.358 3.075 10 30 DGEERN C=CCOc1ccc(COC(=O)c2cc(C(C)=O)cn2C)cc1 ZINC000186191564 660336447 /nfs/dbraw/zinc/33/64/47/660336447.db2.gz LYOPHDHXAZLYEN-UHFFFAOYSA-N 0 0 313.353 3.150 10 30 DGEERN CCCOc1ccc(OCC(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000073971881 660578730 /nfs/dbraw/zinc/57/87/30/660578730.db2.gz SYWHRDGXEUUATE-INIZCTEOSA-N 0 0 310.353 3.126 10 30 DGEERN N#Cc1ccc(N2CCO[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000704765957 660818014 /nfs/dbraw/zinc/81/80/14/660818014.db2.gz OJIXMDQSXFIZOZ-JTQLQIEISA-N 0 0 304.699 3.369 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000709572753 660929475 /nfs/dbraw/zinc/92/94/75/660929475.db2.gz AYNMJAZQUKLROE-SNVBAGLBSA-N 0 0 310.166 3.074 10 30 DGEERN N#Cc1ccc(N2C[C@@H]3CSC[C@@H]3C2)c(Br)c1 ZINC000711523518 660956857 /nfs/dbraw/zinc/95/68/57/660956857.db2.gz BMWAXFNPOGJGJN-PHIMTYICSA-N 0 0 309.232 3.120 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000186948286 655539842 /nfs/dbraw/zinc/53/98/42/655539842.db2.gz HLQPMWVQMMJPRE-NVXWUHKLSA-N 0 0 318.417 3.273 10 30 DGEERN C=C[C@H](C)OC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000187520339 655550578 /nfs/dbraw/zinc/55/05/78/655550578.db2.gz QSHACXUTBBMDIK-VIFPVBQESA-N 0 0 311.263 3.017 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cccc(NC(=O)CC)c1 ZINC000187553992 655550975 /nfs/dbraw/zinc/55/09/75/655550975.db2.gz RINBDCNNEHHTBX-GOSISDBHSA-N 0 0 319.401 3.421 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000187588313 655552038 /nfs/dbraw/zinc/55/20/38/655552038.db2.gz VBNAVKCQFBKBBO-SJCJKPOMSA-N 0 0 302.374 3.396 10 30 DGEERN Cc1ccccc1C=NOCC(=O)Nc1cc(F)cc(F)c1 ZINC000255050087 655577465 /nfs/dbraw/zinc/57/74/65/655577465.db2.gz UUIWAFGLRJROBP-UHFFFAOYSA-N 0 0 304.296 3.262 10 30 DGEERN C/C(=C/C(=O)N[C@@H](C#N)C1CC1)c1ccccc1OC(F)F ZINC000255114478 655601266 /nfs/dbraw/zinc/60/12/66/655601266.db2.gz OTFHMBICRUMQKU-KJJQSCHISA-N 0 0 306.312 3.110 10 30 DGEERN C=C(Br)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000068933877 655666821 /nfs/dbraw/zinc/66/68/21/655666821.db2.gz LEGZVBBMHQITTC-RKDXNWHRSA-N 0 0 314.145 3.380 10 30 DGEERN C=C[C@@H](C)OC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000187618736 655697380 /nfs/dbraw/zinc/69/73/80/655697380.db2.gz OYEUMQFIEKUAFA-CYBMUJFWSA-N 0 0 317.414 3.094 10 30 DGEERN COC(=O)Cc1ccccc1N=Cc1cc2ccccc2[nH]c1=O ZINC000255362089 655708307 /nfs/dbraw/zinc/70/83/07/655708307.db2.gz CVHANJCSMILXJT-UHFFFAOYSA-N 0 0 320.348 3.407 10 30 DGEERN CC[C@@H](Nc1ncc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000723857620 655726067 /nfs/dbraw/zinc/72/60/67/655726067.db2.gz JLLRCBVSEUZVGT-GXFFZTMASA-N 0 0 324.222 3.333 10 30 DGEERN C#CCNC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091007311 655733810 /nfs/dbraw/zinc/73/38/10/655733810.db2.gz OMZKROSPWYWWDT-UHFFFAOYSA-N 0 0 310.319 3.228 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(C#N)cc1F ZINC000158280948 655776535 /nfs/dbraw/zinc/77/65/35/655776535.db2.gz GDUWHJBZDMRLGD-UHFFFAOYSA-N 0 0 300.245 3.133 10 30 DGEERN C[C@H](ON=CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000255560898 655800639 /nfs/dbraw/zinc/80/06/39/655800639.db2.gz OSAJHBDKQZARRW-LBPRGKRZSA-N 0 0 313.313 3.297 10 30 DGEERN C#CCOc1cccc(COC(=O)c2nc(C)sc2C)c1 ZINC000178745589 655802172 /nfs/dbraw/zinc/80/21/72/655802172.db2.gz JNOHWPRFRAJDEA-UHFFFAOYSA-N 0 0 301.367 3.129 10 30 DGEERN CCOc1cccc(/C=N\CCCc2c(C)nn(C)c2C)c1O ZINC000255588338 655850765 /nfs/dbraw/zinc/85/07/65/655850765.db2.gz MVCNVNYWWLRDGG-UNOMPAQXSA-N 0 0 315.417 3.193 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)cc1F ZINC000255603396 655863182 /nfs/dbraw/zinc/86/31/82/655863182.db2.gz MNHVQJGELIUNHC-FPLPWBNLSA-N 0 0 321.304 3.216 10 30 DGEERN C#CCN(C(=O)Nc1ccc2oc(=O)ccc2c1)C1CCCC1 ZINC000177043756 655890399 /nfs/dbraw/zinc/89/03/99/655890399.db2.gz QTZLDIITEXXATC-UHFFFAOYSA-N 0 0 310.353 3.203 10 30 DGEERN C#CC[C@H](OC(=O)c1cnc(-c2ccncc2)s1)C(C)C ZINC000179465974 655893306 /nfs/dbraw/zinc/89/33/06/655893306.db2.gz WZAATCNRYLZNTE-ZDUSSCGKSA-N 0 0 300.383 3.410 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1c(C)nc(SC)nc1C)C(C)C ZINC000177719918 655943316 /nfs/dbraw/zinc/94/33/16/655943316.db2.gz MRZDOVBGQBKHRU-OAHLLOKOSA-N 0 0 320.458 3.339 10 30 DGEERN C#CC[C@H](OC(=O)CCN(Cc1ccccc1)C(C)=O)C(C)C ZINC000177732364 655943653 /nfs/dbraw/zinc/94/36/53/655943653.db2.gz VFXYHPQCJVXYEL-SFHVURJKSA-N 0 0 315.413 3.016 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1nc(C(C)(C)C)no1)C(C)C ZINC000177734524 655943819 /nfs/dbraw/zinc/94/38/19/655943819.db2.gz OTWFHTRPFRZJKU-CYBMUJFWSA-N 0 0 306.406 3.281 10 30 DGEERN C#CC[C@@H](OC(=O)C[C@H](C)NC(=O)C1CCCCC1)C(C)C ZINC000177741392 655944460 /nfs/dbraw/zinc/94/44/60/655944460.db2.gz APJBMZBJXXKGTM-GOEBONIOSA-N 0 0 307.434 3.053 10 30 DGEERN CC[C@@H](NC(=O)C#Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177780368 655946276 /nfs/dbraw/zinc/94/62/76/655946276.db2.gz KUVROMBIQNEHMX-QGZVFWFLSA-N 0 0 308.337 3.214 10 30 DGEERN C=CCCCC(=O)OCCOc1cncc(Br)c1 ZINC000177954067 655950889 /nfs/dbraw/zinc/95/08/89/655950889.db2.gz OIUMRWPUPYSSLW-UHFFFAOYSA-N 0 0 314.179 3.122 10 30 DGEERN C#CCCCCC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000180211460 655959631 /nfs/dbraw/zinc/95/96/31/655959631.db2.gz RVTXQQUZCGPZPY-UHFFFAOYSA-N 0 0 318.486 3.148 10 30 DGEERN [O-]C(N[C@@H]1CCc2ccccc2C1)=[NH+][C@@H]1COc2ccccc21 ZINC000328713916 656077107 /nfs/dbraw/zinc/07/71/07/656077107.db2.gz CEDLWBYODZPZIW-NVXWUHKLSA-N 0 0 308.381 3.181 10 30 DGEERN COc1ccc(C(=O)CCC(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000183087259 656110564 /nfs/dbraw/zinc/11/05/64/656110564.db2.gz GIYZAUYVEXWAAQ-GFCCVEGCSA-N 0 0 303.358 3.140 10 30 DGEERN C[C@H](CC(=O)OCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000183946742 656115890 /nfs/dbraw/zinc/11/58/90/656115890.db2.gz MYLIKKUAESQMKE-GFCCVEGCSA-N 0 0 323.339 3.322 10 30 DGEERN CC(C)(CC#N)COC(=O)c1ncccc1OCC(F)(F)F ZINC000184791791 656121209 /nfs/dbraw/zinc/12/12/09/656121209.db2.gz FJNZINJHSWSXPD-UHFFFAOYSA-N 0 0 316.279 3.119 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000188045715 656143362 /nfs/dbraw/zinc/14/33/62/656143362.db2.gz OGVQHNUHMJMQRV-CQSZACIVSA-N 0 0 303.358 3.284 10 30 DGEERN C#CC[C@H](COC)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000716841955 661229672 /nfs/dbraw/zinc/22/96/72/661229672.db2.gz HNTYETRABAWICK-SNVBAGLBSA-N 0 0 301.173 3.153 10 30 DGEERN COCc1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)o1 ZINC000123777573 656183186 /nfs/dbraw/zinc/18/31/86/656183186.db2.gz ZDYDJWUWAUCKCH-ZDUSSCGKSA-N 0 0 317.316 3.104 10 30 DGEERN CC(=O)N[C@H](CC(=O)OCC(C)(C)CCC#N)c1ccccc1 ZINC000195076536 656208906 /nfs/dbraw/zinc/20/89/06/656208906.db2.gz CTOOKTVXLXXNPA-MRXNPFEDSA-N 0 0 316.401 3.127 10 30 DGEERN C#Cc1cccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000025961637 656221184 /nfs/dbraw/zinc/22/11/84/656221184.db2.gz DYEIRKGNOFYFNQ-UHFFFAOYSA-N 0 0 305.312 3.449 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000299986140 656231064 /nfs/dbraw/zinc/23/10/64/656231064.db2.gz LMPYSHSFIAPEMV-XQLPTFJDSA-N 0 0 307.438 3.104 10 30 DGEERN CCCCCCCC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162852115 656422541 /nfs/dbraw/zinc/42/25/41/656422541.db2.gz USWDSOLRANCVLE-UHFFFAOYSA-N 0 0 314.433 3.491 10 30 DGEERN C=CCc1cc(C(=O)O[C@@H](C)COCC)cc(OC)c1OC ZINC000190760269 656571820 /nfs/dbraw/zinc/57/18/20/656571820.db2.gz WVQROFAONSDPHN-LBPRGKRZSA-N 0 0 308.374 3.014 10 30 DGEERN C=CCCN(Cc1nnc(C2CC2)n1C)OCc1ccccc1 ZINC000187386353 661286779 /nfs/dbraw/zinc/28/67/79/661286779.db2.gz QXRWRMJUIZPJSL-UHFFFAOYSA-N 0 0 312.417 3.202 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178587605 656938086 /nfs/dbraw/zinc/93/80/86/656938086.db2.gz JABNLGKYCNCQSK-UHFFFAOYSA-N 0 0 319.408 3.397 10 30 DGEERN Cc1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)c(C)s1 ZINC000159914766 657327932 /nfs/dbraw/zinc/32/79/32/657327932.db2.gz AHOLIHLYTMHIBG-JTQLQIEISA-N 0 0 316.382 3.142 10 30 DGEERN C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)s1 ZINC000057033148 657361541 /nfs/dbraw/zinc/36/15/41/657361541.db2.gz KPGQGKNHOVQMLG-UHFFFAOYSA-N 0 0 314.410 3.154 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1ccc(OC)cc1OC ZINC000191137411 657370554 /nfs/dbraw/zinc/37/05/54/657370554.db2.gz HVTQGOVSJRSGSK-QGZVFWFLSA-N 0 0 308.374 3.089 10 30 DGEERN C#CC[C@@H](OC(=O)CCCOc1ccc(C(C)=O)cc1)C1CC1 ZINC000183041422 657376084 /nfs/dbraw/zinc/37/60/84/657376084.db2.gz PFNOYDGASAASCW-GOSISDBHSA-N 0 0 314.381 3.393 10 30 DGEERN C=CCOc1ccc(COC(=O)c2c(C)noc2CC)cc1 ZINC000183571166 657380406 /nfs/dbraw/zinc/38/04/06/657380406.db2.gz ZFYWCGUZYJGCMF-UHFFFAOYSA-N 0 0 301.342 3.467 10 30 DGEERN C=C(Br)CNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000049287027 657380897 /nfs/dbraw/zinc/38/08/97/657380897.db2.gz MLAZALDFDZYUEG-MRVPVSSYSA-N 0 0 319.149 3.234 10 30 DGEERN C=C(COc1ccc(C(=O)c2ccccc2)cc1)C(=O)OCC ZINC000320451822 657542858 /nfs/dbraw/zinc/54/28/58/657542858.db2.gz NUCLALPNQSEAKT-UHFFFAOYSA-N 0 0 310.349 3.416 10 30 DGEERN COc1cccc2c1OC/C(=C\c1csc([N+](=O)[O-])c1)C2=O ZINC000098125452 657912281 /nfs/dbraw/zinc/91/22/81/657912281.db2.gz GCKOLOJMSOUBFE-BJMVGYQFSA-N 0 0 317.322 3.324 10 30 DGEERN C#CCCCCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000189553607 658140761 /nfs/dbraw/zinc/14/07/61/658140761.db2.gz UTOGYVNNIDNODN-LBPRGKRZSA-N 0 0 304.356 3.410 10 30 DGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000067800971 658745759 /nfs/dbraw/zinc/74/57/59/658745759.db2.gz DYFVVGZSYRYCNV-QWHCGFSZSA-N 0 0 306.358 3.043 10 30 DGEERN C[C@@H](O)c1nc2ccccc2n1CCOc1cccc(C#N)c1 ZINC000192834530 658750162 /nfs/dbraw/zinc/75/01/62/658750162.db2.gz IDKHCENSTCWHRS-CYBMUJFWSA-N 0 0 307.353 3.040 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000055206822 658919278 /nfs/dbraw/zinc/91/92/78/658919278.db2.gz BSMPFNHLWPETDC-AWEZNQCLSA-N 0 0 310.438 3.058 10 30 DGEERN Oc1ccc(/C=N/[C@H]2CCCc3cc(F)ccc32)c(O)c1O ZINC000156747839 658940732 /nfs/dbraw/zinc/94/07/32/658940732.db2.gz KKSCBXAETLVYHM-FRSZACSASA-N 0 0 301.317 3.439 10 30 DGEERN COc1ccccc1[C@@H](O)C/N=C/c1cc(Cl)ccc1O ZINC000032070519 658952248 /nfs/dbraw/zinc/95/22/48/658952248.db2.gz YLBDAQKDUZYKBY-UPAIAECRSA-N 0 0 305.761 3.207 10 30 DGEERN COc1ccc2ncc(C#N)c(NCc3nc(C)cs3)c2c1 ZINC000223144821 658966250 /nfs/dbraw/zinc/96/62/50/658966250.db2.gz WCGBRXVQDIPNFI-UHFFFAOYSA-N 0 0 310.382 3.492 10 30 DGEERN C[C@H](OC(=O)c1ccccc1OCC#N)c1nc2ccccc2[nH]1 ZINC000171335267 659273700 /nfs/dbraw/zinc/27/37/00/659273700.db2.gz MAMSXCGEHDEVFC-LBPRGKRZSA-N 0 0 321.336 3.383 10 30 DGEERN N#Cc1ccc2ncc(/C=C3/C(=O)Nc4cc(Cl)ccc43)n2c1 ZINC000172521640 659341865 /nfs/dbraw/zinc/34/18/65/659341865.db2.gz FBILRCNXGGDHBK-MKMNVTDBSA-N 0 0 320.739 3.352 10 30 DGEERN C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000172722254 659351702 /nfs/dbraw/zinc/35/17/02/659351702.db2.gz VBFIXRZTTCTSRD-DLBZAZTESA-N 0 0 319.360 3.181 10 30 DGEERN C#CCOc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)cc1 ZINC000172965386 659368110 /nfs/dbraw/zinc/36/81/10/659368110.db2.gz OJDILKIRMWKBRH-INIZCTEOSA-N 0 0 323.392 3.034 10 30 DGEERN C=CCCCN(C)C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000173614949 659393980 /nfs/dbraw/zinc/39/39/80/659393980.db2.gz MBBHZSCFGOCTHI-CQSZACIVSA-N 0 0 310.438 3.201 10 30 DGEERN C[C@@H](C/N=C/c1ccc(O)c(O)c1O)c1ccc(F)cc1F ZINC000173992106 659407912 /nfs/dbraw/zinc/40/79/12/659407912.db2.gz ORJBKJLLGFUJCY-VFKKPVCESA-N 0 0 307.296 3.304 10 30 DGEERN C#C[C@@H](C)OC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000174442708 659435660 /nfs/dbraw/zinc/43/56/60/659435660.db2.gz YZTQSGAXXDMWEN-LLVKDONJSA-N 0 0 307.187 3.436 10 30 DGEERN CCC(C)(C)COC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000174869516 659895594 /nfs/dbraw/zinc/89/55/94/659895594.db2.gz WAEIIXMBFOADED-UHFFFAOYSA-N 0 0 305.422 3.326 10 30 DGEERN C#CC[C@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 ZINC000175333163 659918909 /nfs/dbraw/zinc/91/89/09/659918909.db2.gz AMYWZZRMUOXRIF-ZDUSSCGKSA-N 0 0 309.406 3.025 10 30 DGEERN C#Cc1cccc(NC(=O)c2sc([C@H](C)OC)nc2C)c1 ZINC000175453451 659921151 /nfs/dbraw/zinc/92/11/51/659921151.db2.gz AZLATIVMIWEPIB-NSHDSACASA-N 0 0 300.383 3.393 10 30 DGEERN Cc1ncsc1CCOC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179924580 659947094 /nfs/dbraw/zinc/94/70/94/659947094.db2.gz NTRZYFOUPJJFEK-UHFFFAOYSA-N 0 0 312.394 3.406 10 30 DGEERN N#C[C@H](COC(=O)Cc1cc(F)ccc1F)Cc1cccs1 ZINC000180070967 659951717 /nfs/dbraw/zinc/95/17/17/659951717.db2.gz JMOCHRCSYLWBAV-LLVKDONJSA-N 0 0 321.348 3.494 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccn1 ZINC000068596736 659958585 /nfs/dbraw/zinc/95/85/85/659958585.db2.gz LVAXQMXNYYXDGB-MRXNPFEDSA-N 0 0 310.309 3.220 10 30 DGEERN C=CCc1ccc(OC(=O)c2cnn(CCC)c2)c(OC)c1 ZINC000180544911 659965071 /nfs/dbraw/zinc/96/50/71/659965071.db2.gz RUJSOPFSQFVVIT-UHFFFAOYSA-N 0 0 300.358 3.249 10 30 DGEERN C#CCCCCC(=O)OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000180754421 659970489 /nfs/dbraw/zinc/97/04/89/659970489.db2.gz FCVOXGGDPMSHFV-HNNXBMFYSA-N 0 0 323.433 3.370 10 30 DGEERN C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc2cnccc21 ZINC000180935311 659975649 /nfs/dbraw/zinc/97/56/49/659975649.db2.gz OKBVGIFLGPJBCA-IBGZPJMESA-N 0 0 313.360 3.435 10 30 DGEERN C=C[C@@H](CC)OC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000181224603 659987713 /nfs/dbraw/zinc/98/77/13/659987713.db2.gz VFXLRXYBAVMZQQ-YJBOKZPZSA-N 0 0 301.386 3.189 10 30 DGEERN C=C[C@H](CC)OC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000181246889 659989451 /nfs/dbraw/zinc/98/94/51/659989451.db2.gz QGOJXWFIAWIOSJ-CQSZACIVSA-N 0 0 307.415 3.175 10 30 DGEERN COCc1ccsc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000181786603 660020221 /nfs/dbraw/zinc/02/02/21/660020221.db2.gz APLDGUYKOQYCHJ-CQSZACIVSA-N 0 0 315.394 3.434 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000182006964 660030503 /nfs/dbraw/zinc/03/05/03/660030503.db2.gz NPHBBEGUJQADIY-ASVHUPRUSA-N 0 0 304.415 3.049 10 30 DGEERN CCc1cnccc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000183556353 660124283 /nfs/dbraw/zinc/12/42/83/660124283.db2.gz JULAUEWUMZRLNX-AWEZNQCLSA-N 0 0 312.344 3.322 10 30 DGEERN COc1ccc(/C=C/C(=O)OCC2(C#N)CCCC2)cc1OC ZINC000183869754 660144662 /nfs/dbraw/zinc/14/46/62/660144662.db2.gz MIWZVPZVRHFNDL-SOFGYWHQSA-N 0 0 315.369 3.344 10 30 DGEERN CCCN(C)c1ccc(C(=O)OCC2(C#N)CCOCC2)cc1 ZINC000183950011 660148852 /nfs/dbraw/zinc/14/88/52/660148852.db2.gz ZVXHKVGSVFGDFF-UHFFFAOYSA-N 0 0 316.401 3.010 10 30 DGEERN CC[C@@H](CC(=O)OCC1(C#N)CCOCC1)c1ccccc1 ZINC000183997209 660151784 /nfs/dbraw/zinc/15/17/84/660151784.db2.gz AXNFCUJRJZTWDH-HNNXBMFYSA-N 0 0 301.386 3.434 10 30 DGEERN N#CCSCC(=O)OCCCc1cnc2ccsc2c1 ZINC000184664319 660180064 /nfs/dbraw/zinc/18/00/64/660180064.db2.gz BPEVWDWTHRPCDO-UHFFFAOYSA-N 0 0 306.412 3.029 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1cn(C(C)(C)C)nc1C ZINC000187497668 661716608 /nfs/dbraw/zinc/71/66/08/661716608.db2.gz FLIMYMCYBBTQMH-KRWDZBQOSA-N 0 0 308.422 3.332 10 30 DGEERN N#Cc1ccc(C(=O)Oc2cc(F)ccc2Br)nc1 ZINC000155369069 661845849 /nfs/dbraw/zinc/84/58/49/661845849.db2.gz BEUQGAQMDQQCJS-UHFFFAOYSA-N 0 0 321.105 3.074 10 30 DGEERN C#CC[C@H](OC(=O)CCCc1ccc(OC)cc1OC)C1CC1 ZINC000155658588 661850679 /nfs/dbraw/zinc/85/06/79/661850679.db2.gz WOSOBRYYAYEBET-KRWDZBQOSA-N 0 0 316.397 3.372 10 30 DGEERN C=CCC[C@H](OC(=O)Cn1ccc(=O)c2ccccc21)C1CC1 ZINC000159473648 661889012 /nfs/dbraw/zinc/88/90/12/661889012.db2.gz KBWLLXVEIHLQTM-SFHVURJKSA-N 0 0 311.381 3.290 10 30 DGEERN C=CCC[C@H](OC(=O)c1ccc(CNC(C)=O)cc1)C1CC1 ZINC000159642054 661892523 /nfs/dbraw/zinc/89/25/23/661892523.db2.gz VPCNAFSXUIEAJL-KRWDZBQOSA-N 0 0 301.386 3.224 10 30 DGEERN C#CCOc1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000159882821 661897439 /nfs/dbraw/zinc/89/74/39/661897439.db2.gz MLRROCIZRUGYRO-UHFFFAOYSA-N 0 0 314.772 3.019 10 30 DGEERN CC[C@@H](CC#N)OC(=O)CCCCOc1cccc(C#N)c1 ZINC000187894055 661906744 /nfs/dbraw/zinc/90/67/44/661906744.db2.gz PWNUWKWVLUQRBE-HNNXBMFYSA-N 0 0 300.358 3.343 10 30 DGEERN CC[C@H](CC#N)OC(=O)CCCc1ccc(OC)cc1OC ZINC000187978220 661909941 /nfs/dbraw/zinc/90/99/41/661909941.db2.gz BXKYYPINNXTGKQ-CQSZACIVSA-N 0 0 305.374 3.262 10 30 DGEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1SCC ZINC000188056011 661912877 /nfs/dbraw/zinc/91/28/77/661912877.db2.gz PNAQJBGOQBZKPK-GDBMZVCRSA-N 0 0 318.442 3.494 10 30 DGEERN O[C@@H](c1nccn1CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000188194452 661920586 /nfs/dbraw/zinc/92/05/86/661920586.db2.gz YHRUMBAYSXLUHY-GOSISDBHSA-N 0 0 306.340 3.156 10 30 DGEERN C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000188300112 661924661 /nfs/dbraw/zinc/92/46/61/661924661.db2.gz ZJXZDWDFCHUZRY-LSDHHAIUSA-N 0 0 322.449 3.084 10 30 DGEERN C=CC[C@@H](OC(=O)CCOC1CCOCC1)c1ccccc1 ZINC000189223612 661969184 /nfs/dbraw/zinc/96/91/84/661969184.db2.gz GJTWFQCXFMYBOD-QGZVFWFLSA-N 0 0 304.386 3.433 10 30 DGEERN C#Cc1cccc(N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)c1 ZINC000189244049 661970656 /nfs/dbraw/zinc/97/06/56/661970656.db2.gz VYQCYEQRBASNMG-UHFFFAOYSA-N 0 0 304.349 3.434 10 30 DGEERN Cc1ccc(-n2cccn2)cc1NC(=O)C#Cc1ccccc1 ZINC000189811127 661992319 /nfs/dbraw/zinc/99/23/19/661992319.db2.gz AAMCQSSJORLCJT-UHFFFAOYSA-N 0 0 301.349 3.171 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)Cc1cc(F)ccc1OC ZINC000191121950 662054662 /nfs/dbraw/zinc/05/46/62/662054662.db2.gz MFBOUFQILCXWPV-KRWDZBQOSA-N 0 0 310.365 3.149 10 30 DGEERN C=CCOc1ccc(C(=O)O[C@@H]2CCC[C@@H](OC)C2)cc1OC ZINC000078232410 662056149 /nfs/dbraw/zinc/05/61/49/662056149.db2.gz JLPBAEUKXMWNTG-HUUCEWRRSA-N 0 0 320.385 3.374 10 30 DGEERN C=C[C@](C)(CC)C(=O)Oc1ccc(/C=C\C(=O)OC)cc1OC ZINC000191821989 662081549 /nfs/dbraw/zinc/08/15/49/662081549.db2.gz VWUIXPQQEUIBOR-LECLMCCNSA-N 0 0 318.369 3.389 10 30 DGEERN COc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2)cc1C#N ZINC000078755086 662083517 /nfs/dbraw/zinc/08/35/17/662083517.db2.gz RWINDNJYIHKGMB-HNNXBMFYSA-N 0 0 313.744 3.074 10 30 DGEERN CNC(=O)c1ccc(/C=C2\CCOc3ccc(C)cc3C2=O)cc1 ZINC000078890395 662088559 /nfs/dbraw/zinc/08/85/59/662088559.db2.gz HVNIKVSYZSLTJI-FOWTUZBSSA-N 0 0 321.376 3.403 10 30 DGEERN C=CCC1(C(=O)OC[C@H]2CC(=O)N(c3ccccc3)C2)CCC1 ZINC000192235719 662092785 /nfs/dbraw/zinc/09/27/85/662092785.db2.gz IXMKMFORUOUJPN-HNNXBMFYSA-N 0 0 313.397 3.329 10 30 DGEERN CC(=O)CC(C)(C)CC(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000192434292 662098115 /nfs/dbraw/zinc/09/81/15/662098115.db2.gz XLEFNRFESVSBKJ-INIZCTEOSA-N 0 0 301.386 3.307 10 30 DGEERN C#Cc1cccc(NC(=O)CNc2ncnc3c(C)csc32)c1 ZINC000192513470 662101598 /nfs/dbraw/zinc/10/15/98/662101598.db2.gz QKDHAEXUSLWVPU-UHFFFAOYSA-N 0 0 322.393 3.032 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079205184 662103644 /nfs/dbraw/zinc/10/36/44/662103644.db2.gz HTOHLJPGVXLNCB-IAQYHMDHSA-N 0 0 319.382 3.421 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1nc(C(C)(C)C)no1)C1CC1 ZINC000079207164 662103692 /nfs/dbraw/zinc/10/36/92/662103692.db2.gz PETHRKAMSMMULC-CYBMUJFWSA-N 0 0 304.390 3.035 10 30 DGEERN CC(C)(C)OC(=O)CCC(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000192700294 662108663 /nfs/dbraw/zinc/10/86/63/662108663.db2.gz NYYWQGDULUMGAE-OAHLLOKOSA-N 0 0 317.385 3.034 10 30 DGEERN COC(=O)c1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000192972599 662118683 /nfs/dbraw/zinc/11/86/83/662118683.db2.gz ORTVVLWWTDDYRH-UDWIEESQSA-N 0 0 320.348 3.346 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000193033367 662121230 /nfs/dbraw/zinc/12/12/30/662121230.db2.gz LTUQDRUYXYSWCF-GFCCVEGCSA-N 0 0 317.364 3.285 10 30 DGEERN COC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000193102937 662122771 /nfs/dbraw/zinc/12/27/71/662122771.db2.gz QKIVKPYYFWDJRO-UHFFFAOYSA-N 0 0 323.352 3.009 10 30 DGEERN O=C(CCOCC(F)(F)F)Oc1c(F)c(F)cc(F)c1F ZINC000193349510 662131313 /nfs/dbraw/zinc/13/13/13/662131313.db2.gz PDDUFVGOTVWCPG-UHFFFAOYSA-N 0 0 320.160 3.117 10 30 DGEERN C=CCCCOC(=O)c1ccc(CSc2nccn2C)o1 ZINC000080325768 662136717 /nfs/dbraw/zinc/13/67/17/662136717.db2.gz SWOSXZPEVXZOEQ-UHFFFAOYSA-N 0 0 306.387 3.428 10 30 DGEERN CC(C)[C@H](C#N)OC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000080382636 662138695 /nfs/dbraw/zinc/13/86/95/662138695.db2.gz QUWXJFXNWXSCKQ-LBPRGKRZSA-N 0 0 301.264 3.219 10 30 DGEERN C=C(C)C[C@H](C)C(=O)OCCc1cn(-c2ccc(F)cc2)nn1 ZINC000193901112 662152625 /nfs/dbraw/zinc/15/26/25/662152625.db2.gz LKFIQQGYBPCNLA-ZDUSSCGKSA-N 0 0 317.364 3.094 10 30 DGEERN N#CCSCC(=O)OCCCc1nc2ccccc2s1 ZINC000194258940 662161841 /nfs/dbraw/zinc/16/18/41/662161841.db2.gz XAONFTSBBUWMHO-UHFFFAOYSA-N 0 0 306.412 3.029 10 30 DGEERN CCCOCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000194535969 662168207 /nfs/dbraw/zinc/16/82/07/662168207.db2.gz AHWLWXLCYVUXSL-JTQLQIEISA-N 0 0 307.300 3.034 10 30 DGEERN CCC1CC(=O)C(=CN[C@@H](C)c2ccc(F)cc2F)C(=O)C1 ZINC000194963844 662176138 /nfs/dbraw/zinc/17/61/38/662176138.db2.gz COUICYFVKGLFHP-VUWPPUDQSA-N 0 0 307.340 3.458 10 30 DGEERN CC(C)CC(=O)N[C@@H](C(=O)OCC(C)(C)CCC#N)C(C)C ZINC000195068583 662177368 /nfs/dbraw/zinc/17/73/68/662177368.db2.gz WJKKBKIZBHBANL-OAHLLOKOSA-N 0 0 310.438 3.046 10 30 DGEERN CC(C)(CCC#N)COC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000195057970 662177385 /nfs/dbraw/zinc/17/73/85/662177385.db2.gz IUUAJVXEXJCKBC-UHFFFAOYSA-N 0 0 311.385 3.288 10 30 DGEERN C=CCN1C(=O)/C(=C/c2c(F)cc(C#N)cc2F)SC1=S ZINC000195221552 662180589 /nfs/dbraw/zinc/18/05/89/662180589.db2.gz HLCAEVXSWPVIPZ-SDQBBNPISA-N 0 0 322.361 3.224 10 30 DGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cc(C#N)cn1C ZINC000083763923 662196206 /nfs/dbraw/zinc/19/62/06/662196206.db2.gz TVPPIUWHONPNRY-UHFFFAOYSA-N 0 0 310.353 3.243 10 30 DGEERN C[C@@H](OC(=O)c1cc(C#N)cn1C)c1cnc2ccccc2c1 ZINC000083766136 662196349 /nfs/dbraw/zinc/19/63/49/662196349.db2.gz GMKGQURYURARDO-GFCCVEGCSA-N 0 0 305.337 3.363 10 30 DGEERN CCCCO[C@@H]1C[C@@H](OC(=O)c2cc(C#N)cn2C)C1(C)C ZINC000083780581 662196642 /nfs/dbraw/zinc/19/66/42/662196642.db2.gz FXXFIAKRTXOJBT-HUUCEWRRSA-N 0 0 304.390 3.037 10 30 DGEERN CCO[C@@H]1C[C@@H](OC(=O)c2cc(C#N)cn2C)C1(CC)CC ZINC000083780680 662196651 /nfs/dbraw/zinc/19/66/51/662196651.db2.gz OVHVKYXVOBBKJK-HUUCEWRRSA-N 0 0 304.390 3.037 10 30 DGEERN CC(C)NC(=O)c1ccccc1NC(=O)c1cc(C#N)cs1 ZINC000084077778 662199100 /nfs/dbraw/zinc/19/91/00/662199100.db2.gz HBKSCZZAVZMXBY-UHFFFAOYSA-N 0 0 313.382 3.010 10 30 DGEERN C#CC[C@H](OC(=O)Cc1ccc(F)cc1F)c1ccccn1 ZINC000088809759 662235381 /nfs/dbraw/zinc/23/53/81/662235381.db2.gz KHRHDHWNUWIGQY-INIZCTEOSA-N 0 0 301.292 3.210 10 30 DGEERN C#CC[C@H](OC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000088818293 662235827 /nfs/dbraw/zinc/23/58/27/662235827.db2.gz WWNMDDZNIIMAKQ-INIZCTEOSA-N 0 0 306.308 3.273 10 30 DGEERN C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)C1CCOCC1 ZINC000089293174 662240896 /nfs/dbraw/zinc/24/08/96/662240896.db2.gz KTETZRLTEQFDBM-CHWSQXEVSA-N 0 0 307.415 3.036 10 30 DGEERN C[C@@H]1CC[C@H](CCC(=O)OC[C@H](C#N)Cc2cccs2)O1 ZINC000089295116 662241055 /nfs/dbraw/zinc/24/10/55/662241055.db2.gz PFCUQBXVNNSMBR-HZSPNIEDSA-N 0 0 307.415 3.321 10 30 DGEERN Cc1cccc(OCC(=O)OC[C@@H](C#N)Cc2cccs2)c1 ZINC000089301443 662241226 /nfs/dbraw/zinc/24/12/26/662241226.db2.gz ZDGXDABOPBZXDS-CQSZACIVSA-N 0 0 315.394 3.361 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000089317780 662241711 /nfs/dbraw/zinc/24/17/11/662241711.db2.gz CYWLXMJVEYFCFV-ZDUSSCGKSA-N 0 0 307.365 3.234 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000089312420 662241907 /nfs/dbraw/zinc/24/19/07/662241907.db2.gz DRJUKCLDLZBUNL-CQSZACIVSA-N 0 0 301.386 3.321 10 30 DGEERN C=CCC[C@H](C)OC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000089317236 662241917 /nfs/dbraw/zinc/24/19/17/662241917.db2.gz IYABXKLCKSAJMH-KBPBESRZSA-N 0 0 317.385 3.089 10 30 DGEERN C=CCC[C@@H](C)OC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000089319941 662241941 /nfs/dbraw/zinc/24/19/41/662241941.db2.gz GPMDVPCIPCGAMK-MRVPVSSYSA-N 0 0 324.370 3.256 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000089321047 662242167 /nfs/dbraw/zinc/24/21/67/662242167.db2.gz KAGGLKRCEONOHO-CYBMUJFWSA-N 0 0 318.369 3.319 10 30 DGEERN C=CCC[C@@H](C)OC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000089320445 662242178 /nfs/dbraw/zinc/24/21/78/662242178.db2.gz JDSPZMLZGQHMDF-DYVFJYSZSA-N 0 0 319.401 3.160 10 30 DGEERN C#CCOc1cccc(COC(=O)c2scnc2C2CC2)c1 ZINC000089969893 662251295 /nfs/dbraw/zinc/25/12/95/662251295.db2.gz PWJWTUJPBMORKH-UHFFFAOYSA-N 0 0 313.378 3.390 10 30 DGEERN C#CCOc1ccccc1OC(=O)c1cccc(OC)c1F ZINC000090559718 662266839 /nfs/dbraw/zinc/26/68/39/662266839.db2.gz SLGUQMTVNAPAEN-UHFFFAOYSA-N 0 0 300.285 3.066 10 30 DGEERN C#CCOc1ccccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000093768492 662359742 /nfs/dbraw/zinc/35/97/42/662359742.db2.gz RKBSXKWOEGRTCV-SFHVURJKSA-N 0 0 313.422 3.334 10 30 DGEERN C#CCOc1ccccc1CNc1ccc(N2CCOCC2)cc1 ZINC000391811299 685212893 /nfs/dbraw/zinc/21/28/93/685212893.db2.gz ZNENMMUBHYVSNZ-UHFFFAOYSA-N 0 0 322.408 3.147 10 30 DGEERN COc1cccc(NC(=O)[C@@H](C#N)C(=O)C(C)=CC(C)(C)C)c1 ZINC000588507727 1176510702 /nfs/dbraw/zinc/51/07/02/1176510702.db2.gz GBNMMPAYWNVQDR-WQTVUKCASA-N 0 0 314.385 3.335 10 30 DGEERN C[C@@H]1CCC[C@]1(O)CNc1cc(Br)ccc1C#N ZINC000328078952 1176637142 /nfs/dbraw/zinc/63/71/42/1176637142.db2.gz GGJHYDNFDGKPTO-YGRLFVJLSA-N 0 0 309.207 3.284 10 30 DGEERN C[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCO[C@H]3C3CC3)sc2C1 ZINC000328883699 1176752205 /nfs/dbraw/zinc/75/22/05/1176752205.db2.gz MHYGNVYFMPHKCV-IUPBHXKESA-N 0 0 321.446 3.161 10 30 DGEERN C=CCN(CCOC)c1cc(Br)c(C#N)cc1F ZINC000384934286 1177144032 /nfs/dbraw/zinc/14/40/32/1177144032.db2.gz AZGIGVQNXKJYPL-UHFFFAOYSA-N 0 0 313.170 3.099 10 30 DGEERN CC(C)CCCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168725090 1177578750 /nfs/dbraw/zinc/57/87/50/1177578750.db2.gz NRKMNTUNPPLOSQ-UHFFFAOYSA-N 0 0 314.838 3.316 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000500621650 1197698621 /nfs/dbraw/zinc/69/86/21/1197698621.db2.gz RTPOYXWWQHHFKA-FCEWJHQRSA-N 0 0 315.413 3.004 10 30 DGEERN CO[C@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@H]1C ZINC000300296704 1199351286 /nfs/dbraw/zinc/35/12/86/1199351286.db2.gz ZGDBZIAJPNXVES-YGRLFVJLSA-N 0 0 309.207 3.182 10 30 DGEERN C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1 ZINC000302149771 1199479762 /nfs/dbraw/zinc/47/97/62/1199479762.db2.gz SWZQZFCTSUVQND-AWEZNQCLSA-N 0 0 319.405 3.049 10 30 DGEERN CN(Cc1ccns1)c1ccc(C#N)c(Br)c1 ZINC000404483246 1199563775 /nfs/dbraw/zinc/56/37/75/1199563775.db2.gz IGKWSRYRFVXWHH-UHFFFAOYSA-N 0 0 308.204 3.414 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000316533832 1199815330 /nfs/dbraw/zinc/81/53/30/1199815330.db2.gz IJILBRYCNYJQSM-GFCCVEGCSA-N 0 0 310.825 3.089 10 30 DGEERN C=CCCCCCCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000320491314 1199848266 /nfs/dbraw/zinc/84/82/66/1199848266.db2.gz IIIXSDDLRRRAJM-UHFFFAOYSA-N 0 0 307.350 3.325 10 30 DGEERN C=CCc1cc(CNc2ccn(CC(F)F)n2)cc(OC)c1O ZINC000133806995 1201196421 /nfs/dbraw/zinc/19/64/21/1201196421.db2.gz YGKGQGJOQNKODS-UHFFFAOYSA-N 0 0 323.343 3.203 10 30 DGEERN N#Cc1ccc(NC[C@H]2CCCCO2)c(F)c1Br ZINC000231845412 1202600324 /nfs/dbraw/zinc/60/03/24/1202600324.db2.gz AYMKYZPECLKPHI-SNVBAGLBSA-N 0 0 313.170 3.441 10 30 DGEERN C#CCN(C(=O)c1cncc(-c2ccccc2)c1)c1nccs1 ZINC000150726096 1202590604 /nfs/dbraw/zinc/59/06/04/1202590604.db2.gz JMXZUDLPLXEVPJ-UHFFFAOYSA-N 0 0 319.389 3.485 10 30 DGEERN C#CCN(C(=O)c1ccc2nc(C)ccc2c1)c1nccs1 ZINC000151477178 1202592454 /nfs/dbraw/zinc/59/24/54/1202592454.db2.gz MTJWOPCSYLLCBC-UHFFFAOYSA-N 0 0 307.378 3.280 10 30 DGEERN C#CCN(C(=O)CCCc1ccc(F)c(F)c1)c1nccs1 ZINC000154574074 1202597584 /nfs/dbraw/zinc/59/75/84/1202597584.db2.gz NJFISEFTHGRMCG-UHFFFAOYSA-N 0 0 320.364 3.410 10 30 DGEERN C[C@@H](Cn1ccnc1)Nc1ccc(C#N)c(Br)c1F ZINC000231844888 1202600314 /nfs/dbraw/zinc/60/03/14/1202600314.db2.gz COXLWZHGUQUXNV-VIFPVBQESA-N 0 0 323.169 3.157 10 30 DGEERN C[C@H](Cn1ccnc1)Nc1ccc(C#N)c(Br)c1F ZINC000231844890 1202600327 /nfs/dbraw/zinc/60/03/27/1202600327.db2.gz COXLWZHGUQUXNV-SECBINFHSA-N 0 0 323.169 3.157 10 30 DGEERN N#Cc1ccc(NC2(CO)CCCC2)c(F)c1Br ZINC000231863800 1202600366 /nfs/dbraw/zinc/60/03/66/1202600366.db2.gz JQKRBNJMEOIAMS-UHFFFAOYSA-N 0 0 313.170 3.177 10 30 DGEERN C#CCCCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000156306335 1202600445 /nfs/dbraw/zinc/60/04/45/1202600445.db2.gz FBWYGCSCXIUJLN-UHFFFAOYSA-N 0 0 308.381 3.194 10 30 DGEERN Cn1ccnc1Sc1ccc(C#N)c(Br)c1F ZINC000231861603 1202600459 /nfs/dbraw/zinc/60/04/59/1202600459.db2.gz ZOHBQWTXASMGRX-UHFFFAOYSA-N 0 0 312.167 3.345 10 30 DGEERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(Br)ccc1C#N ZINC000233842932 1202603092 /nfs/dbraw/zinc/60/30/92/1202603092.db2.gz DMBFEXPGEIKKCY-NXEZZACHSA-N 0 0 324.222 3.036 10 30 DGEERN CN(CC1(O)CCCC1)c1cc(Br)ccc1C#N ZINC000161604465 1202693959 /nfs/dbraw/zinc/69/39/59/1202693959.db2.gz PBAASOIKJHQEJM-UHFFFAOYSA-N 0 0 309.207 3.062 10 30 DGEERN C=CCc1cc(CNc2ccc(OC)nc2)cc(OC)c1O ZINC000162826009 1203501518 /nfs/dbraw/zinc/50/15/18/1203501518.db2.gz TZJUHBPVLAAWES-UHFFFAOYSA-N 0 0 300.358 3.145 10 30 DGEERN COc1ccc(/C(C)=C/C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000175502248 1203920274 /nfs/dbraw/zinc/92/02/74/1203920274.db2.gz FTRCACBXZYHWSI-SDNWHVSQSA-N 0 0 306.365 3.287 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(C)cc1 ZINC000588401924 1082143232 /nfs/dbraw/zinc/14/32/32/1082143232.db2.gz LHNJDWAJJXPURD-KSVUCXBSSA-N 0 0 312.413 3.414 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(C)(C)C#N ZINC000588447909 1082318118 /nfs/dbraw/zinc/31/81/18/1082318118.db2.gz IICYECIZRMDCBI-UCQJPZFISA-N 0 0 302.330 3.480 10 30 DGEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC000588470114 1082402973 /nfs/dbraw/zinc/40/29/73/1082402973.db2.gz XXPRGVNVNZPHHH-CFRMROPGSA-N 0 0 302.330 3.480 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(C=NOC)cc1 ZINC000588552071 1082617289 /nfs/dbraw/zinc/61/72/89/1082617289.db2.gz KSWGARCMEPOSKG-KRWDZBQOSA-N 0 0 305.374 3.053 10 30 DGEERN CO[C@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)C1 ZINC000708968081 1083247516 /nfs/dbraw/zinc/24/75/16/1083247516.db2.gz XFKJMTNWKYONAN-WAAGHKOSSA-N 0 0 313.170 3.297 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@H](C#N)C2)sc1Br ZINC000094535086 1090583342 /nfs/dbraw/zinc/58/33/42/1090583342.db2.gz XDVYEJWOSVQFLB-SECBINFHSA-N 0 0 313.220 3.195 10 30 DGEERN N#CCSc1cccc(C(=O)NCCSC(F)(F)F)c1 ZINC000175644496 1093579497 /nfs/dbraw/zinc/57/94/97/1093579497.db2.gz LNTRYOGNGMMQAB-UHFFFAOYSA-N 0 0 320.361 3.285 10 30 DGEERN N#Cc1cc(Br)cnc1NC[C@H]1CC2CCC1CC2 ZINC000400098094 1093868677 /nfs/dbraw/zinc/86/86/77/1093868677.db2.gz FFNZOALLUHBTCP-GCZXYKMCSA-N 0 0 320.234 3.376 10 30 DGEERN C[C@@H]1COCC[C@@H]1Nc1ccc(C#N)c(Br)c1F ZINC000306026732 1094050573 /nfs/dbraw/zinc/05/05/73/1094050573.db2.gz ULNDPNJIGQEGSI-SCZZXKLOSA-N 0 0 313.170 3.297 10 30 DGEERN C#CCN(CC1CC1)c1cc(Br)c(C#N)cc1F ZINC000310699420 1094938399 /nfs/dbraw/zinc/93/83/99/1094938399.db2.gz VXPMXGBKIJLZTQ-UHFFFAOYSA-N 0 0 307.166 3.309 10 30 DGEERN C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@H]1CCOC1 ZINC000231848593 1095807886 /nfs/dbraw/zinc/80/78/86/1095807886.db2.gz SIZQEQQREMOUKN-SCZZXKLOSA-N 0 0 313.170 3.297 10 30 DGEERN C=CCC1(O)CN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000720881756 1096110606 /nfs/dbraw/zinc/11/06/06/1096110606.db2.gz TYRBAOYOUQSODI-UHFFFAOYSA-N 0 0 307.802 3.318 10 30 DGEERN C=CCN(CC(=O)NC(C)(C)C)Cc1ccc(Cl)s1 ZINC000061758823 432002005 /nfs/dbraw/zinc/00/20/05/432002005.db2.gz YTYCPKHONTTZGH-UHFFFAOYSA-N 0 0 300.855 3.304 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC000278369896 214123244 /nfs/dbraw/zinc/12/32/44/214123244.db2.gz PGWQMSQIYAVDGO-IAGOWNOFSA-N 0 0 323.396 3.372 10 30 DGEERN C=C[C@](C)(O)CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000278749971 214374155 /nfs/dbraw/zinc/37/41/55/214374155.db2.gz FGOJWNMCCDSLEP-LIRRHRJNSA-N 0 0 310.397 3.253 10 30 DGEERN CC[C@@H]1C[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)CCO1 ZINC000181339117 529434646 /nfs/dbraw/zinc/43/46/46/529434646.db2.gz JHQJOKNCPXFFEB-JMSVASOKSA-N 0 0 306.793 3.226 10 30 DGEERN CC[C@@H](CC#N)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000183791461 529447395 /nfs/dbraw/zinc/44/73/95/529447395.db2.gz HZWLPPIHHQAMFC-VIFPVBQESA-N 0 0 320.190 3.352 10 30 DGEERN CC[C@@H](CC(=O)Nc1cc(C#N)ccn1)c1ccc(OC)cc1 ZINC000435993391 529451581 /nfs/dbraw/zinc/45/15/81/529451581.db2.gz JGGIPIYOWZCYKK-AWEZNQCLSA-N 0 0 309.369 3.484 10 30 DGEERN CC[C@@](C)(C#N)C(=O)N1CCc2c1cccc2Br ZINC000421659905 529488463 /nfs/dbraw/zinc/48/84/63/529488463.db2.gz ZBNUABUJULYJSD-AWEZNQCLSA-N 0 0 307.191 3.278 10 30 DGEERN COc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1C#N 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DGEERN C[C@@H](NS(=O)(=O)CCCCC#N)c1cccc(Cl)c1 ZINC000104107157 432014286 /nfs/dbraw/zinc/01/42/86/432014286.db2.gz XIRCBJMCUUNMKO-LLVKDONJSA-N 0 0 300.811 3.014 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115360740 185679599 /nfs/dbraw/zinc/67/95/99/185679599.db2.gz GEQXBOKXPIKJCU-ACJLOTCBSA-N 0 0 306.365 3.275 10 30 DGEERN N#Cc1ncccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000130158254 432017229 /nfs/dbraw/zinc/01/72/29/432017229.db2.gz LGDQOMNLSGYRMK-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN COCCN(Cc1ccc(C)o1)C(=O)c1ccc(C#N)cc1C ZINC000130210261 432017729 /nfs/dbraw/zinc/01/77/29/432017729.db2.gz SLHBZNBRGKDEJS-UHFFFAOYSA-N 0 0 312.369 3.057 10 30 DGEERN C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000070549229 190905689 /nfs/dbraw/zinc/90/56/89/190905689.db2.gz CQLHBRPSJGBGRH-KBPBESRZSA-N 0 0 306.431 3.053 10 30 DGEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccc(Br)cc1 ZINC000071177992 190938209 /nfs/dbraw/zinc/93/82/09/190938209.db2.gz NRBAVQJMGYKKLI-SECBINFHSA-N 0 0 303.163 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C[C@H]1Oc2ccc(NC(=O)[C@]3(C)CCCNC3=O)cc2NC1=O ZINC000330219083 291246679 /nfs/dbraw/zinc/24/66/79/291246679.db2.gz JWWYBPNOVDKVRR-JDNHERCYSA-N 0 0 317.345 3.400 10 30 DGEERN Cc1cc(OCC(=O)Nc2cc(C#N)ccn2)ccc1C(C)C ZINC000435992757 238380180 /nfs/dbraw/zinc/38/01/80/238380180.db2.gz IALWBTUFJGJPTA-UHFFFAOYSA-N 0 0 309.369 3.403 10 30 DGEERN N#Cc1ccnc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000436009544 238382969 /nfs/dbraw/zinc/38/29/69/238382969.db2.gz VFVVUXSNNPJJQF-UHFFFAOYSA-N 0 0 310.744 3.269 10 30 DGEERN N#Cc1ccnc(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000436014308 238383806 /nfs/dbraw/zinc/38/38/06/238383806.db2.gz FDBOXHGPCNRPNH-QWRGUYRKSA-N 0 0 317.270 3.113 10 30 DGEERN N#Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)ccn1 ZINC000193163426 201001403 /nfs/dbraw/zinc/00/14/03/201001403.db2.gz NIBBDIHVPSOUQZ-KRWDZBQOSA-N 0 0 309.344 3.364 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193310267 201026971 /nfs/dbraw/zinc/02/69/71/201026971.db2.gz 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/nfs/dbraw/zinc/10/26/61/432102661.db2.gz ZLVOYDCTOJQZPN-QGZVFWFLSA-N 0 0 314.410 3.202 10 30 DGEERN C=CCCCC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189915959 432103931 /nfs/dbraw/zinc/10/39/31/432103931.db2.gz SBIOCJVJKREBHB-MRXNPFEDSA-N 0 0 314.429 3.190 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000275447809 212340360 /nfs/dbraw/zinc/34/03/60/212340360.db2.gz HZJBYUKXLUXVGU-YJBOKZPZSA-N 0 0 303.402 3.082 10 30 DGEERN C=C(C)COc1cc(CNCc2cnc(CC)o2)ccc1OC ZINC000449609774 240317329 /nfs/dbraw/zinc/31/73/29/240317329.db2.gz OGLYTZLSVJQRNN-UHFFFAOYSA-N 0 0 316.401 3.490 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000092008044 193141017 /nfs/dbraw/zinc/14/10/17/193141017.db2.gz FVTKWTDQRNJVKE-ZDUSSCGKSA-N 0 0 324.355 3.050 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000451359737 241093252 /nfs/dbraw/zinc/09/32/52/241093252.db2.gz JGZSRDKQYYGIQY-HIFRSBDPSA-N 0 0 311.360 3.102 10 30 DGEERN Cn1c(C#N)ccc1C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000451383226 241102783 /nfs/dbraw/zinc/10/27/83/241102783.db2.gz KAWXUYNFZILZBQ-CHWSQXEVSA-N 0 0 311.360 3.102 10 30 DGEERN C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000451248907 241060183 /nfs/dbraw/zinc/06/01/83/241060183.db2.gz YROOMPZFSGZDCQ-GFCCVEGCSA-N 0 0 324.421 3.086 10 30 DGEERN CC(C)(C)CCC1(O)CC(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000451446285 241126497 /nfs/dbraw/zinc/12/64/97/241126497.db2.gz OZAVYVUPVIZULK-UHFFFAOYSA-N 0 0 320.477 3.400 10 30 DGEERN C=CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451720502 241215883 /nfs/dbraw/zinc/21/58/83/241215883.db2.gz MVESVDATLLEYOB-RYUDHWBXSA-N 0 0 313.385 3.383 10 30 DGEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451828723 241247774 /nfs/dbraw/zinc/24/77/74/241247774.db2.gz BLNFSKCDGHDTPZ-WBVHZDCISA-N 0 0 314.429 3.396 10 30 DGEERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C#N)cn1C ZINC000081549073 283919885 /nfs/dbraw/zinc/91/98/85/283919885.db2.gz GBAZZTYCQIDVPZ-KRWDZBQOSA-N 0 0 309.413 3.299 10 30 DGEERN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(COC)o1 ZINC000081731654 283925458 /nfs/dbraw/zinc/92/54/58/283925458.db2.gz MTDHZQULCBNEKE-UHFFFAOYSA-N 0 0 313.357 3.372 10 30 DGEERN C=CCn1c(N2C[C@@H]3CCCC[C@H]3C2)nnc1[C@@]1(C)CCCO1 ZINC000453436114 241785383 /nfs/dbraw/zinc/78/53/83/241785383.db2.gz HJESZENYYQLPTJ-RLFYNMQTSA-N 0 0 316.449 3.116 10 30 DGEERN C=CCC1(CNC(=O)NCC[C@H](OC)C(F)(F)F)CCCC1 ZINC000454828524 242042787 /nfs/dbraw/zinc/04/27/87/242042787.db2.gz OEYTULIKRPMQFR-LBPRGKRZSA-N 0 0 322.371 3.390 10 30 DGEERN C=CCC[C@@H](NC(=O)NCC1=CCOCC1)c1ccccc1 ZINC000454696897 242013281 /nfs/dbraw/zinc/01/32/81/242013281.db2.gz ROTVXRJGPYEWNL-QGZVFWFLSA-N 0 0 300.402 3.340 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)NCC1=CCOCC1 ZINC000455227369 242138712 /nfs/dbraw/zinc/13/87/12/242138712.db2.gz NRJPIKGQYKXWRA-UHFFFAOYSA-N 0 0 300.402 3.121 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)NC(COC)COC ZINC000455240194 242143431 /nfs/dbraw/zinc/14/34/31/242143431.db2.gz DCKLCPZKPRAPEW-UHFFFAOYSA-N 0 0 320.433 3.321 10 30 DGEERN C=CCC1(CNC(=O)NCCc2ncccc2C)CCCC1 ZINC000455373255 242182825 /nfs/dbraw/zinc/18/28/25/242182825.db2.gz AWLYAWZZWPUWGR-UHFFFAOYSA-N 0 0 301.434 3.368 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H](C)Cc1cnn(C)c1 ZINC000455373185 242183283 /nfs/dbraw/zinc/18/32/83/242183283.db2.gz ANATYFXZXAPHDD-CQSZACIVSA-N 0 0 312.417 3.291 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000455380314 242184084 /nfs/dbraw/zinc/18/40/84/242184084.db2.gz HXSLRXDENSTDOD-INIZCTEOSA-N 0 0 310.344 3.039 10 30 DGEERN C=C(CC)CNC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000455523635 242224571 /nfs/dbraw/zinc/22/45/71/242224571.db2.gz ORJALRJDTSJEFM-INIZCTEOSA-N 0 0 306.381 3.183 10 30 DGEERN CCC[C@H](C)NC(=O)[C@@H](C)SCc1ccc(OC)c(C#N)c1 ZINC000135348891 432113294 /nfs/dbraw/zinc/11/32/94/432113294.db2.gz ZTLJZGLSUDGFLN-QWHCGFSZSA-N 0 0 320.458 3.493 10 30 DGEERN COc1ccc(CSCC(=O)N2CCC(C)CC2)cc1C#N ZINC000135340151 432113953 /nfs/dbraw/zinc/11/39/53/432113953.db2.gz VITWRODISBOWKL-UHFFFAOYSA-N 0 0 318.442 3.059 10 30 DGEERN C=CCC[C@H](CO)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000456757144 242546319 /nfs/dbraw/zinc/54/63/19/242546319.db2.gz AEOYFIRHILJWGC-SECBINFHSA-N 0 0 306.164 3.189 10 30 DGEERN Cn1c(C#N)ccc1C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000457991883 242931347 /nfs/dbraw/zinc/93/13/47/242931347.db2.gz JKXNVZISEKYVPU-NVXWUHKLSA-N 0 0 307.397 3.066 10 30 DGEERN C=C(C)CCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000458229375 243000686 /nfs/dbraw/zinc/00/06/86/243000686.db2.gz CRGMFPZSZUPJCX-UHFFFAOYSA-N 0 0 317.364 3.289 10 30 DGEERN C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)c1 ZINC000190048105 432117201 /nfs/dbraw/zinc/11/72/01/432117201.db2.gz YMUYMBRIHCMDOH-BBRMVZONSA-N 0 0 304.390 3.140 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000458736394 243143325 /nfs/dbraw/zinc/14/33/25/243143325.db2.gz OEDRZLHPWNCYFU-WBMJQRKESA-N 0 0 320.820 3.346 10 30 DGEERN C=CCC[C@H](CO)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458833490 243172555 /nfs/dbraw/zinc/17/25/55/243172555.db2.gz IXKQZNWQNRJOCO-IAGOWNOFSA-N 0 0 315.417 3.048 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC(=C)C ZINC000458995029 243222252 /nfs/dbraw/zinc/22/22/52/243222252.db2.gz GTKUQEAUCHPZOR-UHFFFAOYSA-N 0 0 303.362 3.259 10 30 DGEERN C=CCC1(NC(=O)NCC2(CF)CCOCC2)CCCCC1 ZINC000459028315 243230859 /nfs/dbraw/zinc/23/08/59/243230859.db2.gz PNPAMLJHSIQUEK-UHFFFAOYSA-N 0 0 312.429 3.331 10 30 DGEERN C=CCN(Cc1ccccc1F)C(=O)NCc1cnc(CC)o1 ZINC000459043289 243234245 /nfs/dbraw/zinc/23/42/45/243234245.db2.gz BCNMULJNLMJDKN-UHFFFAOYSA-N 0 0 317.364 3.274 10 30 DGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000464987275 243810522 /nfs/dbraw/zinc/81/05/22/243810522.db2.gz TZIBOIYLEAYTEC-JKIFEVAISA-N 0 0 300.402 3.076 10 30 DGEERN C=C[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000464756690 243788982 /nfs/dbraw/zinc/78/89/82/243788982.db2.gz ZYQUILNCVGGTKF-CQSZACIVSA-N 0 0 300.402 3.174 10 30 DGEERN C=CCCCCNC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000472847530 244317602 /nfs/dbraw/zinc/31/76/02/244317602.db2.gz DYBBYPRQZLBLMU-WMLDXEAASA-N 0 0 302.418 3.376 10 30 DGEERN C=CCNC(=S)NC(=O)c1ccccc1OCCCCCC ZINC000007660090 181484047 /nfs/dbraw/zinc/48/40/47/181484047.db2.gz VDAFWABBLGNOQC-UHFFFAOYSA-N 0 0 320.458 3.436 10 30 DGEERN CCO[C@H](C)c1nc(CN(C)Cc2ccc(C#N)o2)cs1 ZINC000093737338 193297929 /nfs/dbraw/zinc/29/79/29/193297929.db2.gz AWOZBSUAWBRWFW-LLVKDONJSA-N 0 0 305.403 3.337 10 30 DGEERN CCO[C@@H](C)c1nc(CN(C)Cc2ccc(C#N)o2)cs1 ZINC000093737337 193298919 /nfs/dbraw/zinc/29/89/19/193298919.db2.gz AWOZBSUAWBRWFW-NSHDSACASA-N 0 0 305.403 3.337 10 30 DGEERN N#Cc1ccc(CNC(=O)c2c[nH]c3cc(F)ccc32)c(F)c1 ZINC000181241555 432120949 /nfs/dbraw/zinc/12/09/49/432120949.db2.gz MYUZQPDVMKUSGW-UHFFFAOYSA-N 0 0 311.291 3.248 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N(C)CCN(C)c1ccccc1 ZINC000121736024 284204582 /nfs/dbraw/zinc/20/45/82/284204582.db2.gz XPLRYOQXXMHASB-UHFFFAOYSA-N 0 0 307.397 3.075 10 30 DGEERN C=CC[C@@H](C)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000487701198 245094800 /nfs/dbraw/zinc/09/48/00/245094800.db2.gz DNRGKOIYIKMDAT-CQSZACIVSA-N 0 0 303.402 3.077 10 30 DGEERN C/C(=C/c1ccccc1)CN1CCN(c2ncccc2C#N)CC1 ZINC000122942754 284229370 /nfs/dbraw/zinc/22/93/70/284229370.db2.gz GEYWVKQQHQVGTJ-VKAVYKQESA-N 0 0 318.424 3.179 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000488493036 245201468 /nfs/dbraw/zinc/20/14/68/245201468.db2.gz GADZHRQUGGSPDD-HNNXBMFYSA-N 0 0 301.390 3.242 10 30 DGEERN CC(=O)N(C)c1ccccc1NC(=O)c1ccc(C#N)cc1C ZINC000124089583 284252609 /nfs/dbraw/zinc/25/26/09/284252609.db2.gz QSHCYBXOXCGPAI-UHFFFAOYSA-N 0 0 307.353 3.102 10 30 DGEERN CO[C@@H](CNC(=O)c1ccc(C#N)cc1C)c1ccc(F)cc1 ZINC000126796368 284316832 /nfs/dbraw/zinc/31/68/32/284316832.db2.gz ROIXIGNVHQLIKK-KRWDZBQOSA-N 0 0 312.344 3.123 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](C(=O)OCC)c1ccccc1 ZINC000274651259 211794778 /nfs/dbraw/zinc/79/47/78/211794778.db2.gz VANVTNHMWULJBA-HOCLYGCPSA-N 0 0 303.402 3.052 10 30 DGEERN ON=C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000019513331 182126655 /nfs/dbraw/zinc/12/66/55/182126655.db2.gz WNUWBCVMOMWQSN-UHFFFAOYSA-N 0 0 301.159 3.014 10 30 DGEERN N/C(=N\O)c1cccc(OCc2ccccc2Br)c1 ZINC000019475321 182124427 /nfs/dbraw/zinc/12/44/27/182124427.db2.gz KZYLHBLLOZPKDB-UHFFFAOYSA-N 0 0 321.174 3.123 10 30 DGEERN C[C@H](Nc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000019921742 182164237 /nfs/dbraw/zinc/16/42/37/182164237.db2.gz TXLQKNYOYRRODU-LBPRGKRZSA-N 0 0 300.383 3.135 10 30 DGEERN N#Cc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000022601467 182327347 /nfs/dbraw/zinc/32/73/47/182327347.db2.gz NECLMSACCOOUJS-UHFFFAOYSA-N 0 0 301.349 3.238 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCCOC1CCCCC1 ZINC000159870683 197369703 /nfs/dbraw/zinc/36/97/03/197369703.db2.gz FCRMQXAZVWOXBM-UHFFFAOYSA-N 0 0 300.402 3.336 10 30 DGEERN C=CCCCN(C)C(=O)c1cn2ccc(Br)cc2n1 ZINC000286309946 335034617 /nfs/dbraw/zinc/03/46/17/335034617.db2.gz DWJHFBGKGKCACU-UHFFFAOYSA-N 0 0 322.206 3.135 10 30 DGEERN CC(N=Nc1nncc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000035595613 182781693 /nfs/dbraw/zinc/78/16/93/182781693.db2.gz JPAZUNOCEZAQCL-NDENLUEZSA-N 0 0 320.352 3.237 10 30 DGEERN C#CCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000040280397 183050353 /nfs/dbraw/zinc/05/03/53/183050353.db2.gz QNNCVOVBSZPMRJ-UHFFFAOYSA-N 0 0 323.783 3.253 10 30 DGEERN CC(C)c1cccc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)c1 ZINC000190379395 432149658 /nfs/dbraw/zinc/14/96/58/432149658.db2.gz KWJKFKLTPYXEIL-MRXNPFEDSA-N 0 0 306.431 3.123 10 30 DGEERN CC(C)c1cccc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)c1 ZINC000190379370 432150115 /nfs/dbraw/zinc/15/01/15/432150115.db2.gz KWJKFKLTPYXEIL-INIZCTEOSA-N 0 0 306.431 3.123 10 30 DGEERN CCc1nccn1[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000105897967 194162278 /nfs/dbraw/zinc/16/22/78/194162278.db2.gz QJOULDPTNRPTRB-KRWDZBQOSA-N 0 0 312.392 3.293 10 30 DGEERN CCOc1ccc(CNC(=O)c2sccc2C#N)cc1F ZINC000105984425 194176788 /nfs/dbraw/zinc/17/67/88/194176788.db2.gz CSLTWAICEWHGPT-UHFFFAOYSA-N 0 0 304.346 3.088 10 30 DGEERN C=CCCO[C@H](C)c1nc(-c2ccc(NC(C)=O)cc2)no1 ZINC000273650241 210948814 /nfs/dbraw/zinc/94/88/14/210948814.db2.gz CMEFDJPSBSTAJI-LLVKDONJSA-N 0 0 301.346 3.349 10 30 DGEERN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C#N)cn2)cc1 ZINC000110288848 194320091 /nfs/dbraw/zinc/32/00/91/194320091.db2.gz UBEYNZGAPIVQGV-UHFFFAOYSA-N 0 0 309.369 3.268 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000110370586 194326534 /nfs/dbraw/zinc/32/65/34/194326534.db2.gz BGCMGTBBYKRWSV-WMLDXEAASA-N 0 0 320.392 3.172 10 30 DGEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1Br ZINC000061892125 184192874 /nfs/dbraw/zinc/19/28/74/184192874.db2.gz VYZMJHFZOTZLJO-AAEUAGOBSA-N 0 0 309.207 3.240 10 30 DGEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1Br ZINC000061892122 184192992 /nfs/dbraw/zinc/19/29/92/184192992.db2.gz VYZMJHFZOTZLJO-DGCLKSJQSA-N 0 0 309.207 3.240 10 30 DGEERN CC(C)(O)C#Cc1cccc(-c2n[nH]c(Cc3ccccc3)n2)c1 ZINC000065508044 184356531 /nfs/dbraw/zinc/35/65/31/184356531.db2.gz IJAQUGNZFIXVEN-UHFFFAOYSA-N 0 0 317.392 3.185 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000066179625 184395555 /nfs/dbraw/zinc/39/55/55/184395555.db2.gz JVMWEXPSXDBMQQ-RHSMWYFYSA-N 0 0 315.417 3.046 10 30 DGEERN COc1cc(OC(=O)[C@@H]2Oc3ccccc3[C@H]2C)ccc1C#N ZINC000195159505 207647500 /nfs/dbraw/zinc/64/75/00/207647500.db2.gz DVIMMHXZBXERFG-PIGZYNQJSA-N 0 0 309.321 3.037 10 30 DGEERN CC[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000177780880 252723677 /nfs/dbraw/zinc/72/36/77/252723677.db2.gz AAABQUZQBQUNJU-MRXNPFEDSA-N 0 0 309.325 3.348 10 30 DGEERN CC[C@H](NC(=O)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177800839 252724776 /nfs/dbraw/zinc/72/47/76/252724776.db2.gz WWAPRPOIMKUOLV-KRWDZBQOSA-N 0 0 323.352 3.276 10 30 DGEERN CO[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@@H]1C ZINC000249007251 285045385 /nfs/dbraw/zinc/04/53/85/285045385.db2.gz JEOOTPBIUNTGOG-XHDPSFHLSA-N 0 0 323.234 3.178 10 30 DGEERN C=C(C)[C@@H](CC(=O)N(CCC)CCc1ccccn1)OCC ZINC000270105591 208163626 /nfs/dbraw/zinc/16/36/26/208163626.db2.gz RJZKAEICVMROEE-QGZVFWFLSA-N 0 0 304.434 3.234 10 30 DGEERN C=C(C)[C@H](CC(=O)N1CCO[C@@H](c2cccs2)C1)OCC ZINC000270255776 208320016 /nfs/dbraw/zinc/32/00/16/208320016.db2.gz SECYABFXSZDMQZ-UONOGXRCSA-N 0 0 309.431 3.019 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCO[C@@H](c2cccs2)C1)OCC ZINC000270255778 208320614 /nfs/dbraw/zinc/32/06/14/208320614.db2.gz SECYABFXSZDMQZ-ZIAGYGMSSA-N 0 0 309.431 3.019 10 30 DGEERN C=CCn1c(S[C@@H]2CCC[C@H]2OC)nnc1-c1ccncc1 ZINC000273080601 210459767 /nfs/dbraw/zinc/45/97/67/210459767.db2.gz GTAWSVVCBRDMNV-ZIAGYGMSSA-N 0 0 316.430 3.186 10 30 DGEERN C=CCn1c(S[C@H]2CCC[C@H]2OC)nnc1-c1ccncc1 ZINC000273080597 210458364 /nfs/dbraw/zinc/45/83/64/210458364.db2.gz GTAWSVVCBRDMNV-KGLIPLIRSA-N 0 0 316.430 3.186 10 30 DGEERN N#Cc1ccc(OCCNC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000255669238 285172500 /nfs/dbraw/zinc/17/25/00/285172500.db2.gz ZFAJPGZGLNCZKP-RQOWECAXSA-N 0 0 324.355 3.296 10 30 DGEERN N#Cc1ccc(F)cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000157405402 197185780 /nfs/dbraw/zinc/18/57/80/197185780.db2.gz IFONHBBKHFEATI-OAHLLOKOSA-N 0 0 302.374 3.332 10 30 DGEERN N#Cc1cc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)ccc1F ZINC000343696563 254178427 /nfs/dbraw/zinc/17/84/27/254178427.db2.gz YGHDCSBGDVFMOJ-FUHWJXTLSA-N 0 0 314.335 3.144 10 30 DGEERN Fc1ccc(C#CCN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000156872082 197146835 /nfs/dbraw/zinc/14/68/35/197146835.db2.gz KYDCKIGSDKOCAB-QGZVFWFLSA-N 0 0 301.386 3.312 10 30 DGEERN CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120885242 195257176 /nfs/dbraw/zinc/25/71/76/195257176.db2.gz XOFIHFZVZMHNHN-QGZVFWFLSA-N 0 0 324.428 3.163 10 30 DGEERN C=CCCCN(C)C(=O)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000271609467 209055359 /nfs/dbraw/zinc/05/53/59/209055359.db2.gz ZPWBBFRAOHAUDD-PBHICJAKSA-N 0 0 320.433 3.379 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(Cn3cncn3)cc2)no1 ZINC000288947875 335058977 /nfs/dbraw/zinc/05/89/77/335058977.db2.gz KEOVINQGQMWUTB-CYBMUJFWSA-N 0 0 309.373 3.446 10 30 DGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C#N)cc1C ZINC000121154061 195300264 /nfs/dbraw/zinc/30/02/64/195300264.db2.gz VEEKJULONSQNNT-QGZVFWFLSA-N 0 0 322.412 3.194 10 30 DGEERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCCC1 ZINC000122003060 195389556 /nfs/dbraw/zinc/38/95/56/195389556.db2.gz OQFXREHYXSUYNA-LLVKDONJSA-N 0 0 319.386 3.028 10 30 DGEERN COc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1F ZINC000182863667 533648671 /nfs/dbraw/zinc/64/86/71/533648671.db2.gz JSWNBZABEKBVKW-UHFFFAOYSA-N 0 0 324.355 3.319 10 30 DGEERN Cc1cc([C@H]2CN(C(=O)C3(C#N)CCCC3)CCO2)ccc1F ZINC000129167408 291990068 /nfs/dbraw/zinc/99/00/68/291990068.db2.gz QEPCMZKAMCVELV-MRXNPFEDSA-N 0 0 316.376 3.118 10 30 DGEERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091247963 400109044 /nfs/dbraw/zinc/10/90/44/400109044.db2.gz CXJAGXGLRKMUDB-SCLBCKFNSA-N 0 0 305.381 3.433 10 30 DGEERN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)C1(C#N)CCC1 ZINC000066321364 400079304 /nfs/dbraw/zinc/07/93/04/400079304.db2.gz ZEHOXDNDIAJSBM-OAHLLOKOSA-N 0 0 312.413 3.410 10 30 DGEERN C=CCCCCCNC(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000581437440 400079475 /nfs/dbraw/zinc/07/94/75/400079475.db2.gz LZXGODUVAVHRBC-CQSZACIVSA-N 0 0 308.447 3.178 10 30 DGEERN C=CCOc1cccc(NC(=O)c2cnn3c2C[C@H](C)CC3)c1 ZINC000581431144 400079476 /nfs/dbraw/zinc/07/94/76/400079476.db2.gz YAHRJKRTLIPZKW-CYBMUJFWSA-N 0 0 311.385 3.283 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CCC(C)C)cn1 ZINC000616103011 400082951 /nfs/dbraw/zinc/08/29/51/400082951.db2.gz NWSSHUHMNJFUSF-INIZCTEOSA-N 0 0 317.433 3.080 10 30 DGEERN CS(=O)(=O)N1c2ccccc2CC[C@H]1c1ccccc1C#N ZINC000616594441 400179885 /nfs/dbraw/zinc/17/98/85/400179885.db2.gz HTUJTPXWGBIFJQ-KRWDZBQOSA-N 0 0 312.394 3.012 10 30 DGEERN N#Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000616633223 400189072 /nfs/dbraw/zinc/18/90/72/400189072.db2.gz MIRSDRMIXWRESF-QGZVFWFLSA-N 0 0 312.394 3.084 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1sccc1C#N ZINC000328619850 400182822 /nfs/dbraw/zinc/18/28/22/400182822.db2.gz GHRUEXNAZUBIMB-LLVKDONJSA-N 0 0 317.439 3.235 10 30 DGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1c(C)noc1C ZINC000328645998 400183726 /nfs/dbraw/zinc/18/37/26/400183726.db2.gz ZXNMNSONMXDEHB-LLVKDONJSA-N 0 0 305.403 3.481 10 30 DGEERN C=CCN(CC=C)C(=O)CSCc1ccc(C)c(C#N)c1 ZINC000600649724 400122928 /nfs/dbraw/zinc/12/29/28/400122928.db2.gz XAWMUKRHHNSHCD-UHFFFAOYSA-N 0 0 300.427 3.301 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(C)C ZINC000608872177 400129314 /nfs/dbraw/zinc/12/93/14/400129314.db2.gz NJEGFXXDWVVJEH-INIZCTEOSA-N 0 0 302.418 3.466 10 30 DGEERN CC(C)COc1ncc(CNc2nccnc2C#N)cc1Cl ZINC000091679034 400131081 /nfs/dbraw/zinc/13/10/81/400131081.db2.gz USIZOOWFKOFSEB-UHFFFAOYSA-N 0 0 317.780 3.044 10 30 DGEERN CN(C(=O)COc1ccccc1C#N)C(C)(C)c1ccccc1 ZINC000585810196 400144112 /nfs/dbraw/zinc/14/41/12/400144112.db2.gz VEFWQBLYKVTTSO-UHFFFAOYSA-N 0 0 308.381 3.331 10 30 DGEERN N#Cc1ccc(CNC(=O)Cc2coc3ccccc23)c(F)c1 ZINC000586774774 400153079 /nfs/dbraw/zinc/15/30/79/400153079.db2.gz NGMXUKGXLDVZON-UHFFFAOYSA-N 0 0 308.312 3.302 10 30 DGEERN CN(C(=O)NCc1ccc(C#N)cc1F)C1Cc2ccccc2C1 ZINC000609253129 400153815 /nfs/dbraw/zinc/15/38/15/400153815.db2.gz VUDCTOBDZJYYCX-UHFFFAOYSA-N 0 0 323.371 3.006 10 30 DGEERN C=C(C)[C@H](Cc1nc(-c2cnn(C(C)(C)C)c2)no1)OCC ZINC000350936003 400226505 /nfs/dbraw/zinc/22/65/05/400226505.db2.gz BISKFFYSKGBTNA-ZDUSSCGKSA-N 0 0 304.394 3.212 10 30 DGEERN Cn1ccnc1C[C@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000610282353 400234827 /nfs/dbraw/zinc/23/48/27/400234827.db2.gz NRCNRWLJMOPDTL-INIZCTEOSA-N 0 0 303.369 3.083 10 30 DGEERN CCc1cnc(NC(=O)NCc2ccc(C#N)cc2F)s1 ZINC000610334121 400242313 /nfs/dbraw/zinc/24/23/13/400242313.db2.gz HBENLHUXAWQKNU-UHFFFAOYSA-N 0 0 304.350 3.038 10 30 DGEERN CCc1nc(NC(=O)NCc2ccc(C#N)cc2F)sc1C ZINC000610331790 400242653 /nfs/dbraw/zinc/24/26/53/400242653.db2.gz QKUQYZPZKHQTRA-UHFFFAOYSA-N 0 0 318.377 3.346 10 30 DGEERN C=CCC1(c2nc(C3(CCOC)CCC3)no2)CCOCC1 ZINC000351307971 400246521 /nfs/dbraw/zinc/24/65/21/400246521.db2.gz LHCXWBFEYVLXQU-UHFFFAOYSA-N 0 0 306.406 3.152 10 30 DGEERN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000610352873 400248210 /nfs/dbraw/zinc/24/82/10/400248210.db2.gz OHAKNORQORXCCO-HKUYNNGSSA-N 0 0 323.371 3.227 10 30 DGEERN CC(=O)N(C)c1cccc(Nc2snc(Cl)c2C#N)c1 ZINC000092663065 400191262 /nfs/dbraw/zinc/19/12/62/400191262.db2.gz LYWOPJADYUCTMB-UHFFFAOYSA-N 0 0 306.778 3.394 10 30 DGEERN C[C@H]1Cc2ccccc2N1C1CCN(c2cccc(C#N)n2)CC1 ZINC000609892050 400200332 /nfs/dbraw/zinc/20/03/32/400200332.db2.gz FRXHFKWUVHHNDE-HNNXBMFYSA-N 0 0 318.424 3.373 10 30 DGEERN C=CCCC(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000588215617 400202672 /nfs/dbraw/zinc/20/26/72/400202672.db2.gz PNBKRTWDVVECGB-MRXNPFEDSA-N 0 0 307.397 3.083 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@H](C)SCc1nc(CC2CC2)no1 ZINC000601060831 400218262 /nfs/dbraw/zinc/21/82/62/400218262.db2.gz FSCCZDRZJHYNLQ-LBPRGKRZSA-N 0 0 323.462 3.068 10 30 DGEERN C=C1CC(C)(C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)C1 ZINC000601234372 400270617 /nfs/dbraw/zinc/27/06/17/400270617.db2.gz CDDVQOOSHJZUPF-UHFFFAOYSA-N 0 0 301.386 3.432 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000617035096 400286574 /nfs/dbraw/zinc/28/65/74/400286574.db2.gz HMVBKECEMSZAMK-INMHGKMJSA-N 0 0 314.429 3.056 10 30 DGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000617036884 400288002 /nfs/dbraw/zinc/28/80/02/400288002.db2.gz GJAJHVKAKPWXCA-BFHYXJOUSA-N 0 0 320.458 3.118 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(C)cc(C)n1 ZINC000617035686 400288096 /nfs/dbraw/zinc/28/80/96/400288096.db2.gz QYAVPHKYEXBQHE-GJZGRUSLSA-N 0 0 319.474 3.437 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1nnn(-c2ccccc2)c1C ZINC000617037217 400288182 /nfs/dbraw/zinc/28/81/82/400288182.db2.gz JQWUUUTYWRRUDS-RDJZCZTQSA-N 0 0 324.428 3.440 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000617036859 400288226 /nfs/dbraw/zinc/28/82/26/400288226.db2.gz 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ZINC000617040406 400290070 /nfs/dbraw/zinc/29/00/70/400290070.db2.gz UBVKEZGSLAOQDN-UXLLHSPISA-N 0 0 320.477 3.323 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc2ccccc2c1=O ZINC000617042690 400290886 /nfs/dbraw/zinc/29/08/86/400290886.db2.gz UXZAUBUWKFLZOK-WMZOPIPTSA-N 0 0 324.424 3.253 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000617043537 400291555 /nfs/dbraw/zinc/29/15/55/400291555.db2.gz BEFYTGWZXXLIFA-ZFWWWQNUSA-N 0 0 310.401 3.336 10 30 DGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000617043951 400292120 /nfs/dbraw/zinc/29/21/20/400292120.db2.gz HANYRJPMHCRDFS-WMZOPIPTSA-N 0 0 324.428 3.061 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccncc2)c1 ZINC000617043990 400292133 /nfs/dbraw/zinc/29/21/33/400292133.db2.gz HMCMVMYIJAWFLD-PBHICJAKSA-N 0 0 310.401 3.132 10 30 DGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000617044846 400292508 /nfs/dbraw/zinc/29/25/08/400292508.db2.gz UDVAOMREDLKOSD-WCQYABFASA-N 0 0 316.426 3.454 10 30 DGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](CNC(C)=O)CC(C)C ZINC000617044545 400292513 /nfs/dbraw/zinc/29/25/13/400292513.db2.gz PDCWRYGCTQHLFQ-KSZLIROESA-N 0 0 322.493 3.426 10 30 DGEERN C=CCCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601457409 400303184 /nfs/dbraw/zinc/30/31/84/400303184.db2.gz TVVWNUGNUOZGLT-UHFFFAOYSA-N 0 0 302.374 3.489 10 30 DGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000610790354 400306766 /nfs/dbraw/zinc/30/67/66/400306766.db2.gz DRVSXBGGCVHUFE-HIFRSBDPSA-N 0 0 322.355 3.266 10 30 DGEERN N#Cc1c(Br)cccc1N1CC[C@H](C(F)F)C1 ZINC000589599300 400307798 /nfs/dbraw/zinc/30/77/98/400307798.db2.gz DMDIOFOPOMATLW-QMMMGPOBSA-N 0 0 301.134 3.412 10 30 DGEERN N#Cc1ccc(N2CC[C@@H](C(F)F)C2)c(Br)c1 ZINC000589600069 400308226 /nfs/dbraw/zinc/30/82/26/400308226.db2.gz NQCIQQQVGUVDOM-SECBINFHSA-N 0 0 301.134 3.412 10 30 DGEERN N#Cc1ccc(F)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029658400 400313696 /nfs/dbraw/zinc/31/36/96/400313696.db2.gz JABLXCBKQNQFPJ-GOSISDBHSA-N 0 0 314.335 3.410 10 30 DGEERN N#Cc1ccc(CNC(=O)N2CCc3cccc(F)c32)c(F)c1 ZINC000610880468 400319694 /nfs/dbraw/zinc/31/96/94/400319694.db2.gz UTAIZEUMJZCJSU-UHFFFAOYSA-N 0 0 313.307 3.109 10 30 DGEERN C=CC[C@H](C)NC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC000601189269 400259597 /nfs/dbraw/zinc/25/95/97/400259597.db2.gz PJDVXJWGBQBKFN-ZDUSSCGKSA-N 0 0 303.402 3.265 10 30 DGEERN C=CCCC1(CNC(=O)[C@H]2CCCCN2C(=O)CC)CCCC1 ZINC000617416403 400384128 /nfs/dbraw/zinc/38/41/28/400384128.db2.gz OTBSOQROPRCIOY-MRXNPFEDSA-N 0 0 320.477 3.420 10 30 DGEERN C=CCCC1(CNC(=O)[C@H](CC)N2CCCC2=O)CCCC1 ZINC000617417107 400385178 /nfs/dbraw/zinc/38/51/78/400385178.db2.gz LYFBECFMDOYEPS-HNNXBMFYSA-N 0 0 306.450 3.030 10 30 DGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(CC)c(OC)c1 ZINC000578906116 400333457 /nfs/dbraw/zinc/33/34/57/400333457.db2.gz MCXDPEGUJZVEOC-UHFFFAOYSA-N 0 0 318.417 3.059 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2sccc2c1 ZINC000579113453 400335737 /nfs/dbraw/zinc/33/57/37/400335737.db2.gz IWHSGWLMKRGRHI-GJZGRUSLSA-N 0 0 316.426 3.292 10 30 DGEERN C=CCCCCCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000579245327 400336817 /nfs/dbraw/zinc/33/68/17/400336817.db2.gz OZBNIRKSSQSQAQ-UHFFFAOYSA-N 0 0 303.406 3.256 10 30 DGEERN C=CCCCCCNC(=O)Nc1cc2oc(=O)n(C)c2cc1F ZINC000579969692 400344753 /nfs/dbraw/zinc/34/47/53/400344753.db2.gz MQCSMANFARIGCX-UHFFFAOYSA-N 0 0 321.352 3.139 10 30 DGEERN C=CCCC(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000601747057 400345431 /nfs/dbraw/zinc/34/54/31/400345431.db2.gz JPOUJXZFPRMANU-UHFFFAOYSA-N 0 0 320.345 3.046 10 30 DGEERN C=C(C)C[C@H](NC(=O)[C@H](C)CCc1ccccc1F)C(=O)OC ZINC000601781823 400348267 /nfs/dbraw/zinc/34/82/67/400348267.db2.gz LJFROMKDMXRDPS-CJNGLKHVSA-N 0 0 321.392 3.018 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC000580994293 400349851 /nfs/dbraw/zinc/34/98/51/400349851.db2.gz PHIKNNJKYNYIAY-QGZVFWFLSA-N 0 0 300.381 3.238 10 30 DGEERN Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH]1 ZINC000611247158 400364035 /nfs/dbraw/zinc/36/40/35/400364035.db2.gz UIRRNZOTNZUHMQ-UHFFFAOYSA-N 0 0 305.381 3.433 10 30 DGEERN C=CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601874476 400368999 /nfs/dbraw/zinc/36/89/99/400368999.db2.gz YVEKWVFIXPRCSC-UONOGXRCSA-N 0 0 311.389 3.161 10 30 DGEERN C=CCOc1ccc(O[C@@H](C)c2nc(C(=O)OC)co2)cc1 ZINC000601923625 400376142 /nfs/dbraw/zinc/37/61/42/400376142.db2.gz RXOYMFIEHRHEMF-NSHDSACASA-N 0 0 303.314 3.166 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(C(=O)OC)nc2)CCCCC1 ZINC000602107003 400414178 /nfs/dbraw/zinc/41/41/78/400414178.db2.gz GDKDJJDLHLBTSH-UHFFFAOYSA-N 0 0 316.401 3.011 10 30 DGEERN C=CCC1(C(=O)NCC(C)(C)C(O)(CC)CC)CCOCC1 ZINC000617513220 400399665 /nfs/dbraw/zinc/39/96/65/400399665.db2.gz IKOKUELFHLISJT-UHFFFAOYSA-N 0 0 311.466 3.053 10 30 DGEERN C=CCN(C(=O)CCc1ccccc1OCC)[C@H](C)COC ZINC000617574517 400415721 /nfs/dbraw/zinc/41/57/21/400415721.db2.gz BXDQIGZRYMLFMT-OAHLLOKOSA-N 0 0 305.418 3.067 10 30 DGEERN C=CCN(C(=O)c1cc2c(cc(F)cc2C)[nH]1)[C@@H](C)COC ZINC000617579531 400416864 /nfs/dbraw/zinc/41/68/64/400416864.db2.gz GEOFAPFKIMUPSS-LBPRGKRZSA-N 0 0 304.365 3.279 10 30 DGEERN C=CCN(C(=O)Cc1c[nH]c2c1cccc2CC)[C@H](C)COC ZINC000617578557 400417067 /nfs/dbraw/zinc/41/70/67/400417067.db2.gz MJTYZQKAEWEDOZ-CQSZACIVSA-N 0 0 314.429 3.322 10 30 DGEERN C=CCN(C(=O)c1cccc([C@H]2CCCOC2)c1)[C@@H](C)COC ZINC000617580824 400418565 /nfs/dbraw/zinc/41/85/65/400418565.db2.gz GEVPRJFWKHMOMO-YJBOKZPZSA-N 0 0 317.429 3.244 10 30 DGEERN CC1(C#N)CCN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000611553576 400419778 /nfs/dbraw/zinc/41/97/78/400419778.db2.gz ABQGEZAEMWVBAM-UHFFFAOYSA-N 0 0 322.368 3.207 10 30 DGEERN C=CCOCCCC(=O)NCC(F)(F)c1cccc(F)c1 ZINC000617620913 400428539 /nfs/dbraw/zinc/42/85/39/400428539.db2.gz SKVIUWCKNFZOGY-UHFFFAOYSA-N 0 0 301.308 3.017 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602345386 400444252 /nfs/dbraw/zinc/44/42/52/400444252.db2.gz IMQUPSMTHUMYPF-UHFFFAOYSA-N 0 0 324.465 3.352 10 30 DGEERN C=CCCn1cc(C(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)nn1 ZINC000617663237 400439578 /nfs/dbraw/zinc/43/95/78/400439578.db2.gz LUSNAKRBQRWPOA-GUYCJALGSA-N 0 0 304.438 3.046 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCCc1ccnc2ccccc12 ZINC000617672733 400442652 /nfs/dbraw/zinc/44/26/52/400442652.db2.gz YLORIRPXQUYWCJ-IBGZPJMESA-N 0 0 312.413 3.122 10 30 DGEERN C=CCOc1ccc(CNc2ccc(CC(=O)NC)cc2)cc1 ZINC000121957662 400458839 /nfs/dbraw/zinc/45/88/39/400458839.db2.gz WLUNYWOQOSRJLH-UHFFFAOYSA-N 0 0 310.397 3.152 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000602376057 400448301 /nfs/dbraw/zinc/44/83/01/400448301.db2.gz GQEWQJGQSCIECF-LLVKDONJSA-N 0 0 306.387 3.355 10 30 DGEERN C=CC[C@H]1CCCN(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC000617776824 400450847 /nfs/dbraw/zinc/45/08/47/400450847.db2.gz BYSUTPWDVJYGTE-LBPRGKRZSA-N 0 0 303.793 3.416 10 30 DGEERN N#Cc1ccc2c(c1)N(C(=O)c1coc(C3CCCC3)n1)CC2 ZINC000617794388 400456195 /nfs/dbraw/zinc/45/61/95/400456195.db2.gz ZHKAFKUJBYOAKE-UHFFFAOYSA-N 0 0 307.353 3.407 10 30 DGEERN C=CCN(Cc1cc(C(=O)OCC)no1)Cc1ccccc1 ZINC000602444389 400465207 /nfs/dbraw/zinc/46/52/07/400465207.db2.gz LITSVRXCQZITMF-UHFFFAOYSA-N 0 0 300.358 3.040 10 30 DGEERN C=CCN(CC=C)C(=O)CSc1nccn1-c1ccccc1 ZINC000043694749 400475600 /nfs/dbraw/zinc/47/56/00/400475600.db2.gz ONZMCFVVGOMWCA-UHFFFAOYSA-N 0 0 313.426 3.165 10 30 DGEERN CSCCCCNC(=O)CSCc1ccc(C#N)cc1 ZINC000125842136 400486834 /nfs/dbraw/zinc/48/68/34/400486834.db2.gz CZIXMPKRJYZZRP-UHFFFAOYSA-N 0 0 308.472 3.051 10 30 DGEERN C[C@@H](CC(=O)NC1(C#N)CC1)c1ccc(Br)cc1 ZINC000126101542 400489106 /nfs/dbraw/zinc/48/91/06/400489106.db2.gz ULJONGIBMCVADC-JTQLQIEISA-N 0 0 307.191 3.115 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000044340444 400489470 /nfs/dbraw/zinc/48/94/70/400489470.db2.gz LRWPVZBPYUOVMO-CQSZACIVSA-N 0 0 320.458 3.025 10 30 DGEERN COc1ccc(Cl)cc1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612101853 400492387 /nfs/dbraw/zinc/49/23/87/400492387.db2.gz TVZVGUMRXUQYFE-MRXNPFEDSA-N 0 0 321.808 3.184 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000130092691 400534091 /nfs/dbraw/zinc/53/40/91/400534091.db2.gz OXMFEZOUYYDAHH-ZIAGYGMSSA-N 0 0 306.365 3.476 10 30 DGEERN COC(=O)c1ccc2c(c1)CN(c1cc(C#N)ccc1C(C)=O)C2 ZINC000612444252 400547635 /nfs/dbraw/zinc/54/76/35/400547635.db2.gz MBPZWSGKEFQVBS-UHFFFAOYSA-N 0 0 320.348 3.068 10 30 DGEERN Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)nc(C)n1 ZINC000612485931 400551364 /nfs/dbraw/zinc/55/13/64/400551364.db2.gz DMFYFSYICXCVBX-AEFFLSMTSA-N 0 0 320.396 3.005 10 30 DGEERN C=C(C)C[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)OC ZINC000602734575 400557039 /nfs/dbraw/zinc/55/70/39/400557039.db2.gz PKDFKAYJTKGFSB-CYBMUJFWSA-N 0 0 322.455 3.469 10 30 DGEERN C=C(C)C[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)C(=O)OC ZINC000602735319 400558690 /nfs/dbraw/zinc/55/86/90/400558690.db2.gz UTYXXOWWROHXDH-XIRDDKMYSA-N 0 0 302.418 3.205 10 30 DGEERN C=C(C)C(=O)c1ncc(Br)cc1Br ZINC000133079972 400566517 /nfs/dbraw/zinc/56/65/17/400566517.db2.gz PWSCDZXPHCBQJH-UHFFFAOYSA-N 0 0 304.969 3.365 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1cscc1Br ZINC000603013592 400624967 /nfs/dbraw/zinc/62/49/67/400624967.db2.gz CQRKRYDFXYNMFU-UHFFFAOYSA-N 0 0 314.208 3.444 10 30 DGEERN O=CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000142523912 400630754 /nfs/dbraw/zinc/63/07/54/400630754.db2.gz MAHLDYGVSLJQMZ-UHFFFAOYSA-N 0 0 307.349 3.257 10 30 DGEERN C=CCN(CCC#N)C(=O)Nc1cnn(-c2cccc(C)c2)c1C ZINC000592273521 400632617 /nfs/dbraw/zinc/63/26/17/400632617.db2.gz JRAYGBDWOLTMLG-UHFFFAOYSA-N 0 0 323.400 3.423 10 30 DGEERN C=CCN(CC=C)c1nnc([C@@H]2CCCS2)n1CC1CC1 ZINC000612958855 400633668 /nfs/dbraw/zinc/63/36/68/400633668.db2.gz FTQHQRDNRYQKMG-AWEZNQCLSA-N 0 0 304.463 3.435 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1CCSC ZINC000603077231 400637103 /nfs/dbraw/zinc/63/71/03/400637103.db2.gz QUXPBUKKXQTVJD-CVEARBPZSA-N 0 0 320.458 3.447 10 30 DGEERN CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)C1 ZINC000143734736 400637850 /nfs/dbraw/zinc/63/78/50/400637850.db2.gz FHSFDLQSTNGRAJ-UHFFFAOYSA-N 0 0 305.381 3.029 10 30 DGEERN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](Oc2ccccc2)C1)OCC ZINC000618414344 400587074 /nfs/dbraw/zinc/58/70/74/400587074.db2.gz JSDAKMIUFFFBPD-XIRDDKMYSA-N 0 0 303.402 3.084 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000618451816 400595214 /nfs/dbraw/zinc/59/52/14/400595214.db2.gz DYUKMMQDSRAVFQ-BPQIPLTHSA-N 0 0 301.430 3.213 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000618451818 400595226 /nfs/dbraw/zinc/59/52/26/400595226.db2.gz DYUKMMQDSRAVFQ-RYQLBKOJSA-N 0 0 301.430 3.213 10 30 DGEERN C=C(C)[C@@H](CC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)OCC ZINC000618493462 400600948 /nfs/dbraw/zinc/60/09/48/400600948.db2.gz VJHDXRHAEFNJFM-OKZBNKHCSA-N 0 0 317.429 3.047 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(Cl)c2cccnc12 ZINC000618513939 400608308 /nfs/dbraw/zinc/60/83/08/400608308.db2.gz GTSJXCXRJZXTEC-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN C=CCOCCCNC(=O)c1ccc(C(F)(F)F)c(OC)c1 ZINC000618516245 400609326 /nfs/dbraw/zinc/60/93/26/400609326.db2.gz KTJROXZADNCBKD-UHFFFAOYSA-N 0 0 317.307 3.037 10 30 DGEERN C=CCOCCCNC(=O)C1(c2ccccc2Cl)CCC1 ZINC000618516410 400609449 /nfs/dbraw/zinc/60/94/49/400609449.db2.gz OTYWVAOFOFBMBS-UHFFFAOYSA-N 0 0 307.821 3.471 10 30 DGEERN C=CCOCCCNC(=O)c1cccc(-c2ccccn2)c1C ZINC000618526339 400611435 /nfs/dbraw/zinc/61/14/35/400611435.db2.gz PXIBKIPCFHHFNX-UHFFFAOYSA-N 0 0 310.397 3.380 10 30 DGEERN C=CCOCCCNC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000618526199 400611599 /nfs/dbraw/zinc/61/15/99/400611599.db2.gz MFWXSFDOZHRHGB-UHFFFAOYSA-N 0 0 305.422 3.019 10 30 DGEERN C=CCOCCCNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000618526727 400611888 /nfs/dbraw/zinc/61/18/88/400611888.db2.gz WKFGESFFLIKPCH-INIZCTEOSA-N 0 0 305.418 3.252 10 30 DGEERN C=CCOc1ccc(CC(=O)NCC[C@@]2(C)CC2(F)F)cc1 ZINC000618635882 400651558 /nfs/dbraw/zinc/65/15/58/400651558.db2.gz CQSBQMJCQLDJPK-INIZCTEOSA-N 0 0 309.356 3.346 10 30 DGEERN C=CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1)C1CC1 ZINC000603121237 400644770 /nfs/dbraw/zinc/64/47/70/400644770.db2.gz JPYNGGUEFKPZJU-JKSUJKDBSA-N 0 0 314.385 3.145 10 30 DGEERN N#Cc1cc(N2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000613284126 400689148 /nfs/dbraw/zinc/68/91/48/400689148.db2.gz DZHFVZNCAFQRCL-KRWDZBQOSA-N 0 0 315.373 3.252 10 30 DGEERN CC(=O)N1CCC[C@H](CNc2cccc(-n3cccc3)c2C#N)C1 ZINC000603365822 400674558 /nfs/dbraw/zinc/67/45/58/400674558.db2.gz TZAPYIQVGVORQZ-MRXNPFEDSA-N 0 0 322.412 3.019 10 30 DGEERN CCC(CC)CN(CCC#N)C(=O)c1cncc(COC)c1 ZINC000613231653 400678962 /nfs/dbraw/zinc/67/89/62/400678962.db2.gz BIQYHEIWMRUQRN-UHFFFAOYSA-N 0 0 303.406 3.020 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000076940472 400680748 /nfs/dbraw/zinc/68/07/48/400680748.db2.gz IOKHIOBCGUAXKT-UHFFFAOYSA-N 0 0 312.360 3.438 10 30 DGEERN C=C[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)OC)c1C ZINC000618746881 400682263 /nfs/dbraw/zinc/68/22/63/400682263.db2.gz ALHUQHISCNXASV-ZDUSSCGKSA-N 0 0 302.374 3.354 10 30 DGEERN C=C(C)Cc1cccc(C(=O)OC)c1OCc1cnc(C)o1 ZINC000603421201 400685193 /nfs/dbraw/zinc/68/51/93/400685193.db2.gz BAIDQVYEOJXOBP-UHFFFAOYSA-N 0 0 301.342 3.467 10 30 DGEERN CN(C(C1CC1)C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000051159264 400696209 /nfs/dbraw/zinc/69/62/09/400696209.db2.gz XWKDJEAJXZCCSR-UHFFFAOYSA-N 0 0 324.833 3.021 10 30 DGEERN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000618845923 400699821 /nfs/dbraw/zinc/69/98/21/400699821.db2.gz IJQRDAQOODYNKF-BQFCYCMXSA-N 0 0 309.413 3.377 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000618889411 400710589 /nfs/dbraw/zinc/71/05/89/400710589.db2.gz MCOLOYKVBBNICA-UHFFFAOYSA-N 0 0 322.408 3.270 10 30 DGEERN N#Cc1ccc(NCCCCn2cnnc2)cc1C(F)(F)F ZINC000078510461 400806051 /nfs/dbraw/zinc/80/60/51/400806051.db2.gz DPKFJVCKGOZACM-UHFFFAOYSA-N 0 0 309.295 3.061 10 30 DGEERN N#Cc1ccc(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000171856830 400809048 /nfs/dbraw/zinc/80/90/48/400809048.db2.gz HIPLERVAXSICSS-IRXDYDNUSA-N 0 0 323.371 3.300 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000172065167 400813273 /nfs/dbraw/zinc/81/32/73/400813273.db2.gz LXLAUUTWWZBMMA-UHFFFAOYSA-N 0 0 314.282 3.426 10 30 DGEERN C=CCC1(NC(=O)Cc2c(C)nn(CC3CC3)c2C)CCCC1 ZINC000619112119 400772247 /nfs/dbraw/zinc/77/22/47/400772247.db2.gz TWKGPRXVCGZVRC-UHFFFAOYSA-N 0 0 315.461 3.458 10 30 DGEERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000171052147 400784211 /nfs/dbraw/zinc/78/42/11/400784211.db2.gz IPFIHGNERYPPCD-ACJLOTCBSA-N 0 0 306.365 3.275 10 30 DGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000613857605 400802310 /nfs/dbraw/zinc/80/23/10/400802310.db2.gz HEWDSIJMXDKCRF-KRWDZBQOSA-N 0 0 320.477 3.467 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)NCC2(C#N)CCCCC2)c1C ZINC000619218950 400803661 /nfs/dbraw/zinc/80/36/61/400803661.db2.gz LFZPIGKGCZWTIT-UHFFFAOYSA-N 0 0 301.390 3.038 10 30 DGEERN N#CC1CCC(CNC(=O)CCOc2cccc(F)c2)CC1 ZINC000619660403 400880343 /nfs/dbraw/zinc/88/03/43/400880343.db2.gz VMXIAADKMJDWOC-UHFFFAOYSA-N 0 0 304.365 3.041 10 30 DGEERN C=CC[C@@H]1CC[C@@H](N[C@@H](C(=O)OC)c2ccc(OC)cc2)C1 ZINC000593617614 400882255 /nfs/dbraw/zinc/88/22/55/400882255.db2.gz ZSQCCKKYUAAABP-FRFSOERESA-N 0 0 303.402 3.244 10 30 DGEERN C=CCCOCC(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 ZINC000619381633 400831065 /nfs/dbraw/zinc/83/10/65/400831065.db2.gz VHMKWROSNZWJGY-ZDUSSCGKSA-N 0 0 323.820 3.263 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000614133229 400841401 /nfs/dbraw/zinc/84/14/01/400841401.db2.gz MTAHRZOIASJODB-CQSZACIVSA-N 0 0 312.413 3.121 10 30 DGEERN CCOc1c(F)cccc1C(=O)NCc1ccc(C#N)cc1F ZINC000173087976 400842467 /nfs/dbraw/zinc/84/24/67/400842467.db2.gz IHRFMKKAKISALX-UHFFFAOYSA-N 0 0 316.307 3.165 10 30 DGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000180928072 400886236 /nfs/dbraw/zinc/88/62/36/400886236.db2.gz WAJQDFIOVFWCPO-ZIAGYGMSSA-N 0 0 318.417 3.194 10 30 DGEERN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc(C#N)cc1F)O2 ZINC000619434937 400848296 /nfs/dbraw/zinc/84/82/96/400848296.db2.gz QLGLOEBRVDQIFA-SFHVURJKSA-N 0 0 324.355 3.016 10 30 DGEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000055217853 400858525 /nfs/dbraw/zinc/85/85/25/400858525.db2.gz IIOYFLMYALQVIG-JTQLQIEISA-N 0 0 324.789 3.153 10 30 DGEERN CC(C)c1nn(C)cc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619540701 400864058 /nfs/dbraw/zinc/86/40/58/400864058.db2.gz PNPGAEOFYHQLBL-OAHLLOKOSA-N 0 0 323.400 3.224 10 30 DGEERN N#Cc1cc(CSc2ncccc2Br)ccn1 ZINC000079426505 400864552 /nfs/dbraw/zinc/86/45/52/400864552.db2.gz YLHUXRHTOKPEHT-UHFFFAOYSA-N 0 0 306.188 3.403 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000633411226 400939494 /nfs/dbraw/zinc/93/94/94/400939494.db2.gz LEUPJLVDLLGAAI-CQSZACIVSA-N 0 0 324.856 3.485 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000633410899 400939959 /nfs/dbraw/zinc/93/99/59/400939959.db2.gz GGIWFFDJTUFJFH-YJBOKZPZSA-N 0 0 306.450 3.332 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000633410176 400940316 /nfs/dbraw/zinc/94/03/16/400940316.db2.gz GMXUINGWEZAWFT-XHSDSOJGSA-N 0 0 308.466 3.314 10 30 DGEERN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](n2cc(C)cn2)C1 ZINC000633411363 400940430 /nfs/dbraw/zinc/94/04/30/400940430.db2.gz PTCFBIRANKVFAD-OAHLLOKOSA-N 0 0 304.438 3.140 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000629494298 400941521 /nfs/dbraw/zinc/94/15/21/400941521.db2.gz IEONNRHPXUQBJA-QGZVFWFLSA-N 0 0 307.390 3.009 10 30 DGEERN C=CCOc1cccnc1C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000620688278 400945128 /nfs/dbraw/zinc/94/51/28/400945128.db2.gz ZUBVCMXUMSIQEP-MRXNPFEDSA-N 0 0 322.408 3.448 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2csc(C(F)(F)F)c2)C1=O ZINC000629501906 400945917 /nfs/dbraw/zinc/94/59/17/400945917.db2.gz CFTOSXZKSFSBPO-SECBINFHSA-N 0 0 318.320 3.154 10 30 DGEERN Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc(C2CC2)n1 ZINC000182023286 400891350 /nfs/dbraw/zinc/89/13/50/400891350.db2.gz 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317.414 3.155 10 30 DGEERN C=CC[C@H]1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)C1 ZINC000628486889 401606832 /nfs/dbraw/zinc/60/68/32/401606832.db2.gz SIOWYDLPPIWRDT-HNNXBMFYSA-N 0 0 315.413 3.473 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)C1 ZINC000628489814 401607250 /nfs/dbraw/zinc/60/72/50/401607250.db2.gz HZVFLJOUIVPGJJ-CQSZACIVSA-N 0 0 309.369 3.307 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000628490561 401607293 /nfs/dbraw/zinc/60/72/93/401607293.db2.gz BACMRMWOQTUHMG-CQSZACIVSA-N 0 0 300.402 3.441 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC000628488351 401607350 /nfs/dbraw/zinc/60/73/50/401607350.db2.gz XVLIVKKMVDOREE-GFCCVEGCSA-N 0 0 302.399 3.370 10 30 DGEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000628489876 401607393 /nfs/dbraw/zinc/60/73/93/401607393.db2.gz JQSUHZZQBVIVET-GJZGRUSLSA-N 0 0 317.429 3.307 10 30 DGEERN C=CC[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)ccc2F)C1 ZINC000628490669 401607450 /nfs/dbraw/zinc/60/74/50/401607450.db2.gz 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401614638 /nfs/dbraw/zinc/61/46/38/401614638.db2.gz GMQSEFFOUSVSCY-BRWVUGGUSA-N 0 0 315.413 3.084 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCc1ccnc(OC(F)F)c1 ZINC000624022549 401614926 /nfs/dbraw/zinc/61/49/26/401614926.db2.gz TXLCAFVADWBLDD-UHFFFAOYSA-N 0 0 313.348 3.085 10 30 DGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000632572390 401615626 /nfs/dbraw/zinc/61/56/26/401615626.db2.gz VMRILIOIJCTBKX-MELADBBJSA-N 0 0 319.417 3.325 10 30 DGEERN C=CC(C)(C)CCNC(=O)NCC1(c2ccccn2)CCC1 ZINC000624052299 401619064 /nfs/dbraw/zinc/61/90/64/401619064.db2.gz AUWAOLFZGPIQIU-UHFFFAOYSA-N 0 0 301.434 3.405 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)C1 ZINC000633154367 401654697 /nfs/dbraw/zinc/65/46/97/401654697.db2.gz ODDOHAPCJHIKGP-UHFFFAOYSA-N 0 0 320.820 3.461 10 30 DGEERN C=C1CC(C)(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)C1 ZINC000633160549 401655428 /nfs/dbraw/zinc/65/54/28/401655428.db2.gz VHCHAYFWMGGHLB-HXUWFJFHSA-N 0 0 313.441 3.187 10 30 DGEERN C=CC(C)(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1OC ZINC000624377741 401656991 /nfs/dbraw/zinc/65/69/91/401656991.db2.gz XILGFAMNGAFCLI-LSDHHAIUSA-N 0 0 302.418 3.453 10 30 DGEERN CC(=O)c1ccc(C#N)c(NC[C@@H]2Cc3ccccc3CO2)c1 ZINC000624440785 401660412 /nfs/dbraw/zinc/66/04/12/401660412.db2.gz ZSWWMRKLFXOQPN-SFHVURJKSA-N 0 0 306.365 3.314 10 30 DGEERN C=CC[C@H]1CCN(C(=O)NCc2cnccc2C(F)(F)F)C1 ZINC000624398274 401657695 /nfs/dbraw/zinc/65/76/95/401657695.db2.gz AOANXOUHRVYRRL-NSHDSACASA-N 0 0 313.323 3.208 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000624460317 401662183 /nfs/dbraw/zinc/66/21/83/401662183.db2.gz RMSRARGHASPMIH-VXGBXAGGSA-N 0 0 322.371 3.340 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000624461620 401662483 /nfs/dbraw/zinc/66/24/83/401662483.db2.gz CVCDJXJECYPTIM-UHFFFAOYSA-N 0 0 308.466 3.437 10 30 DGEERN C=CCn1c(C)nnc1SC1CC(Oc2ccccc2)C1 ZINC000629095083 401662659 /nfs/dbraw/zinc/66/26/59/401662659.db2.gz IVQVHXDNBVHCCM-UHFFFAOYSA-N 0 0 301.415 3.475 10 30 DGEERN C=CC(C)(C)CCNC(=O)N1CCN(C)c2ccccc2C1 ZINC000624466047 401663156 /nfs/dbraw/zinc/66/31/56/401663156.db2.gz GFJFNMWDBXLZOJ-UHFFFAOYSA-N 0 0 301.434 3.250 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(COC)c(OC)c1 ZINC000629270587 401676927 /nfs/dbraw/zinc/67/69/27/401676927.db2.gz IDKWGCLBQPLGGH-CQSZACIVSA-N 0 0 320.433 3.067 10 30 DGEERN C=CCC(C)(C)c1noc(C2(c3cc(C)no3)CCOCC2)n1 ZINC000624633560 401677339 /nfs/dbraw/zinc/67/73/39/401677339.db2.gz MVZMMYYXKRIWDT-UHFFFAOYSA-N 0 0 317.389 3.316 10 30 DGEERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000407960255 165940564 /nfs/dbraw/zinc/94/05/64/165940564.db2.gz ZFTIEWRUGWSCOU-ILXRZTDVSA-N 0 0 322.412 3.251 10 30 DGEERN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C1CCCC1 ZINC000172096603 164648474 /nfs/dbraw/zinc/64/84/74/164648474.db2.gz MSMLAOJZGDOEEI-ZDUSSCGKSA-N 0 0 302.443 3.486 10 30 DGEERN N#Cc1cccc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1 ZINC000175246417 164752231 /nfs/dbraw/zinc/75/22/31/164752231.db2.gz 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Cn1cc(C#N)cc1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000187756883 165103777 /nfs/dbraw/zinc/10/37/77/165103777.db2.gz NRSWQLPICTUKJU-RDJZCZTQSA-N 0 0 307.397 3.038 10 30 DGEERN N#Cc1c(F)cccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000189087105 165147647 /nfs/dbraw/zinc/14/76/47/165147647.db2.gz UAYULAHDZKIDFV-NSHDSACASA-N 0 0 315.373 3.174 10 30 DGEERN N#Cc1ccc(C2(C(=O)NCCC[C@H]3CCCCO3)CC2)cc1 ZINC000189123969 165149980 /nfs/dbraw/zinc/14/99/80/165149980.db2.gz NAINCJLANGFJSZ-QGZVFWFLSA-N 0 0 312.413 3.055 10 30 DGEERN COc1ccc(C[S@](=O)Cc2ccc(C#N)c(F)c2)cc1F ZINC000190745630 165214984 /nfs/dbraw/zinc/21/49/84/165214984.db2.gz NCOJGVXVAGUYQA-JOCHJYFZSA-N 0 0 321.348 3.294 10 30 DGEERN COc1ccc([N+](=O)[O-])cc1OCc1ccc(C#N)c(F)c1 ZINC000191474804 165253102 /nfs/dbraw/zinc/25/31/02/165253102.db2.gz KWWCSMCWBKGPSY-UHFFFAOYSA-N 0 0 302.261 3.193 10 30 DGEERN COC(=O)c1ccc(OCc2ccc(C#N)c(F)c2)c(OC)c1 ZINC000191524250 165257124 /nfs/dbraw/zinc/25/71/24/165257124.db2.gz HFFKOLPHBLTDQE-UHFFFAOYSA-N 0 0 315.300 3.072 10 30 DGEERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000192470252 165292816 /nfs/dbraw/zinc/29/28/16/165292816.db2.gz ZIFPJIHIXHSFLV-SNVBAGLBSA-N 0 0 301.296 3.065 10 30 DGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000192884624 165310612 /nfs/dbraw/zinc/31/06/12/165310612.db2.gz CNLGWYDTGLKPQS-SECBINFHSA-N 0 0 303.724 3.237 10 30 DGEERN CC(C)n1ncc2ccc(NC(=O)c3ccnc(C#N)c3)cc21 ZINC000193052381 165316046 /nfs/dbraw/zinc/31/60/46/165316046.db2.gz BRRMKJIINICZGW-UHFFFAOYSA-N 0 0 305.341 3.136 10 30 DGEERN Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1OCC(F)F ZINC000193082938 165316736 /nfs/dbraw/zinc/31/67/36/165316736.db2.gz BAKPCZDKVLQQMG-UHFFFAOYSA-N 0 0 317.295 3.158 10 30 DGEERN N#Cc1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)ccn1 ZINC000193331351 165322708 /nfs/dbraw/zinc/32/27/08/165322708.db2.gz MVRJSPHJUHBDIM-UHFFFAOYSA-N 0 0 311.316 3.133 10 30 DGEERN N#Cc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)ccn1 ZINC000193727418 165331871 /nfs/dbraw/zinc/33/18/71/165331871.db2.gz AHMMACVTQYKJCG-UHFFFAOYSA-N 0 0 314.348 3.195 10 30 DGEERN CC1(C)CCCC[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000194491620 165346423 /nfs/dbraw/zinc/34/64/23/165346423.db2.gz CLMJLXKZHBEPGB-OAHLLOKOSA-N 0 0 323.400 3.294 10 30 DGEERN Cc1csc([C@H]2CN(Cc3ccc(C#N)cc3F)CCO2)n1 ZINC000195388118 165368713 /nfs/dbraw/zinc/36/87/13/165368713.db2.gz CZPXZHRALPNEOI-OAHLLOKOSA-N 0 0 317.389 3.036 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000129081534 196017793 /nfs/dbraw/zinc/01/77/93/196017793.db2.gz JIYXFGUVYNXLGO-SJORKVTESA-N 0 0 310.397 3.231 10 30 DGEERN N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000129294350 196036525 /nfs/dbraw/zinc/03/65/25/196036525.db2.gz LNJBCNIZQSNVOI-RHSMWYFYSA-N 0 0 300.308 3.149 10 30 DGEERN N#Cc1ccccc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246701416 432155898 /nfs/dbraw/zinc/15/58/98/432155898.db2.gz MXNSJQRYPURSHY-YJBOKZPZSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190702791 432183126 /nfs/dbraw/zinc/18/31/26/432183126.db2.gz BDMSBKWEEKFYRH-NEPJUHHUSA-N 0 0 307.356 3.405 10 30 DGEERN N#Cc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000191017451 432212417 /nfs/dbraw/zinc/21/24/17/432212417.db2.gz BMUVLWKIVAJHHA-UHFFFAOYSA-N 0 0 309.749 3.325 10 30 DGEERN N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000269747349 432204683 /nfs/dbraw/zinc/20/46/83/432204683.db2.gz BCRACWBRSDDJGX-MAUKXSAKSA-N 0 0 314.335 3.144 10 30 DGEERN COc1cccc([C@@H]2CN(Cc3ccc(C#N)s3)CCO2)c1 ZINC000131667074 196189514 /nfs/dbraw/zinc/18/95/14/196189514.db2.gz YYJLHXHKVOFIBQ-KRWDZBQOSA-N 0 0 314.410 3.202 10 30 DGEERN N#CC1(NC(=O)c2ccnc(OCc3ccccc3)c2)CCCC1 ZINC000065056855 226812556 /nfs/dbraw/zinc/81/25/56/226812556.db2.gz YPGZPROAIQYULW-UHFFFAOYSA-N 0 0 321.380 3.227 10 30 DGEERN N#C[C@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000108839798 226914444 /nfs/dbraw/zinc/91/44/44/226914444.db2.gz MZIRETMZMWGQDP-ZDUSSCGKSA-N 0 0 313.184 3.181 10 30 DGEERN Cc1cc(Br)cc(C(=O)NC2(C#N)CCCC2)c1 ZINC000124249761 226989090 /nfs/dbraw/zinc/98/90/90/226989090.db2.gz BHVWUKQRXZXARR-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN N#CCSc1ccccc1NC(=O)CSC1CCOCC1 ZINC000130900599 227023396 /nfs/dbraw/zinc/02/33/96/227023396.db2.gz GHFDDIYDHAVUBS-UHFFFAOYSA-N 0 0 322.455 3.153 10 30 DGEERN Cc1ccn(-c2ccccc2NC(=O)N(CCC#N)CC2CC2)n1 ZINC000151302889 227059717 /nfs/dbraw/zinc/05/97/17/227059717.db2.gz UMQZALKZXGANIN-UHFFFAOYSA-N 0 0 323.400 3.338 10 30 DGEERN N#CCCN(Cc1ccco1)Cc1nc(C2CCCC2)no1 ZINC000154844986 227104855 /nfs/dbraw/zinc/10/48/55/227104855.db2.gz XQGVJNSESBFDTB-UHFFFAOYSA-N 0 0 300.362 3.236 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000184575674 335079347 /nfs/dbraw/zinc/07/93/47/335079347.db2.gz HREGJXDXEJEQDB-CQSZACIVSA-N 0 0 313.401 3.099 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000184618898 335080802 /nfs/dbraw/zinc/08/08/02/335080802.db2.gz WVBYNTXFKMSREJ-HNNXBMFYSA-N 0 0 316.445 3.436 10 30 DGEERN N#CC1(NC(=O)C/C=C/c2ccc(F)cc2)CCSCC1 ZINC000162194212 228256264 /nfs/dbraw/zinc/25/62/64/228256264.db2.gz PUPXAGHBUMNCRA-OWOJBTEDSA-N 0 0 304.390 3.135 10 30 DGEERN Cc1ccc(C#N)cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000170664054 228267964 /nfs/dbraw/zinc/26/79/64/228267964.db2.gz GHJVOSMRJADJMG-UHFFFAOYSA-N 0 0 323.377 3.216 10 30 DGEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171738092 228273144 /nfs/dbraw/zinc/27/31/44/228273144.db2.gz RKSYETORMLVFSZ-CHWSQXEVSA-N 0 0 304.340 3.411 10 30 DGEERN Cc1csc([C@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n1 ZINC000173414152 228281734 /nfs/dbraw/zinc/28/17/34/228281734.db2.gz BYOJQGOBRCTNDR-ZDUSSCGKSA-N 0 0 303.431 3.242 10 30 DGEERN Cc1ccc(OCCCC(=O)NC2(C#N)CCCC2)cc1C ZINC000174192809 228287766 /nfs/dbraw/zinc/28/77/66/228287766.db2.gz ODGOLVLCJKVHKE-UHFFFAOYSA-N 0 0 300.402 3.415 10 30 DGEERN O=C(C#Cc1ccccc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175110445 228297343 /nfs/dbraw/zinc/29/73/43/228297343.db2.gz BRSVUVGBORBSHH-UHFFFAOYSA-N 0 0 322.383 3.280 10 30 DGEERN N#Cc1ccc(OCCNC(=O)Nc2ccc3[nH]ccc3c2)cc1 ZINC000175845447 228306268 /nfs/dbraw/zinc/30/62/68/228306268.db2.gz SHVGMJRXBYDFKJ-UHFFFAOYSA-N 0 0 320.352 3.240 10 30 DGEERN Cn1cc(C#N)cc1C(=O)Nc1scnc1-c1ccccc1 ZINC000176976489 228322634 /nfs/dbraw/zinc/32/26/34/228322634.db2.gz BOUIRHKYCADQFP-UHFFFAOYSA-N 0 0 308.366 3.273 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178597994 228343595 /nfs/dbraw/zinc/34/35/95/228343595.db2.gz VHAMVQUDPOXGMD-LBPRGKRZSA-N 0 0 309.325 3.266 10 30 DGEERN Cc1c(C#N)cccc1NCC(=O)Nc1cc(F)cc(F)c1 ZINC000179058263 228349414 /nfs/dbraw/zinc/34/94/14/228349414.db2.gz MEQBRKQNJOLCHV-UHFFFAOYSA-N 0 0 301.296 3.196 10 30 DGEERN COC(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000179647921 228352342 /nfs/dbraw/zinc/35/23/42/228352342.db2.gz ALYQOUSEDJCGSI-NSHDSACASA-N 0 0 301.173 3.099 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000182461252 228367364 /nfs/dbraw/zinc/36/73/64/228367364.db2.gz XPHUKXAGKLSZRO-BZNIZROVSA-N 0 0 306.793 3.177 10 30 DGEERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000328838658 228916091 /nfs/dbraw/zinc/91/60/91/228916091.db2.gz YHTDDFHDZUBCSE-IMJJTQAJSA-N 0 0 322.449 3.082 10 30 DGEERN O=C(Nc1cccc2ccsc21)N1CCC[C@@](F)(CO)C1 ZINC000329491743 228945807 /nfs/dbraw/zinc/94/58/07/228945807.db2.gz VQENSENVAYXMML-HNNXBMFYSA-N 0 0 308.378 3.243 10 30 DGEERN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000329701662 228955716 /nfs/dbraw/zinc/95/57/16/228955716.db2.gz HOOWNUANYDGCMZ-NVXWUHKLSA-N 0 0 302.422 3.008 10 30 DGEERN Cc1nc(C2(NC(=O)C[C@H]3CCCCNC3=O)CCCC2)no1 ZINC000329846383 228963344 /nfs/dbraw/zinc/96/33/44/228963344.db2.gz QSKOMQUZHYZARF-GFCCVEGCSA-N 0 0 320.393 3.251 10 30 DGEERN COc1c(Cl)cccc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330150501 228978625 /nfs/dbraw/zinc/97/86/25/228978625.db2.gz VTAUZNQCUJZKKO-ZDUSSCGKSA-N 0 0 310.781 3.005 10 30 DGEERN Cc1nc([C@H](C)NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cs1 ZINC000330244034 228983533 /nfs/dbraw/zinc/98/35/33/228983533.db2.gz XCMGVSSAVDQVJG-UFGOTCBOSA-N 0 0 322.434 3.010 10 30 DGEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N(C)Cc2nccn2C)C1 ZINC000329816320 228962136 /nfs/dbraw/zinc/96/21/36/228962136.db2.gz VVCFVEIRMNSPFF-SHTZXODSSA-N 0 0 312.417 3.021 10 30 DGEERN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(O)c1 ZINC000364701223 229455138 /nfs/dbraw/zinc/45/51/38/229455138.db2.gz MHBYOQSCIJVLQI-ROUUACIJSA-N 0 0 306.365 3.304 10 30 DGEERN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)c1C ZINC000408339412 229622744 /nfs/dbraw/zinc/62/27/44/229622744.db2.gz PSEOFDCDARBMAU-HZPDHXFCSA-N 0 0 320.458 3.199 10 30 DGEERN N#Cc1ccnc(NCc2ccc(C(F)F)cc2)c1[N+](=O)[O-] ZINC000302174501 230142667 /nfs/dbraw/zinc/14/26/67/230142667.db2.gz NTKOSFSWUMLHGF-UHFFFAOYSA-N 0 0 304.256 3.411 10 30 DGEERN Cc1ccc(NCc2ccc(-n3ccnc3)c(F)c2)nc1C#N ZINC000302619426 230321475 /nfs/dbraw/zinc/32/14/75/230321475.db2.gz GORFBACPDQMWSS-UHFFFAOYSA-N 0 0 307.332 3.199 10 30 DGEERN Cc1ccc(NCC(C)(C)c2ccc3c(c2)OCCO3)nc1C#N ZINC000302670356 230342322 /nfs/dbraw/zinc/34/23/22/230342322.db2.gz RJHGYNSJFCEOCI-UHFFFAOYSA-N 0 0 323.396 3.423 10 30 DGEERN Cc1cccc(N2CCC(Nc3ccc(C)c(C#N)n3)CC2)n1 ZINC000302681795 230347313 /nfs/dbraw/zinc/34/73/13/230347313.db2.gz XEOWPFLELRCCKA-UHFFFAOYSA-N 0 0 307.401 3.046 10 30 DGEERN COc1cccc([C@H]2CCCN2C(=O)Cc2cccc(C#N)c2)c1 ZINC000531149145 269795735 /nfs/dbraw/zinc/79/57/35/269795735.db2.gz BQAVFDVMLYUQOY-LJQANCHMSA-N 0 0 320.392 3.473 10 30 DGEERN Cc1cc(CCNC(=O)c2ccc(C#N)cc2C)cc(C)c1O ZINC000188737332 263701616 /nfs/dbraw/zinc/70/16/16/263701616.db2.gz MUFUYNSYFYTYMW-UHFFFAOYSA-N 0 0 308.381 3.162 10 30 DGEERN COCCc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000189973278 263730702 /nfs/dbraw/zinc/73/07/02/263730702.db2.gz MUUXYCFGIHSXFB-CQSZACIVSA-N 0 0 324.380 3.153 10 30 DGEERN N#Cc1cccc(CNC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000193231888 263790351 /nfs/dbraw/zinc/79/03/51/263790351.db2.gz OCMVLILNVVDMRV-UHFFFAOYSA-N 0 0 309.413 3.182 10 30 DGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000195414881 263830831 /nfs/dbraw/zinc/83/08/31/263830831.db2.gz KPQNKCKYMQCZMI-ZDUSSCGKSA-N 0 0 322.364 3.289 10 30 DGEERN N#Cc1cccc(C2(C(=O)N3CC(c4ccccc4F)C3)CC2)c1 ZINC000361225490 270004483 /nfs/dbraw/zinc/00/44/83/270004483.db2.gz TXINKGRBBCXKRD-UHFFFAOYSA-N 0 0 320.367 3.355 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C#N)cn1C ZINC000176544952 265596437 /nfs/dbraw/zinc/59/64/37/265596437.db2.gz LZPMHCKSLNRWBZ-UHFFFAOYSA-N 0 0 319.817 3.440 10 30 DGEERN CC(C)(C)OC(=O)C1(NC(=O)c2sccc2C#N)CCCC1 ZINC000524227554 266852218 /nfs/dbraw/zinc/85/22/18/266852218.db2.gz PVYQKFPOQOPHTH-UHFFFAOYSA-N 0 0 320.414 3.004 10 30 DGEERN C[C@H](C(=O)N1c2ccccc2[C@H](C)CC1(C)C)n1cnc(C#N)n1 ZINC000361891013 267130135 /nfs/dbraw/zinc/13/01/35/267130135.db2.gz ASLYYTGVISFHOW-CHWSQXEVSA-N 0 0 323.400 3.030 10 30 DGEERN C[C@H](c1ccc(C#N)cc1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O ZINC000272366001 267206861 /nfs/dbraw/zinc/20/68/61/267206861.db2.gz ZHANKPRONCZEQO-YYQUZTFQSA-N 0 0 323.396 3.215 10 30 DGEERN CN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000531147077 267274888 /nfs/dbraw/zinc/27/48/88/267274888.db2.gz JSQYDMASAZUQND-IBGZPJMESA-N 0 0 304.393 3.117 10 30 DGEERN Cc1cc(C#N)nc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000367507389 267315094 /nfs/dbraw/zinc/31/50/94/267315094.db2.gz LJTSQZHTUXPAHO-ZDUSSCGKSA-N 0 0 319.368 3.182 10 30 DGEERN Cc1cc(C#N)nc(N2CCn3c(cc4cc(Cl)ccc43)C2)n1 ZINC000376478066 267316425 /nfs/dbraw/zinc/31/64/25/267316425.db2.gz GDDHQZNXTVWGNJ-UHFFFAOYSA-N 0 0 323.787 3.285 10 30 DGEERN Cn1ccc([C@H](Nc2cccc(C#N)n2)c2ccc(F)cc2)n1 ZINC000358464090 267820715 /nfs/dbraw/zinc/82/07/15/267820715.db2.gz MIPXASDMLZTXIM-QGZVFWFLSA-N 0 0 307.332 3.027 10 30 DGEERN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000531390914 267879054 /nfs/dbraw/zinc/87/90/54/267879054.db2.gz MABYLKOVPCGUBE-HNAYVOBHSA-N 0 0 320.392 3.089 10 30 DGEERN Cc1cc(NC(=O)Cc2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000520691215 268006755 /nfs/dbraw/zinc/00/67/55/268006755.db2.gz ZWXSWLQRCXXMQK-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN N#Cc1ccc(N2CCOc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000377114647 268121393 /nfs/dbraw/zinc/12/13/93/268121393.db2.gz NFJNGZLAODRUEI-UHFFFAOYSA-N 0 0 313.288 3.005 10 30 DGEERN N#Cc1cccc(CC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000531152472 268273743 /nfs/dbraw/zinc/27/37/43/268273743.db2.gz DVCCKZGBVZTCFU-UHFFFAOYSA-N 0 0 310.784 3.339 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000531385295 268273867 /nfs/dbraw/zinc/27/38/67/268273867.db2.gz FXYHHYHZXXLKEQ-GOSISDBHSA-N 0 0 322.383 3.331 10 30 DGEERN N#Cc1cccc(CC(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000531146026 268276648 /nfs/dbraw/zinc/27/66/48/268276648.db2.gz VJVHBRBVEXXYJU-KRWDZBQOSA-N 0 0 324.355 3.270 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2ccc(N3CCCCC3)cn2)c1 ZINC000531157535 268277617 /nfs/dbraw/zinc/27/76/17/268277617.db2.gz YDKQBBGGUBDDSV-UHFFFAOYSA-N 0 0 320.396 3.125 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000531390440 268278581 /nfs/dbraw/zinc/27/85/81/268278581.db2.gz BHHJNQRJEDHWOL-UHFFFAOYSA-N 0 0 320.377 3.258 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000531384877 268278937 /nfs/dbraw/zinc/27/89/37/268278937.db2.gz BMGIJKQMLBJHHZ-UHFFFAOYSA-N 0 0 302.280 3.341 10 30 DGEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1c1ccco1 ZINC000247555807 432241170 /nfs/dbraw/zinc/24/11/70/432241170.db2.gz TYOJTQSOYYKJRU-BBRMVZONSA-N 0 0 309.369 3.315 10 30 DGEERN C=CCn1c(SC[C@H](O)C2CCCCC2)nnc1C1CC1 ZINC000191251848 432241302 /nfs/dbraw/zinc/24/13/02/432241302.db2.gz NFOJGASTOYNPMA-AWEZNQCLSA-N 0 0 307.463 3.375 10 30 DGEERN COc1ccc(COc2ccccc2-c2nnco2)cc1C#N ZINC000183008062 432248815 /nfs/dbraw/zinc/24/88/15/432248815.db2.gz ZMCMUBVTXKFZTL-UHFFFAOYSA-N 0 0 307.309 3.196 10 30 DGEERN COc1ccc(C[C@@H]2CCCN(c3nc(C)cc(C#N)n3)C2)cc1 ZINC000367826430 271082434 /nfs/dbraw/zinc/08/24/34/271082434.db2.gz NQLSWKONWSQETI-INIZCTEOSA-N 0 0 322.412 3.124 10 30 DGEERN C[C@@H]1COC[C@@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151504849 432251846 /nfs/dbraw/zinc/25/18/46/432251846.db2.gz ZMPDIXAJZBBPGL-CHWSQXEVSA-N 0 0 313.319 3.046 10 30 DGEERN C=C1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000341999074 275420831 /nfs/dbraw/zinc/42/08/31/275420831.db2.gz WSRWUNGHWQPAIY-QGZVFWFLSA-N 0 0 300.446 3.464 10 30 DGEERN COc1ccc2ccccc2c1CNc1nc(C)cc(C#N)n1 ZINC000514928166 429373470 /nfs/dbraw/zinc/37/34/70/429373470.db2.gz RKOHPHZTLICSCP-UHFFFAOYSA-N 0 0 304.353 3.431 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000485732510 275740739 /nfs/dbraw/zinc/74/07/39/275740739.db2.gz MKRKIAJZWFHAGP-CGTJXYLNSA-N 0 0 301.430 3.332 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000452189669 275751558 /nfs/dbraw/zinc/75/15/58/275751558.db2.gz VDVQYNYEAPUIQV-KCXAZCMYSA-N 0 0 307.340 3.050 10 30 DGEERN C=CC[C@H](CO)CNc1ncc(F)c(Oc2ccccc2F)n1 ZINC000527943616 429825481 /nfs/dbraw/zinc/82/54/81/429825481.db2.gz AYBDACBGUGXNTM-NSHDSACASA-N 0 0 321.327 3.144 10 30 DGEERN C=CC(C)(C)CCNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000626506851 429950500 /nfs/dbraw/zinc/95/05/00/429950500.db2.gz BYPIHODKZCEWJI-UHFFFAOYSA-N 0 0 302.300 3.219 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000424606993 276855725 /nfs/dbraw/zinc/85/57/25/276855725.db2.gz ZISBESHRLZFNJM-UHFFFAOYSA-N 0 0 317.429 3.233 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000278580426 276875257 /nfs/dbraw/zinc/87/52/57/276875257.db2.gz RTSZAVBNQLEJPR-VHDGCEQUSA-N 0 0 321.417 3.460 10 30 DGEERN C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C)(C)[C@H](O)C3 ZINC000014825214 276881166 /nfs/dbraw/zinc/88/11/66/276881166.db2.gz GXNOBSWJKBHASE-MRXNPFEDSA-N 0 0 314.381 3.331 10 30 DGEERN N#Cc1ccc2nc(NC[C@H](CO)c3ccccc3)ccc2c1 ZINC000537877107 430172894 /nfs/dbraw/zinc/17/28/94/430172894.db2.gz SUHMETRQARLPQE-QGZVFWFLSA-N 0 0 303.365 3.294 10 30 DGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H](C2CC2)C1 ZINC000329346298 277245082 /nfs/dbraw/zinc/24/50/82/277245082.db2.gz CWOIVZZIOYBKPI-UMVBOHGHSA-N 0 0 307.438 3.166 10 30 DGEERN CC(C)(C)[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1O ZINC000408194180 277258875 /nfs/dbraw/zinc/25/88/75/277258875.db2.gz HCOVDRMFMYEVQZ-DOTOQJQBSA-N 0 0 313.445 3.065 10 30 DGEERN C=CCC1(CN2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)CCCC1 ZINC000420061167 277825642 /nfs/dbraw/zinc/82/56/42/277825642.db2.gz LTMAXIPEOACNKR-KFWWJZLASA-N 0 0 302.418 3.186 10 30 DGEERN C[C@@H](Nc1cc(C#N)c2ccccc2n1)C(=O)N1CCCC[C@@H]1C ZINC000609892767 430563922 /nfs/dbraw/zinc/56/39/22/430563922.db2.gz XXVOOMURAAVURU-UONOGXRCSA-N 0 0 322.412 3.308 10 30 DGEERN N#Cc1nc(NC[C@@H]2CCCn3ccnc32)ccc1C(F)(F)F ZINC000619697086 430597314 /nfs/dbraw/zinc/59/73/14/430597314.db2.gz BYMYCBUEKKCBKY-JTQLQIEISA-N 0 0 321.306 3.158 10 30 DGEERN CC(C)[C@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000619696583 430597359 /nfs/dbraw/zinc/59/73/59/430597359.db2.gz YMNFBZSFIHBEQE-IINYFYTJSA-N 0 0 313.323 3.445 10 30 DGEERN CC(C)[C@@H](O)C1(CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619697346 430597526 /nfs/dbraw/zinc/59/75/26/430597526.db2.gz XYHXLFSEOWGJGO-CYBMUJFWSA-N 0 0 313.323 3.181 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000459011012 277904908 /nfs/dbraw/zinc/90/49/08/277904908.db2.gz BUZRXPPAYFWUFS-YJNKXOJESA-N 0 0 304.390 3.106 10 30 DGEERN CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](O)[C@H](C)C3)c2c1 ZINC000408456103 278052793 /nfs/dbraw/zinc/05/27/93/278052793.db2.gz ZTIKTIBKLZDLOK-ACJLOTCBSA-N 0 0 309.413 3.437 10 30 DGEERN CC1(C#N)CCN(C(=O)N[C@@H]2COc3c2cccc3Cl)CC1 ZINC000365021021 278170686 /nfs/dbraw/zinc/17/06/86/278170686.db2.gz ZWWUXTHKSLIVCL-CYBMUJFWSA-N 0 0 319.792 3.109 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCCN(C)c2ccccc21 ZINC000166326269 278629075 /nfs/dbraw/zinc/62/90/75/278629075.db2.gz VNVLOVMDAAIDPN-UHFFFAOYSA-N 0 0 305.381 3.353 10 30 DGEERN CC(C)C1(c2ccccc2)CN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000334117759 278705415 /nfs/dbraw/zinc/70/54/15/278705415.db2.gz IPVFUJRDZVLHHB-DOTOQJQBSA-N 0 0 311.429 3.298 10 30 DGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 ZINC000066712971 278857707 /nfs/dbraw/zinc/85/77/07/278857707.db2.gz SKXBBLHIOCNCHW-RDTXWAMCSA-N 0 0 306.365 3.160 10 30 DGEERN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(C#N)cc1 ZINC000190124893 278938526 /nfs/dbraw/zinc/93/85/26/278938526.db2.gz SABTTXVIGQSXGF-QGZVFWFLSA-N 0 0 306.365 3.049 10 30 DGEERN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000450566317 279011118 /nfs/dbraw/zinc/01/11/18/279011118.db2.gz VHKIBHXTFUNMPR-VXGBXAGGSA-N 0 0 311.360 3.184 10 30 DGEERN Cn1nc(C(=O)Nc2scc(Cl)c2C#N)c2c1CCCC2 ZINC000333914616 279397549 /nfs/dbraw/zinc/39/75/49/279397549.db2.gz YQKZTPYDWYJHIK-UHFFFAOYSA-N 0 0 320.805 3.138 10 30 DGEERN C=CC1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000110362954 431186581 /nfs/dbraw/zinc/18/65/81/431186581.db2.gz OBCIQDUWACELMB-GUYCJALGSA-N 0 0 312.413 3.319 10 30 DGEERN C=CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000110361654 431187272 /nfs/dbraw/zinc/18/72/72/431187272.db2.gz OJYPBEIJCCYVPB-CXAGYDPISA-N 0 0 312.413 3.319 10 30 DGEERN Cc1nc(CCC(=O)N[C@@H](C#N)C2CC2)oc1-c1ccccc1 ZINC000108841350 431157953 /nfs/dbraw/zinc/15/79/53/431157953.db2.gz HUIPTVMSMONVRN-HNNXBMFYSA-N 0 0 309.369 3.001 10 30 DGEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000111481580 431225672 /nfs/dbraw/zinc/22/56/72/431225672.db2.gz YGEIIKYSNFYAPZ-MRXNPFEDSA-N 0 0 324.380 3.184 10 30 DGEERN Cc1ccccc1NC(=S)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000003232792 431287077 /nfs/dbraw/zinc/28/70/77/431287077.db2.gz NZOQPAVTEWIHKE-MHWRWJLKSA-N 0 0 314.370 3.224 10 30 DGEERN CN(C)/C=N/c1ncc(Sc2ccccc2[N+](=O)[O-])s1 ZINC000003252054 431290882 /nfs/dbraw/zinc/29/08/82/431290882.db2.gz ZYIPFYKGHXMGRW-RIYZIHGNSA-N 0 0 308.388 3.424 10 30 DGEERN C=C(C)CN(CC)C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000113021017 431324206 /nfs/dbraw/zinc/32/42/06/431324206.db2.gz POKNHEVMHZJJLX-UHFFFAOYSA-N 0 0 302.349 3.448 10 30 DGEERN CCOc1cc(C(=O)N(CCC#N)Cc2ccccn2)ccc1C ZINC000113171469 431331988 /nfs/dbraw/zinc/33/19/88/431331988.db2.gz IJOWFDBUPAFUFK-UHFFFAOYSA-N 0 0 323.396 3.345 10 30 DGEERN CC(C)CCN(CCC#N)CC(=O)Nc1cc(F)cc(F)c1 ZINC000072691819 431347026 /nfs/dbraw/zinc/34/70/26/431347026.db2.gz ZIPBLXVKQIYMEH-UHFFFAOYSA-N 0 0 309.360 3.165 10 30 DGEERN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C#N)n1C ZINC000450062298 279766100 /nfs/dbraw/zinc/76/61/00/279766100.db2.gz TXYLLWGJJCOYHQ-APPDUMDISA-N 0 0 311.360 3.089 10 30 DGEERN CCc1nccn1[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000114709724 431408005 /nfs/dbraw/zinc/40/80/05/431408005.db2.gz CVMMRDIYLWBGNL-CYBMUJFWSA-N 0 0 315.808 3.207 10 30 DGEERN CCN(C(=O)c1ccccc1OCC#N)[C@H](C)c1cccnc1 ZINC000115227869 431440873 /nfs/dbraw/zinc/44/08/73/431440873.db2.gz FBYAGCUNENLANB-CQSZACIVSA-N 0 0 309.369 3.207 10 30 DGEERN CC1(C)c2cc(C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000074732070 431436254 /nfs/dbraw/zinc/43/62/54/431436254.db2.gz PSVCAJGKLCZQLV-UHFFFAOYSA-N 0 0 305.337 3.040 10 30 DGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000116811309 431530185 /nfs/dbraw/zinc/53/01/85/431530185.db2.gz CXGAZZAALRGWLT-ZBEGNZNMSA-N 0 0 301.346 3.106 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Cc1ccc(C#N)cc1 ZINC000066709512 279923626 /nfs/dbraw/zinc/92/36/26/279923626.db2.gz ZOGHZFDFPUSUGQ-KXBFYZLASA-N 0 0 320.392 3.089 10 30 DGEERN C=CCCCN(C)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000076650954 431559836 /nfs/dbraw/zinc/55/98/36/431559836.db2.gz ZRCIVWHSQHKEOH-UHFFFAOYSA-N 0 0 306.406 3.235 10 30 DGEERN C=CCCCN(C)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000076945174 431565115 /nfs/dbraw/zinc/56/51/15/431565115.db2.gz HPXCZVKMVNVIQG-UHFFFAOYSA-N 0 0 312.417 3.022 10 30 DGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CO3)[C@@H]1CCC2=O ZINC000013649826 431563820 /nfs/dbraw/zinc/56/38/20/431563820.db2.gz JJEROASYJCSDIU-WKSOIMLMSA-N 0 0 314.425 3.466 10 30 DGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000076854476 431564428 /nfs/dbraw/zinc/56/44/28/431564428.db2.gz GDUSHXFNLJNIRR-UHFFFAOYSA-N 0 0 304.415 3.130 10 30 DGEERN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C#N)n1C ZINC000450124771 280161030 /nfs/dbraw/zinc/16/10/30/280161030.db2.gz HTPIVQKRSQQWEF-INIZCTEOSA-N 0 0 309.413 3.380 10 30 DGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000117598598 431569124 /nfs/dbraw/zinc/56/91/24/431569124.db2.gz NQKKSSZGEVOGGK-FZKQIMNGSA-N 0 0 306.365 3.081 10 30 DGEERN N#CCCn1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n1 ZINC000117717821 431576995 /nfs/dbraw/zinc/57/69/95/431576995.db2.gz GUOFZLKWAGXEFO-UHFFFAOYSA-N 0 0 324.315 3.448 10 30 DGEERN CC(=O)N(C)c1ccccc1NCCOc1ccc(C#N)cc1 ZINC000118389968 431605079 /nfs/dbraw/zinc/60/50/79/431605079.db2.gz VGKFPVIOUWCANT-UHFFFAOYSA-N 0 0 309.369 3.032 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000077861765 431626828 /nfs/dbraw/zinc/62/68/28/431626828.db2.gz KCTNTUPLJDBDHU-UHFFFAOYSA-N 0 0 314.307 3.069 10 30 DGEERN C=CCCO[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187685 431648893 /nfs/dbraw/zinc/64/88/93/431648893.db2.gz QUYKTAVARCOGPS-ZMSDIMECSA-N 0 0 317.429 3.381 10 30 DGEERN Cc1cc(C(=O)Nc2sccc2C#N)nn1-c1ccccc1 ZINC000119486265 431698201 /nfs/dbraw/zinc/69/82/01/431698201.db2.gz SBLCAGNTMDYQND-UHFFFAOYSA-N 0 0 308.366 3.366 10 30 DGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCc2occc21 ZINC000119521600 431700661 /nfs/dbraw/zinc/70/06/61/431700661.db2.gz CEOQDJNMHBXDFM-DOMZBBRYSA-N 0 0 310.353 3.112 10 30 DGEERN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000119513995 431702252 /nfs/dbraw/zinc/70/22/52/431702252.db2.gz AIVRQNSIDMVGPI-AWEZNQCLSA-N 0 0 320.433 3.041 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000119542144 431704898 /nfs/dbraw/zinc/70/48/98/431704898.db2.gz QZQREYPEPIVHBU-SFHVURJKSA-N 0 0 324.355 3.220 10 30 DGEERN C[C@H](CC#N)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000120418027 431726151 /nfs/dbraw/zinc/72/61/51/431726151.db2.gz NUMLXOQMQFBZMK-WDEREUQCSA-N 0 0 309.207 3.361 10 30 DGEERN Cc1cc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c(C#N)cc1N(C)C ZINC000408465123 280605716 /nfs/dbraw/zinc/60/57/16/280605716.db2.gz GNXJNPASHNXFAO-BBRMVZONSA-N 0 0 312.417 3.339 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000079996972 431757130 /nfs/dbraw/zinc/75/71/30/431757130.db2.gz KAKMWYKULKBSKM-OAHLLOKOSA-N 0 0 317.385 3.062 10 30 DGEERN COC(=O)c1cc(F)ccc1CN(CCC#N)Cc1ccco1 ZINC000081517437 431790468 /nfs/dbraw/zinc/79/04/68/431790468.db2.gz YABNYBMZSSHVNO-UHFFFAOYSA-N 0 0 316.332 3.121 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083654016 431812252 /nfs/dbraw/zinc/81/22/52/431812252.db2.gz QFFJAFOMZYCICZ-ZIAGYGMSSA-N 0 0 318.417 3.167 10 30 DGEERN C[C@@H](CNC(=O)c1cc(C#N)cs1)c1ccc(F)cc1F ZINC000084116239 431815759 /nfs/dbraw/zinc/81/57/59/431815759.db2.gz IHLWXUYUUZVVJL-VIFPVBQESA-N 0 0 306.337 3.431 10 30 DGEERN CC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000121351941 431775598 /nfs/dbraw/zinc/77/55/98/431775598.db2.gz PFNKKKQOUDZAIB-MFKMUULPSA-N 0 0 309.207 3.361 10 30 DGEERN Cn1cc(C#N)cc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000080944273 431779142 /nfs/dbraw/zinc/77/91/42/431779142.db2.gz JQBKSGINDAMHMI-UHFFFAOYSA-N 0 0 319.817 3.072 10 30 DGEERN Cn1cc(C#N)cc1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000081013423 431781725 /nfs/dbraw/zinc/78/17/25/431781725.db2.gz QHGNFMCUJQGYLM-INIZCTEOSA-N 0 0 308.385 3.049 10 30 DGEERN C=CCOc1ccc(C(=O)NCCc2ncc(CC)s2)cc1 ZINC000081204259 431785985 /nfs/dbraw/zinc/78/59/85/431785985.db2.gz XOSAERVKWOXOPS-UHFFFAOYSA-N 0 0 316.426 3.243 10 30 DGEERN Cc1c(Br)cccc1C(=O)NC1(C#N)CCCC1 ZINC000088441008 431858027 /nfs/dbraw/zinc/85/80/27/431858027.db2.gz AWNHODGLDDANHY-UHFFFAOYSA-N 0 0 307.191 3.324 10 30 DGEERN C=CCn1c(SCC(=O)C2CC2)nnc1-c1cccs1 ZINC000123194731 431858318 /nfs/dbraw/zinc/85/83/18/431858318.db2.gz ADJHFWUTVURPDV-UHFFFAOYSA-N 0 0 305.428 3.264 10 30 DGEERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 ZINC000041423899 431859959 /nfs/dbraw/zinc/85/99/59/431859959.db2.gz MTICJWPBBSRENT-KSSFIOAISA-N 0 0 306.365 3.160 10 30 DGEERN Cc1nc2cc(NCc3cnc4ccc(C#N)cn34)ccc2o1 ZINC000123394928 431864277 /nfs/dbraw/zinc/86/42/77/431864277.db2.gz MNMOBNOVURQZON-UHFFFAOYSA-N 0 0 303.325 3.268 10 30 DGEERN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000125174037 431916336 /nfs/dbraw/zinc/91/63/36/431916336.db2.gz UDBYARNTDADQPK-CQSZACIVSA-N 0 0 321.490 3.102 10 30 DGEERN C=C[C@@H](CC(=O)N[C@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000125256863 431919562 /nfs/dbraw/zinc/91/95/62/431919562.db2.gz PLCQRALCBYZSKT-HOCLYGCPSA-N 0 0 324.428 3.152 10 30 DGEERN N#Cc1nccn1CCCC(=O)c1ccc(Br)cc1 ZINC000094937460 431919909 /nfs/dbraw/zinc/91/99/09/431919909.db2.gz OAIMWDGZDANHHI-UHFFFAOYSA-N 0 0 318.174 3.180 10 30 DGEERN CC[C@H](C#N)NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000123824547 431875109 /nfs/dbraw/zinc/87/51/09/431875109.db2.gz NEYWIIURAGAWNP-MJGOQNOKSA-N 0 0 319.408 3.209 10 30 DGEERN N#C[C@H](C(=O)c1scnc1C1CC1)c1nc2ccccc2[nH]1 ZINC000089964422 431887547 /nfs/dbraw/zinc/88/75/47/431887547.db2.gz CVIPIVABQKICGJ-SNVBAGLBSA-N 0 0 308.366 3.387 10 30 DGEERN C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000046079489 431894311 /nfs/dbraw/zinc/89/43/11/431894311.db2.gz USOWOTBNHBTSMN-ZDUSSCGKSA-N 0 0 304.390 3.148 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)NCc1cccnc1N(C)C ZINC000046287347 431896647 /nfs/dbraw/zinc/89/66/47/431896647.db2.gz MSLKFZZKEAONQT-UHFFFAOYSA-N 0 0 324.428 3.045 10 30 DGEERN Cn1ncnc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000091184531 431903258 /nfs/dbraw/zinc/90/32/58/431903258.db2.gz MOTXFKZEMXHGIA-HNNXBMFYSA-N 0 0 324.388 3.069 10 30 DGEERN CC(C)c1csc([C@H]2CCCN(c3cnc(C#N)cn3)C2)n1 ZINC000125612624 431931100 /nfs/dbraw/zinc/93/11/00/431931100.db2.gz WARBWZNXDLDJBA-LBPRGKRZSA-N 0 0 313.430 3.312 10 30 DGEERN CCCC(C#N)(CCC)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000126257492 431946384 /nfs/dbraw/zinc/94/63/84/431946384.db2.gz SYEHONILGDTWCD-UHFFFAOYSA-N 0 0 303.362 3.496 10 30 DGEERN Cc1cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)no1 ZINC000053755380 431964624 /nfs/dbraw/zinc/96/46/24/431964624.db2.gz JOUXVDLJTUPZPG-UHFFFAOYSA-N 0 0 300.318 3.286 10 30 DGEERN CC[C@H]1CCCCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000124995299 281041576 /nfs/dbraw/zinc/04/15/76/281041576.db2.gz HRSUVNYVGVZSFG-INIZCTEOSA-N 0 0 306.431 3.043 10 30 DGEERN COc1cc(C)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000055819360 431985846 /nfs/dbraw/zinc/98/58/46/431985846.db2.gz UCYQBBCIBLLYDR-CYBMUJFWSA-N 0 0 310.353 3.281 10 30 DGEERN C#Cc1cccc(NC(=O)N2CCC(c3cnn(CC)c3)CC2)c1 ZINC000151815506 432278534 /nfs/dbraw/zinc/27/85/34/432278534.db2.gz CJAUEXWGDFYWIP-UHFFFAOYSA-N 0 0 322.412 3.296 10 30 DGEERN CCN(C(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1ccc(C#N)cc1 ZINC000151858634 432282954 /nfs/dbraw/zinc/28/29/54/432282954.db2.gz ZRWSEHGOEDBFSD-FZKQIMNGSA-N 0 0 306.365 3.476 10 30 DGEERN C=C(C)[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000248463748 432294659 /nfs/dbraw/zinc/29/46/59/432294659.db2.gz AVDJVOWZKGUNSU-XZJROXQQSA-N 0 0 324.371 3.449 10 30 DGEERN CCc1nc(C2(NCc3ccc(F)cc3C#N)CCCC2)no1 ZINC000173694870 432295151 /nfs/dbraw/zinc/29/51/51/432295151.db2.gz JYCKWBBFMBEPOO-UHFFFAOYSA-N 0 0 314.364 3.202 10 30 DGEERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)CCCCC#N)o1 ZINC000173716440 432295944 /nfs/dbraw/zinc/29/59/44/432295944.db2.gz KHCSPKBDFDRYRV-AWEZNQCLSA-N 0 0 310.419 3.139 10 30 DGEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000248523120 432297521 /nfs/dbraw/zinc/29/75/21/432297521.db2.gz SLBNYUIZJZVVBC-WOPDTQHZSA-N 0 0 314.212 3.150 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000173763598 432298418 /nfs/dbraw/zinc/29/84/18/432298418.db2.gz HZFNDPVNYTZMJX-KNJKRIMISA-N 0 0 320.396 3.068 10 30 DGEERN Cc1ccc(CN(C)C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173790506 432299082 /nfs/dbraw/zinc/29/90/82/432299082.db2.gz UEAGUEMALXHNBE-UHFFFAOYSA-N 0 0 323.396 3.087 10 30 DGEERN C[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000128555124 431996654 /nfs/dbraw/zinc/99/66/54/431996654.db2.gz HHOMHOQRZBCHJT-RDTXWAMCSA-N 0 0 320.392 3.172 10 30 DGEERN C=CCNc1ncc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000128847096 432001268 /nfs/dbraw/zinc/00/12/68/432001268.db2.gz HEOMXDAILBDOFR-ZIAGYGMSSA-N 0 0 313.426 3.275 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1nc[nH]n1 ZINC000191429336 432263593 /nfs/dbraw/zinc/26/35/93/432263593.db2.gz GEJNWVIRVHLUIC-UHFFFAOYSA-N 0 0 313.405 3.321 10 30 DGEERN Cc1ccccc1-n1ncc(C(=O)N[C@H](C#N)C2CC2)c1C(C)C ZINC000191940940 432316121 /nfs/dbraw/zinc/31/61/21/432316121.db2.gz BRQLSIHVUUOEPB-MRXNPFEDSA-N 0 0 322.412 3.336 10 30 DGEERN C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152275356 432320222 /nfs/dbraw/zinc/32/02/22/432320222.db2.gz AMTVKEIQBLIROV-CJNGLKHVSA-N 0 0 316.376 3.198 10 30 DGEERN O=C(C[C@H]1COCCN1CC#Cc1ccccc1)c1ccccc1 ZINC000192130729 432335849 /nfs/dbraw/zinc/33/58/49/432335849.db2.gz LLJYFFWPRKWBRJ-FQEVSTJZSA-N 0 0 319.404 3.012 10 30 DGEERN C[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000174336406 432337632 /nfs/dbraw/zinc/33/76/32/432337632.db2.gz CCLJYOIBSDWZCJ-NSHDSACASA-N 0 0 300.308 3.370 10 30 DGEERN COc1ccc([C@@H](C)C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000174402474 432343490 /nfs/dbraw/zinc/34/34/90/432343490.db2.gz XLQRCTVYGGDYMZ-GFCCVEGCSA-N 0 0 312.344 3.126 10 30 DGEERN CCN(CCc1nccs1)C(=O)Nc1ccc(C#N)cc1 ZINC000152721392 432351389 /nfs/dbraw/zinc/35/13/89/432351389.db2.gz PTRIFXFTEZIJBR-UHFFFAOYSA-N 0 0 300.387 3.111 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000183595275 432306017 /nfs/dbraw/zinc/30/60/17/432306017.db2.gz XCICJRKESPKYCB-GFCCVEGCSA-N 0 0 312.797 3.186 10 30 DGEERN N#Cc1nccn1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000152183006 432312076 /nfs/dbraw/zinc/31/20/76/432312076.db2.gz ORFFZANXLSKDSE-UHFFFAOYSA-N 0 0 302.337 3.060 10 30 DGEERN COc1ccc([C@@H](NC(=O)c2ccnc(C#N)c2)C(C)C)cc1 ZINC000192471331 432378747 /nfs/dbraw/zinc/37/87/47/432378747.db2.gz OTXQOLDCMYBKRI-KRWDZBQOSA-N 0 0 309.369 3.089 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000253352282 432391294 /nfs/dbraw/zinc/39/12/94/432391294.db2.gz INEWIWNTVBVWGP-BXWFABGCSA-N 0 0 303.446 3.335 10 30 DGEERN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)CC1 ZINC000460215616 281592204 /nfs/dbraw/zinc/59/22/04/281592204.db2.gz QZNJNDOZSDWQFP-AWEZNQCLSA-N 0 0 309.417 3.463 10 30 DGEERN CCN(C(=O)c1ccnc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000192682797 432399662 /nfs/dbraw/zinc/39/96/62/432399662.db2.gz CPVWUDQWIKKSGV-ZDUSSCGKSA-N 0 0 309.369 3.185 10 30 DGEERN CC(C)Cc1ccc(S(=O)(=O)NN=Cc2cccs2)cc1 ZINC000254487434 432403781 /nfs/dbraw/zinc/40/37/81/432403781.db2.gz JRZZJVHOVVHPEZ-UHFFFAOYSA-N 0 0 322.455 3.259 10 30 DGEERN CC(C)(C)c1ccc(S(=O)(=O)NN=C2C[C@H]3C=CC[C@@H]23)cc1 ZINC000254533392 432403839 /nfs/dbraw/zinc/40/38/39/432403839.db2.gz RUJXQYGKFDZVAC-IUODEOHRSA-N 0 0 318.442 3.214 10 30 DGEERN Cn1c2ccc(CNc3ccc(CC#N)cc3)cc2sc1=O ZINC000192725768 432405618 /nfs/dbraw/zinc/40/56/18/432405618.db2.gz LSBLTDDNJPXBJG-UHFFFAOYSA-N 0 0 309.394 3.278 10 30 DGEERN C[C@@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccnc1 ZINC000174578512 432358538 /nfs/dbraw/zinc/35/85/38/432358538.db2.gz PKRHQFNUSFQJAR-SNVBAGLBSA-N 0 0 317.295 3.297 10 30 DGEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000153654199 432429958 /nfs/dbraw/zinc/42/99/58/432429958.db2.gz QPVSUELQFPMFEX-GFCCVEGCSA-N 0 0 310.401 3.309 10 30 DGEERN CNC(=O)c1ccc(/C=C2/CCOc3ccc(C)cc3C2=O)cc1 ZINC000192977268 432434855 /nfs/dbraw/zinc/43/48/55/432434855.db2.gz HVNIKVSYZSLTJI-VBKFSLOCSA-N 0 0 321.376 3.403 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)OCC(C)(C)CC#N)C1 ZINC000184820334 432436593 /nfs/dbraw/zinc/43/65/93/432436593.db2.gz DEEIDQDPTBTITG-QWHCGFSZSA-N 0 0 324.421 3.163 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ncccc1Br ZINC000192984147 432436834 /nfs/dbraw/zinc/43/68/34/432436834.db2.gz SBKJRHGESYWUEN-UHFFFAOYSA-N 0 0 323.112 3.035 10 30 DGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)OCC(C)(C)CC#N)C1 ZINC000184820372 432436929 /nfs/dbraw/zinc/43/69/29/432436929.db2.gz DEEIDQDPTBTITG-CHWSQXEVSA-N 0 0 324.421 3.163 10 30 DGEERN CC(C)CC(=O)N1CCC(CSc2cc(C#N)ccn2)CC1 ZINC000184989277 432453588 /nfs/dbraw/zinc/45/35/88/432453588.db2.gz XNSRWMPCKIMUMX-UHFFFAOYSA-N 0 0 317.458 3.330 10 30 DGEERN Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000192766785 432411193 /nfs/dbraw/zinc/41/11/93/432411193.db2.gz XHFVQOSLZBFWTK-CYBMUJFWSA-N 0 0 304.357 3.016 10 30 DGEERN CC(C)COC1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000193473642 432476156 /nfs/dbraw/zinc/47/61/56/432476156.db2.gz FVYNVMZJAUPNTO-UHFFFAOYSA-N 0 0 315.417 3.422 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H]1C(=O)N(CC)CC(=C)C ZINC000154265118 432485887 /nfs/dbraw/zinc/48/58/87/432485887.db2.gz RVSJGDLXOQMNLV-IAGOWNOFSA-N 0 0 320.477 3.252 10 30 DGEERN CC(C)[C@H]1C[C@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000185321464 432491402 /nfs/dbraw/zinc/49/14/02/432491402.db2.gz LNUICEQDWYOKKC-QZTJIDSGSA-N 0 0 312.413 3.220 10 30 DGEERN CC(C)c1ccc(C[C@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193726233 432493715 /nfs/dbraw/zinc/49/37/15/432493715.db2.gz HGYBOMWQECLLOU-AWEZNQCLSA-N 0 0 307.397 3.438 10 30 DGEERN CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000193726218 432493778 /nfs/dbraw/zinc/49/37/78/432493778.db2.gz HGYBOMWQECLLOU-CQSZACIVSA-N 0 0 307.397 3.438 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1 ZINC000185381148 432496616 /nfs/dbraw/zinc/49/66/16/432496616.db2.gz WPVGZRGYWLEFND-HNNXBMFYSA-N 0 0 303.402 3.181 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(CC(=O)OCC)c1ccccc1F ZINC000185446660 432500348 /nfs/dbraw/zinc/50/03/48/432500348.db2.gz IGJLKCUPFKTDMB-CYBMUJFWSA-N 0 0 307.365 3.324 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N(CCC(=O)OC)Cc1ccccc1 ZINC000185128759 432470364 /nfs/dbraw/zinc/47/03/64/432470364.db2.gz GUUKCWOLETWLOC-HNNXBMFYSA-N 0 0 303.402 3.181 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](C)COc1ccccc1OC ZINC000185964225 432550184 /nfs/dbraw/zinc/55/01/84/432550184.db2.gz ILUQGJSMHMYGAM-GJZGRUSLSA-N 0 0 305.418 3.429 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](NC(=O)[C@@H](C)CC(=C)C)C1CC1 ZINC000186027690 432553873 /nfs/dbraw/zinc/55/38/73/432553873.db2.gz FDANRPPGVZQHLL-YQQAZPJKSA-N 0 0 320.477 3.202 10 30 DGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1O ZINC000186025813 432554512 /nfs/dbraw/zinc/55/45/12/432554512.db2.gz SMUCRHQVPZTRHN-NSHDSACASA-N 0 0 323.331 3.157 10 30 DGEERN N#Cc1ccccc1/C=C/C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000176875777 432561560 /nfs/dbraw/zinc/56/15/60/432561560.db2.gz IQQDLHNKBNZSMQ-RTRPANQVSA-N 0 0 324.405 3.233 10 30 DGEERN COc1ccc2c(c1OC)O/C(=C\c1cc(O)cc(F)c1)C2=O ZINC000194591618 432563167 /nfs/dbraw/zinc/56/31/67/432563167.db2.gz ORRWXZHDHCRJSY-AUWJEWJLSA-N 0 0 316.284 3.165 10 30 DGEERN CC[C@H](CC#N)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000193968348 432513879 /nfs/dbraw/zinc/51/38/79/432513879.db2.gz XHVUTGNWHSWPCJ-CYBMUJFWSA-N 0 0 324.446 3.098 10 30 DGEERN CN1C(=O)c2ccc(NCC#Cc3ccc(Cl)cc3)cc2C1=O ZINC000154750005 432518804 /nfs/dbraw/zinc/51/88/04/432518804.db2.gz MYVAMUQOZBFRMS-UHFFFAOYSA-N 0 0 324.767 3.029 10 30 DGEERN C=CCN(CCc1ccco1)C(=O)NCCCc1ccccn1 ZINC000272566659 432524123 /nfs/dbraw/zinc/52/41/23/432524123.db2.gz KMWHWSGYGMEROF-UHFFFAOYSA-N 0 0 313.401 3.048 10 30 DGEERN C=CC1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000176609262 432536304 /nfs/dbraw/zinc/53/63/04/432536304.db2.gz RYQGDGASQRMGQO-UHFFFAOYSA-N 0 0 317.339 3.189 10 30 DGEERN CC(C)Oc1ccc([C@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000176660346 432541735 /nfs/dbraw/zinc/54/17/35/432541735.db2.gz LFZYDBKUSXKGLY-ZDUSSCGKSA-N 0 0 311.385 3.175 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000185873639 432542130 /nfs/dbraw/zinc/54/21/30/432542130.db2.gz MNBRQUUQCUDPLE-AWEZNQCLSA-N 0 0 310.397 3.087 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000185947267 432547981 /nfs/dbraw/zinc/54/79/81/432547981.db2.gz WCJMJEKNEBGZII-OAHLLOKOSA-N 0 0 324.424 3.396 10 30 DGEERN Cc1csc([C@@H]2CN(Cc3ccc(C#N)cc3C)CCO2)n1 ZINC000186193349 432568338 /nfs/dbraw/zinc/56/83/38/432568338.db2.gz YGRCOTGSIYAKHL-INIZCTEOSA-N 0 0 313.426 3.205 10 30 DGEERN C=CC1CCN(C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000155850926 432577579 /nfs/dbraw/zinc/57/75/79/432577579.db2.gz PSAZFHXUUWCYAT-UHFFFAOYSA-N 0 0 319.474 3.325 10 30 DGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000186342706 432584543 /nfs/dbraw/zinc/58/45/43/432584543.db2.gz AOUSXRUUNPCXBX-JTQLQIEISA-N 0 0 302.346 3.060 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000186446700 432595410 /nfs/dbraw/zinc/59/54/10/432595410.db2.gz LXUGHAWKWYNKFA-NSHDSACASA-N 0 0 302.353 3.075 10 30 DGEERN C=CCC[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)C1CC1 ZINC000186668093 432621416 /nfs/dbraw/zinc/62/14/16/432621416.db2.gz VEZDNIGZIWHHBJ-HNNXBMFYSA-N 0 0 320.458 3.165 10 30 DGEERN CCCCCCCC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000187040960 432643565 /nfs/dbraw/zinc/64/35/65/432643565.db2.gz REXASVVXNLBBAK-HZPDHXFCSA-N 0 0 311.466 3.437 10 30 DGEERN N#Cc1c(Cl)nsc1N[C@H]1CCN(c2ccccc2)C1 ZINC000264438732 432646931 /nfs/dbraw/zinc/64/69/31/432646931.db2.gz WJRYPIBBQUDTLA-JTQLQIEISA-N 0 0 304.806 3.359 10 30 DGEERN C=CCOc1cccc(CN2CC[S@@](=O)C(CC)(CC)C2)c1 ZINC000187553704 432669098 /nfs/dbraw/zinc/66/90/98/432669098.db2.gz WNBLJSXLCBGNQL-JOCHJYFZSA-N 0 0 321.486 3.375 10 30 DGEERN CC1(C)CC[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)O1 ZINC000187243920 432654917 /nfs/dbraw/zinc/65/49/17/432654917.db2.gz UWDREBROAMPFQH-HOTGVXAUSA-N 0 0 315.417 3.288 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)CCN(C)C(=O)[C@H](C)CC(=C)C ZINC000274370957 432659342 /nfs/dbraw/zinc/65/93/42/432659342.db2.gz DEXGXDCEUWRAEF-HZPDHXFCSA-N 0 0 308.466 3.108 10 30 DGEERN C=CCC[C@@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000188051697 432700174 /nfs/dbraw/zinc/70/01/74/432700174.db2.gz CIOIFPIDOBLYJV-PKOBYXMFSA-N 0 0 323.440 3.486 10 30 DGEERN COCc1ccccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188251578 432714297 /nfs/dbraw/zinc/71/42/97/432714297.db2.gz JSJDKUWTHFVPPG-UHFFFAOYSA-N 0 0 306.365 3.375 10 30 DGEERN N#Cc1ccc(C2(C(=O)Nc3ccc4nccnc4c3)CC2)cc1 ZINC000188442266 432725477 /nfs/dbraw/zinc/72/54/77/432725477.db2.gz QFXILFKXZUIPPL-UHFFFAOYSA-N 0 0 314.348 3.172 10 30 DGEERN C=C(C)[C@H](NCc1nnc(CC)n1C)c1ccc(F)c(F)c1 ZINC000187771766 432682793 /nfs/dbraw/zinc/68/27/93/432682793.db2.gz KTADDXSXZCAVHL-INIZCTEOSA-N 0 0 306.360 3.063 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000187815144 432685961 /nfs/dbraw/zinc/68/59/61/432685961.db2.gz WZGJPBIPERDMIP-LJQANCHMSA-N 0 0 316.445 3.092 10 30 DGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cn2ccnc2s1 ZINC000188438970 432725747 /nfs/dbraw/zinc/72/57/47/432725747.db2.gz CGBBQGFSZJQKQQ-UHFFFAOYSA-N 0 0 324.409 3.318 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(=O)[C@H](C)CC(=C)C)CC1 ZINC000274638402 432691934 /nfs/dbraw/zinc/69/19/34/432691934.db2.gz SSPGXQIBMCXRTM-IAGOWNOFSA-N 0 0 320.477 3.252 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000188667882 432736661 /nfs/dbraw/zinc/73/66/61/432736661.db2.gz DVFRSDUGZJMIPD-SZVBFZGTSA-N 0 0 317.429 3.204 10 30 DGEERN CC(C)c1nnc(NC(=O)C2(c3ccc(C#N)cc3)CC2)s1 ZINC000188649431 432737967 /nfs/dbraw/zinc/73/79/67/432737967.db2.gz LXKUFFFUXFZFGI-UHFFFAOYSA-N 0 0 312.398 3.203 10 30 DGEERN CCOc1c(F)cccc1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000162299137 432819316 /nfs/dbraw/zinc/81/93/16/432819316.db2.gz KAHJSHHGQCLZCF-HNNXBMFYSA-N 0 0 304.365 3.427 10 30 DGEERN CCNc1nnc(SCc2ccc(OC)c(C#N)c2)s1 ZINC000162271839 432819411 /nfs/dbraw/zinc/81/94/11/432819411.db2.gz HDBZCKCDQRIHFF-UHFFFAOYSA-N 0 0 306.416 3.142 10 30 DGEERN C=CCCN(C)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000276290537 432792874 /nfs/dbraw/zinc/79/28/74/432792874.db2.gz JTEDFFDGOWBIJJ-UHFFFAOYSA-N 0 0 308.451 3.169 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000161752902 432796863 /nfs/dbraw/zinc/79/68/63/432796863.db2.gz TXKMTBRMEPLZKA-DYVFJYSZSA-N 0 0 300.402 3.192 10 30 DGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCOC[C@@H]2C)c1 ZINC000277567520 432861297 /nfs/dbraw/zinc/86/12/97/432861297.db2.gz SGNFSAOTAYLWTN-XJKSGUPXSA-N 0 0 304.390 3.188 10 30 DGEERN C#CCC(CC#C)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000278014712 432880730 /nfs/dbraw/zinc/88/07/30/432880730.db2.gz FBGPNZNUHLRHBT-MRXNPFEDSA-N 0 0 308.425 3.127 10 30 DGEERN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1CCC1 ZINC000329980256 432886291 /nfs/dbraw/zinc/88/62/91/432886291.db2.gz KZFWJXDAILXAQW-GJZGRUSLSA-N 0 0 323.412 3.351 10 30 DGEERN Cc1ncsc1CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330038489 432890352 /nfs/dbraw/zinc/89/03/52/432890352.db2.gz DXTRJAHKAOBXEK-GXTWGEPZSA-N 0 0 303.387 3.081 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000288264950 432890388 /nfs/dbraw/zinc/89/03/88/432890388.db2.gz UJJFGSKLXILKPZ-SFHVURJKSA-N 0 0 322.408 3.168 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccncc1 ZINC000288196335 432890451 /nfs/dbraw/zinc/89/04/51/432890451.db2.gz PEJUAAZXGUEQJO-LJQANCHMSA-N 0 0 321.424 3.248 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000288408612 432891712 /nfs/dbraw/zinc/89/17/12/432891712.db2.gz ZVDROJHZBWUEKK-UHFFFAOYSA-N 0 0 302.805 3.003 10 30 DGEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@@H](C)C1)CCC2 ZINC000330083737 432891758 /nfs/dbraw/zinc/89/17/58/432891758.db2.gz BOVHKMYSDOQZQR-HIFRSBDPSA-N 0 0 304.438 3.105 10 30 DGEERN Cc1ncc2n1CC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C2 ZINC000330122677 432893920 /nfs/dbraw/zinc/89/39/20/432893920.db2.gz HJFGOFUTOWLGFW-HACGYAERSA-N 0 0 300.406 3.183 10 30 DGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCCCC2 ZINC000330158706 432894963 /nfs/dbraw/zinc/89/49/63/432894963.db2.gz QEHAUEDNFQCLHB-BPLDGKMQSA-N 0 0 303.406 3.177 10 30 DGEERN C#Cc1ccc(CNC(=O)NCC2(CCOC)CCCC2)cc1 ZINC000296626476 432923869 /nfs/dbraw/zinc/92/38/69/432923869.db2.gz ZPPRPUONFZDFIK-UHFFFAOYSA-N 0 0 314.429 3.064 10 30 DGEERN C#Cc1ccc(CNC(=O)N(C)Cc2cccc(N(C)C)c2)cc1 ZINC000296716203 432925161 /nfs/dbraw/zinc/92/51/61/432925161.db2.gz IZSAIJYBKXOKPD-UHFFFAOYSA-N 0 0 321.424 3.076 10 30 DGEERN C=C(C)CCc1noc(-c2nc(Br)cs2)n1 ZINC000289269467 432938766 /nfs/dbraw/zinc/93/87/66/432938766.db2.gz RQJPIIPQLIVZON-UHFFFAOYSA-N 0 0 300.181 3.464 10 30 DGEERN C#Cc1ccc(CNC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000296935304 432940602 /nfs/dbraw/zinc/94/06/02/432940602.db2.gz QJGJULPJRQHVDC-AWEZNQCLSA-N 0 0 310.319 3.152 10 30 DGEERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC(C)(C)O2)cs1 ZINC000330194390 432896380 /nfs/dbraw/zinc/89/63/80/432896380.db2.gz ORNXTTNZQQZELT-JSGCOSHPSA-N 0 0 323.462 3.460 10 30 DGEERN C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273580 432901915 /nfs/dbraw/zinc/90/19/15/432901915.db2.gz ZKHGQQPVASDMMY-FGEZKYSXSA-N 0 0 310.344 3.098 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000278803002 432903073 /nfs/dbraw/zinc/90/30/73/432903073.db2.gz RLWHXIDXKWFYDS-NVXWUHKLSA-N 0 0 311.385 3.100 10 30 DGEERN C=CCc1cccc(C(C)C)c1NC[C@@H]1CCS(=O)(=O)C1 ZINC000278812385 432904123 /nfs/dbraw/zinc/90/41/23/432904123.db2.gz QNBLFPFONJICEW-AWEZNQCLSA-N 0 0 307.459 3.385 10 30 DGEERN C#CCOc1ccccc1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000296553954 432922031 /nfs/dbraw/zinc/92/20/31/432922031.db2.gz CAIWGYMLJVGIOI-ZBFHGGJFSA-N 0 0 320.339 3.208 10 30 DGEERN C=CCCCNC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000279471136 432972801 /nfs/dbraw/zinc/97/28/01/432972801.db2.gz GFIILVDYLXQCTD-CZUORRHYSA-N 0 0 306.381 3.263 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C2CC2)n(C)n1 ZINC000289793813 432974465 /nfs/dbraw/zinc/97/44/65/432974465.db2.gz LYQVTZJOIGBCCX-INIZCTEOSA-N 0 0 322.412 3.054 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000290092039 432990696 /nfs/dbraw/zinc/99/06/96/432990696.db2.gz LMIFKADATMKLJM-UKRRQHHQSA-N 0 0 306.312 3.387 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000297560887 432999211 /nfs/dbraw/zinc/99/92/11/432999211.db2.gz CSCWTMCEKRKQJG-QGZVFWFLSA-N 0 0 316.445 3.267 10 30 DGEERN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(C#N)n1C ZINC000450566311 289071487 /nfs/dbraw/zinc/07/14/87/289071487.db2.gz VHKIBHXTFUNMPR-NWDGAFQWSA-N 0 0 311.360 3.184 10 30 DGEERN N#Cc1ccc(CCC(=O)NCc2ccn(C3CCCC3)n2)cc1 ZINC000156635311 292732821 /nfs/dbraw/zinc/73/28/21/292732821.db2.gz QDVAOSKUIDHSCP-UHFFFAOYSA-N 0 0 322.412 3.119 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)nc(-c2ccccn2)n1 ZINC000280520367 433068824 /nfs/dbraw/zinc/06/88/24/433068824.db2.gz DUGLBWPSBXMCQO-WMLDXEAASA-N 0 0 310.401 3.240 10 30 DGEERN C=CCC(C)(C)CN1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O ZINC000419944556 433086478 /nfs/dbraw/zinc/08/64/78/433086478.db2.gz RGFUFDBRHJLUTD-UHFFFAOYSA-N 0 0 322.355 3.331 10 30 DGEERN C=CCc1ccc(OCc2nc(C3(C)CC3)no2)c(OC)c1 ZINC000453322250 433089328 /nfs/dbraw/zinc/08/93/28/433089328.db2.gz OQUNSQVGFOYBFZ-UHFFFAOYSA-N 0 0 300.358 3.437 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2ccccc2OC2CCC2)C1=O ZINC000419980815 433092580 /nfs/dbraw/zinc/09/25/80/433092580.db2.gz RJYARQQQURUWHF-OAHLLOKOSA-N 0 0 314.385 3.005 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000290548679 433092721 /nfs/dbraw/zinc/09/27/21/433092721.db2.gz OVGPAHIOKLWSCM-UONOGXRCSA-N 0 0 316.449 3.441 10 30 DGEERN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000298331890 433096317 /nfs/dbraw/zinc/09/63/17/433096317.db2.gz ZIGJBIVPDPETQC-DYVFJYSZSA-N 0 0 321.852 3.387 10 30 DGEERN C=C(C)[C@@H](CC(=O)Nc1ccc2cc[nH]c(=O)c2c1)OCC ZINC000425109799 433097362 /nfs/dbraw/zinc/09/73/62/433097362.db2.gz AFHBHJDXNKGXMC-OAHLLOKOSA-N 0 0 300.358 3.250 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNc1nc(-c2ccccc2F)cs1 ZINC000425264518 433139162 /nfs/dbraw/zinc/13/91/62/433139162.db2.gz PJDYKMANNXYZAN-NHYWBVRUSA-N 0 0 304.390 3.952 10 30 DGEERN N#Cc1c(C#N)c(N[C@@H]2CCCOC2)nc2c1CCCCCC2 ZINC000280718115 433148139 /nfs/dbraw/zinc/14/81/39/433148139.db2.gz LZGYTZHBDQAEBX-CYBMUJFWSA-N 0 0 310.401 3.075 10 30 DGEERN C=CCCc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000412319370 433151889 /nfs/dbraw/zinc/15/18/89/433151889.db2.gz JEZVGOJXLDTFPC-LSDHHAIUSA-N 0 0 301.386 3.333 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425120013 433101046 /nfs/dbraw/zinc/10/10/46/433101046.db2.gz NTXHXTYDTUGNPX-QGZVFWFLSA-N 0 0 300.358 3.108 10 30 DGEERN C=C[C@](C)(O)CC(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000425329227 433169635 /nfs/dbraw/zinc/16/96/35/433169635.db2.gz QGCFXLVGARIGNP-AEFFLSMTSA-N 0 0 307.409 3.178 10 30 DGEERN C=CC[C@H]1N(c2nnc([C@]3(C)CCCO3)n2C)CCCC1(C)C ZINC000453424610 433175495 /nfs/dbraw/zinc/17/54/95/433175495.db2.gz KMERTBKSJAZEOI-KDOFPFPSSA-N 0 0 318.465 3.412 10 30 DGEERN C=CCn1c(N2CCc3ccccc32)nnc1[C@]1(C)CCCO1 ZINC000453439911 433188160 /nfs/dbraw/zinc/18/81/60/433188160.db2.gz MLORVVTWYKDDEI-SFHVURJKSA-N 0 0 310.401 3.184 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCc2c(F)cc(F)cc21 ZINC000447359755 433189435 /nfs/dbraw/zinc/18/94/35/433189435.db2.gz RBFYLBASJFCZRY-CZUORRHYSA-N 0 0 307.340 3.225 10 30 DGEERN N#CC1(c2ccccn2)CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000374457381 433195131 /nfs/dbraw/zinc/19/51/31/433195131.db2.gz UBMOGEIMQQPNRJ-UHFFFAOYSA-N 0 0 321.380 3.250 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@H]1c1ccc(F)cc1F ZINC000453456880 433195876 /nfs/dbraw/zinc/19/58/76/433195876.db2.gz YWZHNLAZSPIXQC-HNNXBMFYSA-N 0 0 304.344 3.392 10 30 DGEERN CC(C)C[C@](C)(C#N)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447447013 433201696 /nfs/dbraw/zinc/20/16/96/433201696.db2.gz ITPIMSRGVZFLMI-GOSISDBHSA-N 0 0 322.368 3.271 10 30 DGEERN Cn1c(=O)ccc2ccc(NCC#Cc3ccc(F)cc3)cc21 ZINC000447409604 433201938 /nfs/dbraw/zinc/20/19/38/433201938.db2.gz WQJAITYGEHDFBN-UHFFFAOYSA-N 0 0 306.340 3.141 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291110768 433225552 /nfs/dbraw/zinc/22/55/52/433225552.db2.gz FJYHSEOGLFVVHQ-PXNSSMCTSA-N 0 0 315.457 3.433 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCC)Cc1ccccc1 ZINC000425448673 433248946 /nfs/dbraw/zinc/24/89/46/433248946.db2.gz RYPPQUWBEWPJGY-KSZLIROESA-N 0 0 316.445 3.288 10 30 DGEERN C=CC[C@H](CO)CNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000447691449 433258481 /nfs/dbraw/zinc/25/84/81/433258481.db2.gz RNRMZZUDPAWQLT-AWEZNQCLSA-N 0 0 309.413 3.248 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)OCC)cc1 ZINC000291608239 433284522 /nfs/dbraw/zinc/28/45/22/433284522.db2.gz YVBAVARMSGBIHZ-UHFFFAOYSA-N 0 0 315.291 3.054 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000281321750 433286888 /nfs/dbraw/zinc/28/68/88/433286888.db2.gz QASJMKGLWMJHPA-NSHDSACASA-N 0 0 316.323 3.241 10 30 DGEERN C=CCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCOCC1 ZINC000425559996 433302124 /nfs/dbraw/zinc/30/21/24/433302124.db2.gz HUQKDYFCISMDCB-OAHLLOKOSA-N 0 0 318.804 3.394 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000425571344 433305189 /nfs/dbraw/zinc/30/51/89/433305189.db2.gz HTZZZWYBUGGCLZ-PVAVHDDUSA-N 0 0 302.418 3.289 10 30 DGEERN C=CCCCN(C)C(=O)c1nc(C2CC2)ncc1Br ZINC000291662045 433305620 /nfs/dbraw/zinc/30/56/20/433305620.db2.gz BOYHKANWRLOOQF-UHFFFAOYSA-N 0 0 324.222 3.155 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000425566949 433306057 /nfs/dbraw/zinc/30/60/57/433306057.db2.gz CJYJTATXTAGXER-XEZPLFJOSA-N 0 0 306.381 3.119 10 30 DGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1OC ZINC000281496567 433307482 /nfs/dbraw/zinc/30/74/82/433307482.db2.gz QLHHZAJUEFPLKL-ZQIUZPCESA-N 0 0 318.417 3.037 10 30 DGEERN C=CCCCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000448030654 433353205 /nfs/dbraw/zinc/35/32/05/433353205.db2.gz MSQMTYAFTZHZMV-UHFFFAOYSA-N 0 0 321.490 3.104 10 30 DGEERN C=CCSCCNC(=O)Nc1cc(OC)c(OC)cc1C ZINC000299314899 433361310 /nfs/dbraw/zinc/36/13/10/433361310.db2.gz KHBMEYLNMQEOGG-UHFFFAOYSA-N 0 0 310.419 3.053 10 30 DGEERN C#CCCNC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000375106326 433362543 /nfs/dbraw/zinc/36/25/43/433362543.db2.gz UBQZHWLDMYOMGR-UHFFFAOYSA-N 0 0 304.340 3.177 10 30 DGEERN C=C(C)CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000454296504 433363665 /nfs/dbraw/zinc/36/36/65/433363665.db2.gz GAYMTXZKWYRUPF-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc(OCC)cc1 ZINC000299324541 433364737 /nfs/dbraw/zinc/36/47/37/433364737.db2.gz YQJBECRSJPUBMJ-UHFFFAOYSA-N 0 0 301.308 3.205 10 30 DGEERN C=CCCCNC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000448249464 433378045 /nfs/dbraw/zinc/37/80/45/433378045.db2.gz OKUDPRQKPQZRIE-UHFFFAOYSA-N 0 0 318.417 3.344 10 30 DGEERN C=CCCCNC(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000448250684 433378185 /nfs/dbraw/zinc/37/81/85/433378185.db2.gz XJOGWTUFFCBKOX-INIZCTEOSA-N 0 0 301.434 3.263 10 30 DGEERN C=CCCCNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000447954624 433330839 /nfs/dbraw/zinc/33/08/39/433330839.db2.gz MBGJDHGPWHRSQR-HOTGVXAUSA-N 0 0 306.381 3.311 10 30 DGEERN C=CCCCNC(=O)NC[C@@H](OC(C)C)c1ccccc1OC ZINC000447985765 433336321 /nfs/dbraw/zinc/33/63/21/433336321.db2.gz AOBWWSGBKGDIMV-QGZVFWFLSA-N 0 0 320.433 3.427 10 30 DGEERN C=CCCCNC(=O)NCc1cc(F)ccc1Br ZINC000447979132 433337903 /nfs/dbraw/zinc/33/79/03/433337903.db2.gz UPPXDGBPOWJOGZ-UHFFFAOYSA-N 0 0 315.186 3.354 10 30 DGEERN C=CCCCNC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000447981143 433338823 /nfs/dbraw/zinc/33/88/23/433338823.db2.gz ZFKYSLWOOPVPRS-ZDUSSCGKSA-N 0 0 304.390 3.002 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)CC(C)(C)C ZINC000413992790 433340730 /nfs/dbraw/zinc/34/07/30/433340730.db2.gz YMDHMBKKSKXGER-IAGOWNOFSA-N 0 0 303.446 3.477 10 30 DGEERN C=C[C@](C)(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)OC)c1 ZINC000425963163 433385268 /nfs/dbraw/zinc/38/52/68/433385268.db2.gz BMJXSSFJKAZBIC-QGZVFWFLSA-N 0 0 300.358 3.495 10 30 DGEERN C=CCCCNC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000448388017 433402885 /nfs/dbraw/zinc/40/28/85/433402885.db2.gz YMMXKDKYPPBCEK-UHFFFAOYSA-N 0 0 308.451 3.004 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000361842889 433417756 /nfs/dbraw/zinc/41/77/56/433417756.db2.gz KLYAKKVVEDFOSM-INIZCTEOSA-N 0 0 310.401 3.481 10 30 DGEERN CC(C)OC(=O)N1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000301235688 433462241 /nfs/dbraw/zinc/46/22/41/433462241.db2.gz LQKUJFBMHNVVGQ-UHFFFAOYSA-N 0 0 323.343 3.258 10 30 DGEERN N#Cc1ccc(NCCOc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000301213360 433456200 /nfs/dbraw/zinc/45/62/00/433456200.db2.gz YMWJSAQJVJLFJT-UHFFFAOYSA-N 0 0 319.267 3.236 10 30 DGEERN CC(C)OC(=O)N1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000301273513 433482041 /nfs/dbraw/zinc/48/20/41/433482041.db2.gz YNDOHGITYTZLNV-UHFFFAOYSA-N 0 0 322.796 3.028 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282176639 433519522 /nfs/dbraw/zinc/51/95/22/433519522.db2.gz OEURHIXGRRZCEG-HUUCEWRRSA-N 0 0 316.449 3.073 10 30 DGEERN Cn1c(C#N)ccc1C(=O)Nc1ccccc1OC1CCCC1 ZINC000448734317 433523672 /nfs/dbraw/zinc/52/36/72/433523672.db2.gz IEJZTLLSJJZFJL-UHFFFAOYSA-N 0 0 309.369 3.470 10 30 DGEERN C#CCC1(C(=O)N2CCC=C(Br)C2)CCCCC1 ZINC000282089418 433490599 /nfs/dbraw/zinc/49/05/99/433490599.db2.gz DMVQEMNTOSHEBT-UHFFFAOYSA-N 0 0 310.235 3.471 10 30 DGEERN C=CCOc1ccc(C[NH2+]C[C@@H](CC)CC(=O)[O-])cc1Cl ZINC000426652366 433551723 /nfs/dbraw/zinc/55/17/23/433551723.db2.gz SPKORGNLKASAGS-LBPRGKRZSA-N 0 0 311.809 3.495 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000448824665 433569804 /nfs/dbraw/zinc/56/98/04/433569804.db2.gz PEXZFZNRAVYCQT-UHFFFAOYSA-N 0 0 323.217 3.199 10 30 DGEERN N#Cc1cc(NC[C@H]2CCC[C@H]2O)nc2ccc(Cl)cc12 ZINC000301476116 433572701 /nfs/dbraw/zinc/57/27/01/433572701.db2.gz STVWGEBCICDVPC-MEBBXXQBSA-N 0 0 301.777 3.333 10 30 DGEERN Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1OCC(F)F ZINC000448871038 433588638 /nfs/dbraw/zinc/58/86/38/433588638.db2.gz DCZLVDJJTNSTNA-UHFFFAOYSA-N 0 0 319.311 3.101 10 30 DGEERN C=CCN1CC[C@H](N2CC[C@@H](C(F)(F)F)c3ccccc32)C1=O ZINC000292751930 433592151 /nfs/dbraw/zinc/59/21/51/433592151.db2.gz NWYSKVNNECCOCE-HIFRSBDPSA-N 0 0 324.346 3.330 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000362146542 433545728 /nfs/dbraw/zinc/54/57/28/433545728.db2.gz MYKWLOJYGRFFMV-UKRRQHHQSA-N 0 0 300.406 3.145 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000362301733 433631188 /nfs/dbraw/zinc/63/11/88/433631188.db2.gz UEMWFBQQAKORJX-NVXWUHKLSA-N 0 0 302.418 3.192 10 30 DGEERN Cc1ccc(C#N)c(N[C@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000161799040 292841987 /nfs/dbraw/zinc/84/19/87/292841987.db2.gz JHKGHQYPEMYNSJ-ZDUSSCGKSA-N 0 0 314.339 3.231 10 30 DGEERN C=CCc1cc(CN2CCO[C@@H](C3CCC3)C2)cc(OC)c1O ZINC000414467436 433633801 /nfs/dbraw/zinc/63/38/01/433633801.db2.gz BDXQXNZKIRGRDK-GOSISDBHSA-N 0 0 317.429 3.130 10 30 DGEERN C#CCCCCC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282458888 433609906 /nfs/dbraw/zinc/60/99/06/433609906.db2.gz VYOYBDMOQRYZGL-INIZCTEOSA-N 0 0 313.445 3.119 10 30 DGEERN C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414517390 433684399 /nfs/dbraw/zinc/68/43/99/433684399.db2.gz REDGXKINHKTILV-STQMWFEESA-N 0 0 316.430 3.035 10 30 DGEERN Cc1cnn(-c2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2)c1 ZINC000361947603 292985973 /nfs/dbraw/zinc/98/59/73/292985973.db2.gz LUGWTLXHXRYMLN-SFHVURJKSA-N 0 0 310.401 3.239 10 30 DGEERN Cc1cnccc1OC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000376046657 433650141 /nfs/dbraw/zinc/65/01/41/433650141.db2.gz QVNULFHAFIBYEL-UHFFFAOYSA-N 0 0 307.397 3.305 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414538670 433700844 /nfs/dbraw/zinc/70/08/44/433700844.db2.gz MJFHVHVEUFDBGA-MRXNPFEDSA-N 0 0 318.465 3.058 10 30 DGEERN CC(=O)c1ccsc1NCC(=O)Nc1ccc(CC#N)cc1 ZINC000427419439 433706876 /nfs/dbraw/zinc/70/68/76/433706876.db2.gz FDTQUDVTZCADEF-UHFFFAOYSA-N 0 0 313.382 3.067 10 30 DGEERN Cc1cc(Nc2ccc(CN3CCCC3=O)cc2)c(C#N)c(C)n1 ZINC000301754894 433706901 /nfs/dbraw/zinc/70/69/01/433706901.db2.gz CTVZFWYHLRDCHU-UHFFFAOYSA-N 0 0 320.396 3.436 10 30 DGEERN N#Cc1cnccc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000373458591 293277370 /nfs/dbraw/zinc/27/73/70/293277370.db2.gz GVXXDICGPPYCSG-LBPRGKRZSA-N 0 0 305.790 3.246 10 30 DGEERN C=CCCCCCN(C)C(=O)C(=O)N(CC)C1CC(C)(C)C1 ZINC000414611316 433741976 /nfs/dbraw/zinc/74/19/76/433741976.db2.gz NREDSDYTISPFSH-UHFFFAOYSA-N 0 0 308.466 3.228 10 30 DGEERN COC(=O)CSc1ccc(Oc2cccc(C#N)n2)cc1 ZINC000301825857 433746005 /nfs/dbraw/zinc/74/60/05/433746005.db2.gz IYCIWPPBORLYBE-UHFFFAOYSA-N 0 0 300.339 3.011 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000456673489 433770621 /nfs/dbraw/zinc/77/06/21/433770621.db2.gz TXIOZZRKBZUNDS-ZJIFWQFVSA-N 0 0 319.449 3.099 10 30 DGEERN C=C[C@@H](C)NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000362691395 433824262 /nfs/dbraw/zinc/82/42/62/433824262.db2.gz JRWSADKLXBATRF-MRVPVSSYSA-N 0 0 308.288 3.370 10 30 DGEERN N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339783988 433781788 /nfs/dbraw/zinc/78/17/88/433781788.db2.gz SUFGGZMIEORIQR-MSOLQXFVSA-N 0 0 314.335 3.144 10 30 DGEERN C=CCOc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1OC ZINC000356967114 433789594 /nfs/dbraw/zinc/78/95/94/433789594.db2.gz DZQBXRAPCZAHNQ-UHFFFAOYSA-N 0 0 314.385 3.026 10 30 DGEERN CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C)(C#N)CC2)c1C(C)C ZINC000356974322 433793965 /nfs/dbraw/zinc/79/39/65/433793965.db2.gz MNMHVPIAHWHCIM-UHFFFAOYSA-N 0 0 315.417 3.415 10 30 DGEERN C=CCC[C@@H](CO)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000456759283 433810716 /nfs/dbraw/zinc/81/07/16/433810716.db2.gz FEQJLHHBNFJPPN-BPCQOVAHSA-N 0 0 307.356 3.189 10 30 DGEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000302164305 433817492 /nfs/dbraw/zinc/81/74/92/433817492.db2.gz OMVRFBCEBNEZRR-LLVKDONJSA-N 0 0 316.279 3.395 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000376795934 433818938 /nfs/dbraw/zinc/81/89/38/433818938.db2.gz ANNJUZXMRZAEPI-UHFFFAOYSA-N 0 0 320.392 3.197 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000362694573 433827477 /nfs/dbraw/zinc/82/74/77/433827477.db2.gz LFSGZAJYEDPDCA-XVKPBYJWSA-N 0 0 301.173 3.301 10 30 DGEERN C=CCC1(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)CCC1 ZINC000377022782 433842602 /nfs/dbraw/zinc/84/26/02/433842602.db2.gz HCPOKXUCUOVIDB-ZDUSSCGKSA-N 0 0 302.422 3.051 10 30 DGEERN C[C@H](CN1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000377010931 433844593 /nfs/dbraw/zinc/84/45/93/433844593.db2.gz WTNNANPOWSVLMI-DYVFJYSZSA-N 0 0 303.837 3.116 10 30 DGEERN CCOc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1OC ZINC000302754810 433854282 /nfs/dbraw/zinc/85/42/82/433854282.db2.gz WHAKPVAEFUBACZ-UHFFFAOYSA-N 0 0 314.301 3.012 10 30 DGEERN C=CCC1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCCCC1 ZINC000449924873 433872383 /nfs/dbraw/zinc/87/23/83/433872383.db2.gz RWDPGWCCYOKWKJ-AWEZNQCLSA-N 0 0 305.340 3.039 10 30 DGEERN C[C@H](Nc1cccc(C#N)n1)C1CCN(CC(F)(F)F)CC1 ZINC000302904542 433904735 /nfs/dbraw/zinc/90/47/35/433904735.db2.gz VESODLYVHVSAGV-NSHDSACASA-N 0 0 312.339 3.028 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000450000074 433920623 /nfs/dbraw/zinc/92/06/23/433920623.db2.gz RGTCLSGVZSSZSA-OJLVUWQFSA-N 0 0 303.402 3.479 10 30 DGEERN N#Cc1c(Br)cccc1NCC[C@@H](O)C(F)(F)F ZINC000357265159 433931360 /nfs/dbraw/zinc/93/13/60/433931360.db2.gz RRESPRHBPYWUQT-SNVBAGLBSA-N 0 0 323.112 3.046 10 30 DGEERN C=CCC1(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CCCC1 ZINC000449961825 433893314 /nfs/dbraw/zinc/89/33/14/433893314.db2.gz RICGSPWVHUXMGW-ZDUSSCGKSA-N 0 0 303.450 3.221 10 30 DGEERN CC(=O)N1CCc2cc(Nc3ccc(C#N)c([N+](=O)[O-])c3)ccc21 ZINC000357298858 433942931 /nfs/dbraw/zinc/94/29/31/433942931.db2.gz INJZONOUOQITFS-UHFFFAOYSA-N 0 0 322.324 3.119 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000377758275 433983521 /nfs/dbraw/zinc/98/35/21/433983521.db2.gz CFJAKYDPWPDDQK-UHFFFAOYSA-N 0 0 300.362 3.475 10 30 DGEERN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C#N)ccn1 ZINC000357421474 434009472 /nfs/dbraw/zinc/00/94/72/434009472.db2.gz DUSKEVAHZKIJSN-UHFFFAOYSA-N 0 0 304.309 3.169 10 30 DGEERN C=CCN(Cc1ccccc1)C(=O)c1ccnn1CC(F)(F)F ZINC000294200224 434036215 /nfs/dbraw/zinc/03/62/15/434036215.db2.gz BRHUHWZXOYDWFG-UHFFFAOYSA-N 0 0 323.318 3.274 10 30 DGEERN N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340235726 434000191 /nfs/dbraw/zinc/00/01/91/434000191.db2.gz JHGJJBOKKDBVQZ-QAPCUYQASA-N 0 0 314.335 3.144 10 30 DGEERN C=CCCCC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 ZINC000378054308 434069345 /nfs/dbraw/zinc/06/93/45/434069345.db2.gz MEXAMTZTNZTILD-UHFFFAOYSA-N 0 0 303.402 3.061 10 30 DGEERN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000378057217 434071383 /nfs/dbraw/zinc/07/13/83/434071383.db2.gz KCLJUYAGSNUSED-INIZCTEOSA-N 0 0 324.428 3.055 10 30 DGEERN N#Cc1cccc(Nc2ccc(N3CCCC3)nc2)c1[N+](=O)[O-] ZINC000450244244 434053801 /nfs/dbraw/zinc/05/38/01/434053801.db2.gz OWVACNHMHYWHHI-UHFFFAOYSA-N 0 0 309.329 3.205 10 30 DGEERN C#Cc1ccccc1CC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000378023466 434058927 /nfs/dbraw/zinc/05/89/27/434058927.db2.gz GFHBIKFKIVFQRJ-GOSISDBHSA-N 0 0 305.377 3.159 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(COC)c1 ZINC000285951138 434115037 /nfs/dbraw/zinc/11/50/37/434115037.db2.gz VLYODAAKEAWWBW-LJQANCHMSA-N 0 0 307.393 3.197 10 30 DGEERN C=C(C)COc1cccc(NC(=O)C[C@H]2CCOC[C@@H]2OC)c1 ZINC000294495167 434116380 /nfs/dbraw/zinc/11/63/80/434116380.db2.gz GPFXOSCHMCUGQL-PBHICJAKSA-N 0 0 319.401 3.022 10 30 DGEERN C=CC(C)(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000294637751 434122258 /nfs/dbraw/zinc/12/22/58/434122258.db2.gz STZMGWRXBJZZEC-UHFFFAOYSA-N 0 0 302.349 3.352 10 30 DGEERN C=CCCCN(C)C(=O)Cc1sccc1Br ZINC000294906802 434149123 /nfs/dbraw/zinc/14/91/23/434149123.db2.gz JRNVWIXAGWBFGT-UHFFFAOYSA-N 0 0 302.237 3.478 10 30 DGEERN C#CCCNC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000364153715 434250377 /nfs/dbraw/zinc/25/03/77/434250377.db2.gz OWXNJOOZGMDWFJ-CYBMUJFWSA-N 0 0 310.319 3.228 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(OCCO)c(C)c2)CCCC1 ZINC000450533794 434250569 /nfs/dbraw/zinc/25/05/69/434250569.db2.gz XIFGTQHITXTMQI-UHFFFAOYSA-N 0 0 303.402 3.441 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC000437478439 434268378 /nfs/dbraw/zinc/26/83/78/434268378.db2.gz BWPNYUOACLUVAX-BZNIZROVSA-N 0 0 303.333 3.283 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCc1cc(F)ccc1F ZINC000437492578 434271687 /nfs/dbraw/zinc/27/16/87/434271687.db2.gz JJNPDJVUBIFFTF-KBXCAEBGSA-N 0 0 323.383 3.385 10 30 DGEERN C=CCOCCNC(=O)NC(c1cccs1)c1cccs1 ZINC000378595280 434230996 /nfs/dbraw/zinc/23/09/96/434230996.db2.gz OEEMTIDCFKQYSQ-UHFFFAOYSA-N 0 0 322.455 3.401 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000364642026 434278674 /nfs/dbraw/zinc/27/86/74/434278674.db2.gz ZBXFELFHJSDFOW-MOPGFXCFSA-N 0 0 301.430 3.405 10 30 DGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328644473 434292049 /nfs/dbraw/zinc/29/20/49/434292049.db2.gz GPZJMRPHULAGFD-FZMZJTMJSA-N 0 0 320.437 3.214 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000437571818 434293697 /nfs/dbraw/zinc/29/36/97/434293697.db2.gz UPBXCCMRKYMVSV-GOSISDBHSA-N 0 0 318.417 3.448 10 30 DGEERN C=CCN(C(=O)Nc1ccc(F)cc1-c1cnn(C)c1)C1CC1 ZINC000365455239 434299850 /nfs/dbraw/zinc/29/98/50/434299850.db2.gz COGNEBGPVWZFID-UHFFFAOYSA-N 0 0 314.364 3.409 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(C)o1 ZINC000287209750 434310030 /nfs/dbraw/zinc/31/00/30/434310030.db2.gz DWHAPSDHDNOXPW-KRWDZBQOSA-N 0 0 310.397 3.364 10 30 DGEERN N#Cc1cc(Br)cnc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000386460317 434315259 /nfs/dbraw/zinc/31/52/59/434315259.db2.gz FVALSPFMOXEBNE-QWRGUYRKSA-N 0 0 306.207 3.342 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccnc1 ZINC000287284400 434323722 /nfs/dbraw/zinc/32/37/22/434323722.db2.gz VRXHAUMLWHGDSI-YJBOKZPZSA-N 0 0 307.397 3.076 10 30 DGEERN Cc1cnn(CCNc2cc(Br)c(C#N)cc2F)c1 ZINC000388244637 434330110 /nfs/dbraw/zinc/33/01/10/434330110.db2.gz YVQHYNSCHFAFGW-UHFFFAOYSA-N 0 0 323.169 3.077 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1cc(C)ccc1C ZINC000437934478 434369256 /nfs/dbraw/zinc/36/92/56/434369256.db2.gz PWMRZCPKDSNKLD-AEFFLSMTSA-N 0 0 316.445 3.426 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCSCC[C@H]1C ZINC000287471502 434370726 /nfs/dbraw/zinc/37/07/26/434370726.db2.gz RUGTUQIIKVVGFB-WBVHZDCISA-N 0 0 316.470 3.158 10 30 DGEERN CN(Cc1cc[nH]n1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000329232157 434377613 /nfs/dbraw/zinc/37/76/13/434377613.db2.gz FUSRZQZCLWUUIL-UHFFFAOYSA-N 0 0 316.449 3.362 10 30 DGEERN Cc1noc(C)c1C[C@H](C)NC(=O)C[C@H]1CCCCNC1=O ZINC000329280669 434385535 /nfs/dbraw/zinc/38/55/35/434385535.db2.gz MEEMYLVIAGVAEH-GXFFZTMASA-N 0 0 307.394 3.326 10 30 DGEERN O=C(C[C@@H]1C=CCC1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000329278746 434386003 /nfs/dbraw/zinc/38/60/03/434386003.db2.gz MCVWIFVGXNYGOU-BNOWGMLFSA-N 0 0 317.389 3.480 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287328451 434337045 /nfs/dbraw/zinc/33/70/45/434337045.db2.gz MMNSCJOZGKNVMC-FQEVSTJZSA-N 0 0 320.436 3.113 10 30 DGEERN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCSC[C@@H](C)C1 ZINC000287541225 434390854 /nfs/dbraw/zinc/39/08/54/434390854.db2.gz VYRVUGPPBGEQTN-RDJZCZTQSA-N 0 0 316.470 3.016 10 30 DGEERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000366179588 434348678 /nfs/dbraw/zinc/34/86/78/434348678.db2.gz DXVWIFWYINHUCG-CVYDXHPNSA-N 0 0 304.434 3.267 10 30 DGEERN C#CCC(CC#C)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000287398535 434354270 /nfs/dbraw/zinc/35/42/70/434354270.db2.gz MMSYTAWAEZONRG-UHFFFAOYSA-N 0 0 311.400 3.270 10 30 DGEERN Cc1ncn(-c2ccc(NC(=O)c3ccc(C#N)o3)cc2)c1C ZINC000358157965 434356121 /nfs/dbraw/zinc/35/61/21/434356121.db2.gz SGXSTOTUYKLJLC-UHFFFAOYSA-N 0 0 306.325 3.206 10 30 DGEERN C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1[C@H]1CCCO1 ZINC000295888953 434444197 /nfs/dbraw/zinc/44/41/97/434444197.db2.gz FVGGUZIMWYCGJL-OAHLLOKOSA-N 0 0 314.389 3.458 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000438055787 434392124 /nfs/dbraw/zinc/39/21/24/434392124.db2.gz PJOGZPIJHPKZGG-MSOLQXFVSA-N 0 0 316.445 3.426 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000417449672 434394475 /nfs/dbraw/zinc/39/44/75/434394475.db2.gz BYPJDXXYRMJFKF-ZNMIVQPWSA-N 0 0 314.433 3.323 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000417449670 434394886 /nfs/dbraw/zinc/39/48/86/434394886.db2.gz BYPJDXXYRMJFKF-RRFJBIMHSA-N 0 0 314.433 3.323 10 30 DGEERN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000358573111 434398440 /nfs/dbraw/zinc/39/84/40/434398440.db2.gz QSBKSUWVGLVJGY-HWPZZCPQSA-N 0 0 320.314 3.360 10 30 DGEERN O=C(Nc1cccc(C2CCC2)c1)N1CCc2cncnc2C1 ZINC000329641943 434447928 /nfs/dbraw/zinc/44/79/28/434447928.db2.gz YDJIMVMIEHVLEB-UHFFFAOYSA-N 0 0 308.385 3.348 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000417498123 434412584 /nfs/dbraw/zinc/41/25/84/434412584.db2.gz FIKLRUVIVKKZAX-LJISPDSOSA-N 0 0 304.438 3.186 10 30 DGEERN COc1ccc(C)cc1[C@H](C)NC(=O)N1CCOCC2(CC2)C1 ZINC000329480210 434418028 /nfs/dbraw/zinc/41/80/28/434418028.db2.gz VMQAQFUMMRIROW-AWEZNQCLSA-N 0 0 318.417 3.091 10 30 DGEERN Cc1nnc([C@H](C)NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000329550826 434428911 /nfs/dbraw/zinc/42/89/11/434428911.db2.gz AHJFBUBQRCWIGL-CABZTGNLSA-N 0 0 306.435 3.086 10 30 DGEERN C=C(Cl)CNC(=O)CCc1cccc(F)c1Br ZINC000295856048 434440833 /nfs/dbraw/zinc/44/08/33/434440833.db2.gz OBAQMKGJKMZFDQ-UHFFFAOYSA-N 0 0 320.589 3.390 10 30 DGEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329604479 434440996 /nfs/dbraw/zinc/44/09/96/434440996.db2.gz GUNVOJBPTLISBU-UXIGCNINSA-N 0 0 302.422 3.496 10 30 DGEERN O=C(N[C@@H]1CCCCC12CCCC2)[C@@H]1CCc2n[nH]nc2C1 ZINC000329736632 434470505 /nfs/dbraw/zinc/47/05/05/434470505.db2.gz LOLBXEYXRAYJPR-IUODEOHRSA-N 0 0 302.422 3.369 10 30 DGEERN C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000417629687 434476839 /nfs/dbraw/zinc/47/68/39/434476839.db2.gz SRCFBTKYQUIBNQ-ZDUSSCGKSA-N 0 0 306.362 3.227 10 30 DGEERN CN(Cc1ccc(Br)cc1)c1ccncc1C#N ZINC000399483881 434479395 /nfs/dbraw/zinc/47/93/95/434479395.db2.gz CVRIOUFALFARDT-UHFFFAOYSA-N 0 0 302.175 3.352 10 30 DGEERN C#CCC(CC#C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000287954309 434488189 /nfs/dbraw/zinc/48/81/89/434488189.db2.gz GWOZGVGGKXUHDH-UHFFFAOYSA-N 0 0 309.369 3.325 10 30 DGEERN C=CCCOCCCCC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000438508366 434496041 /nfs/dbraw/zinc/49/60/41/434496041.db2.gz XUCOWJOZNRPTPD-SFHVURJKSA-N 0 0 311.466 3.197 10 30 DGEERN CC[C@H](NC(=O)N1CCO[C@H](C2CCCCC2)C1)[C@H]1CCCO1 ZINC000329663744 434452192 /nfs/dbraw/zinc/45/21/92/434452192.db2.gz JNJJLHIHRXHMSE-BBWFWOEESA-N 0 0 324.465 3.139 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)[C@@H](C)COC ZINC000360104437 434519952 /nfs/dbraw/zinc/51/99/52/434519952.db2.gz LEGBQCTWKSLSHQ-KBPBESRZSA-N 0 0 320.389 3.028 10 30 DGEERN CC1(C)CCCN(C(=O)c2csc(C(F)(F)F)n2)[C@H]1C#N ZINC000408021904 434536900 /nfs/dbraw/zinc/53/69/00/434536900.db2.gz KEYMLHACANUABB-VIFPVBQESA-N 0 0 317.336 3.316 10 30 DGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NCCC1CCCCC1 ZINC000451036276 434542485 /nfs/dbraw/zinc/54/24/85/434542485.db2.gz FCXISITUAOUYFL-UHFFFAOYSA-N 0 0 324.421 3.087 10 30 DGEERN COc1ccc(C2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 ZINC000367273001 434542824 /nfs/dbraw/zinc/54/28/24/434542824.db2.gz ZGEPWSPCAJGHPA-UHFFFAOYSA-N 0 0 308.385 3.049 10 30 DGEERN C#CCCCCNC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000367473731 434547882 /nfs/dbraw/zinc/54/78/82/434547882.db2.gz IJVLJGXASPXUCA-UHFFFAOYSA-N 0 0 314.385 3.355 10 30 DGEERN C=CCC1(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CCC1 ZINC000367501322 434551025 /nfs/dbraw/zinc/55/10/25/434551025.db2.gz WWSWRIBVPJQVKZ-ZDUSSCGKSA-N 0 0 301.390 3.009 10 30 DGEERN N#CC1CCN(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000408350345 434566970 /nfs/dbraw/zinc/56/69/70/434566970.db2.gz POALBBBZQKZJEV-OLZOCXBDSA-N 0 0 317.355 3.300 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCCOC4)C3)CC2)cc1 ZINC000408297556 434561371 /nfs/dbraw/zinc/56/13/71/434561371.db2.gz JALOYHXTUNCNGX-LJQANCHMSA-N 0 0 324.424 3.009 10 30 DGEERN N#Cc1ccc(C2(C(=O)N3CCC[C@]4(CCCOC4)C3)CC2)cc1 ZINC000408297555 434562080 /nfs/dbraw/zinc/56/20/80/434562080.db2.gz JALOYHXTUNCNGX-IBGZPJMESA-N 0 0 324.424 3.009 10 30 DGEERN Cc1cc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1C#N ZINC000408436446 434573122 /nfs/dbraw/zinc/57/31/22/434573122.db2.gz CRUGIVXTRZEYPK-DYVFJYSZSA-N 0 0 318.442 3.068 10 30 DGEERN C=CCN(CC=C)C(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000368636777 434580025 /nfs/dbraw/zinc/58/00/25/434580025.db2.gz WBJPQLZRRTZELS-CYBMUJFWSA-N 0 0 306.431 3.160 10 30 DGEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC000368766914 434581751 /nfs/dbraw/zinc/58/17/51/434581751.db2.gz VKDODDFUMBCLHT-UONOGXRCSA-N 0 0 300.402 3.234 10 30 DGEERN C=CCC[C@@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccc1 ZINC000370429341 434613458 /nfs/dbraw/zinc/61/34/58/434613458.db2.gz ZJGBRKHZFUOZBF-HUUCEWRRSA-N 0 0 324.371 3.105 10 30 DGEERN N#Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)s1 ZINC000360512198 434625397 /nfs/dbraw/zinc/62/53/97/434625397.db2.gz PNAPWRLTEXZIKW-UHFFFAOYSA-N 0 0 324.405 3.328 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000452507535 434630531 /nfs/dbraw/zinc/63/05/31/434630531.db2.gz DJLPVRUOKMQRFJ-RNJOBUHISA-N 0 0 305.340 3.205 10 30 DGEERN C=CCn1cc(CNC/C(C)=C/c2ccc(Cl)cc2)nn1 ZINC000424174450 434646436 /nfs/dbraw/zinc/64/64/36/434646436.db2.gz RXPYBGQTOFTTIH-UKTHLTGXSA-N 0 0 302.809 3.311 10 30 DGEERN C=C(C)CCNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000411029534 434699016 /nfs/dbraw/zinc/69/90/16/434699016.db2.gz CMKYHBLQEIEMQR-UHFFFAOYSA-N 0 0 310.397 3.150 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)CCCCOC ZINC000424244424 434664977 /nfs/dbraw/zinc/66/49/77/434664977.db2.gz KWZGPJSQABJMMN-AWEZNQCLSA-N 0 0 324.494 3.285 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)CC(F)(F)F ZINC000424255329 434666272 /nfs/dbraw/zinc/66/62/72/434666272.db2.gz UMWYSNTVUFWEFN-SNVBAGLBSA-N 0 0 320.384 3.421 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)CCCCCO ZINC000424255744 434666622 /nfs/dbraw/zinc/66/66/22/434666622.db2.gz UVWLMMYBAYYTJX-CQSZACIVSA-N 0 0 324.494 3.021 10 30 DGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)C[C@H](C)C#N ZINC000424257790 434669870 /nfs/dbraw/zinc/66/98/70/434669870.db2.gz WMMQPRIYMZILRH-CHWSQXEVSA-N 0 0 305.451 3.018 10 30 DGEERN C=CCN(CCOC)c1nnc([C@@H]2CCCS2)n1CC(C)C ZINC000424282014 434674938 /nfs/dbraw/zinc/67/49/38/434674938.db2.gz KMPRIJOAJZBFMX-AWEZNQCLSA-N 0 0 324.494 3.141 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(OCC)cc2)CCOCC1 ZINC000424577402 434748204 /nfs/dbraw/zinc/74/82/04/434748204.db2.gz UZCRAQARRHZKIY-UHFFFAOYSA-N 0 0 303.402 3.074 10 30 DGEERN C=CCCn1cc(-c2nc([C@@H](C)c3ccc(C)cc3)no2)nn1 ZINC000424348250 434708083 /nfs/dbraw/zinc/70/80/83/434708083.db2.gz NRPRJPMEIGLHPF-ZDUSSCGKSA-N 0 0 309.373 3.364 10 30 DGEERN C=CC(C)(C)CNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000452778558 434711978 /nfs/dbraw/zinc/71/19/78/434711978.db2.gz QZGMUTOTNNABPK-UHFFFAOYSA-N 0 0 301.308 3.456 10 30 DGEERN C=CC(C)(C)CNC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000452775328 434712206 /nfs/dbraw/zinc/71/22/06/434712206.db2.gz HJUUOLMUATYUDT-UHFFFAOYSA-N 0 0 300.406 3.029 10 30 DGEERN C=C[C@@H](CC(=O)NCC1(CF)CCOCC1)c1ccccc1 ZINC000452792949 434716982 /nfs/dbraw/zinc/71/69/82/434716982.db2.gz FACHJKJUPRCIIG-HNNXBMFYSA-N 0 0 305.393 3.229 10 30 DGEERN C=CCCOCCCCC(=O)N1CC2CC1(C(F)(F)F)C2 ZINC000411109505 434723579 /nfs/dbraw/zinc/72/35/79/434723579.db2.gz BIJVQYMGYDPPRV-UHFFFAOYSA-N 0 0 305.340 3.303 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)c1c(CC)ncnc1CC ZINC000459878713 434732519 /nfs/dbraw/zinc/73/25/19/434732519.db2.gz LGUHBFOTWZFIHZ-UHFFFAOYSA-N 0 0 315.442 3.491 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1noc(C)n1 ZINC000411190589 434742143 /nfs/dbraw/zinc/74/21/43/434742143.db2.gz HWUIOIUKGRCOOV-NSHDSACASA-N 0 0 302.334 3.035 10 30 DGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nc(CC)no1 ZINC000411195022 434742778 /nfs/dbraw/zinc/74/27/78/434742778.db2.gz RWYZVSIWAAJKHR-GFCCVEGCSA-N 0 0 316.361 3.289 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(Cl)cc2OC)CCOCC1 ZINC000424662433 434771446 /nfs/dbraw/zinc/77/14/46/434771446.db2.gz LLZCNAWDXPXLKQ-UHFFFAOYSA-N 0 0 323.820 3.338 10 30 DGEERN C=CCC1(C(=O)N(CCC)C[C@H]2CCCCO2)CCOCC1 ZINC000424643449 434768272 /nfs/dbraw/zinc/76/82/72/434768272.db2.gz FONDCWNGFDFPKK-MRXNPFEDSA-N 0 0 309.450 3.167 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N(CC)CCC ZINC000460368016 434756440 /nfs/dbraw/zinc/75/64/40/434756440.db2.gz DIVQXKAMJGDDRP-UHFFFAOYSA-N 0 0 302.422 3.469 10 30 DGEERN C=CCC1(C(=O)N2CCC(OCCC(C)C)CC2)CCOCC1 ZINC000424608892 434757709 /nfs/dbraw/zinc/75/77/09/434757709.db2.gz UHEVOOXXFMFUCM-UHFFFAOYSA-N 0 0 323.477 3.413 10 30 DGEERN C=CCOc1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cc1 ZINC000440979728 434759078 /nfs/dbraw/zinc/75/90/78/434759078.db2.gz LVPYIDWVJQBVMB-OAHLLOKOSA-N 0 0 323.392 3.182 10 30 DGEERN CC(C)O[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1(C)C ZINC000440992545 434760761 /nfs/dbraw/zinc/76/07/61/434760761.db2.gz SWJVSXFATJGVHZ-QDIHITRGSA-N 0 0 321.465 3.208 10 30 DGEERN C=CCC1(C(=O)NCCCCc2nc(C)cs2)CCOCC1 ZINC000424638266 434765162 /nfs/dbraw/zinc/76/51/62/434765162.db2.gz GKXHUJZKHKLFJC-UHFFFAOYSA-N 0 0 322.474 3.263 10 30 DGEERN C=CCC1(C(=O)NCc2ccc(C)cc2OCC)CCOCC1 ZINC000424718967 434785290 /nfs/dbraw/zinc/78/52/90/434785290.db2.gz INKSGXKTYZIXEM-UHFFFAOYSA-N 0 0 317.429 3.383 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@H](OC)C2(CC)CC)CCOCC1 ZINC000424734390 434790508 /nfs/dbraw/zinc/79/05/08/434790508.db2.gz JUXBODNKPVZZDZ-GJZGRUSLSA-N 0 0 309.450 3.069 10 30 DGEERN C=C(C)C(C)(C)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000424734813 434791818 /nfs/dbraw/zinc/79/18/18/434791818.db2.gz KIOKVRNGOBBOFR-MRXNPFEDSA-N 0 0 303.402 3.197 10 30 DGEERN C=CCC1(C(=O)NCCC2Cc3ccccc3C2)CCOCC1 ZINC000424757193 434795459 /nfs/dbraw/zinc/79/54/59/434795459.db2.gz AOJKFXNZBMNASF-UHFFFAOYSA-N 0 0 313.441 3.281 10 30 DGEERN C=CCC1(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)CCOCC1 ZINC000424798147 434805477 /nfs/dbraw/zinc/80/54/77/434805477.db2.gz XONVZACZODJEIM-HZPDHXFCSA-N 0 0 309.450 3.069 10 30 DGEERN C=CCOc1ccc(Cc2nc([C@H]3CCOC[C@@H]3C)no2)cc1 ZINC000453173328 434822701 /nfs/dbraw/zinc/82/27/01/434822701.db2.gz LYIXOLLDJDOPDH-BBRMVZONSA-N 0 0 314.385 3.365 10 30 DGEERN C=CCOc1ccc(Cc2nc([C@](C)(OC)C3CC3)no2)cc1 ZINC000453185436 434824405 /nfs/dbraw/zinc/82/44/05/434824405.db2.gz KJNNEQVEWARGKB-GOSISDBHSA-N 0 0 314.385 3.497 10 30 DGEERN C=CCn1cc(CNC(=O)c2ccc(Cl)c(CCC)c2)nn1 ZINC000424908767 434828210 /nfs/dbraw/zinc/82/82/10/434828210.db2.gz QJEXKPAVGDTFJO-UHFFFAOYSA-N 0 0 318.808 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ZINC000573713176 434919855 /nfs/dbraw/zinc/91/98/55/434919855.db2.gz KRSAGFNSSBPINC-QGZVFWFLSA-N 0 0 317.433 3.347 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000460951680 434866488 /nfs/dbraw/zinc/86/64/88/434866488.db2.gz XMSCJCHAUZGDMZ-GJZGRUSLSA-N 0 0 314.433 3.467 10 30 DGEERN C=CCCCCCN(C)C(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000574050876 434947275 /nfs/dbraw/zinc/94/72/75/434947275.db2.gz BAZLMHJAZTXNQD-UHFFFAOYSA-N 0 0 300.406 3.234 10 30 DGEERN C=CCNC(=O)c1ccc(NCC2CC(c3ccccc3)C2)nc1 ZINC000554930995 434954187 /nfs/dbraw/zinc/95/41/87/434954187.db2.gz VOLJLMQZYDTRHN-UHFFFAOYSA-N 0 0 321.424 3.603 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N(CC)CCCC ZINC000554921189 434954411 /nfs/dbraw/zinc/95/44/11/434954411.db2.gz LIJVHBUMNUTOSU-UHFFFAOYSA-N 0 0 302.422 3.469 10 30 DGEERN C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000554921168 434954484 /nfs/dbraw/zinc/95/44/84/434954484.db2.gz KOOQOWNACAPQPH-GOEBONIOSA-N 0 0 312.392 3.183 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000574271069 434964833 /nfs/dbraw/zinc/96/48/33/434964833.db2.gz PIWYYXQCWGGRGB-LIRRHRJNSA-N 0 0 322.408 3.433 10 30 DGEERN C=CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000463777713 434969510 /nfs/dbraw/zinc/96/95/10/434969510.db2.gz VIPLTQLLCORADJ-RTBURBONSA-N 0 0 312.457 3.432 10 30 DGEERN CN(Cc1ccc(Br)c(F)c1)c1ccncc1C#N ZINC000574352716 434971602 /nfs/dbraw/zinc/97/16/02/434971602.db2.gz FNWCZADKGUHVJR-UHFFFAOYSA-N 0 0 320.165 3.491 10 30 DGEERN C=C(C)Cn1c(C)nnc1N1CCc2sc(Cl)cc2C1 ZINC000573722754 434920700 /nfs/dbraw/zinc/92/07/00/434920700.db2.gz PFBTWFTZEIHLMO-UHFFFAOYSA-N 0 0 308.838 3.440 10 30 DGEERN C=CCn1c(CCc2ccco2)nnc1N1CCC(C)=C(C)C1 ZINC000573730983 434921216 /nfs/dbraw/zinc/92/12/16/434921216.db2.gz JREXVZLJNRULAK-UHFFFAOYSA-N 0 0 312.417 3.389 10 30 DGEERN COC(=O)c1cc(Br)c(OC(F)(F)F)cc1C#N ZINC000575383368 435033458 /nfs/dbraw/zinc/03/34/58/435033458.db2.gz CNHUHSPZOLHJSZ-UHFFFAOYSA-N 0 0 324.052 3.006 10 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DGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000464135033 434977150 /nfs/dbraw/zinc/97/71/50/434977150.db2.gz LNVIMGAFKUZKQT-KSSFIOAISA-N 0 0 317.408 3.097 10 30 DGEERN CCc1c(SC(F)(F)F)ccc(C#N)c1CC(=O)OC ZINC000575389606 435034444 /nfs/dbraw/zinc/03/44/44/435034444.db2.gz MEKVNPXDKURRNZ-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccoc2)n1C ZINC000574607209 434989646 /nfs/dbraw/zinc/98/96/46/434989646.db2.gz QGSAGBQLPBOCOA-UHFFFAOYSA-N 0 0 324.384 3.276 10 30 DGEERN C=C[C@H](C)NC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000464756707 434997948 /nfs/dbraw/zinc/99/79/48/434997948.db2.gz ZZINFFMTTIOTCZ-WDEREUQCSA-N 0 0 311.223 3.254 10 30 DGEERN CCOC(=O)c1ccc(Br)c(C#N)c1C(F)F ZINC000575382734 435033051 /nfs/dbraw/zinc/03/30/51/435033051.db2.gz CKPZCJNJWDGPQF-UHFFFAOYSA-N 0 0 304.090 3.435 10 30 DGEERN CCOC(=O)Cc1cc(CC)c(C#N)c(OC(F)(F)F)c1 ZINC000575388958 435034644 /nfs/dbraw/zinc/03/46/44/435034644.db2.gz MZZBXIHNZGCUEW-UHFFFAOYSA-N 0 0 301.264 3.125 10 30 DGEERN COC(=O)c1ccc(C(F)(F)F)c(Br)c1C#N ZINC000575383726 435033100 /nfs/dbraw/zinc/03/31/00/435033100.db2.gz IRYJXNQPOKINJZ-UHFFFAOYSA-N 0 0 308.053 3.126 10 30 DGEERN CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1OC(F)F ZINC000575385498 435034667 /nfs/dbraw/zinc/03/46/67/435034667.db2.gz VKNDFAQMCAOSLO-UHFFFAOYSA-N 0 0 305.227 3.203 10 30 DGEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1C(F)(F)F ZINC000575381196 435033217 /nfs/dbraw/zinc/03/32/17/435033217.db2.gz WPTCLEYWDIXYBT-UHFFFAOYSA-N 0 0 311.181 3.311 10 30 DGEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1Br ZINC000575383656 435033221 /nfs/dbraw/zinc/03/32/21/435033221.db2.gz WWSPKKABESKMDG-UHFFFAOYSA-N 0 0 324.052 3.006 10 30 DGEERN C=C(C)CN(CC)C(=O)Nc1ccnc(C)c1Br ZINC000525846986 435009089 /nfs/dbraw/zinc/00/90/89/435009089.db2.gz HVEPAVBOZVCQCV-UHFFFAOYSA-N 0 0 312.211 3.004 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000527178212 435009897 /nfs/dbraw/zinc/00/98/97/435009897.db2.gz MGOHIHLADNKXEZ-CHWSQXEVSA-N 0 0 320.399 3.368 10 30 DGEERN COc1cc(C#N)ccc1NC(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000527309875 435011705 /nfs/dbraw/zinc/01/17/05/435011705.db2.gz TWPARLONVHKMGR-LBPRGKRZSA-N 0 0 315.295 3.275 10 30 DGEERN CC[C@@H](CNC(=O)Cc1cccc(C#N)c1)Oc1cccc(C)c1 ZINC000530981532 435064327 /nfs/dbraw/zinc/06/43/27/435064327.db2.gz DRZVGPLWGVXGOY-SFHVURJKSA-N 0 0 322.408 3.383 10 30 DGEERN Cc1ccc(SCCNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531396155 435090692 /nfs/dbraw/zinc/09/06/92/435090692.db2.gz MLIZARUSSCFHQN-UHFFFAOYSA-N 0 0 310.422 3.318 10 30 DGEERN CCOC(=O)c1ccc(C(F)(F)F)c(OC(F)F)c1C#N ZINC000575386731 435034772 /nfs/dbraw/zinc/03/47/72/435034772.db2.gz CUWSAJRUGSGUDK-UHFFFAOYSA-N 0 0 309.190 3.355 10 30 DGEERN CCc1c(C#N)cc(SC(F)(F)F)cc1CC(=O)OC ZINC000575389589 435034834 /nfs/dbraw/zinc/03/48/34/435034834.db2.gz LAIJANFWFDZVQD-UHFFFAOYSA-N 0 0 303.305 3.448 10 30 DGEERN CCOC(=O)c1cc(C=O)c(SC(F)(F)F)cc1C#N ZINC000575391036 435035629 /nfs/dbraw/zinc/03/56/29/435035629.db2.gz FJZIOJIXLBGMRG-UHFFFAOYSA-N 0 0 303.261 3.159 10 30 DGEERN CCOC(=O)c1c(OC)cc(C#N)cc1SC(F)(F)F ZINC000575394145 435035888 /nfs/dbraw/zinc/03/58/88/435035888.db2.gz FPJGTOVAKWMGJL-UHFFFAOYSA-N 0 0 305.277 3.355 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@]1(C)Br ZINC000529492956 435037298 /nfs/dbraw/zinc/03/72/98/435037298.db2.gz WVJGZFHMKNKCOA-IIAWOOMASA-N 0 0 322.246 3.464 10 30 DGEERN CCc1c(I)ccc(C#N)c1OC(F)F ZINC000575655475 435039597 /nfs/dbraw/zinc/03/95/97/435039597.db2.gz OPOLQCQWQMBUTO-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCc1cc(C#N)cc(OC(F)F)c1I ZINC000575656212 435039623 /nfs/dbraw/zinc/03/96/23/435039623.db2.gz QDEHJRQPZUVZMK-UHFFFAOYSA-N 0 0 323.080 3.327 10 30 DGEERN CCOc1cc(I)cc(C(F)F)c1C#N ZINC000575665906 435040647 /nfs/dbraw/zinc/04/06/47/435040647.db2.gz ITYHTNULBIVTKS-UHFFFAOYSA-N 0 0 323.080 3.499 10 30 DGEERN N#CCc1ccc(C(F)F)c(F)c1I ZINC000575669233 435041569 /nfs/dbraw/zinc/04/15/69/435041569.db2.gz ZMBJSNWUOBJTLU-UHFFFAOYSA-N 0 0 311.044 3.434 10 30 DGEERN N#Cc1ccc(C(F)F)c(I)c1[N+](=O)[O-] ZINC000575671934 435041591 /nfs/dbraw/zinc/04/15/91/435041591.db2.gz WRJODTFEEXWZPF-UHFFFAOYSA-N 0 0 324.024 3.009 10 30 DGEERN C=CCOCC(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000529940683 435042038 /nfs/dbraw/zinc/04/20/38/435042038.db2.gz DIGDFDSZVCJIEV-UHFFFAOYSA-N 0 0 305.805 3.467 10 30 DGEERN CCOc1cc(CC)c(C#N)cc1I ZINC000575669971 435042283 /nfs/dbraw/zinc/04/22/83/435042283.db2.gz CAMNHLLZCLNULY-UHFFFAOYSA-N 0 0 301.127 3.124 10 30 DGEERN COc1ccc(Br)c(CC#N)c1Br ZINC000575693779 435044940 /nfs/dbraw/zinc/04/49/40/435044940.db2.gz FALQHJXLNPSOQR-UHFFFAOYSA-N 0 0 304.969 3.286 10 30 DGEERN CCOc1cc(CC#N)cc(CC)c1I ZINC000575694338 435045001 /nfs/dbraw/zinc/04/50/01/435045001.db2.gz DEJPBWVKBFFZAZ-UHFFFAOYSA-N 0 0 315.154 3.318 10 30 DGEERN Cc1cc(Br)cc(I)c1C#N ZINC000575692417 435045090 /nfs/dbraw/zinc/04/50/90/435045090.db2.gz DAYWKFXFKAUIOG-UHFFFAOYSA-N 0 0 321.943 3.234 10 30 DGEERN CCOc1cc(C)cc(CC#N)c1I ZINC000575697908 435046250 /nfs/dbraw/zinc/04/62/50/435046250.db2.gz RRZZNTGTSMYFPV-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CCOc1cc(I)cc(CC#N)c1C ZINC000575697873 435046332 /nfs/dbraw/zinc/04/63/32/435046332.db2.gz PWGQJPGUXLZQIQ-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN COc1ccc(C(C)(C)CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530669203 435046388 /nfs/dbraw/zinc/04/63/88/435046388.db2.gz KWGWNZXZVTXDPR-UHFFFAOYSA-N 0 0 322.408 3.203 10 30 DGEERN CCOc1cc(C)c(CC#N)cc1I ZINC000575698019 435047101 /nfs/dbraw/zinc/04/71/01/435047101.db2.gz XWXMYRPYFUYMKL-UHFFFAOYSA-N 0 0 301.127 3.064 10 30 DGEERN CSc1cc(C)cc(CC#N)c1I ZINC000575707809 435049241 /nfs/dbraw/zinc/04/92/41/435049241.db2.gz BEEPLUIUKCFUMO-UHFFFAOYSA-N 0 0 303.168 3.388 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1Nc1nn2cc(C3CCCC3)nc2s1 ZINC000576194343 435054006 /nfs/dbraw/zinc/05/40/06/435054006.db2.gz WZJFIZTXVANVQE-OCCSQVGLSA-N 0 0 318.446 3.594 10 30 DGEERN C=CCn1c(CC(F)(F)F)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC000576345811 435055210 /nfs/dbraw/zinc/05/52/10/435055210.db2.gz PPIXRVYWYBXWDC-QWRGUYRKSA-N 0 0 302.344 3.194 10 30 DGEERN COc1c(F)cc(F)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531605957 435105039 /nfs/dbraw/zinc/10/50/39/435105039.db2.gz PZNBYTHVRAELPY-UHFFFAOYSA-N 0 0 302.280 3.026 10 30 DGEERN C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1 ZINC000558913122 435115856 /nfs/dbraw/zinc/11/58/56/435115856.db2.gz LFXOIZYWFQDMQW-UHFFFAOYSA-N 0 0 319.412 3.319 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC000558984357 435118092 /nfs/dbraw/zinc/11/80/92/435118092.db2.gz TZYXAACDNMQFOA-HUUCEWRRSA-N 0 0 314.433 3.325 10 30 DGEERN C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000558984475 435118565 /nfs/dbraw/zinc/11/85/65/435118565.db2.gz BRFZWQDMWCSNEH-INIZCTEOSA-N 0 0 316.449 3.127 10 30 DGEERN C=C(C)Cn1c(CC)nnc1N1CCC(c2nccs2)CC1 ZINC000559026758 435120335 /nfs/dbraw/zinc/12/03/35/435120335.db2.gz WHRNIRMOEZOHEK-UHFFFAOYSA-N 0 0 317.462 3.257 10 30 DGEERN C=CCCCCCNC(=O)c1cnc2c(C)cc(F)cc2c1O ZINC000580093472 435205021 /nfs/dbraw/zinc/20/50/21/435205021.db2.gz DGVRXQLLKLPFQH-UHFFFAOYSA-N 0 0 316.376 3.452 10 30 DGEERN C=CCCCCCNc1ccc(-c2nc(CC)cc(=O)[nH]2)cn1 ZINC000580345988 435224770 /nfs/dbraw/zinc/22/47/70/435224770.db2.gz WJYIORFUNJUBDU-UHFFFAOYSA-N 0 0 312.417 3.965 10 30 DGEERN Cc1cc(C#N)nc(NCCCCc2ccc(Cl)s2)n1 ZINC000561345666 435211905 /nfs/dbraw/zinc/21/19/05/435211905.db2.gz FZJFPMRIUARLLC-UHFFFAOYSA-N 0 0 306.822 3.806 10 30 DGEERN C=CCSCCNC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000476904820 435250306 /nfs/dbraw/zinc/25/03/06/435250306.db2.gz UFUYPAWORTZASU-WDEREUQCSA-N 0 0 310.385 3.278 10 30 DGEERN CC1CC(C#N)(C(=O)NCCc2ccccc2Br)C1 ZINC000562296905 435257586 /nfs/dbraw/zinc/25/75/86/435257586.db2.gz WXJDLBRYLVFOKA-UHFFFAOYSA-N 0 0 321.218 3.048 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000564219728 435271237 /nfs/dbraw/zinc/27/12/37/435271237.db2.gz APMVFAZUOSWQRH-OAHLLOKOSA-N 0 0 308.466 3.134 10 30 DGEERN C=CCCCCCNC(=O)N1CCc2ccccc2[C@@H]1CO ZINC000565548234 435278897 /nfs/dbraw/zinc/27/88/97/435278897.db2.gz GWHQHRDUFUCITH-KRWDZBQOSA-N 0 0 302.418 3.034 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000565408259 435279036 /nfs/dbraw/zinc/27/90/36/435279036.db2.gz OMDAZXPRSYAJSX-KURKYZTESA-N 0 0 315.413 3.126 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC000584206663 435284437 /nfs/dbraw/zinc/28/44/37/435284437.db2.gz JEIKINQAPZJLGH-GDBMZVCRSA-N 0 0 304.390 3.036 10 30 DGEERN C[C@H]1C[C@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477952546 435285545 /nfs/dbraw/zinc/28/55/45/435285545.db2.gz XGRFGMPRUUFBEG-AAEUAGOBSA-N 0 0 310.319 3.012 10 30 DGEERN C[C@@H]1C[C@@H]1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477952547 435285929 /nfs/dbraw/zinc/28/59/29/435285929.db2.gz XGRFGMPRUUFBEG-DGCLKSJQSA-N 0 0 310.319 3.012 10 30 DGEERN C=CCCC[N@@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000566360893 435286577 /nfs/dbraw/zinc/28/65/77/435286577.db2.gz CGLFGCIZHCQTKF-UHFFFAOYSA-N 0 0 300.358 3.438 10 30 DGEERN N#Cc1cccnc1-n1cc(NC/C=C\c2ccc(F)cc2)cn1 ZINC000588461531 435295598 /nfs/dbraw/zinc/29/55/98/435295598.db2.gz MFFBSZMXJPMMCS-IWQZZHSRSA-N 0 0 319.343 3.403 10 30 DGEERN C=C(C)CCc1noc(CC2CCC(C(=O)OCC)CC2)n1 ZINC000567588404 435330650 /nfs/dbraw/zinc/33/06/50/435330650.db2.gz YFHTZCIXWIXZJR-UHFFFAOYSA-N 0 0 306.406 3.490 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1csc(-c2cccs2)n1 ZINC000567695713 435343781 /nfs/dbraw/zinc/34/37/81/435343781.db2.gz AKQLVAQADDPAIW-JQWIXIFHSA-N 0 0 320.439 3.193 10 30 DGEERN Cc1ccc(C#N)c(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000535749338 435348260 /nfs/dbraw/zinc/34/82/60/435348260.db2.gz IMSRDHBOXUOXJE-CQSZACIVSA-N 0 0 315.417 3.210 10 30 DGEERN CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc(CC#N)cc1 ZINC000567950169 435374342 /nfs/dbraw/zinc/37/43/42/435374342.db2.gz GVAASXKATQKUKY-AWEZNQCLSA-N 0 0 300.402 3.154 10 30 DGEERN CCN(CC#N)C(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000513484047 435391988 /nfs/dbraw/zinc/39/19/88/435391988.db2.gz MMJNDNWGTOCELU-UHFFFAOYSA-N 0 0 306.409 3.460 10 30 DGEERN C=CCC(CC=C)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000628325675 435397417 /nfs/dbraw/zinc/39/74/17/435397417.db2.gz YJVHFAGMXCBQTP-SFHVURJKSA-N 0 0 301.386 3.101 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000569098764 435504045 /nfs/dbraw/zinc/50/40/45/435504045.db2.gz JEXOQFHIJLAFMG-QWRGUYRKSA-N 0 0 309.435 3.153 10 30 DGEERN CC#CCCNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000482830799 435484292 /nfs/dbraw/zinc/48/42/92/435484292.db2.gz MBKHRCCJMOTEQQ-LBPRGKRZSA-N 0 0 323.234 3.093 10 30 DGEERN C=CCSc1ccccc1C(=O)N(C)Cc1cnn(C)c1C ZINC000568942400 435484678 /nfs/dbraw/zinc/48/46/78/435484678.db2.gz MXVSEVQVPLHDOU-UHFFFAOYSA-N 0 0 315.442 3.279 10 30 DGEERN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CCC ZINC000516914773 435560721 /nfs/dbraw/zinc/56/07/21/435560721.db2.gz JWBFCKQALKTEPQ-INIZCTEOSA-N 0 0 312.417 3.377 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1sc(C)nc1C ZINC000516923487 435561081 /nfs/dbraw/zinc/56/10/81/435561081.db2.gz YOPQRLJIOPFXTQ-XBFCOCLRSA-N 0 0 323.462 3.053 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1nc(CCCC)[nH]c1C(=O)OCC ZINC000485669679 435574564 /nfs/dbraw/zinc/57/45/64/435574564.db2.gz PMDDQHSMGCZNEY-LBPRGKRZSA-N 0 0 321.421 3.470 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncsc1-c1ccccc1 ZINC000517231151 435584660 /nfs/dbraw/zinc/58/46/60/435584660.db2.gz TYYXCQBKSPRZFD-KBPBESRZSA-N 0 0 314.410 3.131 10 30 DGEERN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000570247679 435602900 /nfs/dbraw/zinc/60/29/00/435602900.db2.gz WFSLFPKUGQVKJL-OCCSQVGLSA-N 0 0 318.373 3.479 10 30 DGEERN C=C(C)[C@@H](CC(=O)N1CCO[C@H](C2CCCCC2)C1)OCC ZINC000541772221 435645496 /nfs/dbraw/zinc/64/54/96/435645496.db2.gz WFGPATDECYRUAN-SJORKVTESA-N 0 0 309.450 3.165 10 30 DGEERN N#Cc1cnccc1N1CCC2(CC1)OCCc1ccsc12 ZINC000547836488 435650703 /nfs/dbraw/zinc/65/07/03/435650703.db2.gz KDWCUCYLNQPMGW-UHFFFAOYSA-N 0 0 311.410 3.083 10 30 DGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489811411 435650777 /nfs/dbraw/zinc/65/07/77/435650777.db2.gz PWVVBPLCBRNHKN-GFCCVEGCSA-N 0 0 322.455 3.334 10 30 DGEERN C=CCOCC(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F ZINC000490941130 435690885 /nfs/dbraw/zinc/69/08/85/435690885.db2.gz OBLCEYHFZMBUII-HNNXBMFYSA-N 0 0 313.319 3.269 10 30 DGEERN C=CCn1c(CC)nnc1N1CCc2sc(Cl)cc2C1 ZINC000520229535 435730028 /nfs/dbraw/zinc/73/00/28/435730028.db2.gz VMNQSQSKTTZRDR-UHFFFAOYSA-N 0 0 308.838 3.304 10 30 DGEERN N#CCc1cccc(C(=O)NCc2ccncc2C(F)(F)F)c1 ZINC000572591919 435844907 /nfs/dbraw/zinc/84/49/07/435844907.db2.gz BZWZDPSSBJTPTJ-UHFFFAOYSA-N 0 0 319.286 3.096 10 30 DGEERN N#CC1(CS(=O)(=O)N2CCC3(C2)CCCCC3)CCCCC1 ZINC000460470133 303142649 /nfs/dbraw/zinc/14/26/49/303142649.db2.gz JSOYOKWEQYWEPI-UHFFFAOYSA-N 0 0 324.490 3.446 10 30 DGEERN N#Cc1cc(C(=O)NC2(Cc3ccccc3)CCCC2)ccn1 ZINC000193808824 303179936 /nfs/dbraw/zinc/17/99/36/303179936.db2.gz DAPLFXPXJQABBE-UHFFFAOYSA-N 0 0 305.381 3.239 10 30 DGEERN N#Cc1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000340077744 303195197 /nfs/dbraw/zinc/19/51/97/303195197.db2.gz BNVXFGNEFKRBFX-PBHICJAKSA-N 0 0 300.308 3.149 10 30 DGEERN CCOc1cccc([C@H]2C[C@@H]2NC(=O)Cc2cccc(C#N)c2)c1 ZINC000537228961 313803244 /nfs/dbraw/zinc/80/32/44/313803244.db2.gz CWIGEHQMUBEHPO-MOPGFXCFSA-N 0 0 320.392 3.172 10 30 DGEERN N#Cc1cccc(CC(=O)N2CC[C@H](COc3ccccc3)C2)c1 ZINC000541873002 314045244 /nfs/dbraw/zinc/04/52/44/314045244.db2.gz UIXRUEJVEGGNJE-SFHVURJKSA-N 0 0 320.392 3.028 10 30 DGEERN Cc1nn(-c2ccccc2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000541901340 314047955 /nfs/dbraw/zinc/04/79/55/314047955.db2.gz YTRPZXXSWFAOIT-UHFFFAOYSA-N 0 0 316.364 3.234 10 30 DGEERN C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000541905044 314048098 /nfs/dbraw/zinc/04/80/98/314048098.db2.gz WUMSJNIAGJTQHG-GFCCVEGCSA-N 0 0 312.344 3.319 10 30 DGEERN COCc1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1 ZINC000544154855 314177735 /nfs/dbraw/zinc/17/77/35/314177735.db2.gz ORCDLIBZCNSRRU-UHFFFAOYSA-N 0 0 305.337 3.345 10 30 DGEERN CN(Cc1ccc(OC(F)(F)F)cc1)c1ccncc1C#N ZINC000547824266 314399588 /nfs/dbraw/zinc/39/95/88/314399588.db2.gz FGOBOTZFTBEPFM-UHFFFAOYSA-N 0 0 307.275 3.488 10 30 DGEERN CC[C@H](CNc1ccncc1C#N)Oc1ccccc1Cl ZINC000548482357 314451579 /nfs/dbraw/zinc/45/15/79/314451579.db2.gz KJCOPUJQRCXIMP-CYBMUJFWSA-N 0 0 301.777 3.298 10 30 DGEERN COc1ccc(C[C@H](C)Nc2cc(C)nc(C#N)c2)cc1OC ZINC000553409301 314643415 /nfs/dbraw/zinc/64/34/15/314643415.db2.gz UNMVWTFFKSORTM-LBPRGKRZSA-N 0 0 311.385 3.322 10 30 DGEERN N#Cc1cnccc1N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000553558852 314648162 /nfs/dbraw/zinc/64/81/62/314648162.db2.gz UJGVZCXMSAUAPM-DZGCQCFKSA-N 0 0 314.186 3.106 10 30 DGEERN N#Cc1cccc(CC(=O)Nc2c3c(ccc2Cl)OCC3)c1 ZINC000562319450 315009426 /nfs/dbraw/zinc/00/94/26/315009426.db2.gz HQULCEIVHRRTAS-UHFFFAOYSA-N 0 0 312.756 3.328 10 30 DGEERN C[C@@H](Cc1ccc(Br)cc1)Nc1cc(C#N)ncn1 ZINC000565870760 315293373 /nfs/dbraw/zinc/29/33/73/315293373.db2.gz PLXGEEQNHWEHRF-JTQLQIEISA-N 0 0 317.190 3.154 10 30 DGEERN Cc1cc(C#N)nc(Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000579627362 323895706 /nfs/dbraw/zinc/89/57/06/323895706.db2.gz WZLVYTXDZDSSEG-AWEZNQCLSA-N 0 0 322.416 3.483 10 30 DGEERN N#Cc1cccc(Cc2nc(COc3ccccc3F)no2)c1 ZINC000579668741 323899683 /nfs/dbraw/zinc/89/96/83/323899683.db2.gz HVDGMORKWWIQFB-UHFFFAOYSA-N 0 0 309.300 3.250 10 30 DGEERN CO[C@@H]1CC[C@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000530521113 331555071 /nfs/dbraw/zinc/55/50/71/331555071.db2.gz QUQZOKPNKPTCAT-VQTJNVASSA-N 0 0 319.404 3.384 10 30 DGEERN C=CC[C@H](CO)NC(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000185885272 331663185 /nfs/dbraw/zinc/66/31/85/331663185.db2.gz HRGZVQQSGYNTBN-QGZVFWFLSA-N 0 0 301.430 3.250 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000185888087 331663836 /nfs/dbraw/zinc/66/38/36/331663836.db2.gz HTBMNTGBMGECNZ-VIFPVBQESA-N 0 0 313.184 3.142 10 30 DGEERN C=CCCc1ccccc1NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000558641548 331931219 /nfs/dbraw/zinc/93/12/19/331931219.db2.gz NYUKOYSTLRHFDE-HNNXBMFYSA-N 0 0 310.401 3.138 10 30 DGEERN C=CCCCN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO1 ZINC000559114399 331977714 /nfs/dbraw/zinc/97/77/14/331977714.db2.gz XVKQDJUTDSKIKW-OAHLLOKOSA-N 0 0 320.481 3.448 10 30 DGEERN C=CCCCCCNC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000518212874 331997393 /nfs/dbraw/zinc/99/73/93/331997393.db2.gz HOOHFRYGTSMNDK-RDJZCZTQSA-N 0 0 304.434 3.024 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CCC(C=C)CC1 ZINC000566220550 332143492 /nfs/dbraw/zinc/14/34/92/332143492.db2.gz LNHMEMURTLZSHF-UHFFFAOYSA-N 0 0 315.446 3.298 10 30 DGEERN CC(C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1Br ZINC000533874993 332228821 /nfs/dbraw/zinc/22/88/21/332228821.db2.gz GRNJPWAJCKJBKO-HNNXBMFYSA-N 0 0 323.234 3.436 10 30 DGEERN C=CCCCNC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000560025277 332303150 /nfs/dbraw/zinc/30/31/50/332303150.db2.gz LJKISLONILNFBK-GFCCVEGCSA-N 0 0 304.390 3.496 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000425587046 335107466 /nfs/dbraw/zinc/10/74/66/335107466.db2.gz RMDHKIBGUWKEFU-UAGQMJEPSA-N 0 0 318.417 3.037 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC)c1ccccc1 ZINC000425588121 335107696 /nfs/dbraw/zinc/10/76/96/335107696.db2.gz SFPJRNAPAAOOCK-XIRDDKMYSA-N 0 0 302.418 3.071 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn2c(n1)CCC2 ZINC000574520562 332385109 /nfs/dbraw/zinc/38/51/09/332385109.db2.gz HURLFBNLLMEHHJ-UHFFFAOYSA-N 0 0 321.833 3.373 10 30 DGEERN C=CCCCCCNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000566463456 332429240 /nfs/dbraw/zinc/42/92/40/332429240.db2.gz DFNRFVZHBPHQEF-MRXNPFEDSA-N 0 0 318.392 3.041 10 30 DGEERN C=CCCCCCNC(=O)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000564739439 332575466 /nfs/dbraw/zinc/57/54/66/332575466.db2.gz BREIFDVODMLPPB-OAHLLOKOSA-N 0 0 302.418 3.035 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000248602681 332614251 /nfs/dbraw/zinc/61/42/51/332614251.db2.gz BAKKWKIZUCJHNJ-KGLIPLIRSA-N 0 0 320.399 3.321 10 30 DGEERN C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC(=C)CC1 ZINC000570042713 332705905 /nfs/dbraw/zinc/70/59/05/332705905.db2.gz FFYPPPJVHRIZGU-UHFFFAOYSA-N 0 0 315.446 3.443 10 30 DGEERN C=C(C)[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209558 333009856 /nfs/dbraw/zinc/00/98/56/333009856.db2.gz BFBLFURFSAFLHF-PXAZEXFGSA-N 0 0 308.372 3.040 10 30 DGEERN C=CCC(C)(C)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000293801704 335117469 /nfs/dbraw/zinc/11/74/69/335117469.db2.gz PRWGCDNNRNOICG-UHFFFAOYSA-N 0 0 300.324 3.361 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)Cc1ccc(C)cc1 ZINC000563032667 333092808 /nfs/dbraw/zinc/09/28/08/333092808.db2.gz HKKBVFMCCGABLS-IRXDYDNUSA-N 0 0 316.445 3.206 10 30 DGEERN C=CC[C@@H]1N(C(=O)Cn2cnc3c2CCCC3)CCCC1(C)C ZINC000516706596 333128541 /nfs/dbraw/zinc/12/85/41/333128541.db2.gz LWLPVWFFWAUAGD-KRWDZBQOSA-N 0 0 315.461 3.355 10 30 DGEERN CC(C)=CCC[C@]1(C)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000188114288 333159862 /nfs/dbraw/zinc/15/98/62/333159862.db2.gz MQVDPIAGOCDIHY-IBGZPJMESA-N 0 0 310.397 3.095 10 30 DGEERN CSCC[C@@H](C)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180930870 333166117 /nfs/dbraw/zinc/16/61/17/333166117.db2.gz CMZQTDXLEUMZQG-CYBMUJFWSA-N 0 0 302.443 3.455 10 30 DGEERN C=CCCO[C@@H](C)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000364065294 333231238 /nfs/dbraw/zinc/23/12/38/333231238.db2.gz UPIYQPIKFUOMCH-HNNXBMFYSA-N 0 0 310.397 3.346 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000188426257 333366668 /nfs/dbraw/zinc/36/66/68/333366668.db2.gz OJYPBNVPXGDFQY-BEFAXECRSA-N 0 0 316.445 3.383 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000188426307 333366676 /nfs/dbraw/zinc/36/66/76/333366676.db2.gz OJYPBNVPXGDFQY-KXBFYZLASA-N 0 0 316.445 3.383 10 30 DGEERN C=CCNc1ncc(C(=O)Nc2cccc(C3CC3)n2)s1 ZINC000295682450 335136995 /nfs/dbraw/zinc/13/69/95/335136995.db2.gz VRXGFFISWPLHTJ-UHFFFAOYSA-N 0 0 300.387 3.266 10 30 DGEERN C#CCOc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000162872754 333419382 /nfs/dbraw/zinc/41/93/82/333419382.db2.gz MHZNDBRXVYWIHP-UHFFFAOYSA-N 0 0 319.320 3.001 10 30 DGEERN C#Cc1ccc(CNC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000296459248 335142280 /nfs/dbraw/zinc/14/22/80/335142280.db2.gz KYGXESGUMQCOAC-IRXDYDNUSA-N 0 0 314.429 3.061 10 30 DGEERN C=CCC(CC=C)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000565423603 333506485 /nfs/dbraw/zinc/50/64/85/333506485.db2.gz FZZUDWPMGAGDLT-CQSZACIVSA-N 0 0 303.427 3.424 10 30 DGEERN C=CC[C@H](CO)NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000185691346 335147505 /nfs/dbraw/zinc/14/75/05/335147505.db2.gz JGERWERBSRVFMH-GFCCVEGCSA-N 0 0 309.818 3.150 10 30 DGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000185701487 335148429 /nfs/dbraw/zinc/14/84/29/335148429.db2.gz XHNLILPEILALOG-ZDUSSCGKSA-N 0 0 301.390 3.147 10 30 DGEERN C=CCCCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000563402514 333601307 /nfs/dbraw/zinc/60/13/07/333601307.db2.gz FMJXXEHSNGCDGF-IAGOWNOFSA-N 0 0 320.477 3.278 10 30 DGEERN O/N=C/c1ccc(OCc2cccnc2)c(Br)c1 ZINC000253574424 333776308 /nfs/dbraw/zinc/77/63/08/333776308.db2.gz SPBLXLXHATZEMJ-LZYBPNLTSA-N 0 0 307.147 3.231 10 30 DGEERN C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000412931626 333812498 /nfs/dbraw/zinc/81/24/98/333812498.db2.gz HRGFYOUTARONOC-ZIAGYGMSSA-N 0 0 305.443 3.246 10 30 DGEERN C[C@H](CC(=O)N(CC#N)C1CC1)c1ccc(Br)cc1 ZINC000269305129 334000011 /nfs/dbraw/zinc/00/00/11/334000011.db2.gz ZXXOVUFLOLXKLQ-LLVKDONJSA-N 0 0 321.218 3.457 10 30 DGEERN C=CCN(C(=O)[C@H](C)CCC)c1nc(C(=O)OCC)cs1 ZINC000112800454 334727628 /nfs/dbraw/zinc/72/76/28/334727628.db2.gz YOPQZBQNKPEEMP-LLVKDONJSA-N 0 0 310.419 3.275 10 30 DGEERN Cc1nc(C(=O)Nc2nc(C)c(SCC#N)s2)c(C)s1 ZINC000179299862 335951575 /nfs/dbraw/zinc/95/15/75/335951575.db2.gz IOCFKWJJCCHCHK-UHFFFAOYSA-N 0 0 324.456 3.393 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532371943 336243910 /nfs/dbraw/zinc/24/39/10/336243910.db2.gz UGYKRDKGMFNBCY-ZIAGYGMSSA-N 0 0 310.438 3.104 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532371941 336243945 /nfs/dbraw/zinc/24/39/45/336243945.db2.gz UGYKRDKGMFNBCY-KGLIPLIRSA-N 0 0 310.438 3.104 10 30 DGEERN N#CCc1ccnc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000532434703 336247157 /nfs/dbraw/zinc/24/71/57/336247157.db2.gz UBYDUFGCNUVBOE-OCCSQVGLSA-N 0 0 313.307 3.168 10 30 DGEERN C=C[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000526980101 336277813 /nfs/dbraw/zinc/27/78/13/336277813.db2.gz PMRXVYNJACGDPE-WBVHZDCISA-N 0 0 323.392 3.303 10 30 DGEERN C=CC[C@H](CO)Nc1cc(SCc2ccccc2)ncn1 ZINC000582251835 336394104 /nfs/dbraw/zinc/39/41/04/336394104.db2.gz JVEUMOSBVCWIKA-CQSZACIVSA-N 0 0 301.415 3.118 10 30 DGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000571680317 336396034 /nfs/dbraw/zinc/39/60/34/336396034.db2.gz UGGJXXBPEFVTCM-RYUDHWBXSA-N 0 0 317.462 3.378 10 30 DGEERN C=CC[C@H]1N(c2nnc(C)n2C[C@@H]2CCCO2)CCCC1(C)C ZINC000359451357 336673628 /nfs/dbraw/zinc/67/36/28/336673628.db2.gz OJTBQUJFANKOAE-JKSUJKDBSA-N 0 0 318.465 3.337 10 30 DGEERN CC1CC(C#N)(C(=O)NCCCCOCc2ccccc2)C1 ZINC000390751438 336947802 /nfs/dbraw/zinc/94/78/02/336947802.db2.gz DAVBBEHNIMJZFO-UHFFFAOYSA-N 0 0 300.402 3.039 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000188701838 337005213 /nfs/dbraw/zinc/00/52/13/337005213.db2.gz NWKGTCUCUBHVTL-UONOGXRCSA-N 0 0 316.405 3.416 10 30 DGEERN C=C(C)CN(CC)c1nnc(CCCc2cccs2)n1C ZINC000583112225 337238387 /nfs/dbraw/zinc/23/83/87/337238387.db2.gz SIOSPHIPFCUGBM-UHFFFAOYSA-N 0 0 304.463 3.454 10 30 DGEERN C=CCn1c(S[C@@H](C(C)=O)C(C)C)nnc1-c1ccccn1 ZINC000583202974 337269202 /nfs/dbraw/zinc/26/92/02/337269202.db2.gz ALYNBJSXSSMQCH-CQSZACIVSA-N 0 0 316.430 3.232 10 30 DGEERN C=CCN(CC=C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000583279332 337302602 /nfs/dbraw/zinc/30/26/02/337302602.db2.gz SQIQKGKSWXSQOT-UHFFFAOYSA-N 0 0 313.426 3.423 10 30 DGEERN C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000043878869 337308368 /nfs/dbraw/zinc/30/83/68/337308368.db2.gz YQDJWBKHEXBIDE-ZDUSSCGKSA-N 0 0 306.406 3.372 10 30 DGEERN Cc1cc(N2CCOCC2)c2c(-c3cccc(C#N)c3)c[nH]c2n1 ZINC000584598909 337370558 /nfs/dbraw/zinc/37/05/58/337370558.db2.gz UFIMWXLIOWWALA-UHFFFAOYSA-N 0 0 318.380 3.198 10 30 DGEERN N#Cc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1F ZINC000584598916 337370573 /nfs/dbraw/zinc/37/05/73/337370573.db2.gz VKOXBVYHAXPLSW-UHFFFAOYSA-N 0 0 322.343 3.077 10 30 DGEERN Cc1c2cc(C#N)cc(-c3ccc(F)cc3)c2n(C)c1C(N)=O ZINC000584618816 337373332 /nfs/dbraw/zinc/37/33/32/337373332.db2.gz QXOSIIMQLQQLPF-UHFFFAOYSA-N 0 0 307.328 3.263 10 30 DGEERN N#C[C@@H](c1cccc(Br)c1)[C@@H](CCO)c1cnco1 ZINC000584638512 337379671 /nfs/dbraw/zinc/37/96/71/337379671.db2.gz GTJIGMMNMWTUEQ-OLZOCXBDSA-N 0 0 321.174 3.210 10 30 DGEERN C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCSCC1 ZINC000583900604 337384808 /nfs/dbraw/zinc/38/48/08/337384808.db2.gz LTSUPCGDUXYMNY-UHFFFAOYSA-N 0 0 318.421 3.132 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000572030718 337587412 /nfs/dbraw/zinc/58/74/12/337587412.db2.gz OOCHIQSTCWOPEJ-WFASDCNBSA-N 0 0 320.820 3.219 10 30 DGEERN CSCc1cc(C(=O)NC2(C#N)CCSCC2)ccc1F ZINC000162497130 337632289 /nfs/dbraw/zinc/63/22/89/337632289.db2.gz IXJCNZQDHVYHQN-UHFFFAOYSA-N 0 0 324.446 3.208 10 30 DGEERN C=CCN(Cc1cccs1)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528279297 337799585 /nfs/dbraw/zinc/79/95/85/337799585.db2.gz JOGOWCLKFHHPPD-CXTNEJHOSA-N 0 0 308.447 3.258 10 30 DGEERN C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C#N)C4CC4)cc3c2C1 ZINC000108828595 337841462 /nfs/dbraw/zinc/84/14/62/337841462.db2.gz UFFMBKLNEYVNGJ-BBATYDOGSA-N 0 0 307.397 3.325 10 30 DGEERN C=CC[C@H](CO)CNC(=O)c1ccccc1Cc1ccccc1 ZINC000537120899 337893117 /nfs/dbraw/zinc/89/31/17/337893117.db2.gz OORCQPMSWYDAGO-KRWDZBQOSA-N 0 0 309.409 3.192 10 30 DGEERN C=CC1CCN(C(=O)NCc2ccccc2-n2ccc(C)n2)CC1 ZINC000122569055 337921680 /nfs/dbraw/zinc/92/16/80/337921680.db2.gz CFWNMHMTDBKFEI-UHFFFAOYSA-N 0 0 324.428 3.288 10 30 DGEERN C=CC(C)(C)c1nc([C@H](C)n2cc(Br)cn2)no1 ZINC000515300435 337985128 /nfs/dbraw/zinc/98/51/28/337985128.db2.gz PPZDBUATRIZYPE-QMMMGPOBSA-N 0 0 311.183 3.102 10 30 DGEERN C=CCC[C@@H](NC(=O)c1sc(C(C)C)nc1C)C(=O)OCC ZINC000516251692 338008868 /nfs/dbraw/zinc/00/88/68/338008868.db2.gz QGHDSTCSXOVIMX-GFCCVEGCSA-N 0 0 324.446 3.203 10 30 DGEERN C=CC(C)(C)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000451461596 338735450 /nfs/dbraw/zinc/73/54/50/338735450.db2.gz AZQBOEPIFRJFSX-CQSZACIVSA-N 0 0 301.434 3.138 10 30 DGEERN C=CCSCCNC(=O)c1ccc2ccc(OC)cc2c1 ZINC000498750904 340022536 /nfs/dbraw/zinc/02/25/36/340022536.db2.gz VHIHNVGOPMUBNG-UHFFFAOYSA-N 0 0 301.411 3.497 10 30 DGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000502513640 340106667 /nfs/dbraw/zinc/10/66/67/340106667.db2.gz CVBLLLBYOVACQR-YUTCNCBUSA-N 0 0 311.834 3.341 10 30 DGEERN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000504397331 340146978 /nfs/dbraw/zinc/14/69/78/340146978.db2.gz VIPHUCMPNMOSGU-CABCVRRESA-N 0 0 321.465 3.163 10 30 DGEERN C=CCCc1ccccc1NC(=O)NCCNC(=O)C(C)(C)C ZINC000505010403 340158617 /nfs/dbraw/zinc/15/86/17/340158617.db2.gz GLNPFSRSSHVFSP-UHFFFAOYSA-N 0 0 317.433 3.089 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000505029105 340159376 /nfs/dbraw/zinc/15/93/76/340159376.db2.gz LLQQGSDPAMKGSE-KRWDZBQOSA-N 0 0 300.402 3.448 10 30 DGEERN C=CCCc1ccccc1NC(=O)C(=O)N(CC)CCCC ZINC000505849069 340179571 /nfs/dbraw/zinc/17/95/71/340179571.db2.gz DDCAMPBKXKQESR-UHFFFAOYSA-N 0 0 302.418 3.392 10 30 DGEERN C=CCn1c(-c2ccccc2C)nnc1N1CCS[C@H](C)C1 ZINC000508488543 340244691 /nfs/dbraw/zinc/24/46/91/340244691.db2.gz KCLKHPRQRZJYER-CQSZACIVSA-N 0 0 314.458 3.381 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCO[C@@H](C2CCCCC2)C1 ZINC000508844932 340254231 /nfs/dbraw/zinc/25/42/31/340254231.db2.gz LRLDDUYVNMKUKK-MRXNPFEDSA-N 0 0 318.465 3.373 10 30 DGEERN C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](C)C1 ZINC000508905880 340255620 /nfs/dbraw/zinc/25/56/20/340255620.db2.gz BPTPDERMUNYMNU-IYBDPMFKSA-N 0 0 310.445 3.456 10 30 DGEERN C=C(C)CN(C)c1nnc(-c2ccccc2Br)n1C ZINC000508968852 340256564 /nfs/dbraw/zinc/25/65/64/340256564.db2.gz LXACGMDRKSFKJS-UHFFFAOYSA-N 0 0 321.222 3.257 10 30 DGEERN C=CCNC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000509139546 340262035 /nfs/dbraw/zinc/26/20/35/340262035.db2.gz PLXLQKITOWZMCS-AWEZNQCLSA-N 0 0 316.298 3.472 10 30 DGEERN C=CCOc1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000174232937 340384408 /nfs/dbraw/zinc/38/44/08/340384408.db2.gz WEFPDKLDYDPFPL-UHFFFAOYSA-N 0 0 313.353 3.278 10 30 DGEERN COc1cccc(F)c1[C@@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000174463740 340389104 /nfs/dbraw/zinc/38/91/04/340389104.db2.gz MBMXMJTYTKQLQC-GFCCVEGCSA-N 0 0 304.365 3.486 10 30 DGEERN CC(C)[C@@H]1C[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000185616379 340503594 /nfs/dbraw/zinc/50/35/94/340503594.db2.gz BXOZHUXGVMYYFT-GJZGRUSLSA-N 0 0 309.331 3.465 10 30 DGEERN CC1(C)CC[C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)O1 ZINC000187243937 340518600 /nfs/dbraw/zinc/51/86/00/340518600.db2.gz UWDREBROAMPFQH-HZPDHXFCSA-N 0 0 315.417 3.288 10 30 DGEERN C=CCN(CCOC)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000189845455 340540419 /nfs/dbraw/zinc/54/04/19/340540419.db2.gz 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/nfs/dbraw/zinc/05/09/41/341050941.db2.gz PMELQOWZVWQFTH-UHFFFAOYSA-N 0 0 312.417 3.279 10 30 DGEERN CC#CCCNC(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000543663737 341053351 /nfs/dbraw/zinc/05/33/51/341053351.db2.gz RHSSYHFCBJTAMH-UHFFFAOYSA-N 0 0 302.374 3.177 10 30 DGEERN C=CCCCN(C)c1ncc([N+](=O)[O-])c(C)c1Br ZINC000544395558 341080110 /nfs/dbraw/zinc/08/01/10/341080110.db2.gz ZXAAOKGFGJKXPV-UHFFFAOYSA-N 0 0 314.183 3.463 10 30 DGEERN N#CC1(c2nc(-c3cccc(-n4ccnc4)c3)no2)CCCC1 ZINC000544773460 341093556 /nfs/dbraw/zinc/09/35/56/341093556.db2.gz AUKZUAQXUCCXFF-UHFFFAOYSA-N 0 0 305.341 3.258 10 30 DGEERN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545252645 341117413 /nfs/dbraw/zinc/11/74/13/341117413.db2.gz KAULWXLHAWEHBK-LSDHHAIUSA-N 0 0 324.465 3.495 10 30 DGEERN N#C[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000132562165 341127342 /nfs/dbraw/zinc/12/73/42/341127342.db2.gz ZLQSWQNTDGTDCQ-CQSZACIVSA-N 0 0 301.777 3.103 10 30 DGEERN N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)C1CC1 ZINC000133248665 341166108 /nfs/dbraw/zinc/16/61/08/341166108.db2.gz QMLCCBWINJLWCL-XQQFMLRXSA-N 0 0 324.302 3.107 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000547356260 341208441 /nfs/dbraw/zinc/20/84/41/341208441.db2.gz UBNBNRPKPLLSBI-BXUZGUMPSA-N 0 0 315.335 3.457 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ccc(OC)c(OCCOC)c1 ZINC000077264722 341221983 /nfs/dbraw/zinc/22/19/83/341221983.db2.gz FVEABJBKLFUQBN-UHFFFAOYSA-N 0 0 322.405 3.150 10 30 DGEERN NC(=O)c1ccc(Cl)cc1OCC#Cc1ccc(F)cc1 ZINC000135294704 341235887 /nfs/dbraw/zinc/23/58/87/341235887.db2.gz XWASKRLEFCYKEV-UHFFFAOYSA-N 0 0 303.720 3.009 10 30 DGEERN C#CC[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000079206691 341255259 /nfs/dbraw/zinc/25/52/59/341255259.db2.gz HTKPMTZCOWKOOA-KFWWJZLASA-N 0 0 321.417 3.025 10 30 DGEERN C=CCn1c(CC)nnc1N(C)Cc1ccc(F)cc1Cl ZINC000548855696 341278280 /nfs/dbraw/zinc/27/82/80/341278280.db2.gz NIGXSMNRCUBENQ-UHFFFAOYSA-N 0 0 308.788 3.455 10 30 DGEERN C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000548878938 341279284 /nfs/dbraw/zinc/27/92/84/341279284.db2.gz PNFQDEICCDJGOB-HOCLYGCPSA-N 0 0 302.418 3.430 10 30 DGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC000245889838 341317482 /nfs/dbraw/zinc/31/74/82/341317482.db2.gz JHGFNCZBACQBGI-KFNAQCHYSA-N 0 0 319.430 3.197 10 30 DGEERN C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249424173 341397510 /nfs/dbraw/zinc/39/75/10/341397510.db2.gz XSCSXFWDYBBRDY-OUCADQQQSA-N 0 0 307.356 3.189 10 30 DGEERN CCc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1CC ZINC000091551361 341426581 /nfs/dbraw/zinc/42/65/81/341426581.db2.gz UAZVSVZHSFOYEY-SFHVURJKSA-N 0 0 301.434 3.278 10 30 DGEERN C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](CC)C1 ZINC000555265459 341478761 /nfs/dbraw/zinc/47/87/61/341478761.db2.gz KDQVKVLDZHKRNT-HNNXBMFYSA-N 0 0 314.433 3.469 10 30 DGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCC(C)(C#N)CC1 ZINC000564831527 341510997 /nfs/dbraw/zinc/51/09/97/341510997.db2.gz YGBIXGLXUKLDBS-CYBMUJFWSA-N 0 0 317.462 3.162 10 30 DGEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000565019610 341515311 /nfs/dbraw/zinc/51/53/11/341515311.db2.gz GPAVLBLVYVQDDN-QWQRMKEZSA-N 0 0 309.450 3.415 10 30 DGEERN C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000565499132 341529208 /nfs/dbraw/zinc/52/92/08/341529208.db2.gz SNJKUEYJQYSALH-HZPDHXFCSA-N 0 0 324.852 3.316 10 30 DGEERN C=CCN(CC=C)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000153438512 341540218 /nfs/dbraw/zinc/54/02/18/341540218.db2.gz KMLNKBVUUQSYDS-UHFFFAOYSA-N 0 0 308.403 3.439 10 30 DGEERN C=CCCCCCNC(=O)N1CCCC[C@H]1c1nc(C)no1 ZINC000566435023 341558010 /nfs/dbraw/zinc/55/80/10/341558010.db2.gz LXEYLPZXLZTEPU-AWEZNQCLSA-N 0 0 306.410 3.361 10 30 DGEERN CC[C@]1(C(C)C)NC(=O)N(CC#Cc2ccc(Cl)cc2)C1=O ZINC000154366818 341588546 /nfs/dbraw/zinc/58/85/46/341588546.db2.gz BDEYSPDREDULOR-QGZVFWFLSA-N 0 0 318.804 3.048 10 30 DGEERN C=C(C)C(C)(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573597496 341733035 /nfs/dbraw/zinc/73/30/35/341733035.db2.gz TXGRMMZTKTWUEN-UHFFFAOYSA-N 0 0 315.373 3.337 10 30 DGEERN C=CCCCCCNS(=O)(=O)Cc1ccc(F)cc1F ZINC000576411892 341845185 /nfs/dbraw/zinc/84/51/85/341845185.db2.gz JTSZVFPSRFFUNF-UHFFFAOYSA-N 0 0 303.374 3.131 10 30 DGEERN C=CCCCCCNC(=O)N1CCN(c2cccs2)CC1 ZINC000577290220 341902807 /nfs/dbraw/zinc/90/28/07/341902807.db2.gz HAKQCZGXMUFKJP-UHFFFAOYSA-N 0 0 307.463 3.326 10 30 DGEERN C[C@H](CC(=O)NC[C@H](C)C#N)c1ccc(Br)cc1 ZINC000178503930 341956493 /nfs/dbraw/zinc/95/64/93/341956493.db2.gz BMANFHHTFBBRBZ-GHMZBOCLSA-N 0 0 309.207 3.219 10 30 DGEERN C[C@@H](CO)CSc1ccc(C#N)c(Br)c1F ZINC000231861956 1177007608 /nfs/dbraw/zinc/00/76/08/1177007608.db2.gz HOWPXCLTPDRKBJ-ZETCQYMHSA-N 0 0 304.184 3.180 10 30 DGEERN N#Cc1ccc(NCCCn2ccnc2)cc1Br ZINC000228177332 1177026477 /nfs/dbraw/zinc/02/64/77/1177026477.db2.gz PMHXSNAMYIDPQM-UHFFFAOYSA-N 0 0 305.179 3.019 10 30 DGEERN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC(C)(C#N)CC1 ZINC000611561022 500998747 /nfs/dbraw/zinc/99/87/47/500998747.db2.gz XFXIVNILKAIEMN-UHFFFAOYSA-N 0 0 308.385 3.151 10 30 DGEERN C[C@@H]1CCC[C@@H](CC(=O)NCCC2CCS(=O)(=O)CC2)C1 ZINC000329039559 533739106 /nfs/dbraw/zinc/73/91/06/533739106.db2.gz ZXIJESDQLCVBMP-UKRRQHHQSA-N 0 0 315.479 3.374 10 30 DGEERN COC(=O)c1ccc(CNc2ccc3cc(C#N)ccc3n2)o1 ZINC000302693019 534149595 /nfs/dbraw/zinc/14/95/95/534149595.db2.gz FQNLXFIWFHYITR-UHFFFAOYSA-N 0 0 307.309 3.098 10 30 DGEERN Cc1cc2occ(CC(=O)Nc3cc(C#N)ccn3)c2cc1C ZINC000436017280 534151518 /nfs/dbraw/zinc/15/15/18/534151518.db2.gz BKPLTSJTFNBKPC-UHFFFAOYSA-N 0 0 305.337 3.498 10 30 DGEERN Cc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)nc1C#N ZINC000302664599 534167050 /nfs/dbraw/zinc/16/70/50/534167050.db2.gz PSBJTJBUHHRDED-UHFFFAOYSA-N 0 0 312.804 3.242 10 30 DGEERN C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000173214817 534218606 /nfs/dbraw/zinc/21/86/06/534218606.db2.gz QSEGDOXTCPLXTK-WDEREUQCSA-N 0 0 312.822 3.021 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](OCCCC)C1(C)C ZINC000469530798 534360292 /nfs/dbraw/zinc/36/02/92/534360292.db2.gz IRTJMUJFLITDPL-LVQVYYBASA-N 0 0 309.450 3.068 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000469815441 534360546 /nfs/dbraw/zinc/36/05/46/534360546.db2.gz FEBVBCIAXNBHRF-FCGDIQPGSA-N 0 0 313.441 3.495 10 30 DGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000469496993 534357447 /nfs/dbraw/zinc/35/74/47/534357447.db2.gz CBDYQZIEDOCZFA-SGIREYDYSA-N 0 0 309.356 3.166 10 30 DGEERN C=C(CC)CNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000455548789 534406733 /nfs/dbraw/zinc/40/67/33/534406733.db2.gz WXMFHHBDFYVKHG-UHFFFAOYSA-N 0 0 323.387 3.153 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000455376881 534513437 /nfs/dbraw/zinc/51/34/37/534513437.db2.gz BDYKLHJBTMARHL-OAHLLOKOSA-N 0 0 301.434 3.469 10 30 DGEERN C=CC(C)(C)CNC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455661780 534516012 /nfs/dbraw/zinc/51/60/12/534516012.db2.gz POFFGLJOUGOJLY-MRVPVSSYSA-N 0 0 307.341 3.258 10 30 DGEERN C=C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000494382233 534546916 /nfs/dbraw/zinc/54/69/16/534546916.db2.gz BXJDWYZTRIFXMX-QGZVFWFLSA-N 0 0 313.445 3.406 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000454673109 534569117 /nfs/dbraw/zinc/56/91/17/534569117.db2.gz JZDXNMAYAJTTAT-MAZHCROVSA-N 0 0 304.390 3.249 10 30 DGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000455417040 534566357 /nfs/dbraw/zinc/56/63/57/534566357.db2.gz IOQYMDBJHWILLP-RVMXOQNASA-N 0 0 320.355 3.092 10 30 DGEERN N#CC1(c2ccc(C(=O)NCCOCc3ccccc3)cc2)CC1 ZINC000181539746 534574794 /nfs/dbraw/zinc/57/47/94/534574794.db2.gz TYNVERGIVAITFK-UHFFFAOYSA-N 0 0 320.392 3.188 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000459011011 534600706 /nfs/dbraw/zinc/60/07/06/534600706.db2.gz BUZRXPPAYFWUFS-XGUBFFRZSA-N 0 0 304.390 3.106 10 30 DGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000455415948 534600819 /nfs/dbraw/zinc/60/08/19/534600819.db2.gz ROPWTUSNJSIRGU-VZEFYGNVSA-N 0 0 318.392 3.262 10 30 DGEERN N#CCCCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000170884727 534600994 /nfs/dbraw/zinc/60/09/94/534600994.db2.gz WHOYHZOGDGAAAL-KRWDZBQOSA-N 0 0 308.385 3.164 10 30 DGEERN COc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1 ZINC000000312501 523460328 /nfs/dbraw/zinc/46/03/28/523460328.db2.gz ZAMAHQCHRFBZHP-ODLFYWEKSA-N 0 0 324.409 3.461 10 30 DGEERN C=CCCCS(=O)(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000489662894 534741548 /nfs/dbraw/zinc/74/15/48/534741548.db2.gz SFZDTCBNUPLYGY-INIZCTEOSA-N 0 0 307.459 3.389 10 30 DGEERN C=CCCCS(=O)(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000489120518 534744250 /nfs/dbraw/zinc/74/42/50/534744250.db2.gz UCTGWUMOCDCEIQ-UHFFFAOYSA-N 0 0 306.431 3.170 10 30 DGEERN C=CCCCS(=O)(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000489121986 534744426 /nfs/dbraw/zinc/74/44/26/534744426.db2.gz ZXQVDVLEGAEKIH-KRWDZBQOSA-N 0 0 316.426 3.057 10 30 DGEERN N#Cc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)c(F)c1 ZINC000302178563 534789111 /nfs/dbraw/zinc/78/91/11/534789111.db2.gz PLOROKDMYPMCDE-UHFFFAOYSA-N 0 0 312.348 3.342 10 30 DGEERN N#Cc1ccnc(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000436010960 534824154 /nfs/dbraw/zinc/82/41/54/534824154.db2.gz HPHFRALYECLVOG-UHFFFAOYSA-N 0 0 308.366 3.134 10 30 DGEERN Cc1nn(CC(=O)N[C@](C)(C#N)CC(C)C)cc1-c1ccccc1 ZINC000435902185 534856577 /nfs/dbraw/zinc/85/65/77/534856577.db2.gz KMNLNQMJURJLFD-IBGZPJMESA-N 0 0 324.428 3.303 10 30 DGEERN C=CCOc1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1Cl ZINC000449467750 534883094 /nfs/dbraw/zinc/88/30/94/534883094.db2.gz JRIXRMYHRHPBEX-HNNXBMFYSA-N 0 0 317.763 3.107 10 30 DGEERN C=CCN(CCC#N)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000428879166 526271127 /nfs/dbraw/zinc/27/11/27/526271127.db2.gz GAWANOVDGGHCNP-QGZVFWFLSA-N 0 0 313.445 3.214 10 30 DGEERN C=CCN(CCOC)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000358577604 526289488 /nfs/dbraw/zinc/28/94/88/526289488.db2.gz 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/nfs/dbraw/zinc/57/07/18/526570718.db2.gz MCKHOGFCPYJGMN-HOCLYGCPSA-N 0 0 304.438 3.350 10 30 DGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(C)ccc1O ZINC000348874302 526573877 /nfs/dbraw/zinc/57/38/77/526573877.db2.gz HQSODOBBGRECTK-UHFFFAOYSA-N 0 0 314.433 3.451 10 30 DGEERN C=C(C)CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000157947175 526617864 /nfs/dbraw/zinc/61/78/64/526617864.db2.gz UOWXEIWYEBZPIU-LLVKDONJSA-N 0 0 308.250 3.444 10 30 DGEERN C=CCNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000346828023 526629363 /nfs/dbraw/zinc/62/93/63/526629363.db2.gz ZIODWWNNTWXCTC-OAHLLOKOSA-N 0 0 310.800 3.308 10 30 DGEERN C=CCNC(=O)c1ccc(NCc2ccc3ccccc3n2)nc1 ZINC000357167448 526654189 /nfs/dbraw/zinc/65/41/89/526654189.db2.gz CNAGFXKBYOBRFR-UHFFFAOYSA-N 0 0 318.380 3.158 10 30 DGEERN C=CCNC(=O)c1ccc(N[C@@H](C)c2ncc(CC)s2)nc1 ZINC000301568901 526656182 /nfs/dbraw/zinc/65/61/82/526656182.db2.gz QRAMRQDYQGNKAN-NSHDSACASA-N 0 0 316.430 3.189 10 30 DGEERN C#CCC(C)(C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000184190992 526662070 /nfs/dbraw/zinc/66/20/70/526662070.db2.gz YQPWWPJLGSEPQX-UHFFFAOYSA-N 0 0 302.393 3.278 10 30 DGEERN C#CCC(CC#C)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000288684359 526673009 /nfs/dbraw/zinc/67/30/09/526673009.db2.gz XAFNVOYEXGYNAO-HNNXBMFYSA-N 0 0 307.315 3.112 10 30 DGEERN C#CCCCCC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000180262486 526687619 /nfs/dbraw/zinc/68/76/19/526687619.db2.gz BVCSRMLXXTTZLH-RHSMWYFYSA-N 0 0 303.377 3.308 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N(C)Cc1cc(Br)cn1C ZINC000185844641 526691847 /nfs/dbraw/zinc/69/18/47/526691847.db2.gz VVXWAIJCCNABRF-LLVKDONJSA-N 0 0 313.239 3.348 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000185264357 526693876 /nfs/dbraw/zinc/69/38/76/526693876.db2.gz JFCAYTRTOKCHKT-CYBMUJFWSA-N 0 0 320.458 3.071 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H](C)C1 ZINC000183996471 526694767 /nfs/dbraw/zinc/69/47/67/526694767.db2.gz YWGZOZJHBDCDQJ-IKGGRYGDSA-N 0 0 320.477 3.250 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000185125657 526695143 /nfs/dbraw/zinc/69/51/43/526695143.db2.gz XHYWWNJHRPFOAV-MRXNPFEDSA-N 0 0 311.429 3.199 10 30 DGEERN C#CCCCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000154872719 526697468 /nfs/dbraw/zinc/69/74/68/526697468.db2.gz FVMYAZSLZJHRQL-CQSZACIVSA-N 0 0 305.447 3.144 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000183790926 526701205 /nfs/dbraw/zinc/70/12/05/526701205.db2.gz SXMLNUAFYRKDGP-DOMZBBRYSA-N 0 0 307.365 3.067 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282956343 526702088 /nfs/dbraw/zinc/70/20/88/526702088.db2.gz UKAQBCDDPAYFIY-ZBFHGGJFSA-N 0 0 315.417 3.011 10 30 DGEERN C=C(C)C[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1 ZINC000185272006 526703608 /nfs/dbraw/zinc/70/36/08/526703608.db2.gz SLUAOHBXAPKNKL-CYBMUJFWSA-N 0 0 324.446 3.379 10 30 DGEERN C=C(C)C[C@@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000184869416 526705150 /nfs/dbraw/zinc/70/51/50/526705150.db2.gz 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/nfs/dbraw/zinc/71/28/05/526712805.db2.gz HGCFJJWEOAGRRS-QWHCGFSZSA-N 0 0 308.372 3.262 10 30 DGEERN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000358809388 526717338 /nfs/dbraw/zinc/71/73/38/526717338.db2.gz SUBKTNUBYKDHAS-GDBMZVCRSA-N 0 0 309.417 3.213 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000358803518 526719562 /nfs/dbraw/zinc/71/95/62/526719562.db2.gz HUXGGJUATGAIBJ-QWHCGFSZSA-N 0 0 318.446 3.444 10 30 DGEERN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCS[C@@H](CC)C1 ZINC000338808321 526720207 /nfs/dbraw/zinc/72/02/07/526720207.db2.gz OYXWLGNTTDVQJH-AWEZNQCLSA-N 0 0 318.446 3.446 10 30 DGEERN C=C(C)Cn1c(CC(C)C)nnc1N1CCOC(C)(C)[C@H]1C ZINC000358806541 526727379 /nfs/dbraw/zinc/72/73/79/526727379.db2.gz NPYGIVYDHXGOPO-CQSZACIVSA-N 0 0 306.454 3.056 10 30 DGEERN C=CCOCCCC(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416052380 526732247 /nfs/dbraw/zinc/73/22/47/526732247.db2.gz TUMVSXQMPSNUOK-INIZCTEOSA-N 0 0 323.383 3.481 10 30 DGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCO[C@@H](CC)C1 ZINC000424250191 526735815 /nfs/dbraw/zinc/73/58/15/526735815.db2.gz PILCOSQFZFDGSE-KBPBESRZSA-N 0 0 322.478 3.038 10 30 DGEERN C=CCOCCCC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447724907 526740524 /nfs/dbraw/zinc/74/05/24/526740524.db2.gz ZDRKRRQOAGERHB-AWEZNQCLSA-N 0 0 319.298 3.370 10 30 DGEERN C=C(C)[C@@H](CC(=O)NCCc1cc(F)c(F)c(F)c1)OCC ZINC000356044223 526749390 /nfs/dbraw/zinc/74/93/90/526749390.db2.gz PIHVFJNHXKQHIY-CQSZACIVSA-N 0 0 315.335 3.134 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(CCOC)CCCCC1 ZINC000346599676 526761383 /nfs/dbraw/zinc/76/13/83/526761383.db2.gz BFUAVRGBJKGSNB-HOTGVXAUSA-N 0 0 309.450 3.071 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc(C(CC)CC)no1 ZINC000346037807 526763264 /nfs/dbraw/zinc/76/32/64/526763264.db2.gz JHSJEBOVBKMQDH-HOCLYGCPSA-N 0 0 306.406 3.176 10 30 DGEERN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccc(OCC)c1 ZINC000345711690 526764193 /nfs/dbraw/zinc/76/41/93/526764193.db2.gz 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/nfs/dbraw/zinc/83/06/13/526830613.db2.gz QYLBXKQCTWEUFD-GDBMZVCRSA-N 0 0 322.836 3.463 10 30 DGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1coc2ccc(OC)cc12 ZINC000337744709 526833033 /nfs/dbraw/zinc/83/30/33/526833033.db2.gz SXNZXVJICLKCSB-SJKOYZFVSA-N 0 0 315.369 3.152 10 30 DGEERN C=C(CC)CSCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000358639178 526861266 /nfs/dbraw/zinc/86/12/66/526861266.db2.gz ZJPHZTHIDKUTOA-UHFFFAOYSA-N 0 0 318.442 3.450 10 30 DGEERN C=C(CNC(=O)NC1(CCO)CCCCC1)c1ccccc1 ZINC000358592938 526870297 /nfs/dbraw/zinc/87/02/97/526870297.db2.gz RBCQWHMONAIRLE-UHFFFAOYSA-N 0 0 302.418 3.084 10 30 DGEERN C=C(CSc1nnc(-c2sccc2C)o1)C(=O)OCC ZINC000187688084 526885224 /nfs/dbraw/zinc/88/52/24/526885224.db2.gz XKGVZHSCUGUXLB-UHFFFAOYSA-N 0 0 310.400 3.318 10 30 DGEERN C=CCOc1ccc(CNCc2nccc(C(F)F)n2)cc1 ZINC000342275838 526887109 /nfs/dbraw/zinc/88/71/09/526887109.db2.gz XZDPDLOUVCHXNQ-UHFFFAOYSA-N 0 0 305.328 3.269 10 30 DGEERN C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000417671827 526890568 /nfs/dbraw/zinc/89/05/68/526890568.db2.gz RHUSVZVQXSXONL-RDJZCZTQSA-N 0 0 303.402 3.375 10 30 DGEERN C=CCOc1ccccc1CNC(=O)c1nc(C2CC2)oc1C ZINC000352949320 526949308 /nfs/dbraw/zinc/94/93/08/526949308.db2.gz WHAQVUZMBJYCOS-UHFFFAOYSA-N 0 0 312.369 3.355 10 30 DGEERN C=CCOc1cccnc1C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359138681 526958047 /nfs/dbraw/zinc/95/80/47/526958047.db2.gz DJGHPCMBGWRUBR-KSSFIOAISA-N 0 0 300.402 3.299 10 30 DGEERN C=CCOc1cccnc1C(=O)N[C@H](C)c1ccccc1OC ZINC000341887614 526966867 /nfs/dbraw/zinc/96/68/67/526966867.db2.gz HZDHOKJIHOGXKF-CYBMUJFWSA-N 0 0 312.369 3.146 10 30 DGEERN C=CCC(C)(C)C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000429884665 526989372 /nfs/dbraw/zinc/98/93/72/526989372.db2.gz FWPWCECKIYLZNM-UHFFFAOYSA-N 0 0 317.429 3.233 10 30 DGEERN C=CCC(C)(C)C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000292348794 526990651 /nfs/dbraw/zinc/99/06/51/526990651.db2.gz TZOFUTBTTIAIBX-UHFFFAOYSA-N 0 0 316.445 3.383 10 30 DGEERN C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000342833229 526997020 /nfs/dbraw/zinc/99/70/20/526997020.db2.gz JROPOEZEGTVIPO-LBPRGKRZSA-N 0 0 307.825 3.032 10 30 DGEERN C=CCC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000294142503 527013949 /nfs/dbraw/zinc/01/39/49/527013949.db2.gz HBBHAHVZZGWFQR-CABCVRRESA-N 0 0 315.413 3.280 10 30 DGEERN C=CCC(C)(C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352545521 527014040 /nfs/dbraw/zinc/01/40/40/527014040.db2.gz JUHJEDGMGBREDX-UHFFFAOYSA-N 0 0 301.346 3.408 10 30 DGEERN C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000116973451 527023767 /nfs/dbraw/zinc/02/37/67/527023767.db2.gz XSIJDUAWNHBXBS-TZMCWYRMSA-N 0 0 302.374 3.226 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155586264 527030954 /nfs/dbraw/zinc/03/09/54/527030954.db2.gz UETCEDYUNAAVTD-CQSZACIVSA-N 0 0 310.401 3.213 10 30 DGEERN C=CCC(CC=C)C(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000121583263 527030994 /nfs/dbraw/zinc/03/09/94/527030994.db2.gz PYMNZZPIOKENQT-MRXNPFEDSA-N 0 0 301.386 3.175 10 30 DGEERN C=CC[C@@H](CC)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000281662356 527049683 /nfs/dbraw/zinc/04/96/83/527049683.db2.gz JAAWKPDXDVANNT-VHSXEESVSA-N 0 0 315.339 3.004 10 30 DGEERN C=CCC1(C(=O)NC2CCC(C(F)F)CC2)CCOCC1 ZINC000424891723 527050109 /nfs/dbraw/zinc/05/01/09/527050109.db2.gz KFIUOFXIJRCZHO-UHFFFAOYSA-N 0 0 301.377 3.299 10 30 DGEERN C=CCC1(C(=O)NCCc2ccccc2OCC)CCOCC1 ZINC000424641828 527053216 /nfs/dbraw/zinc/05/32/16/527053216.db2.gz OBDOZUJCLFGDTL-UHFFFAOYSA-N 0 0 317.429 3.117 10 30 DGEERN C=CCC1(C(=O)NC[C@@H](C)Oc2ccccc2C)CCOCC1 ZINC000424694473 527053754 /nfs/dbraw/zinc/05/37/54/527053754.db2.gz PSHIVSANRYGSJX-MRXNPFEDSA-N 0 0 317.429 3.251 10 30 DGEERN C=CCC1(C(=O)Nc2cc(C#N)ccc2OCC)CCOCC1 ZINC000425454009 527058913 /nfs/dbraw/zinc/05/89/13/527058913.db2.gz QXQMNKOQELNEQE-UHFFFAOYSA-N 0 0 314.385 3.268 10 30 DGEERN C=CCC1(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CCC1 ZINC000189394586 527058948 /nfs/dbraw/zinc/05/89/48/527058948.db2.gz YOVQEQNYTGILGZ-CQSZACIVSA-N 0 0 310.401 3.191 10 30 DGEERN C=CCC1(C(=O)N[C@H]2C[C@H](OCC)C2(CC)CC)CCOCC1 ZINC000424698766 527059243 /nfs/dbraw/zinc/05/92/43/527059243.db2.gz AZTKTLYWINTXIH-HOTGVXAUSA-N 0 0 323.477 3.459 10 30 DGEERN C=CCC1(C(=O)Nc2cc(OC)ccc2OC)CCOCC1 ZINC000425380211 527060436 /nfs/dbraw/zinc/06/04/36/527060436.db2.gz CVVWCRWLJSONSC-UHFFFAOYSA-N 0 0 305.374 3.015 10 30 DGEERN C=CCC1(C(=O)Nc2ccc(O)cc2OCC)CCOCC1 ZINC000424804760 527060590 /nfs/dbraw/zinc/06/05/90/527060590.db2.gz ORQCMAZLEOMCLX-UHFFFAOYSA-N 0 0 305.374 3.102 10 30 DGEERN C#CCOc1ccc(F)cc1NC(=O)N1C[C@H]2CCCC[C@H]21 ZINC000377817918 527113012 /nfs/dbraw/zinc/11/30/12/527113012.db2.gz WYELDBBVRXFIDX-IUODEOHRSA-N 0 0 302.349 3.244 10 30 DGEERN C=CCCCCCN(C)C(=O)[C@H]1CCCN1CC(F)(F)F ZINC000360262928 527126456 /nfs/dbraw/zinc/12/64/56/527126456.db2.gz VVPDGTIBUKGFRH-CYBMUJFWSA-N 0 0 306.372 3.218 10 30 DGEERN C=CC[C@H](C)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000436497193 527134299 /nfs/dbraw/zinc/13/42/99/527134299.db2.gz LBUIVCHFHPAZQY-VIFPVBQESA-N 0 0 323.194 3.183 10 30 DGEERN C=CC[C@H](C)NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000433871244 527137918 /nfs/dbraw/zinc/13/79/18/527137918.db2.gz VPXCPAAWOKJZMJ-ZDUSSCGKSA-N 0 0 311.447 3.370 10 30 DGEERN C=CC[C@H](CC)NC(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000292512697 527152382 /nfs/dbraw/zinc/15/23/82/527152382.db2.gz GZJTZDODAOHPPR-NSHDSACASA-N 0 0 315.339 3.297 10 30 DGEERN C=CCCCCNC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000353232191 527160644 /nfs/dbraw/zinc/16/06/44/527160644.db2.gz KYSAFYMALBQGBE-AWEZNQCLSA-N 0 0 312.479 3.087 10 30 DGEERN C=CC[C@H](CC)NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000410123046 527162197 /nfs/dbraw/zinc/16/21/97/527162197.db2.gz ODJXUEOUCMEVNV-NSHDSACASA-N 0 0 305.328 3.235 10 30 DGEERN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295340074 527173563 /nfs/dbraw/zinc/17/35/63/527173563.db2.gz NJIYXXJQTYUTQK-XLIONFOSSA-N 0 0 306.409 3.211 10 30 DGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)cc1OCCC ZINC000130534880 527180289 /nfs/dbraw/zinc/18/02/89/527180289.db2.gz WRRLLQDPJUHLSI-UHFFFAOYSA-N 0 0 318.417 3.147 10 30 DGEERN C=CC[C@H](CO)CNC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000342208877 527180348 /nfs/dbraw/zinc/18/03/48/527180348.db2.gz MEJQTAVEWVYHEN-HOCLYGCPSA-N 0 0 307.459 3.104 10 30 DGEERN C=CCCCN(C)C(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000076488360 527181984 /nfs/dbraw/zinc/18/19/84/527181984.db2.gz SQLKGDMPLMCKLN-UHFFFAOYSA-N 0 0 314.433 3.012 10 30 DGEERN C=CCCCN(C)C(=O)NCc1ccccc1Cn1cccn1 ZINC000076940213 527184671 /nfs/dbraw/zinc/18/46/71/527184671.db2.gz JFSCUQOEYRBEML-UHFFFAOYSA-N 0 0 312.417 3.039 10 30 DGEERN C=CCCCN(C)C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000183994851 527185326 /nfs/dbraw/zinc/18/53/26/527185326.db2.gz ZRDZNOLSQTYHTG-UHFFFAOYSA-N 0 0 308.809 3.383 10 30 DGEERN C=CCCCN(C)C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000133644711 527186126 /nfs/dbraw/zinc/18/61/26/527186126.db2.gz IROLIZBVVYYEQG-UHFFFAOYSA-N 0 0 309.797 3.130 10 30 DGEERN C=CCCCN(C)C(=O)Nc1ncccc1OCCCC#N ZINC000186444515 527187892 /nfs/dbraw/zinc/18/78/92/527187892.db2.gz IQONVCHWHWBCLH-UHFFFAOYSA-N 0 0 302.378 3.194 10 30 DGEERN C=CCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000076489168 527189882 /nfs/dbraw/zinc/18/98/82/527189882.db2.gz DJPHNQKASIPAGO-UHFFFAOYSA-N 0 0 312.417 3.192 10 30 DGEERN C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000415224031 527189933 /nfs/dbraw/zinc/18/99/33/527189933.db2.gz OCIPEMXKBMFTQB-UHFFFAOYSA-N 0 0 321.442 3.051 10 30 DGEERN C=CC[C@H](CO)CNc1cc(N(CC)c2ccccc2)ncn1 ZINC000432134639 527190124 /nfs/dbraw/zinc/19/01/24/527190124.db2.gz VACRMNKQYJQNGR-HNNXBMFYSA-N 0 0 312.417 3.231 10 30 DGEERN C=CCCCN(C)C(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000340558993 527191202 /nfs/dbraw/zinc/19/12/02/527191202.db2.gz ZPGWSWMWPLCWCT-CYBMUJFWSA-N 0 0 308.447 3.384 10 30 DGEERN C=CC[C@H](CO)NC(=O)CCCc1csc2ccccc12 ZINC000185770167 527193337 /nfs/dbraw/zinc/19/33/37/527193337.db2.gz AFZRUDCBIGAVGR-CQSZACIVSA-N 0 0 303.427 3.277 10 30 DGEERN C=CCCCN(C)c1nnc([C@H](C)CC)n1C[C@@H]1CCCO1 ZINC000339023075 527194983 /nfs/dbraw/zinc/19/49/83/527194983.db2.gz IFYWFVVPCQRNNX-CABCVRRESA-N 0 0 306.454 3.373 10 30 DGEERN C=CC[C@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433805673 527202122 /nfs/dbraw/zinc/20/21/22/527202122.db2.gz WXDSOAVJYPKKKJ-GFCCVEGCSA-N 0 0 317.414 3.177 10 30 DGEERN C=CC[C@H](CO)NC(=O)c1sc(-c2ccccc2)cc1OC ZINC000185744846 527209420 /nfs/dbraw/zinc/20/94/20/527209420.db2.gz LDKCBPDWNMMTDO-CYBMUJFWSA-N 0 0 317.410 3.091 10 30 DGEERN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)C3CC3)o2)cc1 ZINC000349517343 527218340 /nfs/dbraw/zinc/21/83/40/527218340.db2.gz IYGRYXSVJZTRHF-HNNXBMFYSA-N 0 0 308.337 3.181 10 30 DGEERN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000420866380 527220658 /nfs/dbraw/zinc/22/06/58/527220658.db2.gz XNSBZIRCDNRSPK-SQNIBIBYSA-N 0 0 316.445 3.431 10 30 DGEERN C=CCCCNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437876103 527222401 /nfs/dbraw/zinc/22/24/01/527222401.db2.gz VCRMWXKSJWSGBL-OLZOCXBDSA-N 0 0 310.344 3.409 10 30 DGEERN C=CCCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000344452244 527229890 /nfs/dbraw/zinc/22/98/90/527229890.db2.gz WIDRKKGOVYFVNR-UHFFFAOYSA-N 0 0 307.353 3.442 10 30 DGEERN C=CCc1cc(C(=O)N2CCCSCC2)cc(OC)c1OC ZINC000060847397 527230662 /nfs/dbraw/zinc/23/06/62/527230662.db2.gz WXJGCWWTMHWQQK-UHFFFAOYSA-N 0 0 321.442 3.011 10 30 DGEERN CC(=O)c1ccc(C#N)cc1N[C@H](C)Cc1c(C)nn(C)c1C ZINC000302091483 527234147 /nfs/dbraw/zinc/23/41/47/527234147.db2.gz HBLYVJPWSRCSKO-LLVKDONJSA-N 0 0 310.401 3.154 10 30 DGEERN C=CCn1c(-c2ccoc2)nnc1N(C)Cc1ccc(OC)cc1 ZINC000337876751 527278909 /nfs/dbraw/zinc/27/89/09/527278909.db2.gz ZHCJMMMQOFLXHW-UHFFFAOYSA-N 0 0 324.384 3.369 10 30 DGEERN C=CCn1c(-c2ncccc2C)nnc1N(CC)CCC1CC1 ZINC000350752397 527282549 /nfs/dbraw/zinc/28/25/49/527282549.db2.gz NRUIHSXIPDVFGM-UHFFFAOYSA-N 0 0 311.433 3.461 10 30 DGEERN C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000181398272 527288037 /nfs/dbraw/zinc/28/80/37/527288037.db2.gz OQRTXPIZTYXNLG-XJKSGUPXSA-N 0 0 306.406 3.416 10 30 DGEERN C=CCn1c(C(C)C)nnc1N1CCCC[C@H](CCOC)C1 ZINC000351075116 527289966 /nfs/dbraw/zinc/28/99/66/527289966.db2.gz NWBWOKAEBYUNCW-OAHLLOKOSA-N 0 0 306.454 3.231 10 30 DGEERN C=CCn1c(C)nnc1N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000350751479 527299390 /nfs/dbraw/zinc/29/93/90/527299390.db2.gz DWYSJLZUPVURHW-MRXNPFEDSA-N 0 0 300.381 3.123 10 30 DGEERN C=CCn1c(C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000282637859 527300901 /nfs/dbraw/zinc/30/09/01/527300901.db2.gz PNVHDHMXDDJNAS-HNNXBMFYSA-N 0 0 318.808 3.004 10 30 DGEERN C=CCn1c(C2CC2)nnc1N(C[C@H]1CCCO1)C1CCCC1 ZINC000350791740 527305666 /nfs/dbraw/zinc/30/56/66/527305666.db2.gz KATCNRVBPRNKJF-MRXNPFEDSA-N 0 0 316.449 3.270 10 30 DGEERN C=CCn1c(COCC)nnc1N(C)Cc1cc(C)cc(C)c1 ZINC000337863278 527321382 /nfs/dbraw/zinc/32/13/82/527321382.db2.gz ONQCEUCSZUCMEA-UHFFFAOYSA-N 0 0 314.433 3.254 10 30 DGEERN C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)CC ZINC000337830335 527325497 /nfs/dbraw/zinc/32/54/97/527325497.db2.gz YRCGHJAUZQXEKG-UHFFFAOYSA-N 0 0 300.406 3.116 10 30 DGEERN C=CCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC ZINC000337901560 527325763 /nfs/dbraw/zinc/32/57/63/527325763.db2.gz JIGVMJBKJZVSEP-UHFFFAOYSA-N 0 0 306.797 3.153 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1ccccc1C ZINC000442901175 527338672 /nfs/dbraw/zinc/33/86/72/527338672.db2.gz NYKVSWNNSHKZOP-UHFFFAOYSA-N 0 0 315.442 3.447 10 30 DGEERN C=CCn1c(SCCC2(O)CC2)nnc1-c1ccccc1F ZINC000442911966 527339174 /nfs/dbraw/zinc/33/91/74/527339174.db2.gz LCWPZENJTRTNGO-UHFFFAOYSA-N 0 0 319.405 3.277 10 30 DGEERN C=CCn1c(SCCn2cc(C)cn2)nnc1-c1ccco1 ZINC000340666498 527340839 /nfs/dbraw/zinc/34/08/39/527340839.db2.gz UPCLTQYJSPTUFF-UHFFFAOYSA-N 0 0 315.402 3.021 10 30 DGEERN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C)C1 ZINC000337824908 527352753 /nfs/dbraw/zinc/35/27/53/527352753.db2.gz VCSJHGKOXBHILR-PBHICJAKSA-N 0 0 324.428 3.377 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000340911743 527371076 /nfs/dbraw/zinc/37/10/76/527371076.db2.gz CMDWTPNDVLXNMP-LBPRGKRZSA-N 0 0 316.426 3.203 10 30 DGEERN C=CCCO[C@@H](C)C(=O)N1CCN(c2ccccc2)C[C@@H]1CC ZINC000248395845 527373572 /nfs/dbraw/zinc/37/35/72/527373572.db2.gz PACPZXLAWUESRI-IRXDYDNUSA-N 0 0 316.445 3.095 10 30 DGEERN C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159560180 527401888 /nfs/dbraw/zinc/40/18/88/527401888.db2.gz AMVAGRVYUQQQPS-HUUCEWRRSA-N 0 0 313.401 3.031 10 30 DGEERN C=CCCS(=O)(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435438423 527416809 /nfs/dbraw/zinc/41/68/09/527416809.db2.gz PTUHDONHWMWNQS-DLBZAZTESA-N 0 0 301.411 3.191 10 30 DGEERN C=CCC[C@@H](C(=O)NC[C@H](CO)c1cccnc1)c1ccccc1 ZINC000360448762 527423665 /nfs/dbraw/zinc/42/36/65/527423665.db2.gz VJYTUHXHQRSRLQ-RTBURBONSA-N 0 0 324.424 3.024 10 30 DGEERN C=CCC[C@@H](C(=O)NCc1noc(C2CC2)n1)c1ccccc1 ZINC000427536182 527424192 /nfs/dbraw/zinc/42/41/92/527424192.db2.gz YEVFJGAAQPIROP-OAHLLOKOSA-N 0 0 311.385 3.313 10 30 DGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@@H]3CC[C@@]21C ZINC000110344463 527431662 /nfs/dbraw/zinc/43/16/62/527431662.db2.gz KQJCDKMHNQVWDV-VJWDDSFOSA-N 0 0 312.409 3.318 10 30 world DGEERN CC(C)(C#N)CC(=O)NC1(CCOCc2ccccc2)CC1 ZINC000359354360 527456586 /nfs/dbraw/zinc/45/65/86/527456586.db2.gz UBPMMXNVKKKTLB-UHFFFAOYSA-N 0 0 300.402 3.182 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2ccccc2F)CCCC1 ZINC000424930562 527493274 /nfs/dbraw/zinc/49/32/74/527493274.db2.gz GFYUPUFXSINXHJ-YOEHRIQHSA-N 0 0 317.404 3.345 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)Cc1ccccc1C ZINC000425568743 527494360 /nfs/dbraw/zinc/49/43/60/527494360.db2.gz XASXEUPNWFAVCU-SZMVWBNQSA-N 0 0 316.445 3.159 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1F)C(C)C ZINC000425855010 527494798 /nfs/dbraw/zinc/49/47/98/527494798.db2.gz LHDMGHXRJPCECV-YOEHRIQHSA-N 0 0 320.408 3.337 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCCC)cc1 ZINC000425664230 527495982 /nfs/dbraw/zinc/49/59/82/527495982.db2.gz RKMJUCNPAAYLDC-BBRMVZONSA-N 0 0 304.390 3.188 10 30 DGEERN C=CCC[C@H]1NC(=O)N(Cc2ccc(F)cc2CSC)C1=O ZINC000419926922 527496250 /nfs/dbraw/zinc/49/62/50/527496250.db2.gz BVQQGWWCQWGBNI-CQSZACIVSA-N 0 0 322.405 3.075 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000424915454 527497552 /nfs/dbraw/zinc/49/75/52/527497552.db2.gz PFQKRXOJMHXHCZ-DYEKYZERSA-N 0 0 305.443 3.194 10 30 DGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(s1)CCCCC2 ZINC000424916078 527498206 /nfs/dbraw/zinc/49/82/06/527498206.db2.gz QOEQPRQJCOVWJS-KBPBESRZSA-N 0 0 305.443 3.338 10 30 DGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000273334995 527500777 /nfs/dbraw/zinc/50/07/77/527500777.db2.gz CWLMPPUORJDVTA-RBJHHQRMSA-N 0 0 301.346 3.053 10 30 DGEERN C=C[C@@](C)(CC)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000135049447 527521825 /nfs/dbraw/zinc/52/18/25/527521825.db2.gz GMIAVEYHCGZDCO-INIZCTEOSA-N 0 0 307.463 3.004 10 30 DGEERN C=C[C@@](C)(CC)C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000344039296 527522254 /nfs/dbraw/zinc/52/22/54/527522254.db2.gz AGBQLVOQNMFISZ-IBGZPJMESA-N 0 0 317.429 3.233 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)NCCc1cccc2[nH]ccc21 ZINC000282204715 527531110 /nfs/dbraw/zinc/53/11/10/527531110.db2.gz SMJRHIIHERUZES-SFHVURJKSA-N 0 0 300.402 3.055 10 30 DGEERN C=CCN(C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)C1CC1 ZINC000347908421 527548156 /nfs/dbraw/zinc/54/81/56/527548156.db2.gz LMUVLGCFWQESNA-UHFFFAOYSA-N 0 0 322.408 3.245 10 30 DGEERN C=CCN(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000357494974 527550508 /nfs/dbraw/zinc/55/05/08/527550508.db2.gz NTLFVENHMFGPBS-UHFFFAOYSA-N 0 0 309.369 3.405 10 30 DGEERN C=CCN(C(=O)c1ccoc1C)c1nc(C(=O)OCC)cs1 ZINC000337030003 527550620 /nfs/dbraw/zinc/55/06/20/527550620.db2.gz CTBNBWVRGQLZSV-UHFFFAOYSA-N 0 0 320.370 3.054 10 30 DGEERN C=CCN(C)C(=O)c1cc(F)c(Br)cc1Cl ZINC000356904159 527569040 /nfs/dbraw/zinc/56/90/40/527569040.db2.gz OXGNQTDRIHNFQA-UHFFFAOYSA-N 0 0 306.562 3.500 10 30 DGEERN C=C[C@H](CC(=O)NC(C)(C)c1noc(CC)n1)c1ccccc1 ZINC000441712300 527575032 /nfs/dbraw/zinc/57/50/32/527575032.db2.gz GFLPUSCXKIYJBJ-CYBMUJFWSA-N 0 0 313.401 3.343 10 30 DGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000413284176 527588015 /nfs/dbraw/zinc/58/80/15/527588015.db2.gz OPKYSTITVOBNHS-TZMCWYRMSA-N 0 0 301.283 3.448 10 30 DGEERN C=CCN(CC=C)C(=O)CN(C)Cc1ccc(F)cc1Cl ZINC000337497537 527605718 /nfs/dbraw/zinc/60/57/18/527605718.db2.gz JSQFPUCQSPAGIA-UHFFFAOYSA-N 0 0 310.800 3.112 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Nc1cc(OC)cc(OC)c1C ZINC000337135001 527622021 /nfs/dbraw/zinc/62/20/21/527622021.db2.gz MDCIRINDEGEWIW-QGZVFWFLSA-N 0 0 307.390 3.180 10 30 DGEERN C=CCN(CC=C)C(=O)[C@H](C)SCc1cccc(OCC)n1 ZINC000342571424 527637072 /nfs/dbraw/zinc/63/70/72/527637072.db2.gz SDGZVYAEQRNPSV-AWEZNQCLSA-N 0 0 320.458 3.303 10 30 DGEERN C=CCN(CCC#N)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000292525993 527657671 /nfs/dbraw/zinc/65/76/71/527657671.db2.gz UPQGDKJIFUDYDW-UHFFFAOYSA-N 0 0 314.385 3.184 10 30 DGEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1 ZINC000330348512 527808869 /nfs/dbraw/zinc/80/88/69/527808869.db2.gz IUINZJVIRATXBK-LXTVHRRPSA-N 0 0 304.438 3.258 10 30 DGEERN CCO[C@@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000181104321 527932559 /nfs/dbraw/zinc/93/25/59/527932559.db2.gz CGNYCEMWAHADQC-DLBZAZTESA-N 0 0 324.424 3.319 10 30 DGEERN CCCCCCCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000192574866 528120865 /nfs/dbraw/zinc/12/08/65/528120865.db2.gz FIWYNOJHTABQLA-HNNXBMFYSA-N 0 0 323.458 3.382 10 30 DGEERN CC(C)COc1ccc([C@H](C)NS(=O)(=O)CCCC#N)cc1 ZINC000127083963 528164563 /nfs/dbraw/zinc/16/45/63/528164563.db2.gz ZURKFJLNPARFTF-AWEZNQCLSA-N 0 0 324.446 3.006 10 30 DGEERN CCC(CC)CN(CCC#N)CC(=O)Nc1ccccc1OC ZINC000173553038 528750617 /nfs/dbraw/zinc/75/06/17/528750617.db2.gz DZGISOVXJQDUMB-UHFFFAOYSA-N 0 0 317.433 3.286 10 30 DGEERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000184515173 528771514 /nfs/dbraw/zinc/77/15/14/528771514.db2.gz AAEWCFHONAIOGG-IHRRRGAJSA-N 0 0 321.218 3.422 10 30 DGEERN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000184515206 528790713 /nfs/dbraw/zinc/79/07/13/528790713.db2.gz AAEWCFHONAIOGG-MJBXVCDLSA-N 0 0 321.218 3.422 10 30 DGEERN CC1(C#N)CCN(C(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000357043903 528837800 /nfs/dbraw/zinc/83/78/00/528837800.db2.gz SYJBSCXXVLFIQY-UHFFFAOYSA-N 0 0 323.343 3.123 10 30 DGEERN CCCC[C@H](COC)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180927877 528965690 /nfs/dbraw/zinc/96/56/90/528965690.db2.gz WMSHZQRDDWAFIZ-MRXNPFEDSA-N 0 0 300.402 3.177 10 30 DGEERN CC1(C)CN(C(=O)c2cccc(CC#N)c2)CC2(CCCC2)O1 ZINC000189384557 529105798 /nfs/dbraw/zinc/10/57/98/529105798.db2.gz OATZLENSTPFBNH-UHFFFAOYSA-N 0 0 312.413 3.316 10 30 DGEERN CC[C@@H](C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000112889564 529268564 /nfs/dbraw/zinc/26/85/64/529268564.db2.gz QWCJNHMJGMSBFJ-WPRPVWTQSA-N 0 0 301.173 3.179 10 30 DGEERN CC[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)n3C)sc2C1 ZINC000448744267 529345120 /nfs/dbraw/zinc/34/51/20/529345120.db2.gz AWSLHHCWMOIERK-SNVBAGLBSA-N 0 0 314.414 3.120 10 30 DGEERN CC[C@@]1(C)CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000451284598 536039134 /nfs/dbraw/zinc/03/91/34/536039134.db2.gz PRGPGTHQHPXUHB-INIZCTEOSA-N 0 0 324.421 3.039 10 30 DGEERN CCn1nnc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc21 ZINC000065240528 545707371 /nfs/dbraw/zinc/70/73/71/545707371.db2.gz AOCFXMSURZJQJZ-UHFFFAOYSA-N 0 0 316.324 3.040 10 30 DGEERN COc1ccc(Br)c(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000230686548 546274545 /nfs/dbraw/zinc/27/45/45/546274545.db2.gz PQXDLSUEJCCFIP-HZMBPMFUSA-N 0 0 309.207 3.240 10 30 DGEERN O=C(Nc1scnc1C1CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328933661 546482660 /nfs/dbraw/zinc/48/26/60/546482660.db2.gz PUUIORXDGQZUKQ-MLGOLLRUSA-N 0 0 321.446 3.193 10 30 DGEERN Cc1cnn(CCC(=O)NC2(c3nc(C)cs3)CCC2)c1 ZINC000329273042 546484381 /nfs/dbraw/zinc/48/43/81/546484381.db2.gz ALFSGFWBUIHBEG-UHFFFAOYSA-N 0 0 304.419 3.382 10 30 DGEERN Cc1csc(C2(NC(=O)c3sccc3C#N)CCC2)n1 ZINC000329323618 546485275 /nfs/dbraw/zinc/48/52/75/546485275.db2.gz VFLWFOHNITVAFP-UHFFFAOYSA-N 0 0 303.412 3.194 10 30 DGEERN Cc1cnc([C@H](C)NC(=O)N2CCO[C@@H](C3CCCCC3)C2)o1 ZINC000329668401 546489759 /nfs/dbraw/zinc/48/97/59/546489759.db2.gz LVHCWJHDZRUMOK-DZGCQCFKSA-N 0 0 321.421 3.239 10 30 DGEERN O=C(NCC[C@@H]1CCOC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000329684806 546490188 /nfs/dbraw/zinc/49/01/88/546490188.db2.gz ZQTMACHZIGBXNJ-IJLUTSLNSA-N 0 0 308.344 3.038 10 30 DGEERN Cc1cc2cc(CNC(=O)N3CC4(C3)CCCOC4)ccc2[nH]1 ZINC000329705661 546490520 /nfs/dbraw/zinc/49/05/20/546490520.db2.gz KLLZLNPMBBSXLL-UHFFFAOYSA-N 0 0 313.401 3.003 10 30 DGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000333651231 546509727 /nfs/dbraw/zinc/50/97/27/546509727.db2.gz UVXFCQDDZJDBGT-HNHYXYPQSA-N 0 0 319.355 3.334 10 30 DGEERN OC1(C#Cc2c[nH]c3cncc(Br)c23)CCCCC1 ZINC000725246049 549811165 /nfs/dbraw/zinc/81/11/65/549811165.db2.gz QAKUYRLIMZWIOL-UHFFFAOYSA-N 0 0 319.202 3.372 10 30 DGEERN Brc1cncc2[nH]cc(C#CC[NH+]3CCCCC3)c21 ZINC000725246310 549811339 /nfs/dbraw/zinc/81/13/39/549811339.db2.gz USIQMUUDDMGXKB-UHFFFAOYSA-N 0 0 318.218 3.163 10 30 DGEERN C#CCOc1ccc([C@@H](C)OC(=O)Cc2csc(C)n2)cc1 ZINC000730427706 574528948 /nfs/dbraw/zinc/52/89/48/574528948.db2.gz OIMIIXNNBTYUNG-GFCCVEGCSA-N 0 0 315.394 3.310 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H]1CC1(Cl)Cl ZINC000730424920 574529243 /nfs/dbraw/zinc/52/92/43/574529243.db2.gz KNBPNYURZFQHPK-PWSUYJOCSA-N 0 0 313.180 3.497 10 30 DGEERN C#CCOc1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)cc1 ZINC000731112749 574543861 /nfs/dbraw/zinc/54/38/61/574543861.db2.gz DEHZDLOXTQQJTD-SFHVURJKSA-N 0 0 320.392 3.378 10 30 DGEERN CCc1ccc(C=NNc2ccc(S(C)(=O)=O)cc2)s1 ZINC000731151949 574544055 /nfs/dbraw/zinc/54/40/55/574544055.db2.gz SOTUPMDCAUOYET-UHFFFAOYSA-N 0 0 308.428 3.160 10 30 DGEERN C[C@@H](Cc1ccccc1)C(=O)OCCOc1ccccc1C#N ZINC000732583701 574576082 /nfs/dbraw/zinc/57/60/82/574576082.db2.gz HVHXYAKTIWKAAJ-HNNXBMFYSA-N 0 0 309.365 3.359 10 30 DGEERN CCCCCC[C@H](C)CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000732649308 574577764 /nfs/dbraw/zinc/57/77/64/574577764.db2.gz FEHQQYRSSJLGGX-RDJZCZTQSA-N 0 0 305.466 3.182 10 30 DGEERN CCCCCC[C@H](C)CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732649306 574577810 /nfs/dbraw/zinc/57/78/10/574577810.db2.gz FEHQQYRSSJLGGX-DOTOQJQBSA-N 0 0 305.466 3.182 10 30 DGEERN C#CCOc1ccccc1[C@@H](C)OC(=O)C1CCSCC1 ZINC000733053743 574593604 /nfs/dbraw/zinc/59/36/04/574593604.db2.gz MTXOXFQNKZFFNE-CYBMUJFWSA-N 0 0 304.411 3.446 10 30 DGEERN C#CCCNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000733246137 574609846 /nfs/dbraw/zinc/60/98/46/574609846.db2.gz FVVJFNFVLZQHIM-UHFFFAOYSA-N 0 0 315.376 3.292 10 30 DGEERN C#CCCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000733248183 574610089 /nfs/dbraw/zinc/61/00/89/574610089.db2.gz OCDVWSVURJHNFC-UHFFFAOYSA-N 0 0 304.393 3.002 10 30 DGEERN C#CCCNC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 ZINC000733247787 574610107 /nfs/dbraw/zinc/61/01/07/574610107.db2.gz AGBLKHAKLNNLAH-UHFFFAOYSA-N 0 0 305.377 3.288 10 30 DGEERN C#CCCNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000733247661 574610122 /nfs/dbraw/zinc/61/01/22/574610122.db2.gz MVYADELZXKOWJY-UHFFFAOYSA-N 0 0 323.352 3.161 10 30 DGEERN C#CCCNS(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000733321579 574615319 /nfs/dbraw/zinc/61/53/19/574615319.db2.gz GVSUXSJAHFMDFW-UHFFFAOYSA-N 0 0 315.394 3.089 10 30 DGEERN C#CCCNC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000733339653 574617343 /nfs/dbraw/zinc/61/73/43/574617343.db2.gz PMWPUTCRDJZDJR-UHFFFAOYSA-N 0 0 308.381 3.088 10 30 DGEERN C#CCCNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000733355529 574617588 /nfs/dbraw/zinc/61/75/88/574617588.db2.gz AKTUQCQRDWNTAP-UHFFFAOYSA-N 0 0 314.335 3.377 10 30 DGEERN COc1ccc(C=NNCc2cccc3cccnc32)cc1C#N ZINC000741761026 574628689 /nfs/dbraw/zinc/62/86/89/574628689.db2.gz HXHVCDPAFKLDLR-UHFFFAOYSA-N 0 0 316.364 3.239 10 30 DGEERN C#CCCNC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000733618687 574631892 /nfs/dbraw/zinc/63/18/92/574631892.db2.gz AODYZXFFQOWIDX-UHFFFAOYSA-N 0 0 313.382 3.145 10 30 DGEERN C#CCCNC(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000733627449 574632733 /nfs/dbraw/zinc/63/27/33/574632733.db2.gz KJGUIZZLEQTXKN-UHFFFAOYSA-N 0 0 307.397 3.468 10 30 DGEERN C#CCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000733634589 574632734 /nfs/dbraw/zinc/63/27/34/574632734.db2.gz RYYMLOARJUPUEY-UHFFFAOYSA-N 0 0 305.337 3.495 10 30 DGEERN C#CCOc1cccc(COC(=O)CO[C@H]2CCCC[C@H]2C)c1 ZINC000733698731 574634672 /nfs/dbraw/zinc/63/46/72/574634672.db2.gz YGVQBCQBNKVOAD-QAPCUYQASA-N 0 0 316.397 3.337 10 30 DGEERN C=C(COC(=O)c1cc2c(nc(C)cc2C)s1)C(=O)OCC ZINC000734027850 574647598 /nfs/dbraw/zinc/64/75/98/574647598.db2.gz SOAACFXYFJGUEA-UHFFFAOYSA-N 0 0 319.382 3.189 10 30 DGEERN C=C(COC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000734025007 574648325 /nfs/dbraw/zinc/64/83/25/574648325.db2.gz WVSLZQMGHPNZHZ-UHFFFAOYSA-N 0 0 324.376 3.481 10 30 DGEERN C#CCOc1ccccc1CNC(=O)CCc1ccc(C)cc1 ZINC000734103291 574650071 /nfs/dbraw/zinc/65/00/71/574650071.db2.gz XGUOUJQPOGQFTL-UHFFFAOYSA-N 0 0 307.393 3.256 10 30 DGEERN C=CC[C@@H](NS(=O)(=O)c1cc(C)sc1C)c1ccncc1 ZINC000734505092 574665553 /nfs/dbraw/zinc/66/55/53/574665553.db2.gz XXXRIAUUTSQMNV-CQSZACIVSA-N 0 0 322.455 3.356 10 30 DGEERN C=CC[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccncc1 ZINC000734670073 574672677 /nfs/dbraw/zinc/67/26/77/574672677.db2.gz YNGNKYRFSJKEFH-KRWDZBQOSA-N 0 0 324.359 3.209 10 30 DGEERN C=CC[C@@H](NC(=O)N1CCc2cc(OC)ccc21)c1ccncc1 ZINC000734682156 574673075 /nfs/dbraw/zinc/67/30/75/574673075.db2.gz AHBOMJHMVAJIDH-QGZVFWFLSA-N 0 0 323.396 3.480 10 30 DGEERN N#CCOc1ccc(Cl)cc1CON=C(N)c1ccsc1 ZINC000735303628 574696324 /nfs/dbraw/zinc/69/63/24/574696324.db2.gz YSMUFKFHGJIJRE-UHFFFAOYSA-N 0 0 321.789 3.351 10 30 DGEERN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CC(C)(C)O1 ZINC000735309573 574697241 /nfs/dbraw/zinc/69/72/41/574697241.db2.gz IWCYRCSWUKWZSH-LBPRGKRZSA-N 0 0 308.809 3.242 10 30 DGEERN Cc1c[nH]cc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735346719 574699171 /nfs/dbraw/zinc/69/91/71/574699171.db2.gz YCONGCWTOQCVEB-UHFFFAOYSA-N 0 0 304.733 3.236 10 30 DGEERN N#CCOc1ccc(Cl)cc1COC(=O)CC1CCOCC1 ZINC000735355627 574699458 /nfs/dbraw/zinc/69/94/58/574699458.db2.gz QKMVOIAKTYXAAQ-UHFFFAOYSA-N 0 0 323.776 3.102 10 30 DGEERN CC[C@H](C#N)Oc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000735487728 574703587 /nfs/dbraw/zinc/70/35/87/574703587.db2.gz XGDZFGPPDVFXTL-CQSZACIVSA-N 0 0 312.329 3.283 10 30 DGEERN C=CCCCN(C)Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000736581182 574759510 /nfs/dbraw/zinc/75/95/10/574759510.db2.gz AAYBLOYQYHXYHR-UHFFFAOYSA-N 0 0 306.435 3.375 10 30 DGEERN C=CC[C@@H](NC(=O)NC[C@@](C)(O)CCC(C)C)c1ccncc1 ZINC000741089099 574950912 /nfs/dbraw/zinc/95/09/12/574950912.db2.gz KYOQZNYMGGYOAM-AEFFLSMTSA-N 0 0 319.449 3.185 10 30 DGEERN C#CCN(CC#CC)C(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000742129758 574981711 /nfs/dbraw/zinc/98/17/11/574981711.db2.gz DFVDOPXHELFPFN-UHFFFAOYSA-N 0 0 302.736 3.059 10 30 DGEERN C#CCCCNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000742784488 575018840 /nfs/dbraw/zinc/01/88/40/575018840.db2.gz XWZRBAYGKDYCNF-HXUWFJFHSA-N 0 0 318.420 3.320 10 30 DGEERN CC(Cc1cccs1)N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000729637718 575257812 /nfs/dbraw/zinc/25/78/12/575257812.db2.gz RKESFZJCURRZLZ-UHFFFAOYSA-N 0 0 308.428 3.182 10 30 DGEERN O=C(/C=C/c1cnn2ccccc12)c1cnn(-c2ccccc2)c1 ZINC000729644181 575258388 /nfs/dbraw/zinc/25/83/88/575258388.db2.gz REKWCYABDLAWJH-MDZDMXLPSA-N 0 0 314.348 3.416 10 30 DGEERN FC(F)Oc1ccc(NN=Cc2cnn3ccccc23)cc1 ZINC000729638903 575259167 /nfs/dbraw/zinc/25/91/67/575259167.db2.gz LJRHQXUKIFPMNB-UHFFFAOYSA-N 0 0 302.284 3.382 10 30 DGEERN C=CCOC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000729749823 575262006 /nfs/dbraw/zinc/26/20/06/575262006.db2.gz KRWMTDHONRYVFU-MCIONIFRSA-N 0 0 309.406 3.284 10 30 DGEERN C[C@H](NC(=S)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000729821602 575264075 /nfs/dbraw/zinc/26/40/75/575264075.db2.gz PYIXZPUIELTQTH-LBPRGKRZSA-N 0 0 313.401 3.423 10 30 DGEERN CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(O)cc1F ZINC000729932213 575266778 /nfs/dbraw/zinc/26/67/78/575266778.db2.gz HSJKMLNFOCDDFT-UHFFFAOYSA-N 0 0 317.217 3.319 10 30 DGEERN C#Cc1cccc(NC(=S)N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000726453462 576023088 /nfs/dbraw/zinc/02/30/88/576023088.db2.gz GMBWEIOAVTZKIP-LBPRGKRZSA-N 0 0 324.405 3.444 10 30 DGEERN C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)[nH]c1C ZINC000726754839 576039297 /nfs/dbraw/zinc/03/92/97/576039297.db2.gz TTXJHTJKKLNFKA-UHFFFAOYSA-N 0 0 318.380 3.381 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000727060639 576099415 /nfs/dbraw/zinc/09/94/15/576099415.db2.gz TZENLTSSEQPGIJ-UHFFFAOYSA-N 0 0 318.323 3.250 10 30 DGEERN CC(=NNCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000727062352 576099543 /nfs/dbraw/zinc/09/95/43/576099543.db2.gz UBXUMEQIXXBWLX-UHFFFAOYSA-N 0 0 305.284 3.387 10 30 DGEERN COc1ccc(-c2n[nH]cc2C=NNc2ccc(C)cn2)cc1 ZINC000727259626 576116150 /nfs/dbraw/zinc/11/61/50/576116150.db2.gz IMTXFJJOHSMQSN-UHFFFAOYSA-N 0 0 307.357 3.235 10 30 DGEERN CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(F)cc1O ZINC000727776916 576145121 /nfs/dbraw/zinc/14/51/21/576145121.db2.gz IAKRDMYFHSLBHJ-UHFFFAOYSA-N 0 0 317.217 3.319 10 30 DGEERN C=C(C)CNC(=S)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728226878 576170280 /nfs/dbraw/zinc/17/02/80/576170280.db2.gz MXKSXNMDQSEHMH-CYBMUJFWSA-N 0 0 304.415 3.003 10 30 DGEERN C=C(Br)CNC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000728749854 576198505 /nfs/dbraw/zinc/19/85/05/576198505.db2.gz YBZQFYUGLFHSAU-NWDGAFQWSA-N 0 0 303.244 3.409 10 30 DGEERN C#Cc1ccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)cn1 ZINC000728806260 576207007 /nfs/dbraw/zinc/20/70/07/576207007.db2.gz VVJMJJWPESMOFB-LJQANCHMSA-N 0 0 314.344 3.404 10 30 DGEERN C#Cc1ccc(C(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)cn1 ZINC000728810265 576208091 /nfs/dbraw/zinc/20/80/91/576208091.db2.gz FSDTXPPJFPVCPQ-IBGZPJMESA-N 0 0 320.392 3.221 10 30 DGEERN COc1ccc(OCCCC(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000154190480 620646413 /nfs/dbraw/zinc/64/64/13/620646413.db2.gz RAPKLQKNCMUMBO-HNNXBMFYSA-N 0 0 305.374 3.336 10 30 DGEERN COc1ccc(COCCCC(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000154165350 618090628 /nfs/dbraw/zinc/09/06/28/618090628.db2.gz YACCCSOTPLLCLP-INIZCTEOSA-N 0 0 319.401 3.473 10 30 DGEERN C[C@H](Cc1ccccc1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000111949966 620771774 /nfs/dbraw/zinc/77/17/74/620771774.db2.gz CFHFCMNYZRQNHP-OAHLLOKOSA-N 0 0 309.365 3.306 10 30 DGEERN C#CCCCCNC(=O)NCc1ccccc1OC1CCC1 ZINC000150809694 620399378 /nfs/dbraw/zinc/39/93/78/620399378.db2.gz NOZRYGRUTNJYRD-UHFFFAOYSA-N 0 0 300.402 3.221 10 30 DGEERN CCc1cccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)c1 ZINC000152304797 620501044 /nfs/dbraw/zinc/50/10/44/620501044.db2.gz MIZGTCYPSLMLAD-KRWDZBQOSA-N 0 0 306.365 3.139 10 30 DGEERN N#C[C@H](COC(=O)Cc1ccc(F)c(F)c1)Cc1cccs1 ZINC000153293993 620546833 /nfs/dbraw/zinc/54/68/33/620546833.db2.gz VIWZDJUDGACRTG-GFCCVEGCSA-N 0 0 321.348 3.494 10 30 DGEERN CCc1nc(CC(=O)OC[C@@H](C#N)Cc2cccs2)cs1 ZINC000153350451 620553469 /nfs/dbraw/zinc/55/34/69/620553469.db2.gz LBIVHDKCXKEMNJ-LLVKDONJSA-N 0 0 320.439 3.235 10 30 DGEERN COc1ccc(COc2ccc(Br)nc2)cc1C#N ZINC000153540765 620578358 /nfs/dbraw/zinc/57/83/58/620578358.db2.gz OEIUZSBBHKNQFH-UHFFFAOYSA-N 0 0 319.158 3.303 10 30 DGEERN C#CCOc1ccccc1OC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000112817391 620856082 /nfs/dbraw/zinc/85/60/82/620856082.db2.gz QUWAJXRWALZOLQ-HUUCEWRRSA-N 0 0 302.370 3.199 10 30 DGEERN C#CC[C@@H](OC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccccn1 ZINC000113660904 620935169 /nfs/dbraw/zinc/93/51/69/620935169.db2.gz FJAWFWYIDWFMFG-CXAGYDPISA-N 0 0 313.328 3.296 10 30 DGEERN CCCCCCCCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114870044 621058117 /nfs/dbraw/zinc/05/81/17/621058117.db2.gz APYAWAIFURDZMS-HNNXBMFYSA-N 0 0 320.481 3.412 10 30 DGEERN CC(C)(C)/C=C/C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000116727692 621276483 /nfs/dbraw/zinc/27/64/83/621276483.db2.gz YRCRAEJHEBRTSP-MDZDMXLPSA-N 0 0 311.429 3.199 10 30 DGEERN C=C(C)COCCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000119651331 621711700 /nfs/dbraw/zinc/71/17/00/621711700.db2.gz VHYZRYYNHKRVJM-UHFFFAOYSA-N 0 0 304.777 3.211 10 30 DGEERN CCc1oc(C(=O)Nc2ccc(F)cc2OCC#N)cc1C ZINC000120264184 621821985 /nfs/dbraw/zinc/82/19/85/621821985.db2.gz KEUAGIYUJVOHRZ-UHFFFAOYSA-N 0 0 302.305 3.444 10 30 DGEERN C=CCC(CC=C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000120945246 622059941 /nfs/dbraw/zinc/05/99/41/622059941.db2.gz IDOIDUHRGHFAAN-UHFFFAOYSA-N 0 0 300.402 3.230 10 30 DGEERN CN(Cc1ccc(C#N)o1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121872591 622187711 /nfs/dbraw/zinc/18/77/11/622187711.db2.gz RCLALMCAOYGIBA-UHFFFAOYSA-N 0 0 305.721 3.345 10 30 DGEERN COc1ccccc1[C@H](O)CNc1cc(Cl)ccc1C#N ZINC000122620272 622366578 /nfs/dbraw/zinc/36/65/78/622366578.db2.gz RBVBMUQGIZQNFA-OAHLLOKOSA-N 0 0 302.761 3.366 10 30 DGEERN C#CCN(C(=O)N[C@@H](C)c1c(F)cccc1OC)C1CCCC1 ZINC000122953416 622434548 /nfs/dbraw/zinc/43/45/48/622434548.db2.gz LLEAHKXKSBLPJM-ZDUSSCGKSA-N 0 0 318.392 3.483 10 30 DGEERN CCCCSCCC(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000124170182 622946522 /nfs/dbraw/zinc/94/65/22/622946522.db2.gz OIXYMRKWNINJFU-ZDUSSCGKSA-N 0 0 320.462 3.104 10 30 DGEERN C#CCOc1cccc(COC(=O)C[C@H](C)c2ccncc2)c1 ZINC000124466638 623100873 /nfs/dbraw/zinc/10/08/73/623100873.db2.gz BJFAKXOSEXMVLR-HNNXBMFYSA-N 0 0 309.365 3.331 10 30 DGEERN C#CCOc1cc(F)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000125509281 623471291 /nfs/dbraw/zinc/47/12/91/623471291.db2.gz FKOIWXQXYQFRNT-UHFFFAOYSA-N 0 0 308.312 3.270 10 30 DGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000126154980 623700507 /nfs/dbraw/zinc/70/05/07/623700507.db2.gz SQJDGDXTXJJREM-DZGCQCFKSA-N 0 0 304.390 3.232 10 30 DGEERN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)O[C@H](C#N)C(C)(C)C)C1 ZINC000126389528 623818009 /nfs/dbraw/zinc/81/80/09/623818009.db2.gz AKJLDAJHZZIZKS-CHWSQXEVSA-N 0 0 324.421 3.115 10 30 DGEERN CCCN(CC)c1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cn1 ZINC000127651067 624500481 /nfs/dbraw/zinc/50/04/81/624500481.db2.gz CPKJNWLTJWXDFK-AWEZNQCLSA-N 0 0 303.406 3.413 10 30 DGEERN C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C#N)C1CC1 ZINC000130518402 625864776 /nfs/dbraw/zinc/86/47/76/625864776.db2.gz RUQJATXYXBPCAC-SKDRFNHKSA-N 0 0 317.439 3.195 10 30 DGEERN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C#N)C1CC1 ZINC000130518593 625865049 /nfs/dbraw/zinc/86/50/49/625865049.db2.gz RUQJATXYXBPCAC-JOYOIKCWSA-N 0 0 317.439 3.195 10 30 DGEERN COc1cccc(CO[C@H](C)C(=O)O[C@@H](C)C(C)(C)C#N)c1 ZINC000130621269 625880237 /nfs/dbraw/zinc/88/02/37/625880237.db2.gz BSUPIUAAPWNNML-OLZOCXBDSA-N 0 0 305.374 3.082 10 30 DGEERN CC(=O)C1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000213895393 625900012 /nfs/dbraw/zinc/90/00/12/625900012.db2.gz ICIPYGIXQWVKMA-UHFFFAOYSA-N 0 0 307.191 3.126 10 30 DGEERN CCCN(CC(F)F)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131106517 625944750 /nfs/dbraw/zinc/94/47/50/625944750.db2.gz QKMKQRZLARQWMM-UHFFFAOYSA-N 0 0 319.359 3.060 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCc1ccccc1N1CCCCC1 ZINC000133041325 626761481 /nfs/dbraw/zinc/76/14/81/626761481.db2.gz IUUDTHUYPYISEC-UHFFFAOYSA-N 0 0 323.396 3.244 10 30 DGEERN C#C[C@H](OC(=O)[C@H](C)Oc1ccc(Br)cc1)C1CC1 ZINC000134102860 626855878 /nfs/dbraw/zinc/85/58/78/626855878.db2.gz BGYTVUSCRLRICA-HZMBPMFUSA-N 0 0 323.186 3.171 10 30 DGEERN C#CCOc1cccc(COC(=O)CC2CCSCC2)c1 ZINC000135096223 626908662 /nfs/dbraw/zinc/90/86/62/626908662.db2.gz NEVDNFRUYAQXLD-UHFFFAOYSA-N 0 0 304.411 3.275 10 30 DGEERN C=CCn1c(C)nn(CN(CCC)C[C@H]2CCCCO2)c1=S ZINC000106856144 631475570 /nfs/dbraw/zinc/47/55/70/631475570.db2.gz HYXNOPMPCARZPS-OAHLLOKOSA-N 0 0 324.494 3.147 10 30 DGEERN Cc1cc(C(=O)N[C@H](C#N)C2CC2)c(C)n1Cc1ccccc1 ZINC000108828233 631946292 /nfs/dbraw/zinc/94/62/92/631946292.db2.gz ZAWKIDRFWIKJRF-GOSISDBHSA-N 0 0 307.397 3.185 10 30 DGEERN COc1ccc(C(=O)CCC(=O)OCC(C)(C)CC#N)cc1 ZINC000184768119 660186145 /nfs/dbraw/zinc/18/61/45/660186145.db2.gz QYVMYIAURQVBIR-UHFFFAOYSA-N 0 0 303.358 3.141 10 30 DGEERN C#CCC(C)(C)COC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000185363625 660217538 /nfs/dbraw/zinc/21/75/38/660217538.db2.gz OGRSNTMOFHAIQK-UHFFFAOYSA-N 0 0 312.369 3.262 10 30 DGEERN C#CCC(C)(C)COC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000185358500 660218544 /nfs/dbraw/zinc/21/85/44/660218544.db2.gz KJMMMOLIKRZJNR-CSKARUKUSA-N 0 0 302.370 3.310 10 30 DGEERN C#CCC(C)(C)COC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000185356841 660218602 /nfs/dbraw/zinc/21/86/02/660218602.db2.gz OFQUKDHNQGHUEB-UHFFFAOYSA-N 0 0 318.388 3.467 10 30 DGEERN C#CCC(C)(C)COC(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000185373613 660218921 /nfs/dbraw/zinc/21/89/21/660218921.db2.gz JZGCDBFWHAOGKT-UHFFFAOYSA-N 0 0 320.360 3.390 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C(C)=Cc1ccc(F)cc1 ZINC000175096379 659915981 /nfs/dbraw/zinc/91/59/81/659915981.db2.gz KXTGDJLWQMVHHI-BYIUCRAPSA-N 0 0 316.376 3.244 10 30 DGEERN C=CC[C@@H](CO)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000185896799 660252649 /nfs/dbraw/zinc/25/26/49/660252649.db2.gz VSNYADFXYPYGAC-ZDUSSCGKSA-N 0 0 322.364 3.162 10 30 DGEERN CC#CCCCC(=O)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000186255563 660355755 /nfs/dbraw/zinc/35/57/55/660355755.db2.gz WYALLFCJIPWQTP-AWEZNQCLSA-N 0 0 309.406 3.123 10 30 DGEERN Cc1cccc(OCC(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000079222656 660490965 /nfs/dbraw/zinc/49/09/65/660490965.db2.gz TUVBREBEFYHADN-KRWDZBQOSA-N 0 0 309.365 3.300 10 30 DGEERN C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000186948224 660598521 /nfs/dbraw/zinc/59/85/21/660598521.db2.gz HLQPMWVQMMJPRE-RDJZCZTQSA-N 0 0 318.417 3.273 10 30 DGEERN C#C[C@@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000700595952 660630184 /nfs/dbraw/zinc/63/01/84/660630184.db2.gz WHIDAFBGRZHLQD-LLVKDONJSA-N 0 0 312.196 3.244 10 30 DGEERN N#Cc1ccc(N2CCO[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000704765959 660818063 /nfs/dbraw/zinc/81/80/63/660818063.db2.gz OJIXMDQSXFIZOZ-SNVBAGLBSA-N 0 0 304.699 3.369 10 30 DGEERN CON=Cc1ccc(C(=O)NCc2ccc(SC)cc2)cc1 ZINC000254916136 655543494 /nfs/dbraw/zinc/54/34/94/655543494.db2.gz KTBOXZDFRIGYCE-UHFFFAOYSA-N 0 0 314.410 3.319 10 30 DGEERN C=CCCN(Cc1nnc(C(C)C)n1C)OCc1ccccc1 ZINC000187375056 655545492 /nfs/dbraw/zinc/54/54/92/655545492.db2.gz AABBLNRVYQUWPR-UHFFFAOYSA-N 0 0 314.433 3.448 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1c(F)c(F)cc(F)c1F ZINC000187557718 655550964 /nfs/dbraw/zinc/55/09/64/655550964.db2.gz NOMTUENVVCDYNU-AWEZNQCLSA-N 0 0 306.255 3.377 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)Oc1ccc(CCC(C)=O)cc1 ZINC000187557013 655550967 /nfs/dbraw/zinc/55/09/67/655550967.db2.gz ZXDKBLHQUXJKIG-GOSISDBHSA-N 0 0 304.386 3.342 10 30 DGEERN N#Cc1ccc(OS(=O)(=O)/C=C\c2ccccc2)c(F)c1 ZINC000255110856 655600520 /nfs/dbraw/zinc/60/05/20/655600520.db2.gz MCZKFQZLUBWSKX-HJWRWDBZSA-N 0 0 303.314 3.077 10 30 DGEERN C#CC[C@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C(C)C ZINC000177719069 655628555 /nfs/dbraw/zinc/62/85/55/655628555.db2.gz DDJHYZWASVKCBQ-ZDUSSCGKSA-N 0 0 311.422 3.271 10 30 DGEERN C=C[C@H](C)OC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000187576788 655663875 /nfs/dbraw/zinc/66/38/75/655663875.db2.gz BZAJLXOYVMCSGD-AWEZNQCLSA-N 0 0 310.438 3.296 10 30 DGEERN CC(C)[C@@H](C#N)OC(=O)c1cc(F)cc(Br)c1 ZINC000176032027 655715804 /nfs/dbraw/zinc/71/58/04/655715804.db2.gz BEHICVOPCMNTPM-LLVKDONJSA-N 0 0 300.127 3.293 10 30 DGEERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](C#N)CC ZINC000255372611 655720570 /nfs/dbraw/zinc/72/05/70/655720570.db2.gz ULXPWYOBMLTEKF-YDZSZYSISA-N 0 0 323.396 3.455 10 30 DGEERN N#C[C@@H](OC(=O)CCc1ccc(Br)cc1)C1CC1 ZINC000176076264 655731964 /nfs/dbraw/zinc/73/19/64/655731964.db2.gz ZEPNOFVQWWAFCP-CYBMUJFWSA-N 0 0 308.175 3.227 10 30 DGEERN N#Cc1cc(NS(=O)(=O)/C=C/c2ccc(F)cc2)ccc1F ZINC000176704247 655787010 /nfs/dbraw/zinc/78/70/10/655787010.db2.gz XLZGDEACSRAXHS-BQYQJAHWSA-N 0 0 320.320 3.249 10 30 DGEERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C#N)cc2C)c1 ZINC000161403101 655794153 /nfs/dbraw/zinc/79/41/53/655794153.db2.gz ISMZWEZRZVXSLI-GFCCVEGCSA-N 0 0 310.353 3.072 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000187584804 655810123 /nfs/dbraw/zinc/81/01/23/655810123.db2.gz IWKOLPSRWNNPQT-MAUKXSAKSA-N 0 0 319.376 3.280 10 30 DGEERN C#Cc1cccc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)c1 ZINC000155736644 655810435 /nfs/dbraw/zinc/81/04/35/655810435.db2.gz ABRKBOFOSTWMBF-NVXWUHKLSA-N 0 0 300.402 3.121 10 30 DGEERN C=C[C@H](C)OC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000187587403 655812437 /nfs/dbraw/zinc/81/24/37/655812437.db2.gz UZFCEFXIVUDGKH-LBPRGKRZSA-N 0 0 305.374 3.443 10 30 DGEERN CCC[C@@H](CC)OC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000157391638 655822354 /nfs/dbraw/zinc/82/23/54/655822354.db2.gz CVVJZSKTFCYZMB-OAHLLOKOSA-N 0 0 305.422 3.468 10 30 DGEERN C=CCOC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000157379483 655822392 /nfs/dbraw/zinc/82/23/92/655822392.db2.gz ABFASHQMEYDTHS-UHFFFAOYSA-N 0 0 311.366 3.339 10 30 DGEERN C=C(C)CNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000157546687 655823964 /nfs/dbraw/zinc/82/39/64/655823964.db2.gz ZFOBUAUZBUYECZ-HXUWFJFHSA-N 0 0 306.309 3.012 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000187588331 655841184 /nfs/dbraw/zinc/84/11/84/655841184.db2.gz VBNAVKCQFBKBBO-PXAZEXFGSA-N 0 0 302.374 3.396 10 30 DGEERN CCc1noc(C)c1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000162109196 655846849 /nfs/dbraw/zinc/84/68/49/655846849.db2.gz YTPNWROFDYMCAV-SNVBAGLBSA-N 0 0 314.345 3.480 10 30 DGEERN C=CCC[C@@H](OC(=O)CCc1cccc(C(=O)NC)c1)C1CC1 ZINC000159504057 655848131 /nfs/dbraw/zinc/84/81/31/655848131.db2.gz AKXIMRKSVMEZRY-QGZVFWFLSA-N 0 0 315.413 3.267 10 30 DGEERN C#CC[C@H](OC(=O)CCc1nc(-c2ccoc2)no1)C(C)(C)C ZINC000159725732 655851080 /nfs/dbraw/zinc/85/10/80/655851080.db2.gz PJRPXPJONAARDF-ZDUSSCGKSA-N 0 0 316.357 3.243 10 30 DGEERN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)Cc1ccc(OC)cc1 ZINC000187593236 655866025 /nfs/dbraw/zinc/86/60/25/655866025.db2.gz HZCTZJINCJENPC-KBXCAEBGSA-N 0 0 306.402 3.398 10 30 DGEERN Cc1nnc(CON=Cc2ccccc2OC(F)F)n1C1CC1 ZINC000255615315 655872394 /nfs/dbraw/zinc/87/23/94/655872394.db2.gz VRBNFISJYUEFAV-UHFFFAOYSA-N 0 0 322.315 3.074 10 30 DGEERN N#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000177019512 655886202 /nfs/dbraw/zinc/88/62/02/655886202.db2.gz CXWRWFCKWNSODY-MCIONIFRSA-N 0 0 320.186 3.398 10 30 DGEERN N#Cc1ccccc1OS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255878042 655935797 /nfs/dbraw/zinc/93/57/97/655935797.db2.gz CQQDJQSIEBBSDC-KTKRTIGZSA-N 0 0 303.314 3.077 10 30 DGEERN C=C(C)[C@H]1CC=C(COC(=O)Cn2c(C)c(C)sc2=O)CC1 ZINC000177693852 655940070 /nfs/dbraw/zinc/94/00/70/655940070.db2.gz VAAFFJYPWVOSAX-HNNXBMFYSA-N 0 0 321.442 3.372 10 30 DGEERN C#CC[C@H](OC(=O)CCc1ccc(OC)c(OC)c1)C(C)C ZINC000177739331 655944319 /nfs/dbraw/zinc/94/43/19/655944319.db2.gz IAZWLIHARYGBEI-HNNXBMFYSA-N 0 0 304.386 3.228 10 30 DGEERN COCCC1(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)CCC1 ZINC000177878566 655948767 /nfs/dbraw/zinc/94/87/67/655948767.db2.gz BBOOVSAQFOPQNG-HNNXBMFYSA-N 0 0 319.376 3.258 10 30 DGEERN C#CC[C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)C(C)C ZINC000177936773 655950215 /nfs/dbraw/zinc/95/02/15/655950215.db2.gz VVEPUUXSGSYEHX-CQSZACIVSA-N 0 0 304.390 3.251 10 30 DGEERN COCCC1(C(=O)OC[C@@H](C#N)Cc2ccccc2)CCC1 ZINC000177943120 655950682 /nfs/dbraw/zinc/95/06/82/655950682.db2.gz PQYTZRZPDCZHRQ-MRXNPFEDSA-N 0 0 301.386 3.119 10 30 DGEERN C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)C1CCCC1 ZINC000178156476 655956351 /nfs/dbraw/zinc/95/63/51/655956351.db2.gz ATWODVKVIDZNQZ-NSHDSACASA-N 0 0 305.353 3.428 10 30 DGEERN C[C@@]1(C(=O)NCc2nc3c(s2)CCCC3)CCC(=O)NC1 ZINC000328688279 656075342 /nfs/dbraw/zinc/07/53/42/656075342.db2.gz ZTPHXWPSBMSLBM-OAHLLOKOSA-N 0 0 307.419 3.235 10 30 DGEERN Cc1nc(NCCCNC(=O)OC(C)(C)C)c(Cl)cc1C#N ZINC000309856444 656084332 /nfs/dbraw/zinc/08/43/32/656084332.db2.gz LGVDSKADTMBISI-UHFFFAOYSA-N 0 0 324.812 3.242 10 30 DGEERN CCOc1cccnc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000182144715 656103336 /nfs/dbraw/zinc/10/33/36/656103336.db2.gz PGLOMAJSNVHNFZ-GFCCVEGCSA-N 0 0 311.341 3.023 10 30 DGEERN N#CC1(c2ccc(C(=O)OCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000182343822 656104905 /nfs/dbraw/zinc/10/49/05/656104905.db2.gz UREHIGXGYGQPLO-UHFFFAOYSA-N 0 0 317.348 3.475 10 30 DGEERN N#CC1(COC(=O)CSC[C@H]2CCCCO2)CCCCC1 ZINC000183678142 656113957 /nfs/dbraw/zinc/11/39/57/656113957.db2.gz CPJIOAIXDKAGCG-CQSZACIVSA-N 0 0 311.447 3.306 10 30 DGEERN C=CCOc1ccccc1CNc1ccc(-n2nccn2)cc1 ZINC000236678482 656114699 /nfs/dbraw/zinc/11/46/99/656114699.db2.gz PWNGUZPVKVBCLU-UHFFFAOYSA-N 0 0 306.369 3.444 10 30 DGEERN C[C@H]1CCc2sc(C(=O)OCC3(C#N)CCOCC3)cc2C1 ZINC000183910922 656115915 /nfs/dbraw/zinc/11/59/15/656115915.db2.gz XZDINIDRTXTRBR-LBPRGKRZSA-N 0 0 319.426 3.350 10 30 DGEERN C#C[C@@H](C)OC(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC000162359180 656135388 /nfs/dbraw/zinc/13/53/88/656135388.db2.gz DPNLGWLPCSEHME-MRXNPFEDSA-N 0 0 324.376 3.252 10 30 DGEERN C[C@@H](C(=O)OCC(C)(C)CCC#N)N1CCc2ccccc2C1 ZINC000195055507 656208502 /nfs/dbraw/zinc/20/85/02/656208502.db2.gz UGKNKWGJOPDIQV-HNNXBMFYSA-N 0 0 314.429 3.306 10 30 DGEERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCC(C)(C)CCC#N)C1 ZINC000195088779 656208976 /nfs/dbraw/zinc/20/89/76/656208976.db2.gz QHCKJOFJGLMGTD-CABCVRRESA-N 0 0 322.449 3.144 10 30 DGEERN CCCCCCCS(=O)(=O)N[C@H](C)c1ccncc1OC ZINC000195465999 656212307 /nfs/dbraw/zinc/21/23/07/656212307.db2.gz FBYVMANIZYACLD-CYBMUJFWSA-N 0 0 314.451 3.041 10 30 DGEERN CCOc1cc2c(cc1/C=C/C(=O)OCCCC#N)O[C@H](C)C2 ZINC000053908604 656448850 /nfs/dbraw/zinc/44/88/50/656448850.db2.gz HUWLUSCPZXIZFV-KTRBRXNASA-N 0 0 315.369 3.269 10 30 DGEERN N#Cc1ccc(-c2nc(-c3sccc3Br)no2)[nH]1 ZINC000723211475 656489685 /nfs/dbraw/zinc/48/96/85/656489685.db2.gz SHPVJVLVJMMCHN-UHFFFAOYSA-N 0 0 321.159 3.427 10 30 DGEERN C#CC[C@@H](OC(=O)CCC(=O)c1ccc(OC)cc1)C(C)C ZINC000183023553 657375957 /nfs/dbraw/zinc/37/59/57/657375957.db2.gz JPXPODBSGBNSPZ-QGZVFWFLSA-N 0 0 302.370 3.249 10 30 DGEERN C=CCC[C@H](C)OC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000183632980 657380373 /nfs/dbraw/zinc/38/03/73/657380373.db2.gz JOWNIGSMWVSIJW-RRFJBIMHSA-N 0 0 318.417 3.207 10 30 DGEERN CC#CCCCC(=O)O[C@@H](C)c1sc(CCOC)nc1C ZINC000183759444 657381799 /nfs/dbraw/zinc/38/17/99/657381799.db2.gz XHSULUPKDBLSGY-ZDUSSCGKSA-N 0 0 309.431 3.438 10 30 DGEERN C#CCCCCCOC(=O)CCN1C(=O)CCc2ccccc21 ZINC000185323035 657394688 /nfs/dbraw/zinc/39/46/88/657394688.db2.gz XQRNWYGNHGZTHA-UHFFFAOYSA-N 0 0 313.397 3.093 10 30 DGEERN C=CCOc1ccc(C(=O)OCC2(C)CCOCC2)cc1OC ZINC000185533072 657398435 /nfs/dbraw/zinc/39/84/35/657398435.db2.gz METOJBJYVPRCLP-UHFFFAOYSA-N 0 0 320.385 3.234 10 30 DGEERN C#CCN(C(=O)N[C@H]1CCCO[C@@H]1CC(C)C)C1CCCC1 ZINC000186226531 657405960 /nfs/dbraw/zinc/40/59/60/657405960.db2.gz IIWPQCQZBUNPMQ-DLBZAZTESA-N 0 0 306.450 3.168 10 30 DGEERN C=CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000303711985 657557204 /nfs/dbraw/zinc/55/72/04/657557204.db2.gz CSZIVWXOMWFJGJ-MRXNPFEDSA-N 0 0 314.429 3.027 10 30 DGEERN Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 ZINC000128142332 658719868 /nfs/dbraw/zinc/71/98/68/658719868.db2.gz ARLXCYYONKIRLB-KRWDZBQOSA-N 0 0 306.365 3.275 10 30 DGEERN C=CCCO[C@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000067801517 658746465 /nfs/dbraw/zinc/74/64/65/658746465.db2.gz SIDSGMGUZVSZCA-HIFRSBDPSA-N 0 0 305.349 3.032 10 30 DGEERN C[C@@H](C(=O)OCC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000163767260 658897510 /nfs/dbraw/zinc/89/75/10/658897510.db2.gz LLZJLVRMEFBUMV-CYBMUJFWSA-N 0 0 306.789 3.297 10 30 DGEERN C#CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C1CCCC1 ZINC000163861648 658904970 /nfs/dbraw/zinc/90/49/70/658904970.db2.gz SZFKYXMSFRIBQE-ZIAGYGMSSA-N 0 0 303.352 3.473 10 30 DGEERN C#CCN(C(=O)[C@@H](C)OCc1cccc(OC)c1)C1CCCC1 ZINC000164062847 658915345 /nfs/dbraw/zinc/91/53/45/658915345.db2.gz DLHQOUYTTYKQMJ-OAHLLOKOSA-N 0 0 315.413 3.005 10 30 DGEERN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3C=C[C@@H]4C=C[C@@H]2[C@@H]43)cc1 ZINC000222054598 658918753 /nfs/dbraw/zinc/91/87/53/658918753.db2.gz CZFWBMVFBGAHHM-XLTGGDBASA-N 0 0 302.395 3.077 10 30 DGEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000055206820 658919503 /nfs/dbraw/zinc/91/95/03/658919503.db2.gz BSMPFNHLWPETDC-CQSZACIVSA-N 0 0 310.438 3.058 10 30 DGEERN C=C(C)CNC(=S)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000044858610 658927489 /nfs/dbraw/zinc/92/74/89/658927489.db2.gz IQPNGAKYLBOUEP-HNNXBMFYSA-N 0 0 306.431 3.107 10 30 DGEERN COc1ccccc1[C@H](O)C/N=C/c1cc(Cl)ccc1O ZINC000032070522 658951696 /nfs/dbraw/zinc/95/16/96/658951696.db2.gz YLBDAQKDUZYKBY-QANDDYDISA-N 0 0 305.761 3.207 10 30 DGEERN N#Cc1cnc2c(Cl)cccc2c1NCCCn1ccnc1 ZINC000223156109 658966991 /nfs/dbraw/zinc/96/69/91/658966991.db2.gz NLRCNAZDQXCDEU-UHFFFAOYSA-N 0 0 311.776 3.459 10 30 DGEERN CC(=O)c1cccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000045885194 659054067 /nfs/dbraw/zinc/05/40/67/659054067.db2.gz OILMAJPQUUFFQP-CYBMUJFWSA-N 0 0 309.321 3.134 10 30 DGEERN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC1 ZINC000157754255 659096178 /nfs/dbraw/zinc/09/61/78/659096178.db2.gz AGHVKOXQYZUKDW-UHFFFAOYSA-N 0 0 300.145 3.111 10 30 DGEERN Cc1cc(C)n([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n1 ZINC000171027545 659255165 /nfs/dbraw/zinc/25/51/65/659255165.db2.gz HNBSFPIBTIOCHV-INIZCTEOSA-N 0 0 310.401 3.316 10 30 DGEERN CC(C)(C(=O)NCc1ccc(OCC#N)cc1)c1cccs1 ZINC000172211492 659324211 /nfs/dbraw/zinc/32/42/11/659324211.db2.gz YYQGEQAGPFOUHK-UHFFFAOYSA-N 0 0 314.410 3.244 10 30 DGEERN C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000172722245 659351621 /nfs/dbraw/zinc/35/16/21/659351621.db2.gz VBFIXRZTTCTSRD-IAGOWNOFSA-N 0 0 319.360 3.181 10 30 DGEERN N#Cc1ccc2ncc(/C=C3/CCc4c(O)cccc4C3=O)n2c1 ZINC000172819213 659358091 /nfs/dbraw/zinc/35/80/91/659358091.db2.gz JOWABDAPLWWBIH-JYRVWZFOSA-N 0 0 315.332 3.124 10 30 DGEERN C#CCOc1ccc(F)cc1NCC(=O)Nc1cccc(C)c1 ZINC000172924411 659363418 /nfs/dbraw/zinc/36/34/18/659363418.db2.gz PPJSUPSXWBDTOQ-UHFFFAOYSA-N 0 0 312.344 3.197 10 30 DGEERN C=CCOc1ccc(OC(=O)[C@H](C)n2nc(C)cc2C)cc1 ZINC000173525170 659391291 /nfs/dbraw/zinc/39/12/91/659391291.db2.gz JKCMFMVKZKNTSF-AWEZNQCLSA-N 0 0 300.358 3.231 10 30 DGEERN C/C(=C\C(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173906932 659405352 /nfs/dbraw/zinc/40/53/52/659405352.db2.gz GNQILSDDWFPBTP-FYWRMAATSA-N 0 0 306.365 3.157 10 30 DGEERN C#C[C@@H](C)OC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000174443889 659434085 /nfs/dbraw/zinc/43/40/85/659434085.db2.gz XEJZEBAJEZQFNH-ZJUUUORDSA-N 0 0 313.216 3.495 10 30 DGEERN C[C@H](CCNc1ccc(F)cc1C#N)NC(=O)OC(C)(C)C ZINC000174713018 659525706 /nfs/dbraw/zinc/52/57/06/659525706.db2.gz AMKTUXIMNAUCKD-LLVKDONJSA-N 0 0 307.369 3.413 10 30 DGEERN Cn1cc(C#N)cc1C(=O)OCc1cccc(Br)c1 ZINC000175568081 659926186 /nfs/dbraw/zinc/92/61/86/659926186.db2.gz DMBGAIIXVFHNAY-UHFFFAOYSA-N 0 0 319.158 3.016 10 30 DGEERN O=C(OCC#Cc1ccccc1)c1cnc(-c2ccncc2)s1 ZINC000179458231 659929367 /nfs/dbraw/zinc/92/93/67/659929367.db2.gz CHXGDRPUPVMPPG-UHFFFAOYSA-N 0 0 320.373 3.414 10 30 DGEERN C#CCOc1ccc(CNc2c[nH]nc2-c2ccccn2)cc1 ZINC000180055213 659950331 /nfs/dbraw/zinc/95/03/31/659950331.db2.gz WYIIRMFLNYDAPW-UHFFFAOYSA-N 0 0 304.353 3.096 10 30 DGEERN CC(=O)c1cccc(OCCCC(=O)OCC(C)(C)C#N)c1 ZINC000180170863 659954023 /nfs/dbraw/zinc/95/40/23/659954023.db2.gz JEJCHBUBQYAGAR-UHFFFAOYSA-N 0 0 303.358 3.141 10 30 DGEERN CC(=O)c1cccc(O[C@@H](C)C(=O)OCC#Cc2ccccc2)c1 ZINC000068902408 659968013 /nfs/dbraw/zinc/96/80/13/659968013.db2.gz CLGJONMSSWQBPY-INIZCTEOSA-N 0 0 322.360 3.251 10 30 DGEERN C=C[C@H](CC)OC(=O)c1cccc(OCc2noc(C)n2)c1 ZINC000181248450 659989440 /nfs/dbraw/zinc/98/94/40/659989440.db2.gz DCOIURLSRDBQDI-CYBMUJFWSA-N 0 0 302.330 3.078 10 30 DGEERN CCCN(CCC)C(=O)c1cccc(C(=O)OC(C)(C)C#N)c1 ZINC000181818441 660021250 /nfs/dbraw/zinc/02/12/50/660021250.db2.gz XPNAMGCKULBTGI-UHFFFAOYSA-N 0 0 316.401 3.408 10 30 DGEERN C=CCc1ccccc1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000069837180 660024746 /nfs/dbraw/zinc/02/47/46/660024746.db2.gz RZAOGZJAIXXMRU-UHFFFAOYSA-N 0 0 313.309 3.308 10 30 DGEERN C=CCOCCCC(=O)Oc1cc2cnccc2cc1OC ZINC000182313627 660042250 /nfs/dbraw/zinc/04/22/50/660042250.db2.gz KKAAMWHZDKNMAL-UHFFFAOYSA-N 0 0 301.342 3.132 10 30 DGEERN C#C[C@@H](OC(=O)CCCOc1ccc(C(C)=O)cc1)C1CC1 ZINC000183096522 660101538 /nfs/dbraw/zinc/10/15/38/660101538.db2.gz UWJPHIRSQGJXFT-QGZVFWFLSA-N 0 0 300.354 3.003 10 30 DGEERN C=CCC[C@@H](OC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C1CC1 ZINC000183692852 660130985 /nfs/dbraw/zinc/13/09/85/660130985.db2.gz MLBCZQRUDQDTIV-HZPDHXFCSA-N 0 0 317.385 3.151 10 30 DGEERN CCOc1ccc(OCC(=O)OCC2(C#N)CCCC2)cc1 ZINC000183882447 660145419 /nfs/dbraw/zinc/14/54/19/660145419.db2.gz JBBBCQIYGVMJHC-UHFFFAOYSA-N 0 0 303.358 3.091 10 30 DGEERN Cc1ccccc1OCCCC(=O)OCC1(C#N)CCOCC1 ZINC000183920715 660147891 /nfs/dbraw/zinc/14/78/91/660147891.db2.gz OHQCCPVHYGCZSX-UHFFFAOYSA-N 0 0 317.385 3.018 10 30 DGEERN N#CC1(COC(=O)c2cccc(-c3ccoc3)c2)CCOCC1 ZINC000183993899 660151796 /nfs/dbraw/zinc/15/17/96/660151796.db2.gz GHRJDUUENHMWEJ-UHFFFAOYSA-N 0 0 311.337 3.424 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1noc2c1CCCCC2 ZINC000187510863 661733580 /nfs/dbraw/zinc/73/35/80/661733580.db2.gz BWBYAWMUJFHUPM-KRWDZBQOSA-N 0 0 307.390 3.329 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)O[C@H](C)C1CCOCC1 ZINC000156136446 661858871 /nfs/dbraw/zinc/85/88/71/661858871.db2.gz UOHLSSXXTIUEIK-CYBMUJFWSA-N 0 0 320.385 3.232 10 30 DGEERN C=CCOc1cc(OC)ccc1C(=O)OC1CCC(OC)CC1 ZINC000156150394 661859099 /nfs/dbraw/zinc/85/90/99/661859099.db2.gz OUSPZAJPNNVHIW-UHFFFAOYSA-N 0 0 320.385 3.374 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(N2CCCC2)nc1 ZINC000187556179 661887279 /nfs/dbraw/zinc/88/72/79/661887279.db2.gz UAVRUQXGXKOJKL-SFHVURJKSA-N 0 0 318.417 3.067 10 30 DGEERN C=C[C@@](C)(CCOC)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187556422 661887555 /nfs/dbraw/zinc/88/75/55/661887555.db2.gz ZSSBNVGIEOHWQU-INIZCTEOSA-N 0 0 307.346 3.289 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000187563071 661888719 /nfs/dbraw/zinc/88/87/19/661888719.db2.gz UNFKCLWVLQPXRY-QGZVFWFLSA-N 0 0 308.422 3.332 10 30 DGEERN C=CCC[C@@H](OC(=O)C[C@H](C)NC(=O)c1ccccc1)C1CC1 ZINC000159634242 661891803 /nfs/dbraw/zinc/89/18/03/661891803.db2.gz TXYOVZWLGOXBNL-WMLDXEAASA-N 0 0 315.413 3.483 10 30 DGEERN C#CC[C@@H](OC(=O)c1ccc(N2CCCC2)nc1)C(C)(C)C ZINC000159728900 661894377 /nfs/dbraw/zinc/89/43/77/661894377.db2.gz TWASWSDASMTGCJ-OAHLLOKOSA-N 0 0 300.402 3.277 10 30 DGEERN N#C[C@H](C(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 ZINC000048789668 661895716 /nfs/dbraw/zinc/89/57/16/661895716.db2.gz BOCYVWJGALEVBS-MRXNPFEDSA-N 0 0 315.376 3.471 10 30 DGEERN C=C[C@](C)(CCOC)COC(=O)C[C@@H]1OCCc2ccccc21 ZINC000187566627 661898916 /nfs/dbraw/zinc/89/89/16/661898916.db2.gz IZNYHRCDQPFXDE-PKOBYXMFSA-N 0 0 318.413 3.463 10 30 DGEERN Cc1cc(C#N)ccc1C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000159981471 661899018 /nfs/dbraw/zinc/89/90/18/661899018.db2.gz LVUOOAKLQFPWJX-UHFFFAOYSA-N 0 0 305.289 3.192 10 30 DGEERN C=C(CSc1ncnc2sc3c(c21)CCC3)C(=O)OCC ZINC000187660285 661902258 /nfs/dbraw/zinc/90/22/58/661902258.db2.gz XAWIWMLYWKTCHX-UHFFFAOYSA-N 0 0 320.439 3.391 10 30 DGEERN CC[C@@H](CC#N)OC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000187944289 661908733 /nfs/dbraw/zinc/90/87/33/661908733.db2.gz RNJYEPKLPGWEJE-LBPRGKRZSA-N 0 0 315.291 3.406 10 30 DGEERN CC[C@@H](CC#N)OC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000187946224 661908793 /nfs/dbraw/zinc/90/87/93/661908793.db2.gz TWWOLAWWUFGHLK-ZDUSSCGKSA-N 0 0 323.339 3.248 10 30 DGEERN CC[C@@H](CC#N)OC(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000188005452 661911136 /nfs/dbraw/zinc/91/11/36/661911136.db2.gz AMCXEPGILMYPEA-AWEZNQCLSA-N 0 0 303.358 3.491 10 30 DGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000075398626 661928371 /nfs/dbraw/zinc/92/83/71/661928371.db2.gz XLXHEPIUMBBJDY-GJZGRUSLSA-N 0 0 306.192 3.192 10 30 DGEERN C=CC[C@@]1(C(=O)N(CC)CC)CCCN1C(=O)OC(C)(C)C ZINC000190281196 662026134 /nfs/dbraw/zinc/02/61/34/662026134.db2.gz GICFTYONIPCZTF-KRWDZBQOSA-N 0 0 310.438 3.201 10 30 DGEERN C=C[C@@](C)(CCOC)C(=O)Oc1ccc([C@H]2CCOC2)cc1 ZINC000191118931 662054551 /nfs/dbraw/zinc/05/45/51/662054551.db2.gz JFSYIPLHTZGLGA-YJBOKZPZSA-N 0 0 304.386 3.325 10 30 DGEERN C=CC[C@]1(C(=O)N[C@H](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000191132243 662055114 /nfs/dbraw/zinc/05/51/14/662055114.db2.gz UUEPQWVXAMXBCS-FZKQIMNGSA-N 0 0 322.449 3.247 10 30 DGEERN C=CCC1(C(=O)Oc2cc(C(=O)N(C)C)ccc2C)CCC1 ZINC000192201526 662091564 /nfs/dbraw/zinc/09/15/64/662091564.db2.gz ZJMOYHFICRWXFO-UHFFFAOYSA-N 0 0 301.386 3.349 10 30 DGEERN C#CC[C@@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C(C)C ZINC000192241947 662092936 /nfs/dbraw/zinc/09/29/36/662092936.db2.gz DFVLVZYDZHAJHH-SNVBAGLBSA-N 0 0 316.266 3.182 10 30 DGEERN C#CC[C@H](OC(=O)c1cc(Cl)nc(N2CCCC2)c1)C1CC1 ZINC000079206817 662103575 /nfs/dbraw/zinc/10/35/75/662103575.db2.gz SCEUIYNAYJIHAT-AWEZNQCLSA-N 0 0 318.804 3.294 10 30 DGEERN C#CC[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079205176 662103583 /nfs/dbraw/zinc/10/35/83/662103583.db2.gz HTOHLJPGVXLNCB-NHYWBVRUSA-N 0 0 319.382 3.421 10 30 DGEERN C#CC[C@H](OC(=O)COc1ccc(CC=C)cc1OC)C1CC1 ZINC000079207778 662103707 /nfs/dbraw/zinc/10/37/07/662103707.db2.gz DNIRUHYDVFDCGB-INIZCTEOSA-N 0 0 314.381 3.148 10 30 DGEERN C#CC[C@@H](OC(=O)[C@H](C)CC(=O)c1cccc(F)c1)C1CC1 ZINC000079209162 662104008 /nfs/dbraw/zinc/10/40/08/662104008.db2.gz NNJCLYFKLCCQMZ-SJKOYZFVSA-N 0 0 302.345 3.380 10 30 DGEERN C=CCc1cc(C(=O)OC[C@H]2C[C@@H]2OCC)cc(OC)c1OC ZINC000193127278 662123658 /nfs/dbraw/zinc/12/36/58/662123658.db2.gz MCISCTYMZYYRTM-CABCVRRESA-N 0 0 320.385 3.014 10 30 DGEERN CCCCCNC(=O)C(C#N)=C(O)C=Cc1ccccc1Cl ZINC000193368986 662131900 /nfs/dbraw/zinc/13/19/00/662131900.db2.gz VAXGCXQMNCZIEH-ATWMFIQVSA-N 0 0 318.804 3.368 10 30 DGEERN COc1ccc(C(=O)CCCC(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000080382958 662138723 /nfs/dbraw/zinc/13/87/23/662138723.db2.gz UERJVFWRFJOXFP-INIZCTEOSA-N 0 0 303.358 3.140 10 30 DGEERN N#C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C1CC1 ZINC000080412762 662141097 /nfs/dbraw/zinc/14/10/97/662141097.db2.gz PKECGLPFKJINRB-GOSISDBHSA-N 0 0 311.381 3.374 10 30 DGEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1N1CCCC1 ZINC000080974984 662156998 /nfs/dbraw/zinc/15/69/98/662156998.db2.gz KGTQZKKBXZPMMX-UHFFFAOYSA-N 0 0 308.385 3.058 10 30 DGEERN Cc1cc(C)c(C#N)c(NCC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000194979790 662176691 /nfs/dbraw/zinc/17/66/91/662176691.db2.gz IRFKPHYDLUGXDX-GFCCVEGCSA-N 0 0 318.421 3.285 10 30 DGEERN CCCCO[C@@H]1C[C@H](OC(=O)c2cc(C#N)cn2C)C1(C)C ZINC000083780578 662196603 /nfs/dbraw/zinc/19/66/03/662196603.db2.gz FXXFIAKRTXOJBT-CABCVRRESA-N 0 0 304.390 3.037 10 30 DGEERN C=CCc1cc(C(=O)OCC2(CC)COC2)cc(OC)c1OC ZINC000084851645 662204479 /nfs/dbraw/zinc/20/44/79/662204479.db2.gz NEJJLUQLZWBFCP-UHFFFAOYSA-N 0 0 320.385 3.016 10 30 DGEERN C[C@@H]1C[C@H](CC(=O)[C@H](C#N)C(=O)N2CCCC2)CC(C)(C)C1 ZINC000245402627 662232347 /nfs/dbraw/zinc/23/23/47/662232347.db2.gz IUHBRGKCZZRHBH-KFWWJZLASA-N 0 0 304.434 3.170 10 30 DGEERN CCN(C[C@H](C)C#N)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245611886 662237147 /nfs/dbraw/zinc/23/71/47/662237147.db2.gz LOCCRKIQJJIGQK-DOMZBBRYSA-N 0 0 305.809 3.315 10 30 DGEERN CC(C)CCO[C@@H](C)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089297326 662240912 /nfs/dbraw/zinc/24/09/12/662240912.db2.gz GIWAIJPLEQRMJA-KBPBESRZSA-N 0 0 309.431 3.425 10 30 DGEERN C=CCC[C@@H](C)OC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000089317783 662241882 /nfs/dbraw/zinc/24/18/82/662241882.db2.gz CYWLXMJVEYFCFV-CYBMUJFWSA-N 0 0 307.365 3.234 10 30 DGEERN Cc1nc2cc(NC(=O)Cc3cccc(OCC#N)c3)ccc2o1 ZINC000089648556 662246046 /nfs/dbraw/zinc/24/60/46/662246046.db2.gz GMIXNNWNSMBKAO-UHFFFAOYSA-N 0 0 321.336 3.220 10 30 DGEERN C#CC[C@@H](OC(=O)CCCc1nc(C2CC2)no1)C(C)(C)C ZINC000159839175 685099014 /nfs/dbraw/zinc/09/90/14/685099014.db2.gz ZRTRRTLYYMCDCK-CYBMUJFWSA-N 0 0 304.390 3.251 10 30 DGEERN C#C[C@H](C)OC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000174434983 685106046 /nfs/dbraw/zinc/10/60/46/685106046.db2.gz FCSICOPIWSIYQD-QWRGUYRKSA-N 0 0 311.175 3.090 10 30 DGEERN COc1ccccc1[C@H](O)CN=Cc1cc2ccccc2[nH]c1=O ZINC000255618415 685121595 /nfs/dbraw/zinc/12/15/95/685121595.db2.gz RPIDLLYXXLDNOQ-LELXDKESSA-N 0 0 322.364 3.102 10 30 DGEERN C=CCCCCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000391457988 685210995 /nfs/dbraw/zinc/21/09/95/685210995.db2.gz ZQKBQBORIZELOH-UHFFFAOYSA-N 0 0 319.361 3.474 10 30 DGEERN C=CCC1(C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CCCCC1 ZINC000450048034 1176216092 /nfs/dbraw/zinc/21/60/92/1176216092.db2.gz NHABKPGKIPRXGR-CQSZACIVSA-N 0 0 302.422 3.037 10 30 DGEERN N#Cc1ccc(OCc2cncc(Br)c2)c(F)c1 ZINC000225304501 1177156703 /nfs/dbraw/zinc/15/67/03/1177156703.db2.gz AHFLTHYYQDXTMZ-UHFFFAOYSA-N 0 0 307.122 3.434 10 30 DGEERN C=C[C@](C)(O)CC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000354817377 1178063643 /nfs/dbraw/zinc/06/36/43/1178063643.db2.gz DRSLSYUXEOHVFI-KRWDZBQOSA-N 0 0 305.805 3.283 10 30 DGEERN CN1c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2C(C)(C)C1=O ZINC000074954301 1196330677 /nfs/dbraw/zinc/33/06/77/1196330677.db2.gz DBFSIKQLNMUBHJ-UHFFFAOYSA-N 0 0 319.364 3.065 10 30 DGEERN CC[C@](C)(C#N)NC(=O)c1cc(C)c(Br)s1 ZINC000081728463 1197244806 /nfs/dbraw/zinc/24/48/06/1197244806.db2.gz QWXQNZDCXZBUTC-LLVKDONJSA-N 0 0 301.209 3.241 10 30 DGEERN C=C[C@H](C)ONC(=O)c1cc(Cl)ccc1Br ZINC000400946905 1199375796 /nfs/dbraw/zinc/37/57/96/1199375796.db2.gz SDXWAOHTKXIXBG-ZETCQYMHSA-N 0 0 304.571 3.338 10 30 DGEERN C=CCNC(=O)Nc1ccc(NCc2cnc(C)s2)cc1 ZINC000114767365 1199716418 /nfs/dbraw/zinc/71/64/18/1199716418.db2.gz AAZQDIWLOHIZII-UHFFFAOYSA-N 0 0 302.403 3.371 10 30 DGEERN C=C(CC)CNS(=O)(=O)c1cc(Br)sc1C ZINC000313482901 1199767330 /nfs/dbraw/zinc/76/73/30/1199767330.db2.gz MZGHBGZQBHSVAG-UHFFFAOYSA-N 0 0 324.265 3.064 10 30 DGEERN N#Cc1cccc(Oc2cncc(Br)c2)c1[N+](=O)[O-] ZINC000125824709 1200464145 /nfs/dbraw/zinc/46/41/45/1200464145.db2.gz AGYZQVRZNIZYKZ-UHFFFAOYSA-N 0 0 320.102 3.416 10 30 DGEERN C[C@@H](Nc1ccc(C#N)c(Br)c1F)c1cn[nH]c1 ZINC000229731218 1202596711 /nfs/dbraw/zinc/59/67/11/1202596711.db2.gz LZPFFUUOYMYULI-SSDOTTSWSA-N 0 0 309.142 3.356 10 30 DGEERN CC(C)[C@H](CCO)Nc1ccc(C#N)c(Br)c1F ZINC000231084748 1202598842 /nfs/dbraw/zinc/59/88/42/1202598842.db2.gz FAXDBLGHNXHYCC-JTQLQIEISA-N 0 0 315.186 3.279 10 30 DGEERN CCn1cc(CNc2cc(Br)ccc2C#N)cn1 ZINC000234210833 1202603421 /nfs/dbraw/zinc/60/34/21/1202603421.db2.gz BIIGUUAVQNIQQI-UHFFFAOYSA-N 0 0 305.179 3.149 10 30 DGEERN C#CCN(CC1CC1)C(=O)c1cccc(Br)c1F ZINC000236235573 1202605489 /nfs/dbraw/zinc/60/54/89/1202605489.db2.gz HPSBJJLUUYIIEJ-UHFFFAOYSA-N 0 0 310.166 3.074 10 30 DGEERN C=CCOc1ccc(OC(=O)c2cc(C)nc3c2cnn3C)cc1 ZINC000177906003 1203983634 /nfs/dbraw/zinc/98/36/34/1203983634.db2.gz TZHBOGIESOPTKR-UHFFFAOYSA-N 0 0 323.352 3.061 10 30 DGEERN Cc1noc([C@H](NC(=O)Nc2cccc(C#N)c2C)C(C)C)n1 ZINC000178573167 1204166844 /nfs/dbraw/zinc/16/68/44/1204166844.db2.gz IQWVJGKMLGPEFT-CQSZACIVSA-N 0 0 313.361 3.077 10 30 DGEERN C/C=C/c1ccc(OCC(=O)O[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000179885508 1204324498 /nfs/dbraw/zinc/32/44/98/1204324498.db2.gz QTHQWLOQIKRHNW-LRPXVYOUSA-N 0 0 315.369 3.343 10 30 DGEERN C=C(C)CN(C)C(=O)c1nc(CCC)n(-c2ccccc2F)n1 ZINC000180412295 1204331120 /nfs/dbraw/zinc/33/11/20/1204331120.db2.gz KODIJGHMNRLHSI-UHFFFAOYSA-N 0 0 316.380 3.007 10 30 DGEERN Cn1ccnc1[C@H](NCCCCC#N)c1ccccc1Cl ZINC000180640350 1204332934 /nfs/dbraw/zinc/33/29/34/1204332934.db2.gz HCQLBKSJMLAFAO-OAHLLOKOSA-N 0 0 302.809 3.446 10 30 DGEERN